A0A087Y7Y9_POEFO Loading...

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.

AlphaFold DB , UniProt , Accession A0A087Y7Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 842 aa.

						>A0A087Y7Y9_POEFO|A0A087Y7Y9
MAKPLTDHDRRKQISVRGLAGVENVADLKTNFNRHLHFTLVKDRNVATKRDYYFALANTVRDHLVGRWIRTQQHYYDKDPKRVYYLSLEFYMGRTLQNTMVNLGLENACDEATYQLGLDMEELQDIEEDAGLGNGGLGRLAACFLDSMASLGLAAYGYGIRYEFGIFNQKIINGWQVEEADDWLRYGNPWEKARPEYMRPVHFYGRVEHTCEGVKWVDTQVVLALPYDTPVPGYRNNIVNTMRLWSAKAPCEFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKASKFGSTEFVRLDLSKMPDKVAIQLNDTHPALAIPELMRILVDIEKLEWEKAWDIVIRTCAYTNHTVLPEALERWPVDLFQNLLPRHLEIIYEINRRHLERISTVYPGDHDRLRRMSLIEEGNVKKINMAHLCIVGSHAVNGVARIHSEIIKNTVFKDFYDLDPQKFQNKTNGITPRRWLVMCNPGLAEVIAERIGEDYIRDLDQLKKLLDFVNDDAFIRDVAKIKQENKLKFAAHLEEHYKVKINPNSMFDVQVKRIHEYKRQLLNCLHIITFYNRIKNEPNKLWTPRTIMIGGKAAPGYHTAKMIIRLITAIGDVVNNDPVVGDRLKVIFLENYRVTLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENLFIFGMRVEDVEAMDKKGYDAICYYNRIPELKQAMDQISAGFFSPGEPELFKDLVNMLMHHDRFKVFADYEDYIKCQEKVNALYKNPKEWTKKVIHNIAGCGKFSSDRTISQYAREIWGMEPSLEKIAAPDDPR
					

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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	34.2	Very low	40.6	Very low	242 Å²	242	140.3 Å²	140.3	100%	1.192	70%	0.703	S	S	*	*				0	113.2	0	-66.1	-179.3	-157.3	0	0	107.2
2	A	33.1	Very low	40.8	Very low	102 Å²	102	141 Å²	141	84%	0.843	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-65.5	140	174.2	0	0	0	0	0	109
3	K	35.1	Very low	41.6	Very low	200 Å²	200	136 Å²	136	87%	0.87	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-55.8	137.5	176.4	-93	-179.8	172.9	179	0	109.7	L5	K3-L5 PolarHBondContact O-N 2.85Å
4	P	40.9	Very low	42.8	Very low	116 Å²	116	128.9 Å²	128.9	75%	0.753	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.9	131.2	170.6	25.1	-29.7	0	0	0	109.2
5	L	43.1	Very low	44.4	Very low	112 Å²	112	124 Å²	124	59%	0.586	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.4	144	176.2	-71.8	165.6	0	0	0	110.4	K3 D9	K3-L5 PolarHBondContact O-N 2.85Å; L5-D9 HydrophobicContact CB-CB 3.97Å; L5-D9 HydrophobicContact CD2-CB 3.93Å; L5-D9 HydrophobicContact CG-CB 4.45Å
6	T	55.6	Low	45	Very low	82 Å²	82	116.5 Å²	116.5	50%	0.503	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-70.4	159	178	66	0	0	0	0	110.9	H8 D9 R10	T6-H8 PolarHBondContact O-N 2.64Å; T6-H8 VanDerWaalsContact O-N 3.12Å; T6-D9 PolarHBondContact N-OD2 3.2Å; T6-D9 WeakPolarHBondContact O-CA 3.3Å; T6-D9 WeakPolarHBondContact O-CB 3.34Å; T6-D9 PolarHBondContact O-N 3.31Å; T6-D9 PolarHBondContact OG1-N 3.44Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; T6-R10 PolarHBondContact O-N 3.46Å
7	D	38.8	Very low	46.1	Very low	108 Å²	108	111.8 Å²	111.8	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-60.2	-21.9	175.3	-83.1	-14	0	0	0	112.9	R10 R11	D7-R10 IonicContact OD1-NH1 2.83Å; D7-R11 WeakPolarHBondContact O-CB 3.32Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.25Å; D7-R11 PolarHBondContact O-N 2.99Å
8	H	37.5	Very low	47.3	Very low	141 Å²	141	106.6 Å²	106.6	65%	0.653	54%	0.536	S	S	*	.	H	α-helix	trans	-69.5	-39.5	169.6	-173.3	-28.4	0	0	0	111.7	T6 R11	T6-H8 PolarHBondContact O-N 2.64Å; T6-H8 VanDerWaalsContact O-N 3.12Å; H8-R11 PolarHBondContact O-N 3.12Å
9	D	42.7	Very low	48.4	Very low	62 Å²	62	109.1 Å²	109.1	33%	0.332	55%	0.551	S	S	.	*	H	α-helix	trans	-73.9	-31.5	177.7	-63.9	-51.8	0	0	0	112.1	L5 T6 R11 K12	L5-D9 HydrophobicContact CB-CB 3.97Å; L5-D9 HydrophobicContact CD2-CB 3.93Å; L5-D9 HydrophobicContact CG-CB 4.45Å; T6-D9 PolarHBondContact N-OD2 3.2Å; T6-D9 WeakPolarHBondContact O-CA 3.3Å; T6-D9 WeakPolarHBondContact O-CB 3.34Å; T6-D9 PolarHBondContact O-N 3.31Å; T6-D9 PolarHBondContact OG1-N 3.44Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; D9-R11 VanDerWaalsContact C-N 3.3Å; D9-K12 PolarHBondContact O-N 3.38Å
10	R	43.3	Very low	49.1	Very low	168 Å²	168	105.5 Å²	105.5	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-67.2	-29.1	170.9	-73.3	177.4	163.9	177	-6.8	113.2	T6 D7 K12	T6-R10 PolarHBondContact O-N 3.46Å; D7-R10 IonicContact OD1-NH1 2.83Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 2.83Å
11	R	42.5	Very low	49.7	Very low	210 Å²	210	101.8 Å²	101.8	79%	0.792	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.4	176.2	-76.9	177.5	-175.4	-173.7	2.5	114.3	D7 H8 D9 Q13	D7-R11 WeakPolarHBondContact O-CB 3.32Å; D7-R11 VanDerWaalsContact O-CG 3.27Å; D7-R11 WeakPolarHBondContact O-CG 3.25Å; D7-R11 PolarHBondContact O-N 2.99Å; H8-R11 PolarHBondContact O-N 3.12Å; D9-R11 VanDerWaalsContact C-N 3.3Å; R11-Q13 PolarHBondContact O-N 2.72Å
12	K	43.1	Very low	50.7	Low	149 Å²	149	96.5 Å²	96.5	65%	0.648	51%	0.508	S	S	*	.			trans	-75.1	28.2	166.5	-73.4	-176.6	176	170	0	113	D9 R10 I14	D9-K12 PolarHBondContact O-N 3.38Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 2.83Å; K12-I14 PolarHBondContact O-N 3.02Å
13	Q	51.3	Low	51.9	Low	76 Å²	76	99.4 Å²	99.4	36%	0.355	50%	0.504	S	S	.	.	S	Bend	trans	-79.2	111.8	159.9	-78.7	-175.4	-7.9	0	0	107.3	R11 S15	R11-Q13 PolarHBondContact O-N 2.72Å; Q13-S15 PolarHBondContact O-N 3Å
14	I	58.3	Low	53.9	Low	36 Å²	36	93.9 Å²	93.9	19%	0.185	48%	0.484	C	S	.	.			trans	-56	124.3	180	-66.6	177.4	0	0	0	109	K12 V16 R17 N107 P498 E502	K12-I14 PolarHBondContact O-N 3.02Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 HydrophobicContact CG2-CB 4.49Å; I14-V16 HydrophobicContact CG2-CG2 3.34Å; I14-V16 PolarHBondContact O-N 2.9Å; I14-R17 HydrophobicContact CB-CG 4.18Å; I14-R17 HydrophobicContact CG2-CG 4.14Å; I14-R17 WeakPolarHBondContact O-CB 3.22Å; I14-R17 PolarHBondContact O-N 2.95Å; I14-N107 PolarHBondContact O-ND2 2.8Å; I14-N107 VanDerWaalsContact O-ND2 3.08Å; I14-P498 HydrophobicContact CD1-CB 4.02Å; I14-E502 HydrophobicContact CG2-CB 3.95Å; I14-E502 HydrophobicContact CG2-CG 4.12Å; I14-E502 WeakPolarHBondContact CG2-OE2 3.49Å
15	S	66.8	Low	56.1	Low	56 Å²	56	88.7 Å²	88.7	39%	0.392	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-62	-37.1	-173	64.9	0	0	0	0	112.5	Q13 R17 G18 E502	Q13-S15 PolarHBondContact O-N 3Å; S15-R17 PolarHBondContact O-N 3.15Å; S15-G18 PolarHBondContact O-N 2.81Å; S15-E502 VanDerWaalsContact CB-OE1 3.3Å; S15-E502 WeakPolarHBondContact CB-OE1 3.49Å; S15-E502 VanDerWaalsContact N-CD 3.35Å; S15-E502 PolarHBondContact N-OE1 3.38Å; S15-E502 VanDerWaalsContact N-OE1 3.07Å; S15-E502 PolarHBondContact N-OE2 3.29Å; S15-E502 PolarHBondContact OG-OE1 3.31Å; S15-E502 PolarHBondContact OG-OE2 3.22Å
16	V	53.8	Low	58.3	Low	4 Å²	4	85.7 Å²	85.7	2%	0.024	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-62.5	-16	-179.8	-63.3	0	0	0	0	114.1	I14 G18 R235 A501 E502 A505 E510 I513	I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 HydrophobicContact CG2-CB 4.49Å; I14-V16 HydrophobicContact CG2-CG2 3.34Å; I14-V16 PolarHBondContact O-N 2.9Å; V16-G18 VanDerWaalsContact C-N 3.35Å; V16-R235 PolarHBondContact O-NH2 3.35Å; V16-A501 HydrophobicContact CG2-CB 4.19Å; V16-E502 PolarHBondContact N-OE2 3.22Å; V16-A505 HydrophobicContact CG1-CB 3.67Å; V16-E510 HydrophobicContact CG1-CG 4.18Å; V16-I513 HydrophobicContact CG1-CD1 4.43Å
17	R	63.3	Low	60	Low	37 Å²	37	86.4 Å²	86.4	14%	0.14	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-84.5	-1.7	178.4	-67.3	-174.5	174.6	-178.2	-3.7	114.4	I14 S15 E106 N107	I14-R17 HydrophobicContact CB-CG 4.18Å; I14-R17 HydrophobicContact CG2-CG 4.14Å; I14-R17 WeakPolarHBondContact O-CB 3.22Å; I14-R17 PolarHBondContact O-N 2.95Å; S15-R17 PolarHBondContact O-N 3.15Å; R17-E106 HydrophobicContact CB-CB 4.26Å; R17-E106 HydrophobicContact CG-CG 4.37Å; R17-E106 IonicContact NE-OE1 3.76Å; R17-N107 HydrophobicContact CB-CB 4.32Å; R17-N107 VanDerWaalsContact CB-ND2 3.32Å; R17-N107 WeakPolarHBondContact CB-ND2 3.43Å; R17-N107 WeakPolarHBondContact CB-OD1 3.45Å; R17-N107 WeakPolarHBondContact CD-OD1 3.18Å; R17-N107 PolarHBondContact O-N 3.27Å
18	G	67.1	Low	62.7	Low	17 Å²	17	81.6 Å²	81.6	18%	0.175	42%	0.416	C	S	.	.			trans	92.9	-176.2	174.6	0	0	0	0	0	114.8	S15 V16 N107	S15-G18 PolarHBondContact O-N 2.81Å; V16-G18 VanDerWaalsContact C-N 3.35Å; G18-N107 PolarHBondContact O-ND2 3.33Å
19	L	69.8	Low	65.4	Low	154 Å²	154	77.5 Å²	77.5	81%	0.806	40%	0.397	S	S	*	.			trans	-95	131.7	-175.5	-64.1	173.1	0	0	0	112	G21	L19-G21 PolarHBondContact O-N 3.28Å
20	A	60.7	Low	68	Low	37 Å²	37	79 Å²	79	31%	0.306	41%	0.408	S	S	.	.			trans	-86.5	76	168.6	0	0	0	0	0	110.8	V25 E111	A20-V25 HydrophobicContact CB-CG2 4.43Å; A20-E111 HydrophobicContact CB-CB 4.46Å
21	G	63.5	Low	70.5	Confident	29 Å²	29	73 Å²	73	30%	0.299	39%	0.389	S	S	.	.			trans	-67.3	138.2	175.2	0	0	0	0	0	112.3	L19 E23 N24 V25	L19-G21 PolarHBondContact O-N 3.28Å; G21-E23 VanDerWaalsContact C-N 3.32Å; G21-E23 PolarHBondContact O-N 3.2Å; G21-N24 PolarHBondContact O-N 3.06Å; G21-V25 WeakPolarHBondContact O-CG2 3.37Å; G21-V25 PolarHBondContact O-N 3.31Å
22	V	53.4	Low	73.1	Confident	131 Å²	131	63.4 Å²	63.4	79%	0.794	35%	0.353	S	S	*	.	H	α-helix	trans	-58.2	-41.4	-175.6	179.3	0	0	0	0	112.4	A26	V22-A26 PolarHBondContact O-N 3.17Å
23	E	59.3	Low	75.7	Confident	163 Å²	163	59.1 Å²	59.1	76%	0.762	34%	0.337	S	S	*	.	H	α-helix	trans	-66.3	-44.9	177.9	-66.9	179.9	165.9	0	0	111.5	G21 V25 A26 D27	G21-E23 VanDerWaalsContact C-N 3.32Å; G21-E23 PolarHBondContact O-N 3.2Å; E23-V25 PolarHBondContact O-N 3.12Å; E23-A26 PolarHBondContact O-N 3.05Å; E23-D27 PolarHBondContact O-N 3.38Å; E23-D27 VanDerWaalsContact O-N 3.12Å
24	N	77.9	Confident	77.9	Confident	83 Å²	83	60.3 Å²	60.3	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-41.8	178.2	-74	-15.3	0	0	0	112.6	G21 D27 L28	G21-N24 PolarHBondContact O-N 3.06Å; N24-D27 PolarHBondContact O-N 3.28Å; N24-L28 WeakPolarHBondContact O-CB 3.35Å; N24-L28 VanDerWaalsContact O-CG 3.24Å; N24-L28 WeakPolarHBondContact O-CG 3.36Å; N24-L28 PolarHBondContact O-N 3.27Å
25	V	87.1	Confident	79.8	Confident	8 Å²	8	59 Å²	59	5%	0.048	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-40.1	-179.3	174.5	0	0	0	0	111.2	A20 G21 E23 K29 E111 A112	A20-V25 HydrophobicContact CB-CG2 4.43Å; G21-V25 WeakPolarHBondContact O-CG2 3.37Å; G21-V25 PolarHBondContact O-N 3.31Å; E23-V25 PolarHBondContact O-N 3.12Å; V25-K29 HydrophobicContact CG1-CD 4.05Å; V25-K29 VanDerWaalsContact O-CG 3.29Å; V25-K29 WeakPolarHBondContact O-CG 3.3Å; V25-K29 PolarHBondContact O-N 3.24Å; V25-K29 VanDerWaalsContact O-N 3.09Å; V25-E111 HydrophobicContact CG1-CG 4.14Å; V25-E111 HydrophobicContact CG2-CB 4.26Å; V25-E111 HydrophobicContact CG2-CG 4.13Å; V25-A112 HydrophobicContact CG1-CB 4.21Å
26	A	89.6	Confident	81.3	Confident	49 Å²	49	56.5 Å²	56.5	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-43	177.3	0	0	0	0	0	112	V22 E23 K29 T30	V22-A26 PolarHBondContact O-N 3.17Å; E23-A26 PolarHBondContact O-N 3.05Å; A26-K29 PolarHBondContact O-N 3.37Å; A26-T30 PolarHBondContact O-N 3.03Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.24Å
27	D	91.2	Very high	83.4	Confident	96 Å²	96	61.6 Å²	61.6	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-41.8	178	-75.8	-12.3	0	0	0	112.2	E23 N24 K29 T30 N31	E23-D27 PolarHBondContact O-N 3.38Å; E23-D27 VanDerWaalsContact O-N 3.12Å; N24-D27 PolarHBondContact O-N 3.28Å; D27-K29 PolarHBondContact O-N 3.4Å; D27-T30 PolarHBondContact O-N 3.19Å; D27-N31 WeakPolarHBondContact O-CB 3.3Å; D27-N31 PolarHBondContact O-N 3.04Å; D27-N31 PolarHBondContact O-ND2 3.07Å
28	L	93.7	Very high	85	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.037	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-44.6	175.7	-75.4	171.1	0	0	0	111.7	N24 T30 N31 F32 T59 A108 A112	N24-L28 WeakPolarHBondContact O-CB 3.35Å; N24-L28 VanDerWaalsContact O-CG 3.24Å; N24-L28 WeakPolarHBondContact O-CG 3.36Å; N24-L28 PolarHBondContact O-N 3.27Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 3.38Å; L28-N31 PolarHBondContact O-N 3.37Å; L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 3.33Å; L28-T59 HydrophobicContact CD2-CG2 3.78Å; L28-A108 HydrophobicContact CD1-CB 3.69Å; L28-A112 HydrophobicContact CB-CB 3.95Å; L28-A112 HydrophobicContact CD1-CB 4.5Å
29	K	95.6	Very high	86.4	Confident	55 Å²	55	69.9 Å²	69.9	24%	0.239	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-39.6	177.3	-71.1	167.4	64.9	-174.6	0	112.1	V25 A26 D27 N33 A112 Q115 L116	V25-K29 HydrophobicContact CG1-CD 4.05Å; V25-K29 VanDerWaalsContact O-CG 3.29Å; V25-K29 WeakPolarHBondContact O-CG 3.3Å; V25-K29 PolarHBondContact O-N 3.24Å; V25-K29 VanDerWaalsContact O-N 3.09Å; A26-K29 PolarHBondContact O-N 3.37Å; D27-K29 PolarHBondContact O-N 3.4Å; K29-N33 PolarHBondContact O-N 2.99Å; K29-N33 VanDerWaalsContact O-N 3.11Å; K29-N33 PolarHBondContact O-ND2 3.2Å; K29-A112 HydrophobicContact CG-CB 3.85Å; K29-Q115 HydrophobicContact CD-CB 4.22Å; K29-L116 HydrophobicContact CG-CD1 4.23Å; K29-L116 HydrophobicContact CG-CG 4.21Å
30	T	96.1	Very high	87.7	Confident	93 Å²	93	64.3 Å²	64.3	57%	0.571	35%	0.347	S	S	*	.	H	α-helix	trans	-65.7	-46.3	178.6	-58.9	0	0	0	0	110.6	A26 D27 L28 N33 R34	A26-T30 PolarHBondContact O-N 3.03Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.24Å; D27-T30 PolarHBondContact O-N 3.19Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 3.38Å; T30-N33 PolarHBondContact O-N 2.88Å; T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 PolarHBondContact O-N 3.35Å
31	N	96.3	Very high	89.5	Confident	44 Å²	44	68.4 Å²	68.4	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-38.3	177.2	-76.4	-57.5	0	0	0	113.2	D27 L28 N33 R34 H35 T59	D27-N31 WeakPolarHBondContact O-CB 3.3Å; D27-N31 PolarHBondContact O-N 3.04Å; D27-N31 PolarHBondContact O-ND2 3.07Å; L28-N31 PolarHBondContact O-N 3.37Å; N31-N33 PolarHBondContact O-N 2.98Å; N31-R34 WeakPolarHBondContact O-CB 3.4Å; N31-R34 PolarHBondContact O-N 3.23Å; N31-R34 PolarHBondContact OD1-NE 3.39Å; N31-R34 PolarHBondContact OD1-NH2 3.06Å; N31-H35 PolarHBondContact O-CD2 2.67Å; N31-H35 VanDerWaalsContact O-CD2 3.25Å; N31-H35 PolarHBondContact O-N 3.26Å; N31-T59 HydrophobicContact CB-CG2 3.8Å
32	F	98	Very high	91.1	Very high	7 Å²	7	70.1 Å²	70.1	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-51.1	173.2	-179.5	-81.8	0	0	0	111.2	L28 R34 H35 L36 Y52 A55 L56 T59 L116 L118	L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 3.33Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 3.02Å; F32-H35 PolarHBondContact O-N 2.89Å; F32-L36 WeakPolarHBondContact O-CB 3.41Å; F32-L36 PolarHBondContact O-N 2.85Å; F32-Y52 AromaticContact CE1-CD1 3.97Å; F32-Y52 HydrophobicContact CE1-CD1 3.97Å; F32-Y52 WeakPolarHBondContact CE2-O 3.29Å; F32-Y52 AromaticContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CG 4.26Å; F32-A55 HydrophobicContact CD1-CB 4.44Å; F32-A55 HydrophobicContact CD2-CB 3.97Å; F32-A55 HydrophobicContact CE1-CB 4.25Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.32Å; F32-A55 HydrophobicContact CZ-CB 3.91Å; F32-L56 HydrophobicContact CD2-CB 4.18Å; F32-L56 HydrophobicContact CE2-CB 3.97Å; F32-T59 VanDerWaalsContact CA-OG1 3.29Å; F32-T59 WeakPolarHBondContact CA-OG1 3.36Å; F32-T59 PolarHBondContact N-OG1 2.85Å; F32-L116 HydrophobicContact CB-CD1 4.26Å; F32-L116 HydrophobicContact CD1-CD1 3.56Å; F32-L116 HydrophobicContact CE1-CD1 3.97Å; F32-L116 HydrophobicContact CG-CD1 3.86Å; F32-L118 HydrophobicContact CE1-CD1 4.17Å; F32-L118 HydrophobicContact CE2-CD1 4.42Å; F32-L118 HydrophobicContact CZ-CD1 3.62Å
33	N	97.1	Very high	93	Very high	60 Å²	60	67.5 Å²	67.5	32%	0.321	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-36	178	-72.4	-50.6	0	0	0	112.2	K29 T30 N31 L36 H37	K29-N33 PolarHBondContact O-N 2.99Å; K29-N33 VanDerWaalsContact O-N 3.11Å; K29-N33 PolarHBondContact O-ND2 3.2Å; T30-N33 PolarHBondContact O-N 2.88Å; N31-N33 PolarHBondContact O-N 2.98Å; N33-L36 PolarHBondContact O-N 3.17Å; N33-H37 WeakPolarHBondContact O-CB 3.44Å; N33-H37 PolarHBondContact O-N 3.34Å
34	R	97.8	Very high	94.6	Very high	100 Å²	100	66 Å²	66	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-48.4	173.5	-178.2	178.3	62.6	94.4	0	111	T30 N31 F32 H37 F38 D62	T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 PolarHBondContact O-N 3.35Å; N31-R34 WeakPolarHBondContact O-CB 3.4Å; N31-R34 PolarHBondContact O-N 3.23Å; N31-R34 PolarHBondContact OD1-NE 3.39Å; N31-R34 PolarHBondContact OD1-NH2 3.06Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 3.02Å; R34-H37 PolarHBondContact O-N 3.03Å; R34-F38 HydrophobicContact CG-CD2 3.8Å; R34-F38 HydrophobicContact CG-CE2 4.36Å; R34-F38 WeakPolarHBondContact O-CB 3.29Å; R34-F38 WeakPolarHBondContact O-CD2 3.47Å; R34-F38 PolarHBondContact O-N 2.9Å; R34-D62 IonicContact CZ-OD2 3.34Å; R34-D62 IonicContact NH2-OD2 3.13Å; R34-D62 PolarHBondContact NH2-OD2 2.94Å
35	H	98.3	Very high	95.4	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.042	35%	0.352	C	S	.	.	I	π-helix	trans	-68.4	-40.1	178.2	-76.6	-63.6	0	0	0	112.7	N31 F32 H37 T39 L40 A55 N58 D62	N31-H35 PolarHBondContact O-CD2 2.67Å; N31-H35 VanDerWaalsContact O-CD2 3.25Å; N31-H35 PolarHBondContact O-N 3.26Å; F32-H35 PolarHBondContact O-N 2.89Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.44Å; H35-T39 PolarHBondContact ND1-OG1 3.01Å; H35-T39 WeakPolarHBondContact O-CA 3.43Å; H35-T39 WeakPolarHBondContact O-CB 3.27Å; H35-T39 PolarHBondContact O-N 3.19Å; H35-L40 PolarHBondContact O-N 3.46Å; H35-A55 HydrophobicContact CB-CB 4.45Å; H35-N58 HydrophobicContact CB-CB 4.26Å; H35-D62 IonicContact CE1-OD2 3.87Å; H35-D62 IonicContact NE2-OD2 3.66Å; H35-D62 PolarHBondContact NE2-OD2 3.45Å; H35-D62 VanDerWaalsContact NE2-OD2 3.11Å
36	L	97.8	Very high	95.9	Very high	4 Å²	4	72.8 Å²	72.8	2%	0.021	37%	0.374	C	S	.	.	I	π-helix	trans	-56.8	-44.4	174.9	-173.5	65.2	0	0	0	111.3	F32 N33 L40 V41 K42 R44 A47 D51 Y52 A55	F32-L36 WeakPolarHBondContact O-CB 3.41Å; F32-L36 PolarHBondContact O-N 2.85Å; N33-L36 PolarHBondContact O-N 3.17Å; L36-L40 HydrophobicContact CD1-CD1 4.19Å; L36-V41 PolarHBondContact O-N 3.02Å; L36-K42 HydrophobicContact CD1-CB 3.87Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 3.48Å; L36-R44 HydrophobicContact CD2-CG 4.28Å; L36-A47 HydrophobicContact CD1-CB 3.98Å; L36-A47 HydrophobicContact CD2-CB 4.49Å; L36-D51 HydrophobicContact CD1-CB 4.2Å; L36-Y52 HydrophobicContact CD1-CD1 4.21Å; L36-Y52 HydrophobicContact CD1-CE1 4.32Å; L36-Y52 HydrophobicContact CD2-CD1 4.26Å; L36-Y52 HydrophobicContact CD2-CE1 3.82Å; L36-A55 HydrophobicContact CB-CB 4.18Å; L36-A55 HydrophobicContact CD1-CB 4.48Å
37	H	97.1	Very high	96.2	Very high	110 Å²	110	71.1 Å²	71.1	51%	0.509	36%	0.361	S	S	.	.	I	π-helix	trans	-78	-52.2	-177.6	-166.4	70	0	0	0	113.5	N33 R34 H35 V41	N33-H37 WeakPolarHBondContact O-CB 3.44Å; N33-H37 PolarHBondContact O-N 3.34Å; R34-H37 PolarHBondContact O-N 3.03Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.44Å; H37-V41 VanDerWaalsContact O-CA 3.27Å; H37-V41 WeakPolarHBondContact O-CA 3.35Å; H37-V41 PolarHBondContact O-N 3.1Å
38	F	97.8	Very high	96.5	Very high	157 Å²	157	70 Å²	70	69%	0.689	36%	0.358	S	S	*	.	I	π-helix	trans	-93.6	-32	-170.1	-65.3	-72.9	0	0	0	114	R34	R34-F38 HydrophobicContact CG-CD2 3.8Å; R34-F38 HydrophobicContact CG-CE2 4.36Å; R34-F38 WeakPolarHBondContact O-CB 3.29Å; R34-F38 WeakPolarHBondContact O-CD2 3.47Å; R34-F38 PolarHBondContact O-N 2.9Å
39	T	96.8	Very high	96.7	Very high	71 Å²	71	75 Å²	75	44%	0.436	38%	0.379	S	S	.	.	I	π-helix	trans	-88.1	-42.9	-179.6	-52.3	0	0	0	0	111.3	H35	H35-T39 PolarHBondContact ND1-OG1 3.01Å; H35-T39 WeakPolarHBondContact O-CA 3.43Å; H35-T39 WeakPolarHBondContact O-CB 3.27Å; H35-T39 PolarHBondContact O-N 3.19Å
40	L	97.1	Very high	96.8	Very high	38 Å²	38	75.3 Å²	75.3	20%	0.199	38%	0.379	C	S	.	.	S	Bend	trans	-96.3	-13.2	-176.7	-56.2	179.6	0	0	0	113.6	H35 L36 K42 D51 F54 A55	H35-L40 PolarHBondContact O-N 3.46Å; L36-L40 HydrophobicContact CD1-CD1 4.19Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 HydrophobicContact CB-CG 4.09Å; L40-K42 PolarHBondContact O-N 3.09Å; L40-D51 HydrophobicContact CD1-CB 4.18Å; L40-D51 WeakPolarHBondContact CD1-O 3.49Å; L40-F54 HydrophobicContact CD1-CB 3.81Å; L40-F54 HydrophobicContact CD2-CB 3.8Å; L40-F54 HydrophobicContact CD2-CG 4.5Å; L40-F54 HydrophobicContact CG-CB 4.43Å; L40-A55 HydrophobicContact CD1-CB 4.05Å
41	V	98	Very high	96.9	Very high	122 Å²	122	72 Å²	72	74%	0.739	36%	0.357	S	S	*	.			trans	57.4	46.8	-179.4	-162.6	0	0	0	0	110.5	L36 H37	L36-V41 PolarHBondContact O-N 3.02Å; H37-V41 VanDerWaalsContact O-CA 3.27Å; H37-V41 WeakPolarHBondContact O-CA 3.35Å; H37-V41 PolarHBondContact O-N 3.1Å
42	K	96.4	Very high	97	Very high	66 Å²	66	71 Å²	71	29%	0.287	35%	0.351	S	S	.	.			trans	-124.3	148.2	-179.7	-64.5	-67.9	-176.2	162.2	0	111.3	L36 L40 V46 A47 D51	L36-K42 HydrophobicContact CD1-CB 3.87Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 3.48Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 HydrophobicContact CB-CG 4.09Å; L40-K42 PolarHBondContact O-N 3.09Å; K42-V46 HydrophobicContact CD-CG2 4.08Å; K42-A47 HydrophobicContact CB-CB 4.39Å; K42-D51 WeakPolarHBondContact CE-OD1 3.48Å; K42-D51 HydrophobicContact CG-CB 4.31Å; K42-D51 IonicContact NZ-OD2 3.15Å
43	D	94.6	Very high	97	Very high	76 Å²	76	71.2 Å²	71.2	41%	0.406	35%	0.351	S	S	.	.			trans	-102.7	170.8	159	70.8	49.5	0	0	0	110.3	N45 V46 A47	D43-N45 PolarHBondContact O-N 3.45Å; D43-N45 WeakPolarHBondContact OD1-CA 3.3Å; D43-N45 WeakPolarHBondContact OD1-CB 3.27Å; D43-N45 PolarHBondContact OD1-N 3.43Å; D43-N45 PolarHBondContact OD1-ND2 2.88Å; D43-V46 PolarHBondContact O-N 3.04Å; D43-V46 PolarHBondContact OD1-N 3.18Å; D43-A47 VanDerWaalsContact O-CB 3.29Å; D43-A47 WeakPolarHBondContact O-CB 3.47Å; D43-A47 PolarHBondContact O-N 3.15Å; D43-A47 VanDerWaalsContact O-N 3.14Å
44	R	92.8	Very high	97	Very high	131 Å²	131	69.6 Å²	69.6	49%	0.494	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19	-176.7	-61.2	-166.6	70.1	-177.5	3	114.2	L36 Y52 L116	L36-R44 HydrophobicContact CD2-CG 4.28Å; R44-Y52 PolarHBondContact O-OH 3.47Å; R44-L116 PolarHBondContact NH2-O 3Å
45	N	94.6	Very high	97.1	Very high	148 Å²	148	64.8 Å²	64.8	79%	0.791	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.5	-177.9	-51.9	-51.9	0	0	0	111.8	D43	D43-N45 PolarHBondContact O-N 3.45Å; D43-N45 WeakPolarHBondContact OD1-CA 3.3Å; D43-N45 WeakPolarHBondContact OD1-CB 3.27Å; D43-N45 PolarHBondContact OD1-N 3.43Å; D43-N45 PolarHBondContact OD1-ND2 2.88Å
46	V	96.7	Very high	97.1	Very high	85 Å²	85	64.6 Å²	64.6	52%	0.515	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-2.2	-177.1	-59.1	0	0	0	0	113.8	K42 D43	K42-V46 HydrophobicContact CD-CG2 4.08Å; D43-V46 PolarHBondContact O-N 3.04Å; D43-V46 PolarHBondContact OD1-N 3.18Å
47	A	97.1	Very high	97.1	Very high	15 Å²	15	64.4 Å²	64.4	12%	0.124	32%	0.321	C	S	.	.			trans	-71.5	126.7	178.7	0	0	0	0	0	111.8	L36 K42 D43 D51 Y52	L36-A47 HydrophobicContact CD1-CB 3.98Å; L36-A47 HydrophobicContact CD2-CB 4.49Å; K42-A47 HydrophobicContact CB-CB 4.39Å; D43-A47 VanDerWaalsContact O-CB 3.29Å; D43-A47 WeakPolarHBondContact O-CB 3.47Å; D43-A47 PolarHBondContact O-N 3.15Å; D43-A47 VanDerWaalsContact O-N 3.14Å; A47-D51 HydrophobicContact CB-CB 4.25Å; A47-Y52 HydrophobicContact CB-CD1 4.29Å; A47-Y52 HydrophobicContact CB-CE1 3.6Å; A47-Y52 HydrophobicContact CB-CE2 4.18Å
48	T	97.6	Very high	97.1	Very high	73 Å²	73	60.3 Å²	60.3	45%	0.448	30%	0.303	S	S	.	.			trans	-88	168.3	173.7	67.8	0	0	0	0	110.9	R50 D51 Y52	T48-R50 PolarHBondContact O-N 3.48Å; T48-R50 PolarHBondContact OG1-N 3.45Å; T48-D51 WeakPolarHBondContact CB-OD2 3.44Å; T48-D51 PolarHBondContact N-OD2 3.38Å; T48-D51 WeakPolarHBondContact O-CB 3.43Å; T48-D51 PolarHBondContact O-N 3.46Å; T48-D51 PolarHBondContact OG1-N 3.39Å; T48-D51 PolarHBondContact OG1-OD2 2.91Å; T48-Y52 WeakPolarHBondContact O-CD2 2.94Å; T48-Y52 PolarHBondContact O-N 3.18Å; T48-Y52 VanDerWaalsContact O-N 3.1Å
49	K	96.9	Very high	97.1	Very high	110 Å²	110	52.9 Å²	52.9	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-33.8	173.6	-55.6	-168.3	-179.1	-166.9	0	112.4	Y52 Y53 E122 L123 I126	K49-Y52 PolarHBondContact O-N 3.4Å; K49-Y53 PolarHBondContact O-N 3.21Å; K49-E122 WeakPolarHBondContact CE-OE2 3.48Å; K49-E122 IonicContact NZ-OE1 2.73Å; K49-E122 PolarHBondContact NZ-OE1 2.89Å; K49-E122 IonicContact NZ-OE2 3.08Å; K49-E122 PolarHBondContact NZ-OE2 3.42Å; K49-L123 HydrophobicContact CB-CD2 4.42Å; K49-L123 WeakPolarHBondContact O-CD2 3.47Å; K49-I126 VanDerWaalsContact C-CD1 3.42Å; K49-I126 HydrophobicContact CB-CD1 3.39Å; K49-I126 WeakPolarHBondContact O-CD1 3.38Å
50	R	97.6	Very high	97.1	Very high	63 Å²	63	49.5 Å²	49.5	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-40	176.1	-175.7	175.8	-68.9	-86.8	1.9	111.9	T48 Y52 Y53 F54 I126 E128	T48-R50 PolarHBondContact O-N 3.48Å; T48-R50 PolarHBondContact OG1-N 3.45Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; R50-Y53 WeakPolarHBondContact O-CB 3.42Å; R50-Y53 PolarHBondContact O-N 3.49Å; R50-F54 HydrophobicContact CG-CD2 3.92Å; R50-F54 HydrophobicContact CG-CE2 3.77Å; R50-F54 VanDerWaalsContact O-CD2 3.29Å; R50-F54 WeakPolarHBondContact O-CD2 3.4Å; R50-F54 PolarHBondContact O-N 3.02Å; R50-I126 HydrophobicContact CB-CG2 4.15Å; R50-I126 HydrophobicContact CG-CG2 4.16Å; R50-E128 IonicContact NH2-OE1 2.77Å
51	D	98	Very high	97.1	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-43.5	174.6	-59.3	-60.7	0	0	0	110.5	L36 L40 K42 A47 T48 Y53 F54 A55	L36-D51 HydrophobicContact CD1-CB 4.2Å; L40-D51 HydrophobicContact CD1-CB 4.18Å; L40-D51 WeakPolarHBondContact CD1-O 3.49Å; K42-D51 WeakPolarHBondContact CE-OD1 3.48Å; K42-D51 HydrophobicContact CG-CB 4.31Å; K42-D51 IonicContact NZ-OD2 3.15Å; A47-D51 HydrophobicContact CB-CB 4.25Å; T48-D51 WeakPolarHBondContact CB-OD2 3.44Å; T48-D51 PolarHBondContact N-OD2 3.38Å; T48-D51 WeakPolarHBondContact O-CB 3.43Å; T48-D51 PolarHBondContact O-N 3.46Å; T48-D51 PolarHBondContact OG1-N 3.39Å; T48-D51 PolarHBondContact OG1-OD2 2.91Å; D51-Y53 PolarHBondContact O-N 3.01Å; D51-F54 PolarHBondContact O-N 3.3Å; D51-A55 PolarHBondContact O-N 3.49Å
52	Y	98.3	Very high	96.9	Very high	25 Å²	25	47.1 Å²	47.1	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-39.3	176	-64.3	-45.7	0	0	0	113.2	F32 L36 R44 A47 T48 K49 R50 A55 L56 L118	F32-Y52 AromaticContact CE1-CD1 3.97Å; F32-Y52 HydrophobicContact CE1-CD1 3.97Å; F32-Y52 WeakPolarHBondContact CE2-O 3.29Å; F32-Y52 AromaticContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CG 4.26Å; L36-Y52 HydrophobicContact CD1-CD1 4.21Å; L36-Y52 HydrophobicContact CD1-CE1 4.32Å; L36-Y52 HydrophobicContact CD2-CD1 4.26Å; L36-Y52 HydrophobicContact CD2-CE1 3.82Å; R44-Y52 PolarHBondContact O-OH 3.47Å; A47-Y52 HydrophobicContact CB-CD1 4.29Å; A47-Y52 HydrophobicContact CB-CE1 3.6Å; A47-Y52 HydrophobicContact CB-CE2 4.18Å; T48-Y52 WeakPolarHBondContact O-CD2 2.94Å; T48-Y52 PolarHBondContact O-N 3.18Å; T48-Y52 VanDerWaalsContact O-N 3.1Å; K49-Y52 PolarHBondContact O-N 3.4Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; Y52-A55 PolarHBondContact O-N 3.42Å; Y52-L56 PolarHBondContact O-N 2.85Å; Y52-L118 HydrophobicContact CD1-CD1 3.9Å; Y52-L118 HydrophobicContact CD2-CD1 4.19Å; Y52-L118 HydrophobicContact CD2-CD2 3.61Å; Y52-L118 HydrophobicContact CE1-CD1 4.4Å; Y52-L118 HydrophobicContact CE2-CD2 3.77Å; Y52-L118 HydrophobicContact CG-CD1 3.77Å; Y52-L118 HydrophobicContact CG-CD2 4.08Å
53	Y	98.4	Very high	96.8	Very high	10 Å²	10	46.6 Å²	46.6	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-50.4	171.6	156.9	-101.2	0	0	0	111.5	K49 R50 D51 A55 L56 A57 L96 L123 I126 E127	K49-Y53 PolarHBondContact O-N 3.21Å; R50-Y53 WeakPolarHBondContact O-CB 3.42Å; R50-Y53 PolarHBondContact O-N 3.49Å; D51-Y53 PolarHBondContact O-N 3.01Å; Y53-A55 VanDerWaalsContact C-N 3.29Å; Y53-A55 PolarHBondContact O-N 3Å; Y53-L56 PolarHBondContact O-N 3.05Å; Y53-A57 HydrophobicContact CE2-CB 4.18Å; Y53-A57 WeakPolarHBondContact O-CB 3.47Å; Y53-A57 PolarHBondContact O-N 3.16Å; Y53-L96 HydrophobicContact CD2-CD2 4.01Å; Y53-L96 HydrophobicContact CE2-CD2 3.98Å; Y53-L123 WeakPolarHBondContact CD2-O 3.15Å; Y53-I126 HydrophobicContact CD1-CG2 4.3Å; Y53-I126 HydrophobicContact CG-CB 4.38Å; Y53-I126 HydrophobicContact CG-CG2 4.32Å; Y53-E127 HydrophobicContact CD2-CB 4.41Å; Y53-E127 HydrophobicContact CE2-CB 3.64Å; Y53-E127 HydrophobicContact CE2-CG 4.02Å; Y53-E127 WeakPolarHBondContact OH-CG 3.5Å
54	F	98.4	Very high	96.7	Very high	26 Å²	26	43 Å²	43	11%	0.114	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-34.3	-179.9	-83.7	-71.9	0	0	0	112.6	L40 R50 D51 N58 Y186 P189	L40-F54 HydrophobicContact CD1-CB 3.81Å; L40-F54 HydrophobicContact CD2-CB 3.8Å; L40-F54 HydrophobicContact CD2-CG 4.5Å; L40-F54 HydrophobicContact CG-CB 4.43Å; R50-F54 HydrophobicContact CG-CD2 3.92Å; R50-F54 HydrophobicContact CG-CE2 3.77Å; R50-F54 VanDerWaalsContact O-CD2 3.29Å; R50-F54 WeakPolarHBondContact O-CD2 3.4Å; R50-F54 PolarHBondContact O-N 3.02Å; D51-F54 PolarHBondContact O-N 3.3Å; F54-N58 WeakPolarHBondContact O-CB 3.27Å; F54-N58 PolarHBondContact O-N 2.94Å; F54-N58 PolarHBondContact O-ND2 2.84Å; F54-Y186 WeakPolarHBondContact CZ-O 3.29Å; F54-P189 HydrophobicContact CD1-CB 4.22Å; F54-P189 HydrophobicContact CD1-CG 4.21Å; F54-P189 HydrophobicContact CE1-CB 4.35Å; F54-P189 HydrophobicContact CE1-CG 4.12Å
55	A	98.3	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-44.1	174.8	0	0	0	0	0	111	F32 H35 L36 L40 D51 Y52 Y53 T59	F32-A55 HydrophobicContact CD1-CB 4.44Å; F32-A55 HydrophobicContact CD2-CB 3.97Å; F32-A55 HydrophobicContact CE1-CB 4.25Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.32Å; F32-A55 HydrophobicContact CZ-CB 3.91Å; H35-A55 HydrophobicContact CB-CB 4.45Å; L36-A55 HydrophobicContact CB-CB 4.18Å; L36-A55 HydrophobicContact CD1-CB 4.48Å; L40-A55 HydrophobicContact CD1-CB 4.05Å; D51-A55 PolarHBondContact O-N 3.49Å; Y52-A55 PolarHBondContact O-N 3.42Å; Y53-A55 VanDerWaalsContact C-N 3.29Å; Y53-A55 PolarHBondContact O-N 3Å; A55-T59 WeakPolarHBondContact O-CB 3.42Å; A55-T59 PolarHBondContact O-N 3.11Å; A55-T59 PolarHBondContact O-OG1 2.79Å
56	L	98.4	Very high	96.5	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-46.8	175.1	-177	58.3	0	0	0	111.9	F32 Y52 Y53 N58 T59 V60 L96 C109 T113 M120 L123	F32-L56 HydrophobicContact CD2-CB 4.18Å; F32-L56 HydrophobicContact CE2-CB 3.97Å; Y52-L56 PolarHBondContact O-N 2.85Å; Y53-L56 PolarHBondContact O-N 3.05Å; L56-N58 PolarHBondContact O-N 3.2Å; L56-T59 WeakPolarHBondContact O-CB 3.43Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 VanDerWaalsContact O-N 3.16Å; L56-V60 HydrophobicContact CD1-CG2 4.14Å; L56-V60 HydrophobicContact CG-CG2 4.48Å; L56-V60 WeakPolarHBondContact O-CG2 3.34Å; L56-V60 PolarHBondContact O-N 2.87Å; L56-L96 HydrophobicContact CD2-CD2 4.02Å; L56-L96 HydrophobicContact CG-CD1 4.32Å; L56-L96 HydrophobicContact CG-CD2 4.4Å; L56-C109 HydrophobicContact CD1-CB 4.44Å; L56-T113 HydrophobicContact CD1-CG2 4.31Å; L56-T113 HydrophobicContact CD2-CG2 4.19Å; L56-M120 HydrophobicContact CD2-CG 4.24Å; L56-L123 HydrophobicContact CD2-CD1 4.22Å
57	A	98.2	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-44.3	-179.9	0	0	0	0	0	112.2	Y53 V60 R61 P189 W190	Y53-A57 HydrophobicContact CE2-CB 4.18Å; Y53-A57 WeakPolarHBondContact O-CB 3.47Å; Y53-A57 PolarHBondContact O-N 3.16Å; A57-V60 PolarHBondContact O-N 2.69Å; A57-R61 WeakPolarHBondContact O-CB 3.46Å; A57-R61 PolarHBondContact O-N 3.17Å; A57-P189 HydrophobicContact CB-CB 4.23Å; A57-P189 HydrophobicContact CB-CG 3.89Å; A57-W190 HydrophobicContact CB-CH2 4.37Å; A57-W190 HydrophobicContact CB-CZ2 3.98Å
58	N	98.1	Very high	96.4	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175.3	-76.9	-68.8	0	0	0	112.2	H35 F54 L56 R61 D62	H35-N58 HydrophobicContact CB-CB 4.26Å; F54-N58 WeakPolarHBondContact O-CB 3.27Å; F54-N58 PolarHBondContact O-N 2.94Å; F54-N58 PolarHBondContact O-ND2 2.84Å; L56-N58 PolarHBondContact O-N 3.2Å; N58-R61 PolarHBondContact O-N 2.95Å; N58-D62 PolarHBondContact O-N 3.34Å
59	T	97.4	Very high	96.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-49.4	175.8	-58.3	0	0	0	0	111.1	L28 N31 F32 A55 L56 R61 D62 H63	L28-T59 HydrophobicContact CD2-CG2 3.78Å; N31-T59 HydrophobicContact CB-CG2 3.8Å; F32-T59 VanDerWaalsContact CA-OG1 3.29Å; F32-T59 WeakPolarHBondContact CA-OG1 3.36Å; F32-T59 PolarHBondContact N-OG1 2.85Å; A55-T59 WeakPolarHBondContact O-CB 3.42Å; A55-T59 PolarHBondContact O-N 3.11Å; A55-T59 PolarHBondContact O-OG1 2.79Å; L56-T59 WeakPolarHBondContact O-CB 3.43Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 VanDerWaalsContact O-N 3.16Å; T59-R61 PolarHBondContact O-N 2.99Å; T59-D62 PolarHBondContact O-N 2.94Å; T59-H63 PolarHBondContact O-CD2 3.38Å; T59-H63 VanDerWaalsContact O-CD2 3.24Å
60	V	96.6	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-39.4	178	173.7	0	0	0	0	111.3	L56 A57 D62 H63 L96 T99 M100 W190	L56-V60 HydrophobicContact CD1-CG2 4.14Å; L56-V60 HydrophobicContact CG-CG2 4.48Å; L56-V60 WeakPolarHBondContact O-CG2 3.34Å; L56-V60 PolarHBondContact O-N 2.87Å; A57-V60 PolarHBondContact O-N 2.69Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 2.95Å; V60-H63 PolarHBondContact O-N 2.75Å; V60-L96 HydrophobicContact CB-CD1 4.21Å; V60-L96 HydrophobicContact CG1-CD1 4.44Å; V60-L96 HydrophobicContact CG2-CD1 4.01Å; V60-T99 HydrophobicContact CG1-CG2 3.5Å; V60-T99 VanDerWaalsContact CG1-CG2 3.5Å; V60-M100 HydrophobicContact CG1-CG 4.05Å; V60-M100 HydrophobicContact CG2-CG 3.99Å; V60-M100 HydrophobicContact CG2-SD 4.2Å; V60-W190 HydrophobicContact CB-CH2 4.45Å; V60-W190 HydrophobicContact CG1-CH2 4.27Å
61	R	96.6	Very high	95.7	Very high	50 Å²	50	26.6 Å²	26.6	19%	0.189	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-37.1	177.4	176	179.7	174.6	-80.3	4	112.9	A57 N58 T59 H63 L64 V65 P189 W190	A57-R61 WeakPolarHBondContact O-CB 3.46Å; A57-R61 PolarHBondContact O-N 3.17Å; N58-R61 PolarHBondContact O-N 2.95Å; T59-R61 PolarHBondContact O-N 2.99Å; R61-H63 PolarHBondContact O-N 3.08Å; R61-L64 WeakPolarHBondContact O-CA 3.24Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 3.41Å; R61-V65 PolarHBondContact O-N 3Å; R61-P189 WeakPolarHBondContact CD-O 3.29Å; R61-P189 PolarHBondContact NE-O 3.25Å; R61-W190 HydrophobicContact CB-CE3 4.37Å; R61-W190 HydrophobicContact CB-CZ3 4.01Å
62	D	95	Very high	95.5	Very high	59 Å²	59	26.9 Å²	26.9	32%	0.316	13%	0.133	S	C	.	.	H	α-helix	trans	-57.6	-35.3	178.6	-83.5	2.6	0	0	0	111.6	R34 H35 N58 T59 V60 L64 V65	R34-D62 IonicContact CZ-OD2 3.34Å; R34-D62 IonicContact NH2-OD2 3.13Å; R34-D62 PolarHBondContact NH2-OD2 2.94Å; H35-D62 IonicContact CE1-OD2 3.87Å; H35-D62 IonicContact NE2-OD2 3.66Å; H35-D62 PolarHBondContact NE2-OD2 3.45Å; H35-D62 VanDerWaalsContact NE2-OD2 3.11Å; N58-D62 PolarHBondContact O-N 3.34Å; T59-D62 PolarHBondContact O-N 2.94Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 2.95Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.99Å; D62-V65 PolarHBondContact O-N 3.38Å
63	H	92.8	Very high	95.1	Very high	55 Å²	55	29 Å²	29	26%	0.255	14%	0.144	S	C	.	.	H	α-helix	trans	-67.7	-22.3	174.6	-65.4	-88.2	0	0	0	113.9	T59 V60 R61 R67 L103 L105	T59-H63 PolarHBondContact O-CD2 3.38Å; T59-H63 VanDerWaalsContact O-CD2 3.24Å; V60-H63 PolarHBondContact O-N 2.75Å; R61-H63 PolarHBondContact O-N 3.08Å; H63-R67 PolarHBondContact O-NH1 3.13Å; H63-L103 HydrophobicContact CB-CD1 3.95Å; H63-L105 HydrophobicContact CB-CD1 4.14Å
64	L	93.6	Very high	94.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-79.2	-37.1	174.2	-70.6	176	0	0	0	112.4	R61 D62 G66 R67 W68 T99 L103 W190 P230 P232 V239	R61-L64 WeakPolarHBondContact O-CA 3.24Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 3.41Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.99Å; L64-G66 PolarHBondContact O-N 3.2Å; L64-R67 PolarHBondContact O-N 3.35Å; L64-R67 VanDerWaalsContact O-N 3.1Å; L64-W68 WeakPolarHBondContact O-CB 3.43Å; L64-W68 PolarHBondContact O-N 2.78Å; L64-T99 HydrophobicContact CD1-CG2 3.56Å; L64-T99 HydrophobicContact CD2-CG2 3.99Å; L64-T99 HydrophobicContact CG-CG2 3.8Å; L64-L103 HydrophobicContact CD2-CD1 3.89Å; L64-L103 HydrophobicContact CD2-CD2 4.02Å; L64-L103 HydrophobicContact CD2-CG 4.2Å; L64-L103 HydrophobicContact CG-CD1 4.15Å; L64-W190 HydrophobicContact CD1-CZ3 4.39Å; L64-P230 HydrophobicContact CD1-CB 4.23Å; L64-P230 HydrophobicContact CD1-CG 3.82Å; L64-P232 HydrophobicContact CD2-CB 3.69Å; L64-P232 HydrophobicContact CD2-CG 4.02Å; L64-V239 HydrophobicContact CD2-CG2 4.05Å
65	V	93	Very high	94.6	Very high	50 Å²	50	31 Å²	31	30%	0.303	15%	0.153	S	C	.	.	H	α-helix	trans	-59.1	-46.8	-169.2	175.6	0	0	0	0	111.7	R61 D62 R67 W68 I69	R61-V65 PolarHBondContact O-N 3Å; D62-V65 PolarHBondContact O-N 3.38Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 3.07Å; V65-W68 PolarHBondContact O-N 3.19Å; V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.28Å; V65-I69 PolarHBondContact O-N 2.98Å
66	G	90	Very high	94.2	Very high	27 Å²	27	32.4 Å²	32.4	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-64.8	-33.8	178.8	0	0	0	0	0	113.5	L64 R70	L64-G66 PolarHBondContact O-N 3.2Å; G66-R70 WeakPolarHBondContact O-CG 3.38Å; G66-R70 PolarHBondContact O-NE 3.21Å
67	R	94.5	Very high	93.8	Very high	32 Å²	32	37.5 Å²	37.5	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-71.6	-44.9	174.6	-69.1	171.6	173.2	74.2	4.7	110.7	H63 L64 V65 I69 R70 T71 N237 V239 P838	H63-R67 PolarHBondContact O-NH1 3.13Å; L64-R67 PolarHBondContact O-N 3.35Å; L64-R67 VanDerWaalsContact O-N 3.1Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 3.07Å; R67-I69 PolarHBondContact O-N 3.41Å; R67-R70 PolarHBondContact O-N 3.48Å; R67-T71 PolarHBondContact O-N 3.02Å; R67-T71 PolarHBondContact O-OG1 3.06Å; R67-T71 VanDerWaalsContact O-OG1 3.07Å; R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 3.36Å; R67-V239 HydrophobicContact CB-CG2 3.64Å; R67-P838 HydrophobicContact CG-CG 3.81Å
68	W	95.8	Very high	93.5	Very high	21 Å²	21	44.5 Å²	44.5	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-46.4	-178.4	-167.6	28	0	0	0	113.5	L64 V65 R70 T71 Q72 K192 D228 P230 V239 T241	L64-W68 WeakPolarHBondContact O-CB 3.43Å; L64-W68 PolarHBondContact O-N 2.78Å; V65-W68 PolarHBondContact O-N 3.19Å; W68-R70 VanDerWaalsContact C-N 3.29Å; W68-R70 PolarHBondContact O-N 3.44Å; W68-T71 PolarHBondContact O-N 3.36Å; W68-Q72 WeakPolarHBondContact O-CG 3.38Å; W68-Q72 PolarHBondContact O-N 3.32Å; W68-K192 HydrophobicContact CH2-CB 4.46Å; W68-K192 HydrophobicContact CZ3-CB 4.44Å; W68-D228 HydrophobicContact CH2-CB 3.48Å; W68-D228 VanDerWaalsContact CH2-CB 3.48Å; W68-D228 HydrophobicContact CZ2-CB 3.66Å; W68-P230 HydrophobicContact CD2-CB 4.18Å; W68-P230 HydrophobicContact CE3-CB 4.37Å; W68-P230 HydrophobicContact CG-CB 4.48Å; W68-V239 HydrophobicContact CB-CB 4Å; W68-V239 HydrophobicContact CB-CG1 3.84Å; W68-V239 VanDerWaalsContact CD1-O 3.26Å; W68-V239 HydrophobicContact CG-CB 4.31Å; W68-V239 HydrophobicContact CG-CG1 3.83Å; W68-T241 HydrophobicContact CZ2-CG2 4.03Å; W68-T241 PolarHBondContact NE1-OG1 3.07Å
69	I	92.6	Very high	93.2	Very high	94 Å²	94	44.8 Å²	44.8	48%	0.482	22%	0.218	S	C	.	.	H	α-helix	trans	-57.2	-45.9	175.5	-69	168.7	0	0	0	110.4	V65 R67 Q72 Q73	V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.28Å; V65-I69 PolarHBondContact O-N 2.98Å; R67-I69 PolarHBondContact O-N 3.41Å; I69-Q72 PolarHBondContact O-N 3.26Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.34Å
70	R	91.9	Very high	93.1	Very high	55 Å²	55	46.7 Å²	46.7	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-73.4	-34.6	-176.7	-68.1	-178	-57	131.8	27.9	113.2	G66 R67 W68 Q73 H74 A836 A837 P838	G66-R70 WeakPolarHBondContact O-CG 3.38Å; G66-R70 PolarHBondContact O-NE 3.21Å; R67-R70 PolarHBondContact O-N 3.48Å; W68-R70 VanDerWaalsContact C-N 3.29Å; W68-R70 PolarHBondContact O-N 3.44Å; R70-Q73 PolarHBondContact O-N 3.11Å; R70-H74 WeakPolarHBondContact O-CB 3.24Å; R70-H74 PolarHBondContact O-N 3.45Å; R70-A836 PolarHBondContact NH1-O 3.03Å; R70-A836 PolarHBondContact NH2-O 2.91Å; R70-A837 PolarHBondContact NH1-O 3.33Å; R70-P838 VanDerWaalsContact NH2-CG 3.27Å
71	T	94.7	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-47.9	170.7	-58.5	0	0	0	0	110.8	R67 W68 Q73 H74 Y75 I238 V239	R67-T71 PolarHBondContact O-N 3.02Å; R67-T71 PolarHBondContact O-OG1 3.06Å; R67-T71 VanDerWaalsContact O-OG1 3.07Å; W68-T71 PolarHBondContact O-N 3.36Å; T71-Q73 PolarHBondContact O-N 3.4Å; T71-H74 PolarHBondContact O-N 2.96Å; T71-Y75 HydrophobicContact CG2-CD2 4.19Å; T71-Y75 HydrophobicContact CG2-CE1 4.11Å; T71-Y75 HydrophobicContact CG2-CE2 3.53Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.47Å; T71-Y75 PolarHBondContact O-N 3.02Å; T71-I238 HydrophobicContact CG2-CG2 3.87Å; T71-V239 WeakPolarHBondContact CB-O 3.35Å; T71-V239 VanDerWaalsContact CG2-O 3.31Å; T71-V239 WeakPolarHBondContact CG2-O 3.44Å; T71-V239 PolarHBondContact OG1-N 3.29Å
72	Q	92.7	Very high	93.2	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-46.9	177.8	-64	-52.5	-57.7	0	0	110.7	W68 I69 H74 Y75 Y76 Y156 T241	W68-Q72 WeakPolarHBondContact O-CG 3.38Å; W68-Q72 PolarHBondContact O-N 3.32Å; I69-Q72 PolarHBondContact O-N 3.26Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.41Å; Q72-Y75 PolarHBondContact O-N 3.04Å; Q72-Y75 VanDerWaalsContact O-N 3.16Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.5Å; Q72-Y76 PolarHBondContact O-N 3.04Å; Q72-Y156 PolarHBondContact OE1-OH 3.26Å; Q72-T241 PolarHBondContact NE2-OG1 3.06Å
73	Q	90.7	Very high	93.4	Very high	70 Å²	70	43.9 Å²	43.9	33%	0.327	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-46.3	176.2	-172.9	171.1	9.6	0	0	112	I69 R70 T71 Y75 Y76 D77	I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.34Å; R70-Q73 PolarHBondContact O-N 3.11Å; T71-Q73 PolarHBondContact O-N 3.4Å; Q73-Y75 VanDerWaalsContact C-N 3.32Å; Q73-Y75 PolarHBondContact O-N 3.39Å; Q73-Y76 PolarHBondContact O-N 3.17Å; Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 2.98Å
74	H	92.5	Very high	93.7	Very high	70 Å²	70	41.4 Å²	41.4	32%	0.324	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-43.2	175.9	179.1	84.1	0	0	0	112.3	R70 T71 Q72 Y76 D77 K78 I835	R70-H74 WeakPolarHBondContact O-CB 3.24Å; R70-H74 PolarHBondContact O-N 3.45Å; T71-H74 PolarHBondContact O-N 2.96Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.41Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 2.93Å; H74-D77 PolarHBondContact O-N 3.35Å; H74-K78 WeakPolarHBondContact O-CB 3.46Å; H74-K78 WeakPolarHBondContact O-CG 3.38Å; H74-K78 PolarHBondContact O-N 3.19Å; H74-I835 HydrophobicContact CB-CD1 4.44Å
75	Y	93.6	Very high	93.9	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-33.9	175.5	-63.4	-21	0	0	0	112.9	T71 Q72 Q73 D79 P80 R82 L153 A154 I238 N240	T71-Y75 HydrophobicContact CG2-CD2 4.19Å; T71-Y75 HydrophobicContact CG2-CE1 4.11Å; T71-Y75 HydrophobicContact CG2-CE2 3.53Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.47Å; T71-Y75 PolarHBondContact O-N 3.02Å; Q72-Y75 PolarHBondContact O-N 3.04Å; Q72-Y75 VanDerWaalsContact O-N 3.16Å; Q73-Y75 VanDerWaalsContact C-N 3.32Å; Q73-Y75 PolarHBondContact O-N 3.39Å; Y75-D79 VanDerWaalsContact O-CA 3.25Å; Y75-D79 WeakPolarHBondContact O-CA 3.31Å; Y75-D79 PolarHBondContact O-N 3.09Å; Y75-P80 HydrophobicContact CD1-CG 4.32Å; Y75-P80 WeakPolarHBondContact O-CD 3.32Å; Y75-R82 PolarHBondContact O-NH2 3.29Å; Y75-L153 PolarHBondContact OH-O 3.44Å; Y75-A154 HydrophobicContact CD1-CB 3.86Å; Y75-A154 HydrophobicContact CD2-CB 4.05Å; Y75-A154 HydrophobicContact CE1-CB 3.83Å; Y75-A154 HydrophobicContact CE2-CB 4Å; Y75-A154 HydrophobicContact CG-CB 3.99Å; Y75-I238 WeakPolarHBondContact OH-CG2 3.34Å; Y75-N240 VanDerWaalsContact CE2-OD1 3.29Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.14Å; Y75-N240 PolarHBondContact OH-OD1 3.12Å
76	Y	89.3	Confident	94.2	Very high	31 Å²	31	39 Å²	39	12%	0.122	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-41.4	173	-81.5	-86.2	0	0	0	111.9	Q72 Q73 H74 F317	Q72-Y76 WeakPolarHBondContact O-CD2 3.5Å; Q72-Y76 PolarHBondContact O-N 3.04Å; Q73-Y76 PolarHBondContact O-N 3.17Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 2.93Å; Y76-F317 HydrophobicContact CD1-CB 4.36Å; Y76-F317 HydrophobicContact CD2-CB 4.44Å; Y76-F317 AromaticContact CD2-CD2 3.49Å; Y76-F317 HydrophobicContact CD2-CD2 3.49Å; Y76-F317 VanDerWaalsContact CD2-CD2 3.49Å; Y76-F317 HydrophobicContact CD2-CE2 4.25Å; Y76-F317 HydrophobicContact CD2-CG 4.44Å; Y76-F317 AromaticContact CE2-CD2 3.94Å; Y76-F317 HydrophobicContact CE2-CD2 3.94Å; Y76-F317 HydrophobicContact CE2-CE2 4.45Å; Y76-F317 HydrophobicContact CG-CB 3.94Å; Y76-F317 AromaticContact CG-CD2 3.87Å; Y76-F317 HydrophobicContact CG-CD2 3.87Å; Y76-F317 HydrophobicContact CG-CG 4.42Å
77	D	89.9	Confident	94.5	Very high	111 Å²	111	37.7 Å²	37.7	59%	0.594	18%	0.177	S	C	*	.	H	α-helix	trans	-69.9	-41.3	-177.6	-65.2	-19.9	0	0	0	112.3	Q73 H74	Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 2.98Å; H74-D77 PolarHBondContact O-N 3.35Å
78	K	91.8	Very high	94.6	Very high	148 Å²	148	36.3 Å²	36.3	64%	0.643	17%	0.172	S	C	*	.	H	α-helix	trans	-82.6	-23.6	177.5	-65.7	-61.9	-174.1	177.6	0	113.4	H74	H74-K78 WeakPolarHBondContact O-CB 3.46Å; H74-K78 WeakPolarHBondContact O-CG 3.38Å; H74-K78 PolarHBondContact O-N 3.19Å
79	D	93	Very high	94.5	Very high	29 Å²	29	35.5 Å²	35.5	16%	0.155	17%	0.169	C	C	.	.			trans	44.4	56	-175.6	-178.2	48.9	0	0	0	113.9	Y75 R82 R324 K333	Y75-D79 VanDerWaalsContact O-CA 3.25Å; Y75-D79 WeakPolarHBondContact O-CA 3.31Å; Y75-D79 PolarHBondContact O-N 3.09Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 3.18Å; D79-R324 IonicContact OD1-NH2 3.81Å; D79-R324 PolarHBondContact OD1-NH2 3.47Å; D79-R324 VanDerWaalsContact OD1-NH2 3.12Å; D79-R324 IonicContact OD2-CZ 3.3Å; D79-R324 IonicContact OD2-NH2 3.62Å; D79-R324 PolarHBondContact OD2-NH2 3.07Å; D79-K333 PolarHBondContact O-NZ 3.48Å; D79-K333 IonicContact OD2-NZ 3.64Å; D79-K333 PolarHBondContact OD2-NZ 2.9Å
80	P	95	Very high	94.7	Very high	41 Å²	41	31.1 Å²	31.1	27%	0.266	15%	0.146	S	C	.	.			trans	-69.4	167.5	177.2	33.1	-34.8	0	0	0	110.8	Y75 R82 A154	Y75-P80 HydrophobicContact CD1-CG 4.32Å; Y75-P80 WeakPolarHBondContact O-CD 3.32Å; P80-R82 PolarHBondContact O-NH1 2.71Å; P80-R82 VanDerWaalsContact O-NH1 3.17Å; P80-A154 HydrophobicContact CB-CB 4.43Å; P80-A154 HydrophobicContact CG-CB 3.61Å
81	K	97.4	Very high	94.8	Very high	43 Å²	43	29.2 Å²	29.2	19%	0.187	14%	0.139	C	C	.	.			trans	-58.1	138.3	161.7	-172.8	169.4	-174.3	176.2	0	108.9	P331 D332 W826 M828	K81-P331 WeakPolarHBondContact CE-O 3.33Å; K81-P331 PolarHBondContact NZ-O 2.91Å; K81-D332 WeakPolarHBondContact CB-O 3.33Å; K81-D332 WeakPolarHBondContact CD-O 3.39Å; K81-D332 WeakPolarHBondContact CG-O 3.25Å; K81-W826 WeakPolarHBondContact CD-O 3.47Å; K81-W826 WeakPolarHBondContact CE-O 3.33Å; K81-W826 PolarHBondContact NZ-O 3.07Å; K81-M828 HydrophobicContact CB-CG 4.28Å; K81-M828 HydrophobicContact CB-SD 4.38Å; K81-M828 HydrophobicContact CD-CG 4.3Å; K81-M828 HydrophobicContact CG-CG 4.4Å; K81-M828 HydrophobicContact CG-SD 4.37Å; K81-M828 WeakPolarHBondContact O-CE 3.45Å
82	R	98.1	Very high	94.9	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.9	-177.8	-69.3	172.5	178	83.4	-10.9	110.7	Y75 D79 P80 Y84 A154 Y156 K333 V334 A335	Y75-R82 PolarHBondContact O-NH2 3.29Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 3.18Å; P80-R82 PolarHBondContact O-NH1 2.71Å; P80-R82 VanDerWaalsContact O-NH1 3.17Å; R82-Y84 HydrophobicContact CB-CE2 3.84Å; R82-Y84 WeakPolarHBondContact CD-OH 3.32Å; R82-A154 VanDerWaalsContact CA-O 3.28Å; R82-A154 WeakPolarHBondContact CA-O 3.45Å; R82-A154 HydrophobicContact CG-CB 4.23Å; R82-Y156 HydrophobicContact CB-CE2 4.42Å; R82-Y156 HydrophobicContact CG-CE2 4.19Å; R82-K333 PolarHBondContact N-O 2.79Å; R82-V334 WeakPolarHBondContact O-CA 3.29Å; R82-A335 PolarHBondContact O-N 3.46Å
83	V	98.3	Very high	95.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	175.2	169.9	0	0	0	0	109.7	M148 A154 A155 Y156 A335 W826 M828	V83-M148 HydrophobicContact CG1-SD 4.37Å; V83-A154 PolarHBondContact N-O 3.48Å; V83-A155 HydrophobicContact CB-CB 4.26Å; V83-A155 CarbonylContact O-C 3.48Å; V83-A155 WeakPolarHBondContact O-CA 3.43Å; V83-Y156 PolarHBondContact O-N 3.47Å; V83-A335 WeakPolarHBondContact CA-O 3.36Å; V83-A335 HydrophobicContact CG2-CB 4.06Å; V83-W826 HydrophobicContact CB-CD2 4.44Å; V83-W826 HydrophobicContact CB-CE3 4.35Å; V83-W826 HydrophobicContact CG1-CD2 3.94Å; V83-W826 HydrophobicContact CG1-CE3 4Å; V83-W826 HydrophobicContact CG1-CH2 4.02Å; V83-W826 HydrophobicContact CG1-CZ2 3.95Å; V83-W826 HydrophobicContact CG1-CZ3 4.05Å; V83-W826 HydrophobicContact CG2-CB 3.88Å; V83-W826 HydrophobicContact CG2-CD2 3.59Å; V83-W826 HydrophobicContact CG2-CE3 3.59Å; V83-W826 HydrophobicContact CG2-CG 3.71Å; V83-W826 HydrophobicContact CG2-CZ3 4.35Å; V83-M828 HydrophobicContact CB-SD 4.5Å; V83-M828 HydrophobicContact CG2-SD 3.34Å; V83-M828 WeakPolarHBondContact CG2-SD 3.46Å
84	Y	98.8	Very high	95.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	108	177.1	-60.8	-72.5	0	0	0	108.7	R82 Y156 Y158 I308 R311 V334 A335 I336 Q337	R82-Y84 HydrophobicContact CB-CE2 3.84Å; R82-Y84 WeakPolarHBondContact CD-OH 3.32Å; Y84-Y156 HydrophobicContact CD1-CD2 4.09Å; Y84-Y156 HydrophobicContact CD1-CG 4.26Å; Y84-Y156 AromaticContact CE1-CD2 3.59Å; Y84-Y156 HydrophobicContact CE1-CD2 3.59Å; Y84-Y156 HydrophobicContact CE1-CE2 4.29Å; Y84-Y156 AromaticContact CE1-CG 3.97Å; Y84-Y156 HydrophobicContact CE1-CG 3.97Å; Y84-Y158 HydrophobicContact CD1-CD2 4.01Å; Y84-Y158 AromaticContact CD1-CE2 3.52Å; Y84-Y158 HydrophobicContact CD1-CE2 3.52Å; Y84-Y158 AromaticContact CE1-CE2 3.94Å; Y84-Y158 HydrophobicContact CE1-CE2 3.94Å; Y84-I308 HydrophobicContact CD1-CD1 3.92Å; Y84-I308 HydrophobicContact CD1-CG1 3.78Å; Y84-I308 HydrophobicContact CD2-CD1 3.67Å; Y84-I308 HydrophobicContact CD2-CG1 3.84Å; Y84-I308 HydrophobicContact CD2-CG2 4.15Å; Y84-I308 HydrophobicContact CE1-CD1 4.47Å; Y84-I308 HydrophobicContact CE1-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CB 4.39Å; Y84-I308 HydrophobicContact CE2-CD1 4.22Å; Y84-I308 HydrophobicContact CE2-CG1 3.88Å; Y84-I308 HydrophobicContact CE2-CG2 3.79Å; Y84-I308 HydrophobicContact CG-CD1 3.46Å; Y84-I308 VanDerWaalsContact CG-CD1 3.46Å; Y84-I308 HydrophobicContact CG-CG1 3.76Å; Y84-R311 WeakPolarHBondContact OH-CD 3.4Å; Y84-R311 PolarHBondContact OH-NH1 3.21Å; Y84-V334 HydrophobicContact CD2-CG1 3.77Å; Y84-V334 HydrophobicContact CE2-CB 4.49Å; Y84-V334 HydrophobicContact CE2-CG1 3.84Å; Y84-V334 HydrophobicContact CE2-CG2 4.35Å; Y84-A335 PolarHBondContact N-O 3.48Å; Y84-I336 WeakPolarHBondContact O-CA 3.29Å; Y84-Q337 PolarHBondContact O-N 2.9Å
85	Y	98.8	Very high	95.6	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.3	179	-165.4	-91.3	0	0	0	108.9	F90 A141 F144 Y156 Y158 Q337 N339	Y85-F90 HydrophobicContact CD1-CE1 4.35Å; Y85-F90 HydrophobicContact CD1-CZ 4.3Å; Y85-A141 HydrophobicContact CD1-CB 4.37Å; Y85-A141 HydrophobicContact CE1-CB 3.66Å; Y85-F144 AromaticContact CE2-CD2 3.77Å; Y85-F144 HydrophobicContact CE2-CD2 3.77Å; Y85-F144 HydrophobicContact CE2-CE2 4.27Å; Y85-F144 AromaticContact CZ-CD2 3.82Å; Y85-Y156 PolarHBondContact N-O 2.73Å; Y85-Y158 PolarHBondContact O-N 2.6Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.25Å; Y85-Q337 HydrophobicContact CE2-CG 3.79Å; Y85-N339 HydrophobicContact CE1-CB 3.76Å; Y85-N339 PolarHBondContact OH-ND2 3.39Å; Y85-N339 PolarHBondContact OH-OD1 3.13Å; Y85-N339 VanDerWaalsContact OH-OD1 3.09Å
86	L	98.8	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.5	-178.1	-82.8	60.4	0	0	0	109.1	T304 I336 Q337 N339 P343 A346	L86-T304 HydrophobicContact CD1-CG2 3.88Å; L86-T304 HydrophobicContact CD2-CG2 4.27Å; L86-T304 HydrophobicContact CG-CG2 4.1Å; L86-I336 HydrophobicContact CD1-CG2 3.97Å; L86-I336 HydrophobicContact CD2-CG2 4.12Å; L86-Q337 PolarHBondContact N-O 3.32Å; L86-N339 VanDerWaalsContact O-CB 3.26Å; L86-N339 WeakPolarHBondContact O-CB 3.47Å; L86-N339 PolarHBondContact O-N 3.45Å; L86-P343 HydrophobicContact CB-CB 3.81Å; L86-P343 HydrophobicContact CB-CG 4.14Å; L86-P343 HydrophobicContact CD2-CB 4.22Å; L86-A346 HydrophobicContact CD2-CB 4.28Å
87	S	97.3	Very high	96.2	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.117	C	C	.	.			trans	-147	142.7	174.1	-166.7	0	0	0	0	111.5	E89 F90 Y158 G159 N339	S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 PolarHBondContact OG-O 2.93Å; S87-E89 VanDerWaalsContact OG-O 3.13Å; S87-F90 WeakPolarHBondContact O-CE2 3.5Å; S87-Y158 PolarHBondContact N-O 2.94Å; S87-Y158 VanDerWaalsContact O-O 3.13Å; S87-G159 VanDerWaalsContact O-CA 3.23Å; S87-G159 WeakPolarHBondContact O-CA 3.31Å; S87-N339 PolarHBondContact OG-ND2 3.01Å
88	L	95.4	Very high	96.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	-77.8	-8.7	169.6	-87.7	70.3	0	0	0	112.3	Y162 Q296 E297 V300 H342	L88-Y162 WeakPolarHBondContact O-CE2 3.39Å; L88-Y162 PolarHBondContact O-OH 3.4Å; L88-Q296 HydrophobicContact CD2-CB 4.47Å; L88-E297 HydrophobicContact CD1-CG 4.44Å; L88-E297 HydrophobicContact CD2-CG 3.57Å; L88-V300 HydrophobicContact CD1-CG1 3.64Å; L88-V300 HydrophobicContact CG-CG1 4.39Å; L88-H342 HydrophobicContact CB-CB 4.41Å; L88-H342 HydrophobicContact CD1-CB 3.72Å; L88-H342 HydrophobicContact CD2-CB 4.17Å; L88-H342 HydrophobicContact CG-CB 4.3Å
89	E	93.8	Very high	96.8	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.019	6%	0.062	C	C	.	.			trans	-128.5	131.2	179.4	-60.7	-167.1	-175.7	0	0	112.3	S87 L132 N134 L137 G138 L280 Y281	S87-E89 PolarHBondContact OG-N 3.3Å; S87-E89 PolarHBondContact OG-O 2.93Å; S87-E89 VanDerWaalsContact OG-O 3.13Å; E89-L132 CarbonylContact C-O 3Å; E89-L132 VanDerWaalsContact CA-O 3.26Å; E89-L132 WeakPolarHBondContact CA-O 3.39Å; E89-N134 WeakPolarHBondContact OE1-CB 3.44Å; E89-N134 PolarHBondContact OE1-ND2 3.36Å; E89-N134 PolarHBondContact OE2-N 3.15Å; E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.23Å; E89-G138 VanDerWaalsContact CB-CA 3.48Å; E89-G138 PolarHBondContact OE2-N 2.73Å; E89-L280 HydrophobicContact CG-CD1 4.25Å; E89-Y281 HydrophobicContact CG-CE2 3.91Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.48Å; E89-Y281 PolarHBondContact OE1-OH 2.95Å
90	F	96.4	Very high	97	Very high	2 Å²	2	11 Å²	11	1%	0.009	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	95.9	166.5	-72.5	-83.7	0	0	0	109.5	Y85 S87 M92 L132 A141 L145 Y158 M242 L244	Y85-F90 HydrophobicContact CD1-CE1 4.35Å; Y85-F90 HydrophobicContact CD1-CZ 4.3Å; S87-F90 WeakPolarHBondContact O-CE2 3.5Å; F90-M92 VanDerWaalsContact C-N 3.29Å; F90-M92 HydrophobicContact CB-CG 4.2Å; F90-M92 HydrophobicContact CB-SD 4.23Å; F90-M92 PolarHBondContact O-N 3.19Å; F90-L132 PolarHBondContact N-O 3.19Å; F90-L132 CarbonylContact O-C 3.59Å; F90-L132 WeakPolarHBondContact O-CB 3.01Å; F90-A141 HydrophobicContact CD1-CB 3.78Å; F90-A141 HydrophobicContact CE1-CB 3.77Å; F90-L145 HydrophobicContact CD1-CD1 3.58Å; F90-L145 HydrophobicContact CD1-CG 4.34Å; F90-L145 HydrophobicContact CE1-CD1 3.58Å; F90-L145 HydrophobicContact CE1-CD2 4.33Å; F90-L145 HydrophobicContact CE1-CG 4.01Å; F90-Y158 WeakPolarHBondContact CE2-O 3.33Å; F90-M242 HydrophobicContact CB-SD 3.85Å; F90-M242 HydrophobicContact CD1-SD 3.93Å; F90-M242 HydrophobicContact CD2-SD 4.28Å; F90-M242 HydrophobicContact CG-SD 3.75Å; F90-L244 HydrophobicContact CD2-CD2 4.2Å
91	Y	95.6	Very high	97	Very high	16 Å²	16	9.5 Å²	9.5	6%	0.063	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	73.7	-176.7	-155.5	0	0	0	0	110.7	G138 R139 I166 R650 V651	Y91-G138 PolarHBondContact N-O 2.77Å; Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.43Å; Y91-R139 PolarHBondContact O-NH1 3.46Å; Y91-I166 HydrophobicContact CE1-CG2 4.43Å; Y91-R650 VanDerWaalsContact OH-CA 3.28Å; Y91-R650 WeakPolarHBondContact OH-CA 3.34Å; Y91-R650 VanDerWaalsContact OH-CB 3.3Å; Y91-R650 WeakPolarHBondContact OH-CB 3.37Å; Y91-V651 HydrophobicContact CD1-CG2 3.63Å; Y91-V651 HydrophobicContact CD2-CG2 4.16Å; Y91-V651 HydrophobicContact CE1-CG2 3.81Å; Y91-V651 HydrophobicContact CE2-CG2 4.33Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å
92	M	96.3	Very high	96.9	Very high	23 Å²	23	7.5 Å²	7.5	11%	0.113	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-39	-167	-63.9	-58.2	-71.5	0	0	113.3	F90 A130 R139 A142 L145 M242	F90-M92 VanDerWaalsContact C-N 3.29Å; F90-M92 HydrophobicContact CB-CG 4.2Å; F90-M92 HydrophobicContact CB-SD 4.23Å; F90-M92 PolarHBondContact O-N 3.19Å; M92-A130 HydrophobicContact CB-CB 4.1Å; M92-A130 PolarHBondContact N-O 3.38Å; M92-R139 PolarHBondContact O-NH1 2.98Å; M92-A142 HydrophobicContact SD-CB 3.53Å; M92-A142 VanDerWaalsContact SD-CB 3.53Å; M92-L145 HydrophobicContact SD-CD1 4.26Å; M92-M242 HydrophobicContact CE-CE 4.41Å; M92-M242 HydrophobicContact CE-SD 4.42Å; M92-M242 HydrophobicContact CG-CE 4.01Å; M92-M242 HydrophobicContact CG-SD 4.15Å; M92-M242 HydrophobicContact SD-CE 4.36Å; M92-M242 HydrophobicContact SD-SD 3.93Å
93	G	95.7	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-152	-169.2	0	0	0	0	0	111.5	A130	G93-A130 PolarHBondContact O-N 2.93Å
94	R	97	Very high	96.4	Very high	27 Å²	27	9.5 Å²	9.5	10%	0.102	5%	0.051	C	C	.	.			trans	-76.3	146.3	175.7	-69.7	177	175.2	170.4	-6.6	112.3	Q124 D125 E127 D129 R491 T652	R94-Q124 PolarHBondContact NH1-O 3.33Å; R94-D125 IonicContact CZ-OD1 3.35Å; R94-D125 IonicContact NH1-OD1 3.52Å; R94-D125 PolarHBondContact NH1-OD1 3.29Å; R94-D125 PolarHBondContact NH2-O 2.85Å; R94-D125 IonicContact NH2-OD1 2.7Å; R94-E127 HydrophobicContact CB-CG 4.2Å; R94-E127 WeakPolarHBondContact CB-OE2 3.48Å; R94-E127 HydrophobicContact CG-CB 4Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 3.22Å; R94-E127 PolarHBondContact NH2-O 3.09Å; R94-E127 VanDerWaalsContact NH2-O 3.11Å; R94-D129 IonicContact NE-OD1 3.37Å; R94-R491 PolarHBondContact O-NH1 3.22Å; R94-R491 PolarHBondContact O-NH2 2.83Å; R94-T652 WeakPolarHBondContact CD-OG1 3.24Å; R94-T652 PolarHBondContact NE-OG1 3.01Å
95	T	97.9	Very high	96	Very high	17 Å²	17	10.3 Å²	10.3	10%	0.104	6%	0.056	C	C	.	.			trans	-111.3	-25.1	-172.7	-56.8	0	0	0	0	113.2	N98 T99 E127 W190	T95-N98 PolarHBondContact O-N 3.38Å; T95-T99 WeakPolarHBondContact O-CB 3.39Å; T95-T99 PolarHBondContact O-N 3.26Å; T95-T99 PolarHBondContact O-OG1 2.89Å; T95-E127 VanDerWaalsContact N-CD 3.32Å; T95-E127 PolarHBondContact N-OE1 3.2Å; T95-E127 PolarHBondContact N-OE2 2.78Å; T95-W190 HydrophobicContact CG2-CD2 3.73Å; T95-W190 HydrophobicContact CG2-CE3 4.05Å; T95-W190 HydrophobicContact CG2-CG 3.98Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å
96	L	97.9	Very high	95.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.9	-59.6	-174.1	179.1	56.9	0	0	0	112.6	Y53 L56 V60 N98 T99 M100 Q124 E127 W190	Y53-L96 HydrophobicContact CD2-CD2 4.01Å; Y53-L96 HydrophobicContact CE2-CD2 3.98Å; L56-L96 HydrophobicContact CD2-CD2 4.02Å; L56-L96 HydrophobicContact CG-CD1 4.32Å; L56-L96 HydrophobicContact CG-CD2 4.4Å; V60-L96 HydrophobicContact CB-CD1 4.21Å; V60-L96 HydrophobicContact CG1-CD1 4.44Å; V60-L96 HydrophobicContact CG2-CD1 4.01Å; L96-N98 PolarHBondContact O-N 3.08Å; L96-T99 WeakPolarHBondContact O-CB 3.46Å; L96-T99 PolarHBondContact O-N 3.16Å; L96-M100 HydrophobicContact CD1-CE 4.47Å; L96-M100 HydrophobicContact CD1-SD 4.48Å; L96-M100 HydrophobicContact CG-CE 4.08Å; L96-M100 WeakPolarHBondContact O-CG 3.48Å; L96-M100 PolarHBondContact O-N 3.19Å; L96-M100 VanDerWaalsContact O-N 3.08Å; L96-Q124 HydrophobicContact CD2-CG 4.16Å; L96-E127 WeakPolarHBondContact CB-OE2 3.5Å; L96-E127 PolarHBondContact N-OE1 2.82Å; L96-E127 PolarHBondContact N-OE2 2.65Å; L96-W190 VanDerWaalsContact CA-CZ2 3.49Å; L96-W190 HydrophobicContact CB-CH2 4.49Å; L96-W190 HydrophobicContact CB-CZ2 3.84Å; L96-W190 HydrophobicContact CD1-CH2 3.95Å; L96-W190 HydrophobicContact CD1-CZ2 3.98Å
97	Q	96.8	Very high	95.3	Very high	30 Å²	30	10.6 Å²	10.6	14%	0.14	6%	0.057	C	C	.	.	H	α-helix	trans	-65.8	-40.4	-176.8	-166.5	-174.4	13.9	0	0	111.9	T99 M100 V101 E106 M495	Q97-T99 VanDerWaalsContact C-N 3.28Å; Q97-T99 PolarHBondContact O-N 3.41Å; Q97-M100 HydrophobicContact CB-CE 4.3Å; Q97-M100 HydrophobicContact CG-CE 4.39Å; Q97-M100 PolarHBondContact O-N 3.08Å; Q97-M100 VanDerWaalsContact O-N 3.14Å; Q97-V101 WeakPolarHBondContact O-CG2 3.33Å; Q97-V101 PolarHBondContact O-N 3.3Å; Q97-E106 PolarHBondContact NE2-OE1 3.37Å; Q97-M495 HydrophobicContact CB-CE 3.84Å; Q97-M495 HydrophobicContact CB-CG 4.31Å; Q97-M495 HydrophobicContact CB-SD 4.22Å; Q97-M495 VanDerWaalsContact CD-CG 3.47Å; Q97-M495 HydrophobicContact CG-CE 4.39Å; Q97-M495 HydrophobicContact CG-CG 3.89Å; Q97-M495 HydrophobicContact CG-SD 4.42Å; Q97-M495 PolarHBondContact NE2-O 3.02Å; Q97-M495 VanDerWaalsContact OE1-CG 3.28Å
98	N	97.2	Very high	95.1	Very high	15 Å²	15	10.6 Å²	10.6	8%	0.08	6%	0.057	C	C	.	.	H	α-helix	trans	-60.7	-38	176.4	175.6	-120.6	0	0	0	112.5	T95 L96 V101 N102 M495	T95-N98 PolarHBondContact O-N 3.38Å; L96-N98 PolarHBondContact O-N 3.08Å; N98-V101 PolarHBondContact O-N 3.26Å; N98-N102 WeakPolarHBondContact O-CB 3.28Å; N98-N102 PolarHBondContact O-N 2.97Å; N98-M495 HydrophobicContact CB-SD 3.84Å
99	T	97.5	Very high	95	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-45.5	174.2	-59.3	0	0	0	0	111.2	V60 L64 T95 L96 Q97 V101 N102 L103 W190	V60-T99 HydrophobicContact CG1-CG2 3.5Å; V60-T99 VanDerWaalsContact CG1-CG2 3.5Å; L64-T99 HydrophobicContact CD1-CG2 3.56Å; L64-T99 HydrophobicContact CD2-CG2 3.99Å; L64-T99 HydrophobicContact CG-CG2 3.8Å; T95-T99 WeakPolarHBondContact O-CB 3.39Å; T95-T99 PolarHBondContact O-N 3.26Å; T95-T99 PolarHBondContact O-OG1 2.89Å; L96-T99 WeakPolarHBondContact O-CB 3.46Å; L96-T99 PolarHBondContact O-N 3.16Å; Q97-T99 VanDerWaalsContact C-N 3.28Å; Q97-T99 PolarHBondContact O-N 3.41Å; T99-V101 VanDerWaalsContact C-N 3.34Å; T99-V101 PolarHBondContact O-N 2.97Å; T99-N102 PolarHBondContact O-N 3.29Å; T99-L103 HydrophobicContact CG2-CD1 3.83Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.33Å; T99-L103 WeakPolarHBondContact O-CG 3.15Å; T99-L103 PolarHBondContact O-N 2.85Å; T99-W190 HydrophobicContact CG2-CZ3 4.43Å
100	M	96.2	Very high	95	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-42	177.4	-66.7	-172.1	-63.8	0	0	111.9	V60 L96 Q97 L103 G104 L105 E106 C109 M120	V60-M100 HydrophobicContact CG1-CG 4.05Å; V60-M100 HydrophobicContact CG2-CG 3.99Å; V60-M100 HydrophobicContact CG2-SD 4.2Å; L96-M100 HydrophobicContact CD1-CE 4.47Å; L96-M100 HydrophobicContact CD1-SD 4.48Å; L96-M100 HydrophobicContact CG-CE 4.08Å; L96-M100 WeakPolarHBondContact O-CG 3.48Å; L96-M100 PolarHBondContact O-N 3.19Å; L96-M100 VanDerWaalsContact O-N 3.08Å; Q97-M100 HydrophobicContact CB-CE 4.3Å; Q97-M100 HydrophobicContact CG-CE 4.39Å; Q97-M100 PolarHBondContact O-N 3.08Å; Q97-M100 VanDerWaalsContact O-N 3.14Å; M100-L103 PolarHBondContact O-N 2.79Å; M100-G104 PolarHBondContact O-N 3.2Å; M100-L105 PolarHBondContact O-N 3Å; M100-E106 HydrophobicContact CB-CB 4.13Å; M100-C109 HydrophobicContact SD-CB 3.52Å; M100-C109 VanDerWaalsContact SD-CB 3.52Å; M100-M120 HydrophobicContact CE-CE 4.35Å; M100-M120 HydrophobicContact CE-SD 3.67Å; M100-M120 HydrophobicContact SD-SD 3.91Å
101	V	95.2	Very high	94.9	Very high	8 Å²	8	14.8 Å²	14.8	5%	0.048	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-50.6	175.1	169.6	0	0	0	0	111	Q97 N98 T99 L103 G104 E106 Y234 V494 M495	Q97-V101 WeakPolarHBondContact O-CG2 3.33Å; Q97-V101 PolarHBondContact O-N 3.3Å; N98-V101 PolarHBondContact O-N 3.26Å; T99-V101 VanDerWaalsContact C-N 3.34Å; T99-V101 PolarHBondContact O-N 2.97Å; V101-L103 VanDerWaalsContact C-N 3.29Å; V101-L103 PolarHBondContact O-N 3.14Å; V101-G104 PolarHBondContact O-N 3.18Å; V101-E106 WeakPolarHBondContact CG2-OE2 3.31Å; V101-Y234 HydrophobicContact CG1-CD2 4.33Å; V101-Y234 HydrophobicContact CG1-CE2 4.06Å; V101-V494 HydrophobicContact CG1-CG1 4.05Å; V101-M495 HydrophobicContact CG2-CB 4.34Å
102	N	96	Very high	94.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-69.7	-26	-176.3	-74.3	-4.5	0	0	0	112.7	N98 T99 D146 P232 Y234 R235	N98-N102 WeakPolarHBondContact O-CB 3.28Å; N98-N102 PolarHBondContact O-N 2.97Å; T99-N102 PolarHBondContact O-N 3.29Å; N102-D146 PolarHBondContact ND2-OD1 3.09Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.11Å; N102-P232 PolarHBondContact ND2-O 3.47Å; N102-Y234 WeakPolarHBondContact OD1-CD2 3.37Å; N102-R235 WeakPolarHBondContact O-CA 3.3Å; N102-R235 PolarHBondContact O-N 3.39Å
103	L	93	Very high	94.7	Very high	31 Å²	31	13.2 Å²	13.2	16%	0.162	7%	0.072	C	C	.	.	H	α-helix	trans	-88.9	-12.4	173.7	-64.3	-178.5	0	0	0	114	H63 L64 T99 M100 V101 L105	H63-L103 HydrophobicContact CB-CD1 3.95Å; L64-L103 HydrophobicContact CD2-CD1 3.89Å; L64-L103 HydrophobicContact CD2-CD2 4.02Å; L64-L103 HydrophobicContact CD2-CG 4.2Å; L64-L103 HydrophobicContact CG-CD1 4.15Å; T99-L103 HydrophobicContact CG2-CD1 3.83Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.33Å; T99-L103 WeakPolarHBondContact O-CG 3.15Å; T99-L103 PolarHBondContact O-N 2.85Å; M100-L103 PolarHBondContact O-N 2.79Å; V101-L103 VanDerWaalsContact C-N 3.29Å; V101-L103 PolarHBondContact O-N 3.14Å; L103-L105 HydrophobicContact CB-CB 4.48Å; L103-L105 HydrophobicContact CB-CD1 3.82Å; L103-L105 HydrophobicContact CB-CG 3.84Å; L103-L105 HydrophobicContact CD1-CD1 3.86Å
104	G	91.9	Very high	94.7	Very high	19 Å²	19	21 Å²	21	20%	0.196	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	33.2	-173.9	0	0	0	0	0	113.6	M100 V101	M100-G104 PolarHBondContact O-N 3.2Å; V101-G104 PolarHBondContact O-N 3.18Å
105	L	92.2	Very high	94.6	Very high	20 Å²	20	24.2 Å²	24.2	11%	0.105	12%	0.119	C	C	.	.			trans	-106.6	-3.3	-175.4	-67.3	177.3	0	0	0	114.2	H63 M100 L103 N107 A108 C109	H63-L105 HydrophobicContact CB-CD1 4.14Å; M100-L105 PolarHBondContact O-N 3Å; L103-L105 HydrophobicContact CB-CB 4.48Å; L103-L105 HydrophobicContact CB-CD1 3.82Å; L103-L105 HydrophobicContact CB-CG 3.84Å; L103-L105 HydrophobicContact CD1-CD1 3.86Å; L105-N107 PolarHBondContact O-N 3.38Å; L105-A108 PolarHBondContact O-N 3.19Å; L105-A108 VanDerWaalsContact O-N 3.12Å; L105-C109 PolarHBondContact O-N 3.39Å; L105-C109 PolarHBondContact O-SG 3.22Å
106	E	91.9	Very high	94.3	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-50.5	-169.7	-169.5	171.7	-165.8	0	0	112.8	R17 Q97 M100 V101 A108 C109 D110 M120	R17-E106 HydrophobicContact CB-CB 4.26Å; R17-E106 HydrophobicContact CG-CG 4.37Å; R17-E106 IonicContact NE-OE1 3.76Å; Q97-E106 PolarHBondContact NE2-OE1 3.37Å; M100-E106 HydrophobicContact CB-CB 4.13Å; V101-E106 WeakPolarHBondContact CG2-OE2 3.31Å; E106-A108 VanDerWaalsContact C-N 3.33Å; E106-A108 PolarHBondContact O-N 3.07Å; E106-C109 PolarHBondContact O-N 3.32Å; E106-D110 WeakPolarHBondContact O-CB 3.5Å; E106-D110 PolarHBondContact O-N 3.09Å; E106-M120 HydrophobicContact CG-CE 4.12Å
107	N	90.5	Very high	94.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-34.3	177.2	-80.5	-15.8	0	0	0	113.2	I14 R17 G18 L105 E111	I14-N107 PolarHBondContact O-ND2 2.8Å; I14-N107 VanDerWaalsContact O-ND2 3.08Å; R17-N107 HydrophobicContact CB-CB 4.32Å; R17-N107 VanDerWaalsContact CB-ND2 3.32Å; R17-N107 WeakPolarHBondContact CB-ND2 3.43Å; R17-N107 WeakPolarHBondContact CB-OD1 3.45Å; R17-N107 WeakPolarHBondContact CD-OD1 3.18Å; R17-N107 PolarHBondContact O-N 3.27Å; G18-N107 PolarHBondContact O-ND2 3.33Å; L105-N107 PolarHBondContact O-N 3.38Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 2.75Å; N107-E111 VanDerWaalsContact O-N 3.09Å
108	A	92.3	Very high	94.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-70.5	-39.3	178.8	0	0	0	0	0	111.6	L28 L105 E106 A112	L28-A108 HydrophobicContact CD1-CB 3.69Å; L105-A108 PolarHBondContact O-N 3.19Å; L105-A108 VanDerWaalsContact O-N 3.12Å; E106-A108 VanDerWaalsContact C-N 3.33Å; E106-A108 PolarHBondContact O-N 3.07Å; A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.39Å; A108-A112 PolarHBondContact O-N 3.12Å
109	C	94.9	Very high	94	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-43.6	173.9	-72.3	0	0	0	0	111.6	L56 M100 L105 E106 A112 T113 M120	L56-C109 HydrophobicContact CD1-CB 4.44Å; M100-C109 HydrophobicContact SD-CB 3.52Å; M100-C109 VanDerWaalsContact SD-CB 3.52Å; L105-C109 PolarHBondContact O-N 3.39Å; L105-C109 PolarHBondContact O-SG 3.22Å; E106-C109 PolarHBondContact O-N 3.32Å; C109-A112 PolarHBondContact O-N 3.4Å; C109-T113 PolarHBondContact O-N 3.29Å; C109-T113 PolarHBondContact O-OG1 2.79Å; C109-M120 HydrophobicContact CB-SD 3.97Å
110	D	93.5	Very high	93.8	Very high	46 Å²	46	30.7 Å²	30.7	25%	0.246	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-51.7	178.1	-165.7	37	0	0	0	111.4	E106 A112 T113 Y114 M120	E106-D110 WeakPolarHBondContact O-CB 3.5Å; E106-D110 PolarHBondContact O-N 3.09Å; D110-A112 PolarHBondContact O-N 3.4Å; D110-T113 PolarHBondContact O-N 3.25Å; D110-T113 PolarHBondContact O-OG1 2.96Å; D110-Y114 VanDerWaalsContact O-CB 3.29Å; D110-Y114 WeakPolarHBondContact O-CB 3.27Å; D110-Y114 PolarHBondContact O-N 3.14Å; D110-M120 HydrophobicContact CB-CE 3.6Å; D110-M120 HydrophobicContact CB-SD 4.27Å
111	E	92.9	Very high	93.6	Very high	49 Å²	49	34.6 Å²	34.6	23%	0.229	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-40.9	177.1	-177.2	60.5	-146.8	0	0	111.9	A20 V25 N107 Y114 Q115	A20-E111 HydrophobicContact CB-CB 4.46Å; V25-E111 HydrophobicContact CG1-CG 4.14Å; V25-E111 HydrophobicContact CG2-CB 4.26Å; V25-E111 HydrophobicContact CG2-CG 4.13Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 2.75Å; N107-E111 VanDerWaalsContact O-N 3.09Å; E111-Y114 PolarHBondContact O-N 3.49Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.47Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.44Å; E111-Q115 PolarHBondContact OE1-NE2 3.12Å
112	A	94.4	Very high	93.5	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-46.5	177	0	0	0	0	0	112	V25 L28 K29 A108 C109 D110 L116	V25-A112 HydrophobicContact CG1-CB 4.21Å; L28-A112 HydrophobicContact CB-CB 3.95Å; L28-A112 HydrophobicContact CD1-CB 4.5Å; K29-A112 HydrophobicContact CG-CB 3.85Å; A108-A112 VanDerWaalsContact O-CB 3.24Å; A108-A112 WeakPolarHBondContact O-CB 3.39Å; A108-A112 PolarHBondContact O-N 3.12Å; C109-A112 PolarHBondContact O-N 3.4Å; D110-A112 PolarHBondContact O-N 3.4Å; A112-L116 VanDerWaalsContact O-CG 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.39Å; A112-L116 PolarHBondContact O-N 3.47Å
113	T	94.8	Very high	93.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-38.6	177.2	44.4	0	0	0	0	112.1	L56 C109 D110 Q115 L116 G117 L118 L123	L56-T113 HydrophobicContact CD1-CG2 4.31Å; L56-T113 HydrophobicContact CD2-CG2 4.19Å; C109-T113 PolarHBondContact O-N 3.29Å; C109-T113 PolarHBondContact O-OG1 2.79Å; D110-T113 PolarHBondContact O-N 3.25Å; D110-T113 PolarHBondContact O-OG1 2.96Å; T113-Q115 PolarHBondContact O-N 3.14Å; T113-L116 CarbonylContact O-C 3.52Å; T113-L116 WeakPolarHBondContact O-CA 3.04Å; T113-L116 WeakPolarHBondContact O-CB 3.29Å; T113-L116 PolarHBondContact O-N 2.85Å; T113-G117 PolarHBondContact O-N 2.99Å; T113-G117 VanDerWaalsContact O-N 3.13Å; T113-L118 CarbonylContact C-O 3.55Å; T113-L118 PolarHBondContact O-N 2.74Å; T113-L123 HydrophobicContact CG2-CD1 4.38Å
114	Y	94.7	Very high	93.5	Very high	164 Å²	164	38.1 Å²	38.1	64%	0.643	20%	0.203	S	C	*	.	H	α-helix	trans	-59.7	-47.1	176.2	176.8	-103.3	0	0	0	111.6	D110 E111 L116 G117	D110-Y114 VanDerWaalsContact O-CB 3.29Å; D110-Y114 WeakPolarHBondContact O-CB 3.27Å; D110-Y114 PolarHBondContact O-N 3.14Å; E111-Y114 PolarHBondContact O-N 3.49Å; Y114-L116 PolarHBondContact O-N 3.4Å; Y114-G117 WeakPolarHBondContact O-CA 3.47Å; Y114-G117 PolarHBondContact O-N 2.73Å
115	Q	94.1	Very high	93.5	Very high	95 Å²	95	40.6 Å²	40.6	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-66.1	-22.3	175.9	-70	-177.6	22.4	0	0	113.5	K29 E111 T113 G117	K29-Q115 HydrophobicContact CD-CB 4.22Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.47Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.44Å; E111-Q115 PolarHBondContact OE1-NE2 3.12Å; T113-Q115 PolarHBondContact O-N 3.14Å; Q115-G117 VanDerWaalsContact C-N 3.27Å
116	L	93.3	Very high	93.7	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.4	170.9	-67	169.1	0	0	0	112.4	K29 F32 R44 A112 T113 Y114 L118	K29-L116 HydrophobicContact CG-CD1 4.23Å; K29-L116 HydrophobicContact CG-CG 4.21Å; F32-L116 HydrophobicContact CB-CD1 4.26Å; F32-L116 HydrophobicContact CD1-CD1 3.56Å; F32-L116 HydrophobicContact CE1-CD1 3.97Å; F32-L116 HydrophobicContact CG-CD1 3.86Å; R44-L116 PolarHBondContact NH2-O 3Å; A112-L116 VanDerWaalsContact O-CG 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.39Å; A112-L116 PolarHBondContact O-N 3.47Å; T113-L116 CarbonylContact O-C 3.52Å; T113-L116 WeakPolarHBondContact O-CA 3.04Å; T113-L116 WeakPolarHBondContact O-CB 3.29Å; T113-L116 PolarHBondContact O-N 2.85Å; Y114-L116 PolarHBondContact O-N 3.4Å; L116-L118 HydrophobicContact CB-CD1 4.43Å
117	G	94.9	Very high	94	Very high	68 Å²	68	41.4 Å²	41.4	70%	0.701	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	29.1	-179.5	0	0	0	0	0	113.6	T113 Y114 Q115	T113-G117 PolarHBondContact O-N 2.99Å; T113-G117 VanDerWaalsContact O-N 3.13Å; Y114-G117 WeakPolarHBondContact O-CA 3.47Å; Y114-G117 PolarHBondContact O-N 2.73Å; Q115-G117 VanDerWaalsContact C-N 3.27Å
118	L	95.8	Very high	94.2	Very high	31 Å²	31	44.8 Å²	44.8	16%	0.162	23%	0.231	C	C	.	.			trans	-120.3	149.3	-178.7	-58.5	173.1	0	0	0	110.5	F32 Y52 T113 L116 L123	F32-L118 HydrophobicContact CE1-CD1 4.17Å; F32-L118 HydrophobicContact CE2-CD1 4.42Å; F32-L118 HydrophobicContact CZ-CD1 3.62Å; Y52-L118 HydrophobicContact CD1-CD1 3.9Å; Y52-L118 HydrophobicContact CD2-CD1 4.19Å; Y52-L118 HydrophobicContact CD2-CD2 3.61Å; Y52-L118 HydrophobicContact CE1-CD1 4.4Å; Y52-L118 HydrophobicContact CE2-CD2 3.77Å; Y52-L118 HydrophobicContact CG-CD1 3.77Å; Y52-L118 HydrophobicContact CG-CD2 4.08Å; T113-L118 CarbonylContact C-O 3.55Å; T113-L118 PolarHBondContact O-N 2.74Å; L116-L118 HydrophobicContact CB-CD1 4.43Å; L118-L123 HydrophobicContact CB-CD1 4.48Å; L118-L123 HydrophobicContact CD1-CD1 4.41Å
119	D	94.2	Very high	94.4	Very high	82 Å²	82	45.3 Å²	45.3	44%	0.439	23%	0.234	S	C	.	.			trans	-96.3	120.6	172	-176.8	-15.1	0	0	0	109.8	E121 E122 L123	D119-E121 PolarHBondContact OD1-N 3.37Å; D119-E122 HydrophobicContact CB-CB 4.21Å; D119-E122 HydrophobicContact CB-CG 3.94Å; D119-E122 PolarHBondContact O-N 3.36Å; D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.44Å
120	M	94.1	Very high	94.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-35.4	-179	-170.8	174.2	61.5	0	0	112.6	L56 M100 E106 C109 D110 E122 L123 Q124	L56-M120 HydrophobicContact CD2-CG 4.24Å; M100-M120 HydrophobicContact CE-CE 4.35Å; M100-M120 HydrophobicContact CE-SD 3.67Å; M100-M120 HydrophobicContact SD-SD 3.91Å; E106-M120 HydrophobicContact CG-CE 4.12Å; C109-M120 HydrophobicContact CB-SD 3.97Å; D110-M120 HydrophobicContact CB-CE 3.6Å; D110-M120 HydrophobicContact CB-SD 4.27Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.35Å; M120-L123 PolarHBondContact O-N 3.38Å; M120-Q124 HydrophobicContact CG-CG 4.37Å; M120-Q124 VanDerWaalsContact O-CG 3.29Å; M120-Q124 WeakPolarHBondContact O-CG 3.43Å; M120-Q124 PolarHBondContact O-N 2.94Å
121	E	91.3	Very high	94.2	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.383	23%	0.228	S	C	.	.	H	α-helix	trans	-64.5	-41	179.6	-67.6	-163.5	-178.3	0	0	110.5	D119 L123 Q124 D125 K545	D119-E121 PolarHBondContact OD1-N 3.37Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 2.97Å; E121-Q124 PolarHBondContact O-N 2.94Å; E121-D125 PolarHBondContact O-N 3.44Å; E121-D125 VanDerWaalsContact O-N 3.08Å; E121-K545 IonicContact OE1-NZ 3.95Å; E121-K545 PolarHBondContact OE1-NZ 3Å; E121-K545 IonicContact OE2-NZ 2.83Å; E121-K545 PolarHBondContact OE2-NZ 3.28Å
122	E	92	Very high	94.1	Very high	89 Å²	89	41.6 Å²	41.6	42%	0.416	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-38	174.3	-69.7	-165.8	147.4	0	0	112.4	K49 D119 M120 D125 I126	K49-E122 WeakPolarHBondContact CE-OE2 3.48Å; K49-E122 IonicContact NZ-OE1 2.73Å; K49-E122 PolarHBondContact NZ-OE1 2.89Å; K49-E122 IonicContact NZ-OE2 3.08Å; K49-E122 PolarHBondContact NZ-OE2 3.42Å; D119-E122 HydrophobicContact CB-CB 4.21Å; D119-E122 HydrophobicContact CB-CG 3.94Å; D119-E122 PolarHBondContact O-N 3.36Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.35Å; E122-D125 PolarHBondContact O-N 3.12Å; E122-I126 WeakPolarHBondContact O-CG1 3.34Å
123	L	95.9	Very high	93.8	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-71	-38	178.2	-61.8	-175.4	0	0	0	112	K49 Y53 L56 T113 L118 D119 M120 E121 D125 I126	K49-L123 HydrophobicContact CB-CD2 4.42Å; K49-L123 WeakPolarHBondContact O-CD2 3.47Å; Y53-L123 WeakPolarHBondContact CD2-O 3.15Å; L56-L123 HydrophobicContact CD2-CD1 4.22Å; T113-L123 HydrophobicContact CG2-CD1 4.38Å; L118-L123 HydrophobicContact CB-CD1 4.48Å; L118-L123 HydrophobicContact CD1-CD1 4.41Å; D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.44Å; M120-L123 PolarHBondContact O-N 3.38Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 2.97Å; L123-D125 PolarHBondContact O-N 2.79Å; L123-I126 HydrophobicContact CD2-CD1 4.2Å; L123-I126 WeakPolarHBondContact O-CB 3.47Å; L123-I126 PolarHBondContact O-N 3.14Å
124	Q	94.1	Very high	93.1	Very high	21 Å²	21	42.7 Å²	42.7	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-34.1	174.8	-71	170.5	-0.6	0	0	111.5	R94 L96 M120 E121 I126 E127	R94-Q124 PolarHBondContact NH1-O 3.33Å; L96-Q124 HydrophobicContact CD2-CG 4.16Å; M120-Q124 HydrophobicContact CG-CG 4.37Å; M120-Q124 VanDerWaalsContact O-CG 3.29Å; M120-Q124 WeakPolarHBondContact O-CG 3.43Å; M120-Q124 PolarHBondContact O-N 2.94Å; E121-Q124 PolarHBondContact O-N 2.94Å; Q124-I126 PolarHBondContact O-N 3.18Å; Q124-E127 PolarHBondContact O-N 3.35Å
125	D	92.3	Very high	92.7	Very high	71 Å²	71	35.8 Å²	35.8	38%	0.38	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.9	178.4	-89.9	-26	0	0	0	114.7	R94 E121 E122 L123 K656	R94-D125 IonicContact CZ-OD1 3.35Å; R94-D125 IonicContact NH1-OD1 3.52Å; R94-D125 PolarHBondContact NH1-OD1 3.29Å; R94-D125 PolarHBondContact NH2-O 2.85Å; R94-D125 IonicContact NH2-OD1 2.7Å; E121-D125 PolarHBondContact O-N 3.44Å; E121-D125 VanDerWaalsContact O-N 3.08Å; E122-D125 PolarHBondContact O-N 3.12Å; L123-D125 PolarHBondContact O-N 2.79Å; D125-K656 IonicContact OD1-NZ 3.51Å; D125-K656 PolarHBondContact OD1-NZ 2.95Å; D125-K656 IonicContact OD2-NZ 3.39Å
126	I	96.4	Very high	92.3	Very high	33 Å²	33	33.3 Å²	33.3	17%	0.169	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.6	175.4	-61.2	166.4	0	0	0	112.3	K49 R50 Y53 E122 L123 Q124 E128	K49-I126 VanDerWaalsContact C-CD1 3.42Å; K49-I126 HydrophobicContact CB-CD1 3.39Å; K49-I126 WeakPolarHBondContact O-CD1 3.38Å; R50-I126 HydrophobicContact CB-CG2 4.15Å; R50-I126 HydrophobicContact CG-CG2 4.16Å; Y53-I126 HydrophobicContact CD1-CG2 4.3Å; Y53-I126 HydrophobicContact CG-CB 4.38Å; Y53-I126 HydrophobicContact CG-CG2 4.32Å; E122-I126 WeakPolarHBondContact O-CG1 3.34Å; L123-I126 HydrophobicContact CD2-CD1 4.2Å; L123-I126 WeakPolarHBondContact O-CB 3.47Å; L123-I126 PolarHBondContact O-N 3.14Å; Q124-I126 PolarHBondContact O-N 3.18Å; I126-E128 PolarHBondContact O-N 2.85Å
127	E	97.6	Very high	92.1	Very high	7 Å²	7	34 Å²	34	3%	0.033	21%	0.205	C	C	.	.	S	Bend	trans	-63.4	129.7	178.2	-172.6	172	-165.7	0	0	110.2	Y53 R94 T95 L96 Q124 W190	Y53-E127 HydrophobicContact CD2-CB 4.41Å; Y53-E127 HydrophobicContact CE2-CB 3.64Å; Y53-E127 HydrophobicContact CE2-CG 4.02Å; Y53-E127 WeakPolarHBondContact OH-CG 3.5Å; R94-E127 HydrophobicContact CB-CG 4.2Å; R94-E127 WeakPolarHBondContact CB-OE2 3.48Å; R94-E127 HydrophobicContact CG-CB 4Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 3.22Å; R94-E127 PolarHBondContact NH2-O 3.09Å; R94-E127 VanDerWaalsContact NH2-O 3.11Å; T95-E127 VanDerWaalsContact N-CD 3.32Å; T95-E127 PolarHBondContact N-OE1 3.2Å; T95-E127 PolarHBondContact N-OE2 2.78Å; L96-E127 WeakPolarHBondContact CB-OE2 3.5Å; L96-E127 PolarHBondContact N-OE1 2.82Å; L96-E127 PolarHBondContact N-OE2 2.65Å; Q124-E127 PolarHBondContact O-N 3.35Å; E127-W190 PolarHBondContact OE1-NE1 3.16Å
128	E	95.8	Very high	91.9	Very high	73 Å²	73	30.8 Å²	30.8	34%	0.341	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-78.2	143	173.2	-56.4	-67.1	175	0	0	109.5	R50 I126 A130 W183	R50-E128 IonicContact NH2-OE1 2.77Å; I126-E128 PolarHBondContact O-N 2.85Å; E128-A130 PolarHBondContact O-N 3.12Å; E128-W183 HydrophobicContact CB-CB 4.34Å
129	D	95	Very high	92	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-66.2	131.5	172.3	-75.4	47.6	0	0	0	109.5	R94 G131 R650 T652	R94-D129 IonicContact NE-OD1 3.37Å; D129-G131 PolarHBondContact O-N 3.35Å; D129-R650 IonicContact OD1-NE 2.7Å; D129-T652 VanDerWaalsContact CG-OG1 3.22Å; D129-T652 VanDerWaalsContact OD1-CB 3.22Å; D129-T652 WeakPolarHBondContact OD1-CB 3.08Å; D129-T652 PolarHBondContact OD1-OG1 2.94Å; D129-T652 PolarHBondContact OD2-N 2.86Å; D129-T652 PolarHBondContact OD2-OG1 3.24Å
130	A	94.4	Very high	92	Very high	13 Å²	13	26.1 Å²	26.1	11%	0.107	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	82.5	162.4	0	0	0	0	0	109.3	M92 G93 E128 L132 W183	M92-A130 HydrophobicContact CB-CB 4.1Å; M92-A130 PolarHBondContact N-O 3.38Å; G93-A130 PolarHBondContact O-N 2.93Å; E128-A130 PolarHBondContact O-N 3.12Å; A130-L132 PolarHBondContact O-N 3.15Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.36Å; A130-W183 HydrophobicContact CB-CZ3 3.8Å
131	G	90.1	Very high	92.2	Very high	2 Å²	2	26 Å²	26	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	39.5	-175.1	0	0	0	0	0	115.1	D129 G133 G165 I166	D129-G131 PolarHBondContact O-N 3.35Å; G131-G133 PolarHBondContact O-N 3.04Å; G131-G165 WeakPolarHBondContact O-CA 3.41Å; G131-I166 PolarHBondContact O-N 2.91Å
132	L	91.4	Very high	92.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	26.7	-173.6	-51.9	174.4	0	0	0	113.2	E89 F90 A130 Y162 W183 L244	E89-L132 CarbonylContact C-O 3Å; E89-L132 VanDerWaalsContact CA-O 3.26Å; E89-L132 WeakPolarHBondContact CA-O 3.39Å; F90-L132 PolarHBondContact N-O 3.19Å; F90-L132 CarbonylContact O-C 3.59Å; F90-L132 WeakPolarHBondContact O-CB 3.01Å; A130-L132 PolarHBondContact O-N 3.15Å; L132-Y162 HydrophobicContact CD2-CD2 4.21Å; L132-W183 HydrophobicContact CD1-CH2 4.28Å; L132-W183 HydrophobicContact CD1-CZ2 4.13Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.21Å; L132-L244 HydrophobicContact CD1-CD1 3.41Å; L132-L244 VanDerWaalsContact CD1-CD1 3.41Å
133	G	87.9	Confident	92.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.			trans	-159.7	157.7	177.1	0	0	0	0	0	111.3	G131	G131-G133 PolarHBondContact O-N 3.04Å
134	N	80.8	Confident	92.9	Very high	30 Å²	30	17.9 Å²	17.9	16%	0.16	11%	0.108	C	C	.	.			trans	-94.4	-26.7	-172.7	-72.9	-51.9	0	0	0	113.6	E89 I166 Y281	E89-N134 WeakPolarHBondContact OE1-CB 3.44Å; E89-N134 PolarHBondContact OE1-ND2 3.36Å; E89-N134 PolarHBondContact OE2-N 3.15Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.5Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.16Å; N134-Y281 WeakPolarHBondContact ND2-CE2 2.92Å
135	G	84.4	Confident	93.1	Very high	18 Å²	18	17.1 Å²	17.1	19%	0.186	11%	0.105	C	C	.	.	S	Bend	trans	-175.3	-136	-170.1	0	0	0	0	0	114.8	L137 R139	G135-L137 PolarHBondContact O-N 2.93Å; G135-R139 WeakPolarHBondContact O-CB 3.36Å; G135-R139 PolarHBondContact O-N 3.18Å
136	G	85.8	Confident	93.4	Very high	44 Å²	44	14.1 Å²	14.1	45%	0.454	9%	0.089	S	C	.	.	H	α-helix	trans	-59.8	-42.1	-171.9	0	0	0	0	0	113.9	R139 L140	G136-R139 PolarHBondContact O-N 3.5Å; G136-L140 VanDerWaalsContact O-CB 3.31Å; G136-L140 WeakPolarHBondContact O-CB 3.33Å; G136-L140 PolarHBondContact O-N 2.96Å
137	L	89.6	Confident	93.5	Very high	28 Å²	28	12.6 Å²	12.6	15%	0.147	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-54.7	-179.8	-176.5	151.8	0	0	0	111.7	E89 G135 R139 L140 A141 N339 D340	E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.23Å; G135-L137 PolarHBondContact O-N 2.93Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.02Å; L137-L140 WeakPolarHBondContact O-CB 3.05Å; L137-L140 PolarHBondContact O-N 2.83Å; L137-A141 PolarHBondContact O-N 2.93Å; L137-A141 VanDerWaalsContact O-N 3.13Å; L137-N339 VanDerWaalsContact CD2-ND2 3.34Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.44Å; L137-D340 HydrophobicContact CD1-CB 3.82Å
138	G	91.3	Very high	93.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-34	176.3	0	0	0	0	0	113.7	E89 Y91 A142	E89-G138 VanDerWaalsContact CB-CA 3.48Å; E89-G138 PolarHBondContact OE2-N 2.73Å; Y91-G138 PolarHBondContact N-O 2.77Å; G138-A142 PolarHBondContact O-N 2.86Å; G138-A142 VanDerWaalsContact O-N 3.17Å
139	R	96.7	Very high	93.7	Very high	12 Å²	12	8.8 Å²	8.8	5%	0.045	6%	0.063	C	C	.	.	H	α-helix	trans	-73.8	-32.3	178.3	-169.8	56.9	-111.3	-173.4	-6.4	112.7	Y91 M92 G135 G136 L137 A142 C143 W492	Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.43Å; Y91-R139 PolarHBondContact O-NH1 3.46Å; M92-R139 PolarHBondContact O-NH1 2.98Å; G135-R139 WeakPolarHBondContact O-CB 3.36Å; G135-R139 PolarHBondContact O-N 3.18Å; G136-R139 PolarHBondContact O-N 3.5Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.02Å; R139-A142 VanDerWaalsContact CZ-CB 3.48Å; R139-A142 PolarHBondContact O-N 2.96Å; R139-C143 PolarHBondContact O-N 3.42Å; R139-C143 PolarHBondContact O-SG 2.91Å; R139-C143 VanDerWaalsContact O-SG 3.34Å; R139-W492 HydrophobicContact CG-CZ2 4.09Å
140	L	95.5	Very high	93.8	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-49.3	172.1	-176.8	72.5	0	0	0	110.2	G136 L137 A142 C143 F144 N485 T677	G136-L140 VanDerWaalsContact O-CB 3.31Å; G136-L140 WeakPolarHBondContact O-CB 3.33Å; G136-L140 PolarHBondContact O-N 2.96Å; L137-L140 WeakPolarHBondContact O-CB 3.05Å; L137-L140 PolarHBondContact O-N 2.83Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.46Å; L140-C143 PolarHBondContact O-N 2.91Å; L140-F144 HydrophobicContact CD1-CD1 4.09Å; L140-F144 HydrophobicContact CD1-CE1 3.4Å; L140-F144 VanDerWaalsContact CD1-CE1 3.4Å; L140-F144 HydrophobicContact CD1-CE2 4.34Å; L140-F144 HydrophobicContact CD1-CZ 3.55Å; L140-F144 HydrophobicContact CD2-CE2 4.01Å; L140-F144 HydrophobicContact CD2-CZ 3.86Å; L140-F144 HydrophobicContact CG-CD1 4.25Å; L140-F144 HydrophobicContact CG-CD2 4.33Å; L140-F144 HydrophobicContact CG-CE1 3.81Å; L140-F144 HydrophobicContact CG-CE2 3.9Å; L140-F144 HydrophobicContact CG-CZ 3.62Å; L140-F144 WeakPolarHBondContact O-CG 3.4Å; L140-F144 PolarHBondContact O-N 2.75Å; L140-N485 HydrophobicContact CD1-CB 3.96Å; L140-N485 WeakPolarHBondContact CD1-OD1 3.4Å; L140-N485 VanDerWaalsContact CD2-OD1 3.22Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.41Å; L140-T677 HydrophobicContact CD1-CG2 4.36Å
141	A	96.9	Very high	94	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-54	-44.9	175.8	0	0	0	0	0	111.6	Y85 F90 L137 F144 L145	Y85-A141 HydrophobicContact CD1-CB 4.37Å; Y85-A141 HydrophobicContact CE1-CB 3.66Å; F90-A141 HydrophobicContact CD1-CB 3.78Å; F90-A141 HydrophobicContact CE1-CB 3.77Å; L137-A141 PolarHBondContact O-N 2.93Å; L137-A141 VanDerWaalsContact O-N 3.13Å; A141-F144 WeakPolarHBondContact O-CB 3.42Å; A141-F144 PolarHBondContact O-N 3.46Å; A141-L145 WeakPolarHBondContact O-CG 3.36Å; A141-L145 PolarHBondContact O-N 3.41Å
142	A	97.8	Very high	94.3	Very high	3 Å²	3	9.7 Å²	9.7	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-38.8	176.2	0	0	0	0	0	113.5	M92 G138 R139 L140 D146	M92-A142 HydrophobicContact SD-CB 3.53Å; M92-A142 VanDerWaalsContact SD-CB 3.53Å; G138-A142 PolarHBondContact O-N 2.86Å; G138-A142 VanDerWaalsContact O-N 3.17Å; R139-A142 VanDerWaalsContact CZ-CB 3.48Å; R139-A142 PolarHBondContact O-N 2.96Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.46Å; A142-D146 PolarHBondContact O-N 2.95Å
143	C	98.4	Very high	94.6	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-67.6	-35.6	173.6	-68.9	0	0	0	0	112.4	R139 L140 D146 S147 T488	R139-C143 PolarHBondContact O-N 3.42Å; R139-C143 PolarHBondContact O-SG 2.91Å; R139-C143 VanDerWaalsContact O-SG 3.34Å; L140-C143 PolarHBondContact O-N 2.91Å; C143-D146 PolarHBondContact O-N 3.49Å; C143-S147 PolarHBondContact O-N 2.88Å; C143-S147 PolarHBondContact O-OG 3.04Å; C143-T488 HydrophobicContact CB-CG2 4.14Å
144	F	98.6	Very high	95.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.4	-41.9	176.4	-76.9	5.1	0	0	0	111.6	Y85 L140 A141 D146 S147 M148 T817 I818 Y821	Y85-F144 AromaticContact CE2-CD2 3.77Å; Y85-F144 HydrophobicContact CE2-CD2 3.77Å; Y85-F144 HydrophobicContact CE2-CE2 4.27Å; Y85-F144 AromaticContact CZ-CD2 3.82Å; L140-F144 HydrophobicContact CD1-CD1 4.09Å; L140-F144 HydrophobicContact CD1-CE1 3.4Å; L140-F144 VanDerWaalsContact CD1-CE1 3.4Å; L140-F144 HydrophobicContact CD1-CE2 4.34Å; L140-F144 HydrophobicContact CD1-CZ 3.55Å; L140-F144 HydrophobicContact CD2-CE2 4.01Å; L140-F144 HydrophobicContact CD2-CZ 3.86Å; L140-F144 HydrophobicContact CG-CD1 4.25Å; L140-F144 HydrophobicContact CG-CD2 4.33Å; L140-F144 HydrophobicContact CG-CE1 3.81Å; L140-F144 HydrophobicContact CG-CE2 3.9Å; L140-F144 HydrophobicContact CG-CZ 3.62Å; L140-F144 WeakPolarHBondContact O-CG 3.4Å; L140-F144 PolarHBondContact O-N 2.75Å; A141-F144 WeakPolarHBondContact O-CB 3.42Å; A141-F144 PolarHBondContact O-N 3.46Å; F144-D146 PolarHBondContact O-N 2.81Å; F144-S147 PolarHBondContact O-N 3.15Å; F144-M148 HydrophobicContact CB-CE 4.37Å; F144-M148 WeakPolarHBondContact O-CB 3.27Å; F144-M148 VanDerWaalsContact O-CG 3.29Å; F144-M148 WeakPolarHBondContact O-CG 3.44Å; F144-M148 PolarHBondContact O-N 3.35Å; F144-T817 HydrophobicContact CE1-CG2 3.67Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; F144-I818 HydrophobicContact CB-CD1 3.82Å; F144-I818 HydrophobicContact CB-CG1 4.36Å; F144-I818 HydrophobicContact CD1-CD1 3.84Å; F144-I818 HydrophobicContact CD1-CG1 4.05Å; F144-I818 HydrophobicContact CD2-CD1 3.87Å; F144-I818 HydrophobicContact CE1-CD1 4.34Å; F144-I818 HydrophobicContact CE2-CD1 4.37Å; F144-I818 HydrophobicContact CG-CD1 3.58Å; F144-I818 HydrophobicContact CG-CG1 4.21Å; F144-Y821 HydrophobicContact CE2-CE2 4.15Å; F144-Y821 HydrophobicContact CZ-CE2 4.08Å
145	L	98.6	Very high	95.9	Very high	5 Å²	5	8.5 Å²	8.5	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-57.3	-47.8	174.9	-70	-178.4	0	0	0	112.3	F90 M92 A141 S147 M148 A149 V231 M242	F90-L145 HydrophobicContact CD1-CD1 3.58Å; F90-L145 HydrophobicContact CD1-CG 4.34Å; F90-L145 HydrophobicContact CE1-CD1 3.58Å; F90-L145 HydrophobicContact CE1-CD2 4.33Å; F90-L145 HydrophobicContact CE1-CG 4.01Å; M92-L145 HydrophobicContact SD-CD1 4.26Å; A141-L145 WeakPolarHBondContact O-CG 3.36Å; A141-L145 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.64Å; L145-M148 HydrophobicContact CD2-CE 3.71Å; L145-M148 HydrophobicContact CG-CE 4.49Å; L145-M148 PolarHBondContact O-N 2.91Å; L145-A149 PolarHBondContact O-N 3.46Å; L145-A149 VanDerWaalsContact O-N 3.08Å; L145-V231 HydrophobicContact CB-CG1 3.96Å; L145-V231 HydrophobicContact CB-CG2 4.48Å; L145-V231 HydrophobicContact CD1-CG2 4.4Å; L145-M242 HydrophobicContact CD1-CB 4.05Å; L145-M242 HydrophobicContact CD1-CG 4.01Å; L145-M242 HydrophobicContact CD1-SD 3.81Å
146	D	98.6	Very high	96.6	Very high	9 Å²	9	7.8 Å²	7.8	5%	0.048	6%	0.057	C	C	.	.	H	α-helix	trans	-62.4	-38.6	177.8	175.3	89	0	0	0	112.2	N102 A142 C143 F144 S150 T488 R490	N102-D146 PolarHBondContact ND2-OD1 3.09Å; A142-D146 PolarHBondContact O-N 2.95Å; C143-D146 PolarHBondContact O-N 3.49Å; F144-D146 PolarHBondContact O-N 2.81Å; D146-S150 WeakPolarHBondContact O-CB 3.19Å; D146-S150 PolarHBondContact O-N 3.22Å; D146-S150 PolarHBondContact O-OG 3.06Å; D146-T488 VanDerWaalsContact OD2-CB 3.32Å; D146-T488 WeakPolarHBondContact OD2-CB 3.46Å; D146-T488 PolarHBondContact OD2-OG1 3.39Å; D146-R490 IonicContact OD2-CZ 3.29Å; D146-R490 IonicContact OD2-NE 3.52Å; D146-R490 PolarHBondContact OD2-NE 2.82Å; D146-R490 IonicContact OD2-NH2 3.2Å; D146-R490 PolarHBondContact OD2-NH2 2.84Å
147	S	98.6	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-72.8	-42.7	178.6	-51.7	0	0	0	0	112.3	C143 F144 L145 A149 S150 L151 R490 S814 D815	C143-S147 PolarHBondContact O-N 2.88Å; C143-S147 PolarHBondContact O-OG 3.04Å; F144-S147 PolarHBondContact O-N 3.15Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.64Å; S147-A149 VanDerWaalsContact C-N 3.27Å; S147-A149 PolarHBondContact O-N 2.71Å; S147-S150 PolarHBondContact O-N 3.32Å; S147-S150 VanDerWaalsContact O-N 3.15Å; S147-L151 VanDerWaalsContact O-CB 3.3Å; S147-L151 WeakPolarHBondContact O-CB 3.47Å; S147-L151 VanDerWaalsContact O-CG 3.3Å; S147-L151 WeakPolarHBondContact O-CG 3.38Å; S147-L151 PolarHBondContact O-N 3.11Å; S147-R490 PolarHBondContact OG-NH2 3.04Å; S147-S814 VanDerWaalsContact OG-CB 3.26Å; S147-S814 WeakPolarHBondContact OG-CB 3.25Å; S147-S814 PolarHBondContact OG-OG 3.35Å; S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.23Å; S147-D815 PolarHBondContact OG-OD1 2.95Å
148	M	98.6	Very high	97.6	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-60.6	-38.2	175.5	-72.1	-175.4	-66.9	0	0	111.7	V83 F144 L145 G152 L153 A155 I818 W826	V83-M148 HydrophobicContact CG1-SD 4.37Å; F144-M148 HydrophobicContact CB-CE 4.37Å; F144-M148 WeakPolarHBondContact O-CB 3.27Å; F144-M148 VanDerWaalsContact O-CG 3.29Å; F144-M148 WeakPolarHBondContact O-CG 3.44Å; F144-M148 PolarHBondContact O-N 3.35Å; L145-M148 HydrophobicContact CD2-CE 3.71Å; L145-M148 HydrophobicContact CG-CE 4.49Å; L145-M148 PolarHBondContact O-N 2.91Å; M148-G152 PolarHBondContact O-N 3.39Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.22Å; M148-L153 PolarHBondContact O-N 3.46Å; M148-A155 HydrophobicContact CB-CB 3.77Å; M148-A155 HydrophobicContact CE-CB 4.07Å; M148-A155 HydrophobicContact CG-CB 4.07Å; M148-A155 HydrophobicContact SD-CB 3.4Å; M148-A155 WeakPolarHBondContact SD-CB 3.45Å; M148-I818 HydrophobicContact CG-CD1 4.02Å; M148-I818 HydrophobicContact CG-CG1 4.19Å; M148-I818 HydrophobicContact CG-CG2 3.68Å; M148-I818 HydrophobicContact SD-CD1 4.47Å; M148-W826 HydrophobicContact SD-CH2 4Å; M148-W826 HydrophobicContact SD-CZ3 4.09Å
149	A	98.1	Very high	98	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69	-41.4	173.8	0	0	0	0	0	112.2	L145 S147 L151 G152 V231 N236 N240	L145-A149 PolarHBondContact O-N 3.46Å; L145-A149 VanDerWaalsContact O-N 3.08Å; S147-A149 VanDerWaalsContact C-N 3.27Å; S147-A149 PolarHBondContact O-N 2.71Å; A149-L151 VanDerWaalsContact C-N 3.31Å; A149-L151 PolarHBondContact O-N 2.93Å; A149-G152 PolarHBondContact O-N 3.32Å; A149-V231 HydrophobicContact CB-CG1 4.12Å; A149-V231 WeakPolarHBondContact CB-O 3.3Å; A149-N236 PolarHBondContact O-ND2 2.79Å; A149-N240 WeakPolarHBondContact CA-ND2 3.43Å; A149-N240 HydrophobicContact CB-CB 4.24Å
150	S	98	Very high	98	Very high	13 Å²	13	3.9 Å²	3.9	9%	0.091	3%	0.027	C	C	.	.	H	α-helix	trans	-67.1	-31.3	179.2	-60.5	0	0	0	0	113.1	D146 S147 G152 Y234 N236	D146-S150 WeakPolarHBondContact O-CB 3.19Å; D146-S150 PolarHBondContact O-N 3.22Å; D146-S150 PolarHBondContact O-OG 3.06Å; S147-S150 PolarHBondContact O-N 3.32Å; S147-S150 VanDerWaalsContact O-N 3.15Å; S150-G152 VanDerWaalsContact C-N 3.34Å; S150-Y234 PolarHBondContact OG-N 3.47Å; S150-N236 WeakPolarHBondContact CA-ND2 3.32Å; S150-N236 PolarHBondContact O-ND2 3.15Å
151	L	97.8	Very high	98.1	Very high	13 Å²	13	5.1 Å²	5.1	7%	0.068	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	9.7	177	-67.1	173.8	0	0	0	114	S147 A149 L153 D815 I818 P830 S831 L832	S147-L151 VanDerWaalsContact O-CB 3.3Å; S147-L151 WeakPolarHBondContact O-CB 3.47Å; S147-L151 VanDerWaalsContact O-CG 3.3Å; S147-L151 WeakPolarHBondContact O-CG 3.38Å; S147-L151 PolarHBondContact O-N 3.11Å; A149-L151 VanDerWaalsContact C-N 3.31Å; A149-L151 PolarHBondContact O-N 2.93Å; L151-L153 HydrophobicContact CB-CD1 4.47Å; L151-L153 HydrophobicContact CB-CG 4.25Å; L151-L153 PolarHBondContact O-N 3.23Å; L151-L153 VanDerWaalsContact O-N 3.14Å; L151-D815 HydrophobicContact CD1-CB 4.18Å; L151-D815 WeakPolarHBondContact CD1-O 3.34Å; L151-D815 HydrophobicContact CD2-CB 4.41Å; L151-D815 HydrophobicContact CG-CB 4.47Å; L151-I818 HydrophobicContact CD1-CB 3.98Å; L151-I818 HydrophobicContact CD1-CG2 3.65Å; L151-P830 HydrophobicContact CB-CB 4.18Å; L151-P830 HydrophobicContact CD2-CB 4.19Å; L151-S831 CarbonylContact C-O 3.54Å; L151-S831 PolarHBondContact O-N 3.29Å; L151-L832 HydrophobicContact CD2-CD2 4.05Å
152	G	96.9	Very high	98.1	Very high	19 Å²	19	5.1 Å²	5.1	20%	0.196	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	25.1	175.9	0	0	0	0	0	115.8	M148 A149 S150	M148-G152 PolarHBondContact O-N 3.39Å; A149-G152 PolarHBondContact O-N 3.32Å; S150-G152 VanDerWaalsContact C-N 3.34Å
153	L	97.8	Very high	97.9	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	5%	0.045	C	C	.	.			trans	-79.2	135.2	177.3	-61.2	175.8	0	0	0	110	Y75 M148 L151 A155 N240 I818 A822 W826 M828	Y75-L153 PolarHBondContact OH-O 3.44Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.22Å; M148-L153 PolarHBondContact O-N 3.46Å; L151-L153 HydrophobicContact CB-CD1 4.47Å; L151-L153 HydrophobicContact CB-CG 4.25Å; L151-L153 PolarHBondContact O-N 3.23Å; L151-L153 VanDerWaalsContact O-N 3.14Å; L153-A155 HydrophobicContact CB-CB 4.48Å; L153-A155 PolarHBondContact O-N 3.11Å; L153-N240 PolarHBondContact O-ND2 3.13Å; L153-N240 PolarHBondContact O-OD1 2.64Å; L153-I818 HydrophobicContact CD1-CG2 3.47Å; L153-I818 VanDerWaalsContact CD1-CG2 3.47Å; L153-A822 HydrophobicContact CD1-CB 4.02Å; L153-A822 HydrophobicContact CD2-CB 4.32Å; L153-W826 HydrophobicContact CD1-CZ3 4.46Å; L153-M828 HydrophobicContact CD2-CB 4.33Å; L153-M828 HydrophobicContact CD2-CE 4.14Å
154	A	97.6	Very high	97.5	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.033	6%	0.056	C	C	.	.			trans	-72.5	73.6	173.4	0	0	0	0	0	111.2	Y75 P80 R82 V83	Y75-A154 HydrophobicContact CD1-CB 3.86Å; Y75-A154 HydrophobicContact CD2-CB 4.05Å; Y75-A154 HydrophobicContact CE1-CB 3.83Å; Y75-A154 HydrophobicContact CE2-CB 4Å; Y75-A154 HydrophobicContact CG-CB 3.99Å; P80-A154 HydrophobicContact CB-CB 4.43Å; P80-A154 HydrophobicContact CG-CB 3.61Å; R82-A154 VanDerWaalsContact CA-O 3.28Å; R82-A154 WeakPolarHBondContact CA-O 3.45Å; R82-A154 HydrophobicContact CG-CB 4.23Å; V83-A154 PolarHBondContact N-O 3.48Å
155	A	97.9	Very high	96.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.3	-171.3	0	0	0	0	0	113	V83 M148 L153	V83-A155 HydrophobicContact CB-CB 4.26Å; V83-A155 CarbonylContact O-C 3.48Å; V83-A155 WeakPolarHBondContact O-CA 3.43Å; M148-A155 HydrophobicContact CB-CB 3.77Å; M148-A155 HydrophobicContact CE-CB 4.07Å; M148-A155 HydrophobicContact CG-CB 4.07Å; M148-A155 HydrophobicContact SD-CB 3.4Å; M148-A155 WeakPolarHBondContact SD-CB 3.45Å; L153-A155 HydrophobicContact CB-CB 4.48Å; L153-A155 PolarHBondContact O-N 3.11Å
156	Y	98.8	Very high	96.3	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.012	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.8	179.4	-59.6	-96.7	0	0	0	110.1	Q72 R82 V83 Y84 Y85 Y158 T241	Q72-Y156 PolarHBondContact OE1-OH 3.26Å; R82-Y156 HydrophobicContact CB-CE2 4.42Å; R82-Y156 HydrophobicContact CG-CE2 4.19Å; V83-Y156 PolarHBondContact O-N 3.47Å; Y84-Y156 HydrophobicContact CD1-CD2 4.09Å; Y84-Y156 HydrophobicContact CD1-CG 4.26Å; Y84-Y156 AromaticContact CE1-CD2 3.59Å; Y84-Y156 HydrophobicContact CE1-CD2 3.59Å; Y84-Y156 HydrophobicContact CE1-CE2 4.29Å; Y84-Y156 AromaticContact CE1-CG 3.97Å; Y84-Y156 HydrophobicContact CE1-CG 3.97Å; Y85-Y156 PolarHBondContact N-O 2.73Å; Y156-Y158 HydrophobicContact CG-CE2 4.35Å; Y156-T241 WeakPolarHBondContact CA-O 3.38Å
157	G	98.6	Very high	95.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.7	167.2	0	0	0	0	0	110.4	T241 M242 R243	G157-T241 PolarHBondContact N-O 2.9Å; G157-T241 VanDerWaalsContact N-O 3.16Å; G157-M242 CarbonylContact O-C 3.45Å; G157-M242 WeakPolarHBondContact O-CA 3.41Å; G157-R243 PolarHBondContact O-N 3.27Å
158	Y	98.9	Very high	95.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.9	175.7	-82.9	-95.5	0	0	0	111.1	Y84 Y85 S87 F90 Y156 R243 W245 T304 D307 R311	Y84-Y158 HydrophobicContact CD1-CD2 4.01Å; Y84-Y158 AromaticContact CD1-CE2 3.52Å; Y84-Y158 HydrophobicContact CD1-CE2 3.52Å; Y84-Y158 AromaticContact CE1-CE2 3.94Å; Y84-Y158 HydrophobicContact CE1-CE2 3.94Å; Y85-Y158 PolarHBondContact O-N 2.6Å; S87-Y158 PolarHBondContact N-O 2.94Å; S87-Y158 VanDerWaalsContact O-O 3.13Å; F90-Y158 WeakPolarHBondContact CE2-O 3.33Å; Y156-Y158 HydrophobicContact CG-CE2 4.35Å; Y158-R243 WeakPolarHBondContact CA-O 3.23Å; Y158-R243 HydrophobicContact CD1-CB 4.02Å; Y158-R243 HydrophobicContact CD1-CG 4.05Å; Y158-R243 HydrophobicContact CE1-CB 3.9Å; Y158-R243 HydrophobicContact CE1-CG 3.75Å; Y158-W245 HydrophobicContact CD1-CZ2 4.19Å; Y158-W245 AromaticContact CD1-NE1 3.55Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.22Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.15Å; Y158-T304 HydrophobicContact CD2-CG2 3.94Å; Y158-T304 HydrophobicContact CE1-CG2 3.93Å; Y158-T304 HydrophobicContact CE2-CG2 4.38Å; Y158-T304 HydrophobicContact CG-CG2 3.46Å; Y158-T304 VanDerWaalsContact CG-CG2 3.46Å; Y158-D307 PolarHBondContact OH-OD2 3.03Å; Y158-R311 PolarHBondContact OH-NH1 2.82Å; Y158-R311 PolarHBondContact OH-NH2 2.95Å; Y158-R311 VanDerWaalsContact OH-NH2 3.08Å
159	G	98.3	Very high	95.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	-163.9	-178.4	0	0	0	0	0	113.2	S87 R243 L244 W245	S87-G159 VanDerWaalsContact O-CA 3.23Å; S87-G159 WeakPolarHBondContact O-CA 3.31Å; G159-R243 PolarHBondContact N-O 3.09Å; G159-R243 VanDerWaalsContact N-O 3.1Å; G159-L244 WeakPolarHBondContact O-CA 3.29Å; G159-W245 PolarHBondContact O-N 3.14Å
160	I	98.1	Very high	95.5	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.015	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.7	178.9	-59	-179.7	0	0	0	109.5	Y162 Q296 V300	I160-Y162 HydrophobicContact CB-CD1 4.47Å; I160-Y162 HydrophobicContact CB-CD2 4.31Å; I160-Y162 HydrophobicContact CB-CE1 4.01Å; I160-Y162 HydrophobicContact CB-CE2 3.82Å; I160-Y162 HydrophobicContact CD1-CE1 4.31Å; I160-Y162 HydrophobicContact CG2-CD1 3.83Å; I160-Y162 HydrophobicContact CG2-CD2 4.39Å; I160-Y162 HydrophobicContact CG2-CE1 3.66Å; I160-Y162 HydrophobicContact CG2-CE2 4.23Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 3.09Å; I160-Q296 HydrophobicContact CD1-CB 3.78Å; I160-Q296 HydrophobicContact CD1-CG 4.19Å; I160-Q296 WeakPolarHBondContact CD1-O 3.48Å; I160-V300 HydrophobicContact CD1-CB 4.25Å; I160-V300 HydrophobicContact CG1-CB 3.88Å; I160-V300 HydrophobicContact CG1-CG2 4.35Å
161	R	97.8	Very high	95.4	Very high	29 Å²	29	19 Å²	19	11%	0.109	10%	0.095	C	C	.	.			trans	-86	82.8	172.1	-173.1	-178.5	174.2	-80.8	7.2	108.5	E163 L184 E191 Y227 L244 W245	R161-E163 PolarHBondContact O-N 3.24Å; R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.32Å; R161-E191 IonicContact CZ-OE1 3.44Å; R161-E191 IonicContact CZ-OE2 3.53Å; R161-E191 IonicContact NE-OE1 3.62Å; R161-E191 PolarHBondContact NE-OE1 3.25Å; R161-E191 IonicContact NE-OE2 2.75Å; R161-E191 PolarHBondContact NE-OE2 3.43Å; R161-E191 IonicContact NH2-OE1 3.61Å; R161-E191 PolarHBondContact NH2-OE1 3.04Å; R161-E191 IonicContact NH2-OE2 3.61Å; R161-E191 PolarHBondContact NH2-OE2 2.93Å; R161-Y227 VanDerWaalsContact CD-CD2 3.47Å; R161-Y227 VanDerWaalsContact CD-CG 3.45Å; R161-L244 HydrophobicContact CB-CB 3.69Å; R161-L244 HydrophobicContact CG-CB 4.49Å; R161-W245 PolarHBondContact N-O 3Å
162	Y	96.3	Very high	95.3	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.112	C	C	.	.			trans	-65.7	131.1	176.2	-59.4	-74.5	0	0	0	110.9	L88 L132 I160 F164 W183 S277 V279 L280	L88-Y162 WeakPolarHBondContact O-CE2 3.39Å; L88-Y162 PolarHBondContact O-OH 3.4Å; L132-Y162 HydrophobicContact CD2-CD2 4.21Å; I160-Y162 HydrophobicContact CB-CD1 4.47Å; I160-Y162 HydrophobicContact CB-CD2 4.31Å; I160-Y162 HydrophobicContact CB-CE1 4.01Å; I160-Y162 HydrophobicContact CB-CE2 3.82Å; I160-Y162 HydrophobicContact CD1-CE1 4.31Å; I160-Y162 HydrophobicContact CG2-CD1 3.83Å; I160-Y162 HydrophobicContact CG2-CD2 4.39Å; I160-Y162 HydrophobicContact CG2-CE1 3.66Å; I160-Y162 HydrophobicContact CG2-CE2 4.23Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 3.09Å; Y162-F164 VanDerWaalsContact C-N 3.34Å; Y162-F164 WeakPolarHBondContact CB-O 3.31Å; Y162-W183 PolarHBondContact O-NE1 3.26Å; Y162-S277 WeakPolarHBondContact CA-O 3.07Å; Y162-V279 VanDerWaalsContact CD1-C 3.46Å; Y162-V279 WeakPolarHBondContact CD1-O 3.37Å; Y162-V279 WeakPolarHBondContact CE1-O 3.48Å; Y162-L280 HydrophobicContact CD1-CB 4.35Å; Y162-L280 HydrophobicContact CD2-CB 4.06Å; Y162-L280 HydrophobicContact CD2-CD1 3.97Å; Y162-L280 HydrophobicContact CE2-CB 4.28Å; Y162-L280 HydrophobicContact CE2-CD1 3.43Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.43Å; Y162-L280 HydrophobicContact CE2-CG 4.43Å; Y162-L280 HydrophobicContact CG-CB 4.09Å
163	E	93.2	Very high	95.2	Very high	67 Å²	67	28.4 Å²	28.4	31%	0.313	14%	0.139	S	C	.	.	S	Bend	trans	-67.4	-40.9	174.1	-169.5	171.8	175.6	0	0	111.2	R161 W183 L184 S277 R278	R161-E163 PolarHBondContact O-N 3.24Å; E163-W183 VanDerWaalsContact O-CD1 3.31Å; E163-W183 PolarHBondContact O-NE1 3.22Å; E163-L184 HydrophobicContact CG-CD1 4.41Å; E163-S277 PolarHBondContact N-O 3.44Å; E163-R278 PolarHBondContact N-O 2.93Å; E163-R278 IonicContact OE1-NH1 3Å; E163-R278 WeakPolarHBondContact OE2-CD 3.31Å; E163-R278 IonicContact OE2-CZ 3.51Å; E163-R278 IonicContact OE2-NE 3.97Å; E163-R278 IonicContact OE2-NH1 3.94Å; E163-R278 PolarHBondContact OE2-NH1 3.38Å
164	F	91.5	Very high	95.1	Very high	53 Å²	53	28.7 Å²	28.7	23%	0.232	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-112.6	120.3	171.1	-54.7	-70.9	0	0	0	110	Y162 A180 D181 D182 R278 V279 L280	Y162-F164 VanDerWaalsContact C-N 3.34Å; Y162-F164 WeakPolarHBondContact CB-O 3.31Å; F164-A180 HydrophobicContact CD1-CB 3.94Å; F164-A180 HydrophobicContact CE1-CB 4.2Å; F164-A180 HydrophobicContact CG-CB 4.49Å; F164-D181 WeakPolarHBondContact CA-O 3.3Å; F164-D182 HydrophobicContact CD1-CB 4.29Å; F164-D182 HydrophobicContact CE1-CB 3.96Å; F164-R278 HydrophobicContact CD2-CG 3.96Å; F164-R278 HydrophobicContact CE2-CG 4.09Å; F164-R278 PolarHBondContact N-O 3.01Å; F164-V279 WeakPolarHBondContact O-CA 3.44Å; F164-L280 PolarHBondContact O-N 2.91Å
165	G	85.8	Confident	95.1	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	16%	0.157	C	C	.	.			trans	-71.8	-153.8	175.4	0	0	0	0	0	112.6	G131 F167 D181	G131-G165 WeakPolarHBondContact O-CA 3.41Å; G165-F167 PolarHBondContact O-N 3.18Å; G165-D181 WeakPolarHBondContact CA-OD2 3.44Å; G165-D181 PolarHBondContact N-O 3.38Å
166	I	84.9	Confident	95.1	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	-64.9	125	168.7	-176	49.5	0	0	0	109.7	Y91 G131 N134 D181 L280 K609	Y91-I166 HydrophobicContact CE1-CG2 4.43Å; G131-I166 PolarHBondContact O-N 2.91Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.5Å; I166-D181 WeakPolarHBondContact O-CB 3.39Å; I166-L280 HydrophobicContact CB-CD2 4.18Å; I166-K609 HydrophobicContact CD1-CD 4.49Å; I166-K609 HydrophobicContact CG1-CD 3.78Å
167	F	90.5	Very high	95	Very high	27 Å²	27	35.3 Å²	35.3	12%	0.118	17%	0.173	C	C	.	.			trans	-43.3	143.4	-176.9	64.5	-97.9	0	0	0	113.3	G165 Q169 E178 E179 K609 A610 P612	G165-F167 PolarHBondContact O-N 3.18Å; F167-Q169 HydrophobicContact CE2-CB 4.26Å; F167-Q169 PolarHBondContact O-N 3.46Å; F167-E178 HydrophobicContact CB-CB 4.09Å; F167-E178 HydrophobicContact CB-CG 4.42Å; F167-E178 HydrophobicContact CD1-CB 4.49Å; F167-E178 HydrophobicContact CD1-CG 3.95Å; F167-E178 HydrophobicContact CD2-CB 3.82Å; F167-E178 HydrophobicContact CD2-CG 3.47Å; F167-E178 VanDerWaalsContact CD2-CG 3.47Å; F167-E178 HydrophobicContact CE1-CG 4.09Å; F167-E178 HydrophobicContact CE2-CB 4.45Å; F167-E178 HydrophobicContact CE2-CG 3.63Å; F167-E178 HydrophobicContact CG-CB 3.87Å; F167-E178 HydrophobicContact CG-CG 3.67Å; F167-E178 HydrophobicContact CZ-CG 3.94Å; F167-E179 CarbonylContact C-O 3.58Å; F167-E179 VanDerWaalsContact CA-O 3.3Å; F167-E179 WeakPolarHBondContact CA-O 3.44Å; F167-E179 WeakPolarHBondContact CB-O 3.07Å; F167-K609 HydrophobicContact CE2-CB 4.27Å; F167-K609 HydrophobicContact CE2-CD 4.04Å; F167-K609 HydrophobicContact CE2-CG 4.29Å; F167-K609 HydrophobicContact CZ-CB 3.93Å; F167-K609 HydrophobicContact CZ-CD 4.21Å; F167-K609 HydrophobicContact CZ-CG 4.4Å; F167-K609 WeakPolarHBondContact O-CE 3.15Å; F167-K609 PolarHBondContact O-NZ 3.27Å; F167-A610 VanDerWaalsContact CZ-O 3.26Å; F167-A610 WeakPolarHBondContact CZ-O 3.27Å; F167-P612 HydrophobicContact CD1-CG 4.05Å; F167-P612 HydrophobicContact CE1-CG 3.77Å
168	N	93.3	Very high	94.7	Very high	39 Å²	39	38.3 Å²	38.3	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.9	169	-79.5	-50.9	0	0	0	109.1	E179 D181 N648	N168-E179 HydrophobicContact CB-CB 4.28Å; N168-E179 PolarHBondContact N-O 2.69Å; N168-E179 PolarHBondContact O-N 2.73Å; N168-D181 PolarHBondContact ND2-OD1 2.97Å; N168-N648 PolarHBondContact OD1-ND2 3.17Å
169	Q	95.9	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.2	179.4	-170.8	-169.2	38	0	0	109.3	F167 I171 Q176 G608 K609 E647 N648	F167-Q169 HydrophobicContact CE2-CB 4.26Å; F167-Q169 PolarHBondContact O-N 3.46Å; Q169-I171 HydrophobicContact CG-CD1 4.36Å; Q169-Q176 HydrophobicContact CG-CG 3.85Å; Q169-G608 PolarHBondContact NE2-O 2.78Å; Q169-K609 HydrophobicContact CB-CG 4.24Å; Q169-E647 WeakPolarHBondContact O-CG 3.36Å; Q169-N648 HydrophobicContact CB-CB 4.12Å; Q169-N648 PolarHBondContact N-OD1 3.22Å; Q169-N648 WeakPolarHBondContact O-CB 3.34Å
170	K	96.8	Very high	94.1	Very high	80 Å²	80	46 Å²	46	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.6	166.5	-70.1	-56.3	-172.2	178.8	0	110.7	I172 Q176 V177 E179 E647	K170-I172 HydrophobicContact CB-CG1 4.39Å; K170-Q176 CarbonylContact O-C 3.48Å; K170-Q176 WeakPolarHBondContact O-CA 3.42Å; K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 3.08Å; K170-V177 PolarHBondContact O-N 2.97Å; K170-E179 HydrophobicContact CG-CG 4.24Å; K170-E647 WeakPolarHBondContact CD-OE1 3.25Å; K170-E647 IonicContact NZ-OE1 2.64Å; K170-E647 PolarHBondContact NZ-OE1 3.33Å
171	I	96.7	Very high	93.8	Very high	42 Å²	42	46.4 Å²	46.4	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	105.7	172.2	-56.1	-57.9	0	0	0	108.9	Q169 W175 I621 T625 F645 E647	Q169-I171 HydrophobicContact CG-CD1 4.36Å; I171-W175 CarbonylContact C-O 3.42Å; I171-W175 VanDerWaalsContact CA-O 3.32Å; I171-W175 WeakPolarHBondContact CA-O 3.45Å; I171-I621 HydrophobicContact CD1-CG2 3.95Å; I171-T625 HydrophobicContact CG2-CG2 4.1Å; I171-F645 HydrophobicContact CD1-CD1 3.91Å; I171-F645 HydrophobicContact CD1-CE1 3.59Å; I171-F645 HydrophobicContact CD1-CZ 4.39Å; I171-F645 HydrophobicContact CG1-CD1 3.81Å; I171-F645 HydrophobicContact CG1-CE1 3.92Å; I171-E647 HydrophobicContact CG1-CB 4.15Å; I171-E647 HydrophobicContact CG1-CG 4.24Å; I171-E647 PolarHBondContact N-OE2 3.41Å
172	I	96.6	Very high	93.5	Very high	85 Å²	85	47.8 Å²	47.8	44%	0.436	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.3	179.5	-58.8	-178.9	0	0	0	108.1	K170 G174 W175 V177	K170-I172 HydrophobicContact CB-CG1 4.39Å; I172-G174 PolarHBondContact O-N 3.47Å; I172-W175 PolarHBondContact N-O 2.72Å; I172-W175 PolarHBondContact O-N 3.15Å; I172-V177 HydrophobicContact CB-CG2 4.06Å; I172-V177 HydrophobicContact CD1-CB 4.22Å; I172-V177 HydrophobicContact CD1-CG1 4.41Å; I172-V177 HydrophobicContact CD1-CG2 4Å; I172-V177 HydrophobicContact CG1-CG2 4.16Å
173	N	94.8	Very high	93.4	Very high	143 Å²	143	48.5 Å²	48.5	77%	0.765	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.5	-176.3	-56.4	-33	0	0	0	113	W175	N173-W175 VanDerWaalsContact C-N 3.29Å; N173-W175 PolarHBondContact O-N 3.39Å
174	G	95.4	Very high	93.6	Very high	9 Å²	9	46.4 Å²	46.4	9%	0.093	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-0.4	-178	0	0	0	0	0	115.5	I172 R622 T625	I172-G174 PolarHBondContact O-N 3.47Å; G174-R622 WeakPolarHBondContact O-CA 3.39Å; G174-R622 WeakPolarHBondContact O-CD 3.35Å; G174-T625 WeakPolarHBondContact CA-OG1 3.4Å; G174-T625 PolarHBondContact O-OG1 3.02Å
175	W	97.9	Very high	93.7	Very high	85 Å²	85	50.6 Å²	50.6	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.9	179.2	-67	97.5	0	0	0	112.5	I171 I172 N173 V177 M619 R622 L758	I171-W175 CarbonylContact C-O 3.42Å; I171-W175 VanDerWaalsContact CA-O 3.32Å; I171-W175 WeakPolarHBondContact CA-O 3.45Å; I172-W175 PolarHBondContact N-O 2.72Å; I172-W175 PolarHBondContact O-N 3.15Å; N173-W175 VanDerWaalsContact C-N 3.29Å; N173-W175 PolarHBondContact O-N 3.39Å; W175-V177 PolarHBondContact O-N 2.93Å; W175-M619 HydrophobicContact CH2-CE 4.16Å; W175-M619 HydrophobicContact CH2-SD 3.37Å; W175-M619 WeakPolarHBondContact CH2-SD 3.42Å; W175-M619 HydrophobicContact CZ3-SD 3.61Å; W175-R622 HydrophobicContact CD2-CB 4.06Å; W175-R622 HydrophobicContact CD2-CG 3.99Å; W175-R622 HydrophobicContact CE3-CB 3.8Å; W175-R622 HydrophobicContact CE3-CG 4.17Å; W175-R622 HydrophobicContact CH2-CB 4.13Å; W175-R622 HydrophobicContact CH2-CG 3.94Å; W175-R622 HydrophobicContact CZ2-CB 4.35Å; W175-R622 HydrophobicContact CZ2-CG 3.73Å; W175-R622 HydrophobicContact CZ3-CB 3.83Å; W175-R622 HydrophobicContact CZ3-CG 4.14Å; W175-L758 HydrophobicContact CH2-CD1 4.13Å; W175-L758 HydrophobicContact CZ2-CD1 3.78Å
176	Q	97.6	Very high	94.2	Very high	9 Å²	9	55.6 Å²	55.6	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.1	166.7	171.8	173.2	-60.8	0	0	110.5	Q169 K170 E178 A610 I621	Q169-Q176 HydrophobicContact CG-CG 3.85Å; K170-Q176 CarbonylContact O-C 3.48Å; K170-Q176 WeakPolarHBondContact O-CA 3.42Å; Q176-E178 PolarHBondContact NE2-OE1 3.41Å; Q176-A610 PolarHBondContact NE2-O 2.68Å; Q176-I621 HydrophobicContact CB-CD1 3.98Å; Q176-I621 VanDerWaalsContact OE1-CD1 3.23Å
177	V	96.1	Very high	94.7	Very high	54 Å²	54	56.9 Å²	56.9	33%	0.327	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134	167.5	178.5	0	0	0	0	108.5	K170 I172 W175	K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 3.08Å; K170-V177 PolarHBondContact O-N 2.97Å; I172-V177 HydrophobicContact CB-CG2 4.06Å; I172-V177 HydrophobicContact CD1-CB 4.22Å; I172-V177 HydrophobicContact CD1-CG1 4.41Å; I172-V177 HydrophobicContact CD1-CG2 4Å; I172-V177 HydrophobicContact CG1-CG2 4.16Å; W175-V177 PolarHBondContact O-N 2.93Å
178	E	93.4	Very high	95	Very high	62 Å²	62	57 Å²	57	29%	0.29	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.5	179	-62.9	83	-162	0	0	111.4	F167 Q176 P612 K618	F167-E178 HydrophobicContact CB-CB 4.09Å; F167-E178 HydrophobicContact CB-CG 4.42Å; F167-E178 HydrophobicContact CD1-CB 4.49Å; F167-E178 HydrophobicContact CD1-CG 3.95Å; F167-E178 HydrophobicContact CD2-CB 3.82Å; F167-E178 HydrophobicContact CD2-CG 3.47Å; F167-E178 VanDerWaalsContact CD2-CG 3.47Å; F167-E178 HydrophobicContact CE1-CG 4.09Å; F167-E178 HydrophobicContact CE2-CB 4.45Å; F167-E178 HydrophobicContact CE2-CG 3.63Å; F167-E178 HydrophobicContact CG-CB 3.87Å; F167-E178 HydrophobicContact CG-CG 3.67Å; F167-E178 HydrophobicContact CZ-CG 3.94Å; Q176-E178 PolarHBondContact NE2-OE1 3.41Å; E178-P612 HydrophobicContact CG-CB 4.41Å; E178-P612 HydrophobicContact CG-CG 4.16Å; E178-K618 WeakPolarHBondContact OE1-CE 3.29Å; E178-K618 IonicContact OE1-NZ 3.13Å; E178-K618 PolarHBondContact OE1-NZ 3.45Å; E178-K618 IonicContact OE2-NZ 3.57Å; E178-K618 PolarHBondContact OE2-NZ 3.12Å
179	E	93.1	Very high	95.2	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.4	170.3	-66.7	-179.8	172.5	0	0	110.1	F167 N168 K170 D181	F167-E179 CarbonylContact C-O 3.58Å; F167-E179 VanDerWaalsContact CA-O 3.3Å; F167-E179 WeakPolarHBondContact CA-O 3.44Å; F167-E179 WeakPolarHBondContact CB-O 3.07Å; N168-E179 HydrophobicContact CB-CB 4.28Å; N168-E179 PolarHBondContact N-O 2.69Å; N168-E179 PolarHBondContact O-N 2.73Å; K170-E179 HydrophobicContact CG-CG 4.24Å; E179-D181 PolarHBondContact O-N 3.31Å
180	A	91.2	Very high	95.3	Very high	70 Å²	70	56.2 Å²	56.2	58%	0.579	29%	0.288	S	S	*	.			trans	-61.7	137.9	178.3	0	0	0	0	0	111.3	F164 D182	F164-A180 HydrophobicContact CD1-CB 3.94Å; F164-A180 HydrophobicContact CE1-CB 4.2Å; F164-A180 HydrophobicContact CG-CB 4.49Å; A180-D182 PolarHBondContact O-N 3.44Å
181	D	90.7	Very high	95.4	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.064	28%	0.278	C	S	.	.			trans	-90.7	83.6	176.1	179.3	37.1	0	0	0	111.1	F164 G165 I166 N168 E179 W183	F164-D181 WeakPolarHBondContact CA-O 3.3Å; G165-D181 WeakPolarHBondContact CA-OD2 3.44Å; G165-D181 PolarHBondContact N-O 3.38Å; I166-D181 WeakPolarHBondContact O-CB 3.39Å; N168-D181 PolarHBondContact ND2-OD1 2.97Å; E179-D181 PolarHBondContact O-N 3.31Å; D181-W183 PolarHBondContact O-N 3.09Å
182	D	91.9	Very high	95.4	Very high	57 Å²	57	55.6 Å²	55.6	31%	0.305	29%	0.285	S	S	.	.			trans	-83.1	58.1	-178.3	-168	10.2	0	0	0	112.3	F164 A180 L184 R185	F164-D182 HydrophobicContact CD1-CB 4.29Å; F164-D182 HydrophobicContact CE1-CB 3.96Å; A180-D182 PolarHBondContact O-N 3.44Å; D182-L184 PolarHBondContact O-N 3.05Å; D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 VanDerWaalsContact O-CB 3.3Å; D182-R185 WeakPolarHBondContact O-CB 3.15Å; D182-R185 PolarHBondContact O-N 3.47Å; D182-R185 PolarHBondContact OD1-N 2.99Å; D182-R185 WeakPolarHBondContact OD2-CB 3.34Å
183	W	95	Very high	95.5	Very high	17 Å²	17	53 Å²	53	6%	0.064	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.6	-176.2	74.2	-73.6	0	0	0	113.3	E128 A130 L132 Y162 E163 D181 N188	E128-W183 HydrophobicContact CB-CB 4.34Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.36Å; A130-W183 HydrophobicContact CB-CZ3 3.8Å; L132-W183 HydrophobicContact CD1-CH2 4.28Å; L132-W183 HydrophobicContact CD1-CZ2 4.13Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.21Å; Y162-W183 PolarHBondContact O-NE1 3.26Å; E163-W183 VanDerWaalsContact O-CD1 3.31Å; E163-W183 PolarHBondContact O-NE1 3.22Å; D181-W183 PolarHBondContact O-N 3.09Å; W183-N188 HydrophobicContact CZ3-CB 4.22Å
184	L	95.9	Very high	95.6	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.12	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.6	179.8	-68	172.6	0	0	0	114.4	R161 E163 D182 Y186 G187 N188	R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.32Å; E163-L184 HydrophobicContact CG-CD1 4.41Å; D182-L184 PolarHBondContact O-N 3.05Å; L184-Y186 PolarHBondContact O-N 2.87Å; L184-G187 WeakPolarHBondContact O-CA 3.5Å; L184-G187 PolarHBondContact O-N 3.13Å; L184-N188 HydrophobicContact CD2-CB 3.83Å
185	R	94.9	Very high	95.6	Very high	141 Å²	141	52.5 Å²	52.5	53%	0.532	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-42.1	-176.6	-177	168.8	47.7	-172.9	-9	114.8	D182	D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 VanDerWaalsContact O-CB 3.3Å; D182-R185 WeakPolarHBondContact O-CB 3.15Å; D182-R185 PolarHBondContact O-N 3.47Å; D182-R185 PolarHBondContact OD1-N 2.99Å; D182-R185 WeakPolarHBondContact OD2-CB 3.34Å
186	Y	95.1	Very high	95.4	Very high	107 Å²	107	53.3 Å²	53.3	42%	0.42	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.1	-177.1	-59.1	-73.1	0	0	0	113.1	F54 L184	F54-Y186 WeakPolarHBondContact CZ-O 3.29Å; L184-Y186 PolarHBondContact O-N 2.87Å
187	G	95.4	Very high	95.2	Very high	40 Å²	40	56.6 Å²	56.6	41%	0.412	29%	0.29	S	S	.	.			trans	84.4	156.6	-170.4	0	0	0	0	0	113	L184	L184-G187 WeakPolarHBondContact O-CA 3.5Å; L184-G187 PolarHBondContact O-N 3.13Å
188	N	97.6	Very high	95.2	Very high	29 Å²	29	57 Å²	57	16%	0.155	29%	0.288	C	S	.	.			trans	-112.5	112.2	174.2	172.5	12.3	0	0	0	108.5	W183 L184 W190 E191	W183-N188 HydrophobicContact CZ3-CB 4.22Å; L184-N188 HydrophobicContact CD2-CB 3.83Å; N188-W190 PolarHBondContact O-N 3.33Å; N188-W190 WeakPolarHBondContact OD1-CB 3.31Å; N188-W190 PolarHBondContact OD1-N 3.15Å; N188-E191 HydrophobicContact CB-CG 3.89Å; N188-E191 WeakPolarHBondContact ND2-CG 3.37Å; N188-E191 PolarHBondContact ND2-OE2 2.9Å
189	P	97.4	Very high	95.3	Very high	17 Å²	17	56.1 Å²	56.1	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.3	-176	29.1	-31.6	0	0	0	112.3	F54 A57 R61	F54-P189 HydrophobicContact CD1-CB 4.22Å; F54-P189 HydrophobicContact CD1-CG 4.21Å; F54-P189 HydrophobicContact CE1-CB 4.35Å; F54-P189 HydrophobicContact CE1-CG 4.12Å; A57-P189 HydrophobicContact CB-CB 4.23Å; A57-P189 HydrophobicContact CB-CG 3.89Å; R61-P189 WeakPolarHBondContact CD-O 3.29Å; R61-P189 PolarHBondContact NE-O 3.25Å
190	W	98.3	Very high	95.5	Very high	6 Å²	6	54 Å²	54	2%	0.023	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.9	-171.9	-54.8	111	0	0	0	113.9	A57 V60 R61 L64 T95 L96 T99 E127 N188 T229 P230	A57-W190 HydrophobicContact CB-CH2 4.37Å; A57-W190 HydrophobicContact CB-CZ2 3.98Å; V60-W190 HydrophobicContact CB-CH2 4.45Å; V60-W190 HydrophobicContact CG1-CH2 4.27Å; R61-W190 HydrophobicContact CB-CE3 4.37Å; R61-W190 HydrophobicContact CB-CZ3 4.01Å; L64-W190 HydrophobicContact CD1-CZ3 4.39Å; T95-W190 HydrophobicContact CG2-CD2 3.73Å; T95-W190 HydrophobicContact CG2-CE3 4.05Å; T95-W190 HydrophobicContact CG2-CG 3.98Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å; L96-W190 VanDerWaalsContact CA-CZ2 3.49Å; L96-W190 HydrophobicContact CB-CH2 4.49Å; L96-W190 HydrophobicContact CB-CZ2 3.84Å; L96-W190 HydrophobicContact CD1-CH2 3.95Å; L96-W190 HydrophobicContact CD1-CZ2 3.98Å; T99-W190 HydrophobicContact CG2-CZ3 4.43Å; E127-W190 PolarHBondContact OE1-NE1 3.16Å; N188-W190 PolarHBondContact O-N 3.33Å; N188-W190 WeakPolarHBondContact OD1-CB 3.31Å; N188-W190 PolarHBondContact OD1-N 3.15Å; W190-T229 HydrophobicContact CB-CG2 4.3Å; W190-P230 WeakPolarHBondContact O-CD 3.36Å
191	E	97.9	Very high	95.8	Very high	29 Å²	29	50.6 Å²	50.6	14%	0.136	25%	0.249	C	C	.	.			trans	-84.3	152.2	-177.1	65.9	-176.8	-157.7	0	0	112.8	R161 N188 Y227 D228	R161-E191 IonicContact CZ-OE1 3.44Å; R161-E191 IonicContact CZ-OE2 3.53Å; R161-E191 IonicContact NE-OE1 3.62Å; R161-E191 PolarHBondContact NE-OE1 3.25Å; R161-E191 IonicContact NE-OE2 2.75Å; R161-E191 PolarHBondContact NE-OE2 3.43Å; R161-E191 IonicContact NH2-OE1 3.61Å; R161-E191 PolarHBondContact NH2-OE1 3.04Å; R161-E191 IonicContact NH2-OE2 3.61Å; R161-E191 PolarHBondContact NH2-OE2 2.93Å; N188-E191 HydrophobicContact CB-CG 3.89Å; N188-E191 WeakPolarHBondContact ND2-CG 3.37Å; N188-E191 PolarHBondContact ND2-OE2 2.9Å; E191-Y227 HydrophobicContact CB-CD1 4.25Å; E191-Y227 HydrophobicContact CG-CD1 4.03Å; E191-D228 CarbonylContact C-O 3.58Å; E191-D228 WeakPolarHBondContact CA-O 3.4Å
192	K	98.1	Very high	96.1	Very high	81 Å²	81	52.9 Å²	52.9	35%	0.352	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.1	170.4	-177.3	68.3	-172.4	82.2	0	109.9	W68 D228	W68-K192 HydrophobicContact CH2-CB 4.46Å; W68-K192 HydrophobicContact CZ3-CB 4.44Å; K192-D228 PolarHBondContact N-O 3.03Å; K192-D228 PolarHBondContact O-N 3.35Å
193	A	97.9	Very high	96.3	Very high	29 Å²	29	50.2 Å²	50.2	24%	0.24	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138	169.9	0	0	0	0	0	111.1	P195 Y227	A193-P195 VanDerWaalsContact C-CD 3.49Å; A193-Y227 HydrophobicContact CB-CD1 3.96Å; A193-Y227 HydrophobicContact CB-CE1 3.56Å
194	R	97.1	Very high	96.4	Very high	68 Å²	68	52 Å²	52	26%	0.257	25%	0.252	S	S	.	.			trans	-126.9	64.5	178.7	-62.6	-65.3	-176.2	-178.9	-0.8	111.7	E196 Y197 P226 D228	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.45Å; R194-E196 WeakPolarHBondContact CD-OE1 3.29Å; R194-E196 IonicContact NH1-OE1 2.68Å; R194-E196 PolarHBondContact O-N 2.86Å; R194-E196 VanDerWaalsContact O-N 3.1Å; R194-Y197 HydrophobicContact CB-CD2 3.89Å; R194-Y197 HydrophobicContact CG-CD2 4.37Å; R194-Y197 PolarHBondContact O-N 2.92Å; R194-P226 HydrophobicContact CB-CG 4.06Å; R194-P226 PolarHBondContact N-O 2.89Å; R194-P226 WeakPolarHBondContact O-CG 3.43Å; R194-D228 WeakPolarHBondContact CG-OD2 3.46Å; R194-D228 IonicContact NE-OD2 3.06Å
195	P	95.4	Very high	96.4	Very high	74 Å²	74	52.4 Å²	52.4	48%	0.481	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.3	-178.7	25.8	-35.6	0	0	0	113.8	A193 Y197 M198 L225	A193-P195 VanDerWaalsContact C-CD 3.49Å; P195-Y197 PolarHBondContact O-N 2.94Å; P195-Y197 VanDerWaalsContact O-N 3.16Å; P195-M198 WeakPolarHBondContact O-CB 3.46Å; P195-M198 PolarHBondContact O-N 3.41Å; P195-L225 VanDerWaalsContact CA-CD1 3.44Å; P195-L225 HydrophobicContact CB-CD1 4.02Å
196	E	93.3	Very high	96.5	Very high	102 Å²	102	51 Å²	51	48%	0.477	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62	-17.4	175.1	67.3	-87.3	-157.3	0	0	114.4	R194	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.45Å; R194-E196 WeakPolarHBondContact CD-OE1 3.29Å; R194-E196 IonicContact NH1-OE1 2.68Å; R194-E196 PolarHBondContact O-N 2.86Å; R194-E196 VanDerWaalsContact O-N 3.1Å
197	Y	94.4	Very high	96.6	Very high	79 Å²	79	47.2 Å²	47.2	31%	0.31	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-111	20.8	-179.3	-60.8	-49	0	0	0	113.9	R194 P195 R199	R194-Y197 HydrophobicContact CB-CD2 3.89Å; R194-Y197 HydrophobicContact CG-CD2 4.37Å; R194-Y197 PolarHBondContact O-N 2.92Å; P195-Y197 PolarHBondContact O-N 2.94Å; P195-Y197 VanDerWaalsContact O-N 3.16Å; Y197-R199 PolarHBondContact O-NH1 3.32Å
198	M	94.9	Very high	96.7	Very high	61 Å²	61	48.5 Å²	48.5	30%	0.3	24%	0.239	S	C	.	.			trans	-60.4	140.9	178.9	-160.3	176.1	-63	0	0	112.4	P195 L223 A224 L225	P195-M198 WeakPolarHBondContact O-CB 3.46Å; P195-M198 PolarHBondContact O-N 3.41Å; M198-L223 HydrophobicContact CG-CB 3.93Å; M198-L223 HydrophobicContact SD-CB 3.67Å; M198-L223 HydrophobicContact SD-CD1 3.58Å; M198-L223 VanDerWaalsContact SD-CD1 3.58Å; M198-L223 HydrophobicContact SD-CG 4.14Å; M198-A224 VanDerWaalsContact CA-O 3.3Å; M198-A224 WeakPolarHBondContact CA-O 3.36Å; M198-A224 WeakPolarHBondContact CG-O 3.48Å; M198-L225 HydrophobicContact CE-CB 4.25Å; M198-L225 HydrophobicContact CE-CD1 3.95Å
199	R	95.4	Very high	96.6	Very high	44 Å²	44	53.1 Å²	53.1	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.7	-178.5	-61.5	-64.9	168.4	-105.3	-5.3	112.2	Y197 L223 A224 W245 Q306 R310	Y197-R199 PolarHBondContact O-NH1 3.32Å; R199-L223 CarbonylContact O-C 3.53Å; R199-A224 PolarHBondContact N-O 2.72Å; R199-A224 PolarHBondContact O-N 3.46Å; R199-W245 HydrophobicContact CG-CH2 4.37Å; R199-Q306 HydrophobicContact CG-CB 4.38Å; R199-R310 VanDerWaalsContact NH2-NE 3.18Å
200	P	96.8	Very high	96.4	Very high	47 Å²	47	54.9 Å²	54.9	31%	0.305	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.5	170.9	32.4	-33.4	0	0	0	110.6	V221 V222 L223 Q306	P200-V221 HydrophobicContact CB-CG1 3.87Å; P200-V222 CarbonylContact C-O 3.54Å; P200-L223 HydrophobicContact CB-CD2 4.43Å; P200-Q306 PolarHBondContact O-NE2 2.73Å
201	V	98	Very high	95.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.7	171.4	177.8	0	0	0	0	107.3	F203 V221 V222 A224 Y298 F299 A302 A303	V201-F203 HydrophobicContact CG1-CD2 4.45Å; V201-F203 HydrophobicContact CG1-CE2 3.73Å; V201-F203 HydrophobicContact CG1-CZ 3.83Å; V201-V221 CarbonylContact O-C 3.54Å; V201-V221 WeakPolarHBondContact O-CA 3.31Å; V201-V222 PolarHBondContact N-O 2.92Å; V201-V222 PolarHBondContact O-N 2.88Å; V201-A224 HydrophobicContact CG2-CB 4.13Å; V201-Y298 HydrophobicContact CG1-CD1 4.01Å; V201-Y298 HydrophobicContact CG1-CE1 3.89Å; V201-F299 HydrophobicContact CB-CD2 4.11Å; V201-F299 HydrophobicContact CG1-CD2 4.18Å; V201-F299 HydrophobicContact CG2-CD2 3.87Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; V201-A302 HydrophobicContact CG1-CB 3.99Å; V201-A302 HydrophobicContact CG2-CB 4.18Å; V201-A303 HydrophobicContact CG2-CB 4.16Å
202	H	97	Very high	95.2	Very high	59 Å²	59	66.1 Å²	66.1	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.5	-171.6	-63.1	-95.7	0	0	0	110.6	W216 T219 Q220 Y298	H202-W216 HydrophobicContact CB-CE3 4.2Å; H202-W216 HydrophobicContact CB-CH2 3.83Å; H202-W216 HydrophobicContact CB-CZ2 4.41Å; H202-W216 HydrophobicContact CB-CZ3 3.69Å; H202-W216 WeakPolarHBondContact O-CH2 3.29Å; H202-T219 HydrophobicContact CB-CG2 4.02Å; H202-T219 PolarHBondContact ND1-OG1 2.92Å; H202-Q220 CarbonylContact C-O 3.06Å; H202-Q220 WeakPolarHBondContact CA-O 3.38Å; H202-Y298 WeakPolarHBondContact O-CE1 3.47Å
203	F	96.6	Very high	94.8	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	159.1	174	-65.3	-77.1	0	0	0	110.2	V201 T219 Q220 V222 I276 K295 Y298 F299 L396 L397	V201-F203 HydrophobicContact CG1-CD2 4.45Å; V201-F203 HydrophobicContact CG1-CE2 3.73Å; V201-F203 HydrophobicContact CG1-CZ 3.83Å; F203-T219 CarbonylContact O-C 3.6Å; F203-T219 WeakPolarHBondContact O-CA 3.29Å; F203-T219 WeakPolarHBondContact O-CB 3.41Å; F203-Q220 PolarHBondContact N-O 3.33Å; F203-Q220 PolarHBondContact O-N 3.14Å; F203-V222 HydrophobicContact CD2-CG2 3.98Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.95Å; F203-I276 HydrophobicContact CE2-CD1 3.67Å; F203-I276 HydrophobicContact CZ-CD1 3.88Å; F203-K295 HydrophobicContact CD1-CG 4.03Å; F203-K295 HydrophobicContact CE1-CB 3.93Å; F203-K295 HydrophobicContact CE1-CG 3.78Å; F203-K295 HydrophobicContact CZ-CB 4.14Å; F203-K295 HydrophobicContact CZ-CG 4.3Å; F203-Y298 HydrophobicContact CD1-CD1 4.07Å; F203-Y298 AromaticContact CE1-CD1 3.57Å; F203-Y298 HydrophobicContact CE1-CD1 3.57Å; F203-Y298 HydrophobicContact CE1-CG 4.33Å; F203-Y298 HydrophobicContact CZ-CD1 4.1Å; F203-F299 HydrophobicContact CZ-CB 4.22Å; F203-L396 HydrophobicContact CB-CD1 4.11Å; F203-L396 HydrophobicContact CD1-CD1 3.83Å; F203-L396 HydrophobicContact CD1-CD2 4.49Å; F203-L396 HydrophobicContact CD1-CG 4.11Å; F203-L396 HydrophobicContact CG-CD1 4.35Å; F203-L397 HydrophobicContact CD1-CD2 4.49Å
204	Y	96.6	Very high	94.6	Very high	55 Å²	55	63.6 Å²	63.6	22%	0.216	33%	0.331	C	S	.	.	S	Bend	trans	59.2	-137.2	178.4	-51.3	-74.1	0	0	0	112.8	W216 Q220 E291 K295 N395 L396	Y204-W216 VanDerWaalsContact O-CE2 3.29Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.4Å; Y204-W216 PolarHBondContact O-NE1 2.8Å; Y204-Q220 HydrophobicContact CD2-CB 4.09Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.25Å; Y204-E291 VanDerWaalsContact CE1-OE1 3.32Å; Y204-E291 WeakPolarHBondContact CE1-OE1 3.42Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.28Å; Y204-E291 PolarHBondContact OH-OE1 2.88Å; Y204-K295 VanDerWaalsContact OH-CE 3.23Å; Y204-K295 WeakPolarHBondContact OH-CE 3.24Å; Y204-K295 PolarHBondContact OH-NZ 3Å; Y204-N395 WeakPolarHBondContact CA-O 3.29Å; Y204-N395 WeakPolarHBondContact CD1-O 3.24Å; Y204-L396 HydrophobicContact CD1-CD1 3.98Å; Y204-L396 HydrophobicContact CD2-CD1 4.5Å; Y204-L396 HydrophobicContact CE1-CD1 3.61Å; Y204-L396 HydrophobicContact CE2-CD1 4.19Å; Y204-L396 HydrophobicContact CG-CD1 4.41Å; Y204-L396 PolarHBondContact N-O 3.49Å
205	G	96	Very high	94.5	Very high	30 Å²	30	64.3 Å²	64.3	31%	0.309	34%	0.336	S	S	.	.			trans	71.6	-157	-178.8	0	0	0	0	0	113.1	V217 D218	G205-V217 CarbonylContact C-O 3.6Å; G205-V217 VanDerWaalsContact CA-O 3.26Å; G205-V217 WeakPolarHBondContact CA-O 3.43Å; G205-D218 WeakPolarHBondContact CA-O 3.3Å
206	R	97.7	Very high	94.6	Very high	112 Å²	112	62.5 Å²	62.5	42%	0.423	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.3	-176.7	63.3	-175.5	176	80.3	13.7	111.8	E208 V217 D218	R206-E208 IonicContact CZ-OE1 3.13Å; R206-E208 IonicContact NH1-OE1 2.7Å; R206-E208 PolarHBondContact NH1-OE1 2.93Å; R206-E208 IonicContact NH2-OE1 2.74Å; R206-E208 PolarHBondContact NH2-OE1 2.89Å; R206-V217 HydrophobicContact CG-CG2 3.98Å; R206-V217 PolarHBondContact N-O 2.99Å; R206-V217 PolarHBondContact O-N 3.33Å; R206-D218 IonicContact CZ-OD2 3.15Å; R206-D218 IonicContact NE-OD2 2.74Å; R206-D218 PolarHBondContact NE-OD2 2.89Å; R206-D218 IonicContact NH2-OD2 2.79Å; R206-D218 PolarHBondContact NH2-OD2 3.48Å
207	V	97.9	Very high	94.8	Very high	28 Å²	28	59.1 Å²	59.1	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.5	179.5	-174.4	0	0	0	0	110.3	V214 P398 R399	V207-V214 HydrophobicContact CG1-CG1 3.16Å; V207-P398 HydrophobicContact CG2-CB 4.07Å; V207-P398 HydrophobicContact CG2-CG 4.34Å; V207-R399 HydrophobicContact CG2-CB 3.87Å
208	E	97.1	Very high	94.8	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.6	170.8	-73	-174.6	169.7	0	0	110.7	R206 T210 V214 K215 V217	R206-E208 IonicContact CZ-OE1 3.13Å; R206-E208 IonicContact NH1-OE1 2.7Å; R206-E208 PolarHBondContact NH1-OE1 2.93Å; R206-E208 IonicContact NH2-OE1 2.74Å; R206-E208 PolarHBondContact NH2-OE1 2.89Å; E208-T210 HydrophobicContact CB-CG2 4.45Å; E208-V214 CarbonylContact O-C 3.59Å; E208-V214 WeakPolarHBondContact O-CA 3.24Å; E208-K215 PolarHBondContact N-O 2.96Å; E208-K215 PolarHBondContact O-N 3.36Å; E208-V217 HydrophobicContact CG-CG2 3.73Å
209	H	95.2	Very high	94.8	Very high	126 Å²	126	59.1 Å²	59.1	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.5	174.8	-68.1	-95.5	0	0	0	108.7	E402	H209-E402 IonicContact CE1-OE1 3.28Å; H209-E402 IonicContact CE1-OE2 3.7Å; H209-E402 IonicContact NE2-OE1 2.76Å; H209-E402 PolarHBondContact NE2-OE1 2.84Å; H209-E402 IonicContact NE2-OE2 2.99Å
210	T	92.9	Very high	94.7	Very high	54 Å²	54	60.8 Å²	60.8	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	167.8	-178.6	73.2	0	0	0	0	111	E208 E212 G213	E208-T210 HydrophobicContact CB-CG2 4.45Å; T210-E212 PolarHBondContact O-N 3.16Å; T210-E212 PolarHBondContact OG1-N 3.18Å; T210-G213 PolarHBondContact N-O 3.17Å; T210-G213 PolarHBondContact O-N 3.14Å; T210-G213 PolarHBondContact OG1-O 2.93Å
211	C	87.1	Confident	94.5	Very high	139 Å²	139	60.8 Å²	60.8	94%	0.939	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.4	173.8	54.2	0	0	0	0	113.5	G213	C211-G213 VanDerWaalsContact C-N 3.3Å
212	E	83.7	Confident	94.3	Very high	132 Å²	132	60.9 Å²	60.9	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.5	176.1	-59.9	178.1	165.2	0	0	113.1	T210 K215 K359	T210-E212 PolarHBondContact O-N 3.16Å; T210-E212 PolarHBondContact OG1-N 3.18Å; E212-K215 IonicContact OE2-NZ 2.79Å; E212-K215 PolarHBondContact OE2-NZ 3.45Å; E212-K359 PolarHBondContact O-NZ 2.71Å
213	G	89.4	Confident	94.3	Very high	30 Å²	30	59.9 Å²	59.9	31%	0.309	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	110.2	-168	-177	0	0	0	0	0	113.6	T210 C211	T210-G213 PolarHBondContact N-O 3.17Å; T210-G213 PolarHBondContact O-N 3.14Å; T210-G213 PolarHBondContact OG1-O 2.93Å; C211-G213 VanDerWaalsContact C-N 3.3Å
214	V	94.4	Very high	94.3	Very high	27 Å²	27	59.8 Å²	59.8	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.1	-174.9	-172.2	0	0	0	0	110.6	V207 E208	V207-V214 HydrophobicContact CG1-CG1 3.16Å; E208-V214 CarbonylContact O-C 3.59Å; E208-V214 WeakPolarHBondContact O-CA 3.24Å
215	K	94.9	Very high	94.4	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.6	177.1	-64.5	179.4	-175.7	171.4	0	110	E208 E212 V217	E208-K215 PolarHBondContact N-O 2.96Å; E208-K215 PolarHBondContact O-N 3.36Å; E212-K215 IonicContact OE2-NZ 2.79Å; E212-K215 PolarHBondContact OE2-NZ 3.45Å; K215-V217 HydrophobicContact CB-CG1 3.96Å
216	W	97.7	Very high	94.5	Very high	35 Å²	35	56.5 Å²	56.5	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113	171	-174.7	23.6	0	0	0	108.8	H202 Y204 T219 Y298 L397 R399 H400	H202-W216 HydrophobicContact CB-CE3 4.2Å; H202-W216 HydrophobicContact CB-CH2 3.83Å; H202-W216 HydrophobicContact CB-CZ2 4.41Å; H202-W216 HydrophobicContact CB-CZ3 3.69Å; H202-W216 WeakPolarHBondContact O-CH2 3.29Å; Y204-W216 VanDerWaalsContact O-CE2 3.29Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.4Å; Y204-W216 PolarHBondContact O-NE1 2.8Å; W216-T219 HydrophobicContact CD2-CG2 3.8Å; W216-T219 HydrophobicContact CE3-CG2 4.5Å; W216-T219 HydrophobicContact CG-CG2 3.95Å; W216-T219 HydrophobicContact CZ2-CG2 4.09Å; W216-Y298 HydrophobicContact CH2-CE1 4.17Å; W216-Y298 HydrophobicContact CZ3-CE1 4.44Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.35Å; W216-L397 HydrophobicContact CH2-CD2 3.96Å; W216-L397 HydrophobicContact CZ2-CD2 4.41Å; W216-R399 HydrophobicContact CB-CB 4.27Å; W216-R399 HydrophobicContact CD2-CB 4.42Å; W216-R399 HydrophobicContact CG-CB 4.2Å; W216-H400 AromaticContact CH2-CE1 3.98Å; W216-H400 AromaticContact CZ3-CE1 3.68Å
217	V	96.6	Very high	94.6	Very high	31 Å²	31	52.9 Å²	52.9	19%	0.188	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	170.5	-168	-58.5	0	0	0	0	111.4	G205 R206 E208 K215 T219	G205-V217 CarbonylContact C-O 3.6Å; G205-V217 VanDerWaalsContact CA-O 3.26Å; G205-V217 WeakPolarHBondContact CA-O 3.43Å; R206-V217 HydrophobicContact CG-CG2 3.98Å; R206-V217 PolarHBondContact N-O 2.99Å; R206-V217 PolarHBondContact O-N 3.33Å; E208-V217 HydrophobicContact CG-CG2 3.73Å; K215-V217 HydrophobicContact CB-CG1 3.96Å; V217-T219 PolarHBondContact O-N 3.45Å
218	D	95.7	Very high	94.6	Very high	110 Å²	110	52 Å²	52	59%	0.588	28%	0.279	S	S	*	.	S	Bend	trans	56.7	32.9	179.4	-55.6	-24.6	0	0	0	113.9	G205 R206	G205-D218 WeakPolarHBondContact CA-O 3.3Å; R206-D218 IonicContact CZ-OD2 3.15Å; R206-D218 IonicContact NE-OD2 2.74Å; R206-D218 PolarHBondContact NE-OD2 2.89Å; R206-D218 IonicContact NH2-OD2 2.79Å; R206-D218 PolarHBondContact NH2-OD2 3.48Å
219	T	94.8	Very high	94.7	Very high	31 Å²	31	49.3 Å²	49.3	19%	0.19	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-83	148	-176.5	61.2	0	0	0	0	112.4	H202 F203 W216 V217	H202-T219 HydrophobicContact CB-CG2 4.02Å; H202-T219 PolarHBondContact ND1-OG1 2.92Å; F203-T219 CarbonylContact O-C 3.6Å; F203-T219 WeakPolarHBondContact O-CA 3.29Å; F203-T219 WeakPolarHBondContact O-CB 3.41Å; W216-T219 HydrophobicContact CD2-CG2 3.8Å; W216-T219 HydrophobicContact CE3-CG2 4.5Å; W216-T219 HydrophobicContact CG-CG2 3.95Å; W216-T219 HydrophobicContact CZ2-CG2 4.09Å; V217-T219 PolarHBondContact O-N 3.45Å
220	Q	91.7	Very high	94.8	Very high	78 Å²	78	43.7 Å²	43.7	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.3	162.3	-172.2	180	14.7	0	0	110.1	H202 F203 Y204	H202-Q220 CarbonylContact C-O 3.06Å; H202-Q220 WeakPolarHBondContact CA-O 3.38Å; F203-Q220 PolarHBondContact N-O 3.33Å; F203-Q220 PolarHBondContact O-N 3.14Å; Y204-Q220 HydrophobicContact CD2-CB 4.09Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.25Å
221	V	92.9	Very high	95.1	Very high	47 Å²	47	41.5 Å²	41.5	29%	0.285	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.6	-178.5	-176.4	0	0	0	0	111.1	P200 V201 L223 P250	P200-V221 HydrophobicContact CB-CG1 3.87Å; V201-V221 CarbonylContact O-C 3.54Å; V201-V221 WeakPolarHBondContact O-CA 3.31Å; V221-L223 HydrophobicContact CG1-CD2 4.44Å; V221-P250 WeakPolarHBondContact O-CD 3.36Å
222	V	94.6	Very high	95.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.8	168.6	-179.8	0	0	0	0	108.4	P200 V201 F203 A247 A273 I276 F299	P200-V222 CarbonylContact C-O 3.54Å; V201-V222 PolarHBondContact N-O 2.92Å; V201-V222 PolarHBondContact O-N 2.88Å; F203-V222 HydrophobicContact CD2-CG2 3.98Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.95Å; V222-A247 HydrophobicContact CG1-CB 3.99Å; V222-A273 HydrophobicContact CG1-CB 4.37Å; V222-A273 HydrophobicContact CG2-CB 3.96Å; V222-I276 HydrophobicContact CG1-CD1 4.34Å; V222-I276 HydrophobicContact CG2-CD1 4.2Å; V222-F299 HydrophobicContact CG1-CD2 4.48Å; V222-F299 HydrophobicContact CG1-CE2 4.07Å
223	L	96.1	Very high	96.2	Very high	38 Å²	38	28.9 Å²	28.9	20%	0.199	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.6	177.5	-59.7	179.7	0	0	0	110.8	M198 R199 P200 V221 A247 K248 P250	M198-L223 HydrophobicContact CG-CB 3.93Å; M198-L223 HydrophobicContact SD-CB 3.67Å; M198-L223 HydrophobicContact SD-CD1 3.58Å; M198-L223 VanDerWaalsContact SD-CD1 3.58Å; M198-L223 HydrophobicContact SD-CG 4.14Å; R199-L223 CarbonylContact O-C 3.53Å; P200-L223 HydrophobicContact CB-CD2 4.43Å; V221-L223 HydrophobicContact CG1-CD2 4.44Å; L223-A247 CarbonylContact O-C 3.42Å; L223-K248 HydrophobicContact CB-CB 4.22Å; L223-K248 WeakPolarHBondContact CB-O 3.35Å; L223-K248 PolarHBondContact N-O 2.74Å; L223-K248 PolarHBondContact O-N 3.34Å; L223-P250 HydrophobicContact CD1-CB 4.22Å; L223-P250 HydrophobicContact CG-CB 4.36Å
224	A	98	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.7	174.4	0	0	0	0	0	110.1	M198 R199 V201 W245 F299 A303	M198-A224 VanDerWaalsContact CA-O 3.3Å; M198-A224 WeakPolarHBondContact CA-O 3.36Å; M198-A224 WeakPolarHBondContact CG-O 3.48Å; R199-A224 PolarHBondContact N-O 2.72Å; R199-A224 PolarHBondContact O-N 3.46Å; V201-A224 HydrophobicContact CG2-CB 4.13Å; A224-W245 HydrophobicContact CB-CD2 4.24Å; A224-W245 HydrophobicContact CB-CE3 3.7Å; A224-W245 HydrophobicContact CB-CZ3 4.24Å; A224-F299 HydrophobicContact CB-CE1 4.49Å; A224-F299 HydrophobicContact CB-CE2 3.58Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; A224-A303 HydrophobicContact CB-CB 3.48Å; A224-A303 VanDerWaalsContact CB-CB 3.48Å
225	L	97.9	Very high	96.6	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.2	176.5	171	60.1	0	0	0	110	P195 M198 Y227 S246 K248	P195-L225 VanDerWaalsContact CA-CD1 3.44Å; P195-L225 HydrophobicContact CB-CD1 4.02Å; M198-L225 HydrophobicContact CE-CB 4.25Å; M198-L225 HydrophobicContact CE-CD1 3.95Å; L225-Y227 HydrophobicContact CD2-CE2 3.57Å; L225-Y227 HydrophobicContact CG-CD2 4.19Å; L225-Y227 HydrophobicContact CG-CE2 3.65Å; L225-S246 PolarHBondContact N-O 3Å; L225-S246 PolarHBondContact O-N 2.84Å; L225-K248 HydrophobicContact CB-CG 4.19Å; L225-K248 HydrophobicContact CD2-CG 4.34Å
226	P	98.4	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.2	178.3	22.8	-21.2	0	0	0	112.5	R194 R243 W245	R194-P226 HydrophobicContact CB-CG 4.06Å; R194-P226 PolarHBondContact N-O 2.89Å; R194-P226 WeakPolarHBondContact O-CG 3.43Å; P226-R243 HydrophobicContact CB-CG 3.95Å; P226-W245 HydrophobicContact CB-CE3 3.74Å; P226-W245 HydrophobicContact CB-CH2 4.05Å; P226-W245 HydrophobicContact CB-CZ3 3.48Å; P226-W245 VanDerWaalsContact CB-CZ3 3.48Å; P226-W245 HydrophobicContact CG-CE3 4.14Å; P226-W245 HydrophobicContact CG-CH2 4.17Å; P226-W245 HydrophobicContact CG-CZ3 3.52Å
227	Y	98.7	Very high	96.5	Very high	37 Å²	37	25.5 Å²	25.5	15%	0.145	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.1	166	-76.2	-105.3	0	0	0	108.9	R161 E191 A193 L225 R243 L244	R161-Y227 VanDerWaalsContact CD-CD2 3.47Å; R161-Y227 VanDerWaalsContact CD-CG 3.45Å; E191-Y227 HydrophobicContact CB-CD1 4.25Å; E191-Y227 HydrophobicContact CG-CD1 4.03Å; A193-Y227 HydrophobicContact CB-CD1 3.96Å; A193-Y227 HydrophobicContact CB-CE1 3.56Å; L225-Y227 HydrophobicContact CD2-CE2 3.57Å; L225-Y227 HydrophobicContact CG-CD2 4.19Å; L225-Y227 HydrophobicContact CG-CE2 3.65Å; Y227-R243 WeakPolarHBondContact O-CA 3.48Å; Y227-L244 PolarHBondContact N-O 3.47Å; Y227-L244 PolarHBondContact O-N 3.09Å
228	D	98.7	Very high	96.5	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.043	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130	-179.9	-70.4	-20.9	0	0	0	110.6	W68 E191 K192 R194 T241 M242 R243	W68-D228 HydrophobicContact CH2-CB 3.48Å; W68-D228 VanDerWaalsContact CH2-CB 3.48Å; W68-D228 HydrophobicContact CZ2-CB 3.66Å; E191-D228 CarbonylContact C-O 3.58Å; E191-D228 WeakPolarHBondContact CA-O 3.4Å; K192-D228 PolarHBondContact N-O 3.03Å; K192-D228 PolarHBondContact O-N 3.35Å; R194-D228 WeakPolarHBondContact CG-OD2 3.46Å; R194-D228 IonicContact NE-OD2 3.06Å; D228-T241 HydrophobicContact CB-CG2 3.89Å; D228-M242 WeakPolarHBondContact CA-O 3.46Å; D228-R243 IonicContact OD1-CZ 3.9Å; D228-R243 VanDerWaalsContact OD1-CZ 3.32Å; D228-R243 IonicContact OD1-NE 2.75Å; D228-R243 PolarHBondContact OD1-NE 3.28Å; D228-R243 IonicContact OD1-NH2 2.84Å; D228-R243 PolarHBondContact OD1-NH2 3.23Å; D228-R243 VanDerWaalsContact OD1-NH2 3.08Å; D228-R243 IonicContact OD2-CZ 3.53Å; D228-R243 IonicContact OD2-NE 3.6Å; D228-R243 IonicContact OD2-NH2 2.67Å; D228-R243 PolarHBondContact OD2-NH2 3.27Å
229	T	98.6	Very high	96.6	Very high	11 Å²	11	19.1 Å²	19.1	7%	0.067	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.1	172.1	-60.4	0	0	0	0	109	W190 M242	W190-T229 HydrophobicContact CB-CG2 4.3Å; T229-M242 HydrophobicContact CG2-CE 4.14Å; T229-M242 PolarHBondContact N-O 2.62Å; T229-M242 PolarHBondContact O-N 2.8Å
230	P	98.3	Very high	96.7	Very high	9 Å²	9	17.9 Å²	17.9	6%	0.058	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.1	179.1	28.7	-33.6	0	0	0	111.4	L64 W68 W190 V239	L64-P230 HydrophobicContact CD1-CB 4.23Å; L64-P230 HydrophobicContact CD1-CG 3.82Å; W68-P230 HydrophobicContact CD2-CB 4.18Å; W68-P230 HydrophobicContact CE3-CB 4.37Å; W68-P230 HydrophobicContact CG-CB 4.48Å; W190-P230 WeakPolarHBondContact O-CD 3.36Å; P230-V239 HydrophobicContact CB-CG1 3.46Å; P230-V239 VanDerWaalsContact CB-CG1 3.46Å
231	V	98.5	Very high	97.1	Very high	8 Å²	8	14.4 Å²	14.4	5%	0.048	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	95.6	176.2	-177.6	0	0	0	0	108.8	L145 A149 V239 N240 M242	L145-V231 HydrophobicContact CB-CG1 3.96Å; L145-V231 HydrophobicContact CB-CG2 4.48Å; L145-V231 HydrophobicContact CD1-CG2 4.4Å; A149-V231 HydrophobicContact CB-CG1 4.12Å; A149-V231 WeakPolarHBondContact CB-O 3.3Å; V231-V239 CarbonylContact O-C 3.23Å; V231-V239 WeakPolarHBondContact O-CA 3.24Å; V231-N240 HydrophobicContact CB-CB 4.3Å; V231-N240 PolarHBondContact N-O 2.77Å; V231-N240 PolarHBondContact O-N 3.45Å; V231-M242 HydrophobicContact CG2-CB 4Å
232	P	97.8	Very high	97.3	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.026	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.4	-178.8	28.6	-32.3	0	0	0	111.9	L64 N102 V239	L64-P232 HydrophobicContact CD2-CB 3.69Å; L64-P232 HydrophobicContact CD2-CG 4.02Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.11Å; N102-P232 PolarHBondContact ND2-O 3.47Å; P232-V239 HydrophobicContact CB-CG2 4.34Å
233	G	97.4	Very high	97.5	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.021	6%	0.062	C	C	.	.			trans	-78.4	154.1	167.5	0	0	0	0	0	111.8	R235 N236 I238	G233-R235 PolarHBondContact O-N 2.91Å; G233-R235 VanDerWaalsContact O-N 3.09Å; G233-N236 WeakPolarHBondContact CA-OD1 3.49Å; G233-N236 PolarHBondContact O-OD1 2.99Å; G233-I238 PolarHBondContact N-O 2.7Å
234	Y	97.1	Very high	97.7	Very high	6 Å²	6	11.2 Å²	11.2	2%	0.024	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	106.5	-175.6	-178	-106	0	0	0	112.2	V101 N102 S150 N236 R490 I513 R514	V101-Y234 HydrophobicContact CG1-CD2 4.33Å; V101-Y234 HydrophobicContact CG1-CE2 4.06Å; N102-Y234 WeakPolarHBondContact OD1-CD2 3.37Å; S150-Y234 PolarHBondContact OG-N 3.47Å; Y234-N236 PolarHBondContact O-N 3.14Å; Y234-N236 VanDerWaalsContact O-N 3.14Å; Y234-R490 HydrophobicContact CD2-CG 3.5Å; Y234-R490 VanDerWaalsContact CD2-CG 3.5Å; Y234-R490 HydrophobicContact CE2-CG 4.24Å; Y234-R490 HydrophobicContact CG-CG 3.75Å; Y234-I513 HydrophobicContact CD1-CG2 3.97Å; Y234-I513 HydrophobicContact CD2-CG2 4.34Å; Y234-I513 HydrophobicContact CE1-CB 3.94Å; Y234-I513 HydrophobicContact CE1-CG2 3.45Å; Y234-I513 VanDerWaalsContact CE1-CG2 3.45Å; Y234-I513 HydrophobicContact CE2-CG2 3.85Å; Y234-I513 HydrophobicContact CG-CG2 4.4Å; Y234-I513 VanDerWaalsContact OH-CD1 3.31Å; Y234-I513 WeakPolarHBondContact OH-CD1 3.17Å; Y234-R514 HydrophobicContact CD1-CG 3.57Å; Y234-R514 HydrophobicContact CE1-CG 3.93Å; Y234-R514 PolarHBondContact O-NE 3.38Å; Y234-R514 PolarHBondContact O-NH2 2.95Å
235	R	94.1	Very high	97.7	Very high	63 Å²	63	11.2 Å²	11.2	24%	0.238	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	30.1	174.1	-65.8	-179.3	178.7	178.8	0.6	115	V16 N102 G233 E510 R514 K834	V16-R235 PolarHBondContact O-NH2 3.35Å; N102-R235 WeakPolarHBondContact O-CA 3.3Å; N102-R235 PolarHBondContact O-N 3.39Å; G233-R235 PolarHBondContact O-N 2.91Å; G233-R235 VanDerWaalsContact O-N 3.09Å; R235-E510 IonicContact CZ-OE2 3.65Å; R235-E510 IonicContact NH1-OE2 2.72Å; R235-E510 PolarHBondContact NH1-OE2 3.25Å; R235-E510 IonicContact NH2-OE2 2.87Å; R235-R514 PolarHBondContact O-NH2 2.88Å; R235-K834 WeakPolarHBondContact O-CE 3.2Å
236	N	94.7	Very high	97.7	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.011	5%	0.052	C	C	.	.	S	Bend	trans	-118.1	1.3	-178.4	71.7	-2.7	0	0	0	114.6	A149 S150 G233 Y234 I238 I835	A149-N236 PolarHBondContact O-ND2 2.79Å; S150-N236 WeakPolarHBondContact CA-ND2 3.32Å; S150-N236 PolarHBondContact O-ND2 3.15Å; G233-N236 WeakPolarHBondContact CA-OD1 3.49Å; G233-N236 PolarHBondContact O-OD1 2.99Å; Y234-N236 PolarHBondContact O-N 3.14Å; Y234-N236 VanDerWaalsContact O-N 3.14Å; N236-I238 PolarHBondContact O-N 2.87Å; N236-I238 WeakPolarHBondContact OD1-CB 3.3Å; N236-I238 PolarHBondContact OD1-N 3.25Å; N236-I835 PolarHBondContact O-N 3.19Å; N236-I835 VanDerWaalsContact O-N 3.16Å
237	N	95.3	Very high	97.6	Very high	32 Å²	32	10.9 Å²	10.9	17%	0.171	5%	0.052	C	C	.	.			trans	62.5	8.6	-176.5	-57.7	-49	0	0	0	115.8	R67 I835	R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 3.36Å; N237-I835 VanDerWaalsContact CB-O 3.29Å; N237-I835 WeakPolarHBondContact CB-O 3.01Å; N237-I835 PolarHBondContact ND2-O 2.75Å
238	I	96.4	Very high	97.4	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.041	6%	0.059	C	C	.	.			trans	-85.1	131.6	175.6	-61.5	-177.7	0	0	0	108.4	T71 Y75 G233 N236 I835	T71-I238 HydrophobicContact CG2-CG2 3.87Å; Y75-I238 WeakPolarHBondContact OH-CG2 3.34Å; G233-I238 PolarHBondContact N-O 2.7Å; N236-I238 PolarHBondContact O-N 2.87Å; N236-I238 WeakPolarHBondContact OD1-CB 3.3Å; N236-I238 PolarHBondContact OD1-N 3.25Å; I238-I835 HydrophobicContact CD1-CD1 4.1Å; I238-I835 HydrophobicContact CD1-CG1 4.15Å; I238-I835 HydrophobicContact CG1-CD1 3.69Å; I238-I835 HydrophobicContact CG1-CG1 3.82Å
239	V	98.1	Very high	96.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	105.3	173.2	-176.2	0	0	0	0	108.7	L64 R67 W68 T71 P230 V231 P232	L64-V239 HydrophobicContact CD2-CG2 4.05Å; R67-V239 HydrophobicContact CB-CG2 3.64Å; W68-V239 HydrophobicContact CB-CB 4Å; W68-V239 HydrophobicContact CB-CG1 3.84Å; W68-V239 VanDerWaalsContact CD1-O 3.26Å; W68-V239 HydrophobicContact CG-CB 4.31Å; W68-V239 HydrophobicContact CG-CG1 3.83Å; T71-V239 WeakPolarHBondContact CB-O 3.35Å; T71-V239 VanDerWaalsContact CG2-O 3.31Å; T71-V239 WeakPolarHBondContact CG2-O 3.44Å; T71-V239 PolarHBondContact OG1-N 3.29Å; P230-V239 HydrophobicContact CB-CG1 3.46Å; P230-V239 VanDerWaalsContact CB-CG1 3.46Å; V231-V239 CarbonylContact O-C 3.23Å; V231-V239 WeakPolarHBondContact O-CA 3.24Å; P232-V239 HydrophobicContact CB-CG2 4.34Å
240	N	98.4	Very high	96.1	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.027	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-178.5	173.8	-80.2	-12.5	0	0	0	110.8	Y75 A149 L153 V231	Y75-N240 VanDerWaalsContact CE2-OD1 3.29Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.14Å; Y75-N240 PolarHBondContact OH-OD1 3.12Å; A149-N240 WeakPolarHBondContact CA-ND2 3.43Å; A149-N240 HydrophobicContact CB-CB 4.24Å; L153-N240 PolarHBondContact O-ND2 3.13Å; L153-N240 PolarHBondContact O-OD1 2.64Å; V231-N240 HydrophobicContact CB-CB 4.3Å; V231-N240 PolarHBondContact N-O 2.77Å; V231-N240 PolarHBondContact O-N 3.45Å
241	T	98.7	Very high	94.6	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.5	-177.2	-57.7	0	0	0	0	111	W68 Q72 Y156 G157 D228 R243	W68-T241 HydrophobicContact CZ2-CG2 4.03Å; W68-T241 PolarHBondContact NE1-OG1 3.07Å; Q72-T241 PolarHBondContact NE2-OG1 3.06Å; Y156-T241 WeakPolarHBondContact CA-O 3.38Å; G157-T241 PolarHBondContact N-O 2.9Å; G157-T241 VanDerWaalsContact N-O 3.16Å; D228-T241 HydrophobicContact CB-CG2 3.89Å; T241-R243 HydrophobicContact CG2-CB 4.48Å
242	M	98.7	Very high	92.7	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.3	157.3	-176.3	179.2	65.3	0	0	108	F90 M92 L145 G157 D228 T229 V231 L244	F90-M242 HydrophobicContact CB-SD 3.85Å; F90-M242 HydrophobicContact CD1-SD 3.93Å; F90-M242 HydrophobicContact CD2-SD 4.28Å; F90-M242 HydrophobicContact CG-SD 3.75Å; M92-M242 HydrophobicContact CE-CE 4.41Å; M92-M242 HydrophobicContact CE-SD 4.42Å; M92-M242 HydrophobicContact CG-CE 4.01Å; M92-M242 HydrophobicContact CG-SD 4.15Å; M92-M242 HydrophobicContact SD-CE 4.36Å; M92-M242 HydrophobicContact SD-SD 3.93Å; L145-M242 HydrophobicContact CD1-CB 4.05Å; L145-M242 HydrophobicContact CD1-CG 4.01Å; L145-M242 HydrophobicContact CD1-SD 3.81Å; G157-M242 CarbonylContact O-C 3.45Å; G157-M242 WeakPolarHBondContact O-CA 3.41Å; D228-M242 WeakPolarHBondContact CA-O 3.46Å; T229-M242 HydrophobicContact CG2-CE 4.14Å; T229-M242 PolarHBondContact N-O 2.62Å; T229-M242 PolarHBondContact O-N 2.8Å; V231-M242 HydrophobicContact CG2-CB 4Å; M242-L244 HydrophobicContact CE-CD1 3.86Å; M242-L244 HydrophobicContact CE-CG 4.23Å; M242-L244 HydrophobicContact CG-CD2 4.07Å; M242-L244 HydrophobicContact CG-CG 4.25Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
243	R	98.8	Very high	90.5	Very high	12 Å²	12	34.3 Å²	34.3	5%	0.045	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.8	178.7	176.2	163.6	-72.9	-165.3	-8.7	109.8	G157 Y158 G159 P226 Y227 D228 T241 W245 D307	G157-R243 PolarHBondContact O-N 3.27Å; Y158-R243 WeakPolarHBondContact CA-O 3.23Å; Y158-R243 HydrophobicContact CD1-CB 4.02Å; Y158-R243 HydrophobicContact CD1-CG 4.05Å; Y158-R243 HydrophobicContact CE1-CB 3.9Å; Y158-R243 HydrophobicContact CE1-CG 3.75Å; G159-R243 PolarHBondContact N-O 3.09Å; G159-R243 VanDerWaalsContact N-O 3.1Å; P226-R243 HydrophobicContact CB-CG 3.95Å; Y227-R243 WeakPolarHBondContact O-CA 3.48Å; D228-R243 IonicContact OD1-CZ 3.9Å; D228-R243 VanDerWaalsContact OD1-CZ 3.32Å; D228-R243 IonicContact OD1-NE 2.75Å; D228-R243 PolarHBondContact OD1-NE 3.28Å; D228-R243 IonicContact OD1-NH2 2.84Å; D228-R243 PolarHBondContact OD1-NH2 3.23Å; D228-R243 VanDerWaalsContact OD1-NH2 3.08Å; D228-R243 IonicContact OD2-CZ 3.53Å; D228-R243 IonicContact OD2-NE 3.6Å; D228-R243 IonicContact OD2-NH2 2.67Å; D228-R243 PolarHBondContact OD2-NH2 3.27Å; T241-R243 HydrophobicContact CG2-CB 4.48Å; R243-W245 HydrophobicContact CG-CZ2 4.45Å; R243-D307 IonicContact CZ-OD2 3.01Å; R243-D307 VanDerWaalsContact NH1-CG 3.34Å; R243-D307 IonicContact NH1-OD1 3.79Å; R243-D307 PolarHBondContact NH1-OD1 3.38Å; R243-D307 IonicContact NH1-OD2 3.68Å; R243-D307 PolarHBondContact NH1-OD2 3.29Å
244	L	98.7	Very high	88.5	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.9	-179.4	-58.8	179.1	0	0	0	110.4	F90 L132 G159 R161 Y227 M242	F90-L244 HydrophobicContact CD2-CD2 4.2Å; L132-L244 HydrophobicContact CD1-CD1 3.41Å; L132-L244 VanDerWaalsContact CD1-CD1 3.41Å; G159-L244 WeakPolarHBondContact O-CA 3.29Å; R161-L244 HydrophobicContact CB-CB 3.69Å; R161-L244 HydrophobicContact CG-CB 4.49Å; Y227-L244 PolarHBondContact N-O 3.47Å; Y227-L244 PolarHBondContact O-N 3.09Å; M242-L244 HydrophobicContact CE-CD1 3.86Å; M242-L244 HydrophobicContact CE-CG 4.23Å; M242-L244 HydrophobicContact CG-CD2 4.07Å; M242-L244 HydrophobicContact CG-CG 4.25Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
245	W	98.6	Very high	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.5	-178.4	-59.3	107.1	0	0	0	111.7	Y158 G159 R161 R199 A224 P226 R243 F299 A303 T304 D307	Y158-W245 HydrophobicContact CD1-CZ2 4.19Å; Y158-W245 AromaticContact CD1-NE1 3.55Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; G159-W245 PolarHBondContact O-N 3.14Å; R161-W245 PolarHBondContact N-O 3Å; R199-W245 HydrophobicContact CG-CH2 4.37Å; A224-W245 HydrophobicContact CB-CD2 4.24Å; A224-W245 HydrophobicContact CB-CE3 3.7Å; A224-W245 HydrophobicContact CB-CZ3 4.24Å; P226-W245 HydrophobicContact CB-CE3 3.74Å; P226-W245 HydrophobicContact CB-CH2 4.05Å; P226-W245 HydrophobicContact CB-CZ3 3.48Å; P226-W245 VanDerWaalsContact CB-CZ3 3.48Å; P226-W245 HydrophobicContact CG-CE3 4.14Å; P226-W245 HydrophobicContact CG-CH2 4.17Å; P226-W245 HydrophobicContact CG-CZ3 3.52Å; R243-W245 HydrophobicContact CG-CZ2 4.45Å; W245-F299 HydrophobicContact CB-CD1 4.36Å; W245-F299 HydrophobicContact CB-CE1 3.51Å; W245-F299 HydrophobicContact CB-CZ 4.03Å; W245-A303 HydrophobicContact CD2-CB 3.66Å; W245-A303 HydrophobicContact CE3-CB 4.03Å; W245-A303 HydrophobicContact CG-CB 4.03Å; W245-A303 HydrophobicContact CH2-CB 4.26Å; W245-A303 HydrophobicContact CZ2-CB 3.91Å; W245-A303 WeakPolarHBondContact CZ2-O 3.41Å; W245-A303 HydrophobicContact CZ3-CB 4.29Å; W245-T304 PolarHBondContact NE1-OG1 2.98Å; W245-D307 HydrophobicContact CH2-CB 4.07Å; W245-D307 HydrophobicContact CZ2-CB 4.01Å
246	S	98.1	Very high	84.8	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.2	168.5	177.7	0	0	0	0	109.3	L225	L225-S246 PolarHBondContact N-O 3Å; L225-S246 PolarHBondContact O-N 2.84Å
247	A	96.8	Very high	83	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.7	176	0	0	0	0	0	110	V222 L223 A273 I276 S277 F299	V222-A247 HydrophobicContact CG1-CB 3.99Å; L223-A247 CarbonylContact O-C 3.42Å; A247-A273 WeakPolarHBondContact CB-O 3.35Å; A247-I276 HydrophobicContact CB-CB 3.89Å; A247-I276 HydrophobicContact CB-CG2 4.4Å; A247-S277 PolarHBondContact N-OG 3.48Å; A247-F299 HydrophobicContact CB-CE1 4.28Å; A247-F299 HydrophobicContact CB-CE2 4Å; A247-F299 HydrophobicContact CB-CZ 3.76Å
248	K	93.4	Very high	81.2	Confident	69 Å²	69	53.7 Å²	53.7	30%	0.3	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.2	177.3	-67.9	-63.4	176.7	-168.2	0	109.6	L223 L225 E274	L223-K248 HydrophobicContact CB-CB 4.22Å; L223-K248 WeakPolarHBondContact CB-O 3.35Å; L223-K248 PolarHBondContact N-O 2.74Å; L223-K248 PolarHBondContact O-N 3.34Å; L225-K248 HydrophobicContact CB-CG 4.19Å; L225-K248 HydrophobicContact CD2-CG 4.34Å; K248-E274 WeakPolarHBondContact CD-OE1 3.26Å; K248-E274 IonicContact NZ-OE1 2.62Å
249	A	87.8	Confident	79.4	Confident	19 Å²	19	59.1 Å²	59.1	16%	0.157	30%	0.303	C	S	.	.			trans	-69.3	144.4	169.1	0	0	0	0	0	109.8	R270 A273	A249-R270 HydrophobicContact CB-CB 3.79Å; A249-R270 HydrophobicContact CB-CG 3.61Å; A249-A273 HydrophobicContact CB-CB 4.16Å
250	P	83.9	Confident	77.9	Confident	48 Å²	48	65.1 Å²	65.1	31%	0.312	34%	0.339	S	S	.	.			trans	-60.6	143.3	170.1	26	-32.2	0	0	0	110.5	V221 L223 E252	V221-P250 WeakPolarHBondContact O-CD 3.36Å; L223-P250 HydrophobicContact CD1-CB 4.22Å; L223-P250 HydrophobicContact CG-CB 4.36Å; P250-E252 PolarHBondContact O-N 3.06Å
251	C	65.5	Low	76	Confident	130 Å²	130	68.1 Å²	68.1	88%	0.878	37%	0.372	S	S	*	.			trans	-75.6	19.4	177.9	-68	0	0	0	0	113.5	F253	C251-F253 PolarHBondContact O-N 3.47Å
252	E	59	Low	74.2	Confident	174 Å²	174	69 Å²	69	81%	0.813	38%	0.382	S	S	*	.			trans	-68.5	84.4	173.1	-69.7	-171.6	-175.7	0	0	108.5	P250 N254	P250-E252 PolarHBondContact O-N 3.06Å; E252-N254 VanDerWaalsContact C-N 3.31Å; E252-N254 PolarHBondContact O-N 2.94Å
253	F	50.9	Low	72.7	Confident	129 Å²	129	75.5 Å²	75.5	57%	0.566	41%	0.407	S	S	*	.			trans	-64.9	95.9	171.2	-172.8	-93.5	0	0	0	106.7	C251 L255 F258	C251-F253 PolarHBondContact O-N 3.47Å; F253-L255 HydrophobicContact CD1-CD1 4.26Å; F253-L255 HydrophobicContact CD1-CD2 4.47Å; F253-L255 HydrophobicContact CD1-CG 3.73Å; F253-L255 HydrophobicContact CE1-CD2 4.05Å; F253-L255 HydrophobicContact CE1-CG 3.79Å; F253-L255 PolarHBondContact O-N 3.33Å; F253-F258 HydrophobicContact CE1-CB 4.32Å; F253-F258 HydrophobicContact CE1-CD1 4.45Å; F253-F258 HydrophobicContact CE1-CD2 4.24Å; F253-F258 HydrophobicContact CE1-CG 4.09Å; F253-F258 HydrophobicContact CE2-CD2 4.16Å; F253-F258 HydrophobicContact CE2-CE2 4.4Å; F253-F258 HydrophobicContact CZ-CB 4.37Å; F253-F258 HydrophobicContact CZ-CD1 4.31Å; F253-F258 AromaticContact CZ-CD2 3.5Å; F253-F258 HydrophobicContact CZ-CD2 3.5Å; F253-F258 AromaticContact CZ-CE2 3.76Å; F253-F258 HydrophobicContact CZ-CE2 3.76Å; F253-F258 AromaticContact CZ-CG 3.81Å; F253-F258 HydrophobicContact CZ-CG 3.81Å; F253-F258 HydrophobicContact CZ-CZ 4.28Å
254	N	55.6	Low	71.3	Confident	83 Å²	83	80.9 Å²	80.9	44%	0.444	44%	0.435	S	S	.	.			trans	-72.3	82.6	-178.1	-155.5	-3	0	0	0	109.1	E252 K256 D257 F258	E252-N254 VanDerWaalsContact C-N 3.31Å; E252-N254 PolarHBondContact O-N 2.94Å; N254-K256 PolarHBondContact O-N 3.46Å; N254-D257 HydrophobicContact CB-CB 4.39Å; N254-D257 PolarHBondContact ND2-OD2 3.21Å; N254-D257 PolarHBondContact O-N 2.76Å; N254-F258 PolarHBondContact O-N 2.85Å
255	L	55.8	Low	69.8	Low	102 Å²	102	85.7 Å²	85.7	53%	0.534	46%	0.458	S	S	.	.	H	α-helix	trans	-51.6	-28.9	177.9	-97	145.8	0	0	0	111.9	F253 N259	F253-L255 HydrophobicContact CD1-CD1 4.26Å; F253-L255 HydrophobicContact CD1-CD2 4.47Å; F253-L255 HydrophobicContact CD1-CG 3.73Å; F253-L255 HydrophobicContact CE1-CD2 4.05Å; F253-L255 HydrophobicContact CE1-CG 3.79Å; F253-L255 PolarHBondContact O-N 3.33Å; L255-N259 WeakPolarHBondContact O-CB 3.46Å; L255-N259 PolarHBondContact O-N 3.46Å; L255-N259 PolarHBondContact O-ND2 2.64Å
256	K	57.3	Low	68.3	Low	162 Å²	162	87.8 Å²	87.8	70%	0.704	48%	0.475	S	S	*	.	H	α-helix	trans	-61.2	-56.5	173.9	-96	-178.6	173.4	178.9	0	111.4	N254 F258 N259 V260	N254-K256 PolarHBondContact O-N 3.46Å; K256-F258 VanDerWaalsContact C-N 3.28Å; K256-F258 PolarHBondContact O-N 3.3Å; K256-N259 PolarHBondContact O-N 3.3Å; K256-V260 WeakPolarHBondContact O-CG2 3.44Å; K256-V260 PolarHBondContact O-N 3.12Å
257	D	56.7	Low	67	Low	79 Å²	79	90.3 Å²	90.3	42%	0.422	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-33.9	-179.7	-62.5	-24	0	0	0	111.8	N254 V260 G262	N254-D257 HydrophobicContact CB-CB 4.39Å; N254-D257 PolarHBondContact ND2-OD2 3.21Å; N254-D257 PolarHBondContact O-N 2.76Å; D257-V260 PolarHBondContact O-N 2.95Å; D257-G262 WeakPolarHBondContact O-CA 3.41Å; D257-G262 PolarHBondContact O-N 2.94Å
258	F	57.5	Low	65.8	Low	86 Å²	86	94.1 Å²	94.1	38%	0.377	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-45.6	172.9	-172	-90.5	0	0	0	112.1	F253 N254 K256 V260 G261 Y263	F253-F258 HydrophobicContact CE1-CB 4.32Å; F253-F258 HydrophobicContact CE1-CD1 4.45Å; F253-F258 HydrophobicContact CE1-CD2 4.24Å; F253-F258 HydrophobicContact CE1-CG 4.09Å; F253-F258 HydrophobicContact CE2-CD2 4.16Å; F253-F258 HydrophobicContact CE2-CE2 4.4Å; F253-F258 HydrophobicContact CZ-CB 4.37Å; F253-F258 HydrophobicContact CZ-CD1 4.31Å; F253-F258 AromaticContact CZ-CD2 3.5Å; F253-F258 HydrophobicContact CZ-CD2 3.5Å; F253-F258 AromaticContact CZ-CE2 3.76Å; F253-F258 HydrophobicContact CZ-CE2 3.76Å; F253-F258 AromaticContact CZ-CG 3.81Å; F253-F258 HydrophobicContact CZ-CG 3.81Å; F253-F258 HydrophobicContact CZ-CZ 4.28Å; N254-F258 PolarHBondContact O-N 2.85Å; K256-F258 VanDerWaalsContact C-N 3.28Å; K256-F258 PolarHBondContact O-N 3.3Å; F258-V260 VanDerWaalsContact C-N 3.27Å; F258-V260 PolarHBondContact O-N 2.83Å; F258-G261 PolarHBondContact O-N 3.04Å; F258-Y263 AromaticContact CD2-CD2 3.97Å; F258-Y263 HydrophobicContact CD2-CD2 3.97Å; F258-Y263 AromaticContact CE2-CD2 3.61Å; F258-Y263 HydrophobicContact CE2-CD2 3.61Å; F258-Y263 HydrophobicContact CE2-CE2 4.32Å; F258-Y263 HydrophobicContact CE2-CG 4.4Å
259	N	59.1	Low	64.6	Low	122 Å²	122	94 Å²	94	65%	0.652	51%	0.513	S	S	*	.	H	α-helix	trans	-72.4	-15.3	-177.2	-72.6	-24.4	0	0	0	113.9	L255 K256	L255-N259 WeakPolarHBondContact O-CB 3.46Å; L255-N259 PolarHBondContact O-N 3.46Å; L255-N259 PolarHBondContact O-ND2 2.64Å; K256-N259 PolarHBondContact O-N 3.3Å
260	V	67.5	Low	64.2	Low	127 Å²	127	99.7 Å²	99.7	77%	0.77	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8	174.4	-136.5	0	0	0	0	113.3	K256 D257 F258	K256-V260 WeakPolarHBondContact O-CG2 3.44Å; K256-V260 PolarHBondContact O-N 3.12Å; D257-V260 PolarHBondContact O-N 2.95Å; F258-V260 VanDerWaalsContact C-N 3.27Å; F258-V260 PolarHBondContact O-N 2.83Å
261	G	57.5	Low	63.9	Low	68 Å²	68	100.3 Å²	100.3	70%	0.701	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	10.5	-179.2	0	0	0	0	0	114.8	F258 Y263	F258-G261 PolarHBondContact O-N 3.04Å; G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.44Å
262	G	61.9	Low	64.6	Low	24 Å²	24	99 Å²	99	25%	0.247	51%	0.514	C	S	.	.			trans	-83.7	19.9	-178.3	0	0	0	0	0	115.8	D257 I264 Q265 A266	D257-G262 WeakPolarHBondContact O-CA 3.41Å; D257-G262 PolarHBondContact O-N 2.94Å; G262-I264 VanDerWaalsContact C-N 3.26Å; G262-I264 PolarHBondContact O-N 3.46Å; G262-Q265 PolarHBondContact O-N 3.49Å; G262-A266 PolarHBondContact O-N 3.1Å
263	Y	66.8	Low	65.7	Low	141 Å²	141	90.9 Å²	90.9	55%	0.553	48%	0.477	S	S	*	.	H	α-helix	trans	-50.5	-44.3	-177.1	170.8	-106	0	0	0	113.1	F258 G261 Q265 A266 V267	F258-Y263 AromaticContact CD2-CD2 3.97Å; F258-Y263 HydrophobicContact CD2-CD2 3.97Å; F258-Y263 AromaticContact CE2-CD2 3.61Å; F258-Y263 HydrophobicContact CE2-CD2 3.61Å; F258-Y263 HydrophobicContact CE2-CE2 4.32Å; F258-Y263 HydrophobicContact CE2-CG 4.4Å; G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.44Å; Y263-Q265 VanDerWaalsContact C-N 3.31Å; Y263-Q265 PolarHBondContact O-N 3.12Å; Y263-A266 PolarHBondContact O-N 3.1Å; Y263-V267 HydrophobicContact CD2-CG2 4.39Å; Y263-V267 HydrophobicContact CE1-CG2 4.4Å; Y263-V267 HydrophobicContact CE2-CG2 3.93Å; Y263-V267 WeakPolarHBondContact O-CG2 3.2Å; Y263-V267 PolarHBondContact O-N 3.38Å
264	I	70.1	Confident	67.5	Low	124 Å²	124	85.6 Å²	85.6	64%	0.636	45%	0.454	S	S	*	.	H	α-helix	trans	-61.1	-43.1	-179.6	-64.6	-176.3	0	0	0	110.4	G262 V267 L268	G262-I264 VanDerWaalsContact C-N 3.26Å; G262-I264 PolarHBondContact O-N 3.46Å; I264-V267 PolarHBondContact O-N 3.35Å; I264-L268 HydrophobicContact CG2-CD1 3.87Å; I264-L268 HydrophobicContact CG2-CG 4.28Å; I264-L268 VanDerWaalsContact O-CG 3.27Å; I264-L268 WeakPolarHBondContact O-CG 3.29Å; I264-L268 PolarHBondContact O-N 2.86Å
265	Q	65.6	Low	69.2	Low	105 Å²	105	84.4 Å²	84.4	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-66.5	-43.4	-177.1	-167.1	60	46.6	0	0	112.1	G262 Y263 V267 L268 D269	G262-Q265 PolarHBondContact O-N 3.49Å; Y263-Q265 VanDerWaalsContact C-N 3.31Å; Y263-Q265 PolarHBondContact O-N 3.12Å; Q265-V267 VanDerWaalsContact C-N 3.27Å; Q265-V267 PolarHBondContact O-N 2.82Å; Q265-L268 WeakPolarHBondContact O-CB 3.46Å; Q265-L268 PolarHBondContact O-N 3.02Å; Q265-L268 VanDerWaalsContact O-N 3.1Å; Q265-D269 PolarHBondContact NE2-OD1 3.42Å; Q265-D269 PolarHBondContact O-N 3.37Å
266	A	67	Low	71	Confident	44 Å²	44	79.7 Å²	79.7	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-34.3	178	0	0	0	0	0	113	G262 Y263 R270	G262-A266 PolarHBondContact O-N 3.1Å; Y263-A266 PolarHBondContact O-N 3.1Å; A266-R270 PolarHBondContact O-N 3.48Å
267	V	72.4	Confident	72.8	Confident	60 Å²	60	72.2 Å²	72.2	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-73.4	-38.6	174.8	175.6	0	0	0	0	111.4	Y263 I264 Q265 R270 N271	Y263-V267 HydrophobicContact CD2-CG2 4.39Å; Y263-V267 HydrophobicContact CE1-CG2 4.4Å; Y263-V267 HydrophobicContact CE2-CG2 3.93Å; Y263-V267 WeakPolarHBondContact O-CG2 3.2Å; Y263-V267 PolarHBondContact O-N 3.38Å; I264-V267 PolarHBondContact O-N 3.35Å; Q265-V267 VanDerWaalsContact C-N 3.27Å; Q265-V267 PolarHBondContact O-N 2.82Å; V267-R270 PolarHBondContact O-N 3.27Å; V267-N271 PolarHBondContact O-N 2.84Å; V267-N271 PolarHBondContact O-ND2 3.3Å
268	L	70.9	Confident	74.4	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.424	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-43.4	175.1	-69.9	173.2	0	0	0	111.5	I264 Q265 R270 N271 L272	I264-L268 HydrophobicContact CG2-CD1 3.87Å; I264-L268 HydrophobicContact CG2-CG 4.28Å; I264-L268 VanDerWaalsContact O-CG 3.27Å; I264-L268 WeakPolarHBondContact O-CG 3.29Å; I264-L268 PolarHBondContact O-N 2.86Å; Q265-L268 WeakPolarHBondContact O-CB 3.46Å; Q265-L268 PolarHBondContact O-N 3.02Å; Q265-L268 VanDerWaalsContact O-N 3.1Å; L268-R270 VanDerWaalsContact C-N 3.27Å; L268-R270 PolarHBondContact O-N 3.32Å; L268-N271 WeakPolarHBondContact O-CB 3.26Å; L268-N271 PolarHBondContact O-N 3.09Å; L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 3.35Å
269	D	68.4	Low	75.8	Confident	67 Å²	67	69.7 Å²	69.7	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-36	179.6	-64.5	-16.4	0	0	0	111.8	Q265 L272 A273	Q265-D269 PolarHBondContact NE2-OD1 3.42Å; Q265-D269 PolarHBondContact O-N 3.37Å; D269-L272 PolarHBondContact O-N 3.35Å; D269-A273 PolarHBondContact O-N 3.01Å
270	R	78.1	Confident	76.9	Confident	138 Å²	138	64.2 Å²	64.2	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-44.6	171.3	165.5	172.4	158	171.6	-8.6	111.9	A249 A266 V267 L268 L272 A273 E274	A249-R270 HydrophobicContact CB-CB 3.79Å; A249-R270 HydrophobicContact CB-CG 3.61Å; A266-R270 PolarHBondContact O-N 3.48Å; V267-R270 PolarHBondContact O-N 3.27Å; L268-R270 VanDerWaalsContact C-N 3.27Å; L268-R270 PolarHBondContact O-N 3.32Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.87Å; R270-A273 PolarHBondContact O-N 3.23Å; R270-E274 HydrophobicContact CG-CG 4.48Å; R270-E274 IonicContact CZ-OE1 3.62Å; R270-E274 IonicContact NE-OE1 2.73Å; R270-E274 IonicContact NE-OE2 2.72Å; R270-E274 IonicContact NH2-OE1 3.66Å; R270-E274 IonicContact NH2-OE2 3.5Å; R270-E274 WeakPolarHBondContact O-CG 3.44Å; R270-E274 PolarHBondContact O-N 2.65Å
271	N	79.3	Confident	77	Confident	61 Å²	61	61.6 Å²	61.6	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-37.6	177.7	-72.6	-34.4	0	0	0	111.6	V267 L268 A273 E274 N275	V267-N271 PolarHBondContact O-N 2.84Å; V267-N271 PolarHBondContact O-ND2 3.3Å; L268-N271 WeakPolarHBondContact O-CB 3.26Å; L268-N271 PolarHBondContact O-N 3.09Å; N271-A273 VanDerWaalsContact C-N 3.34Å; N271-A273 PolarHBondContact O-N 2.82Å; N271-E274 PolarHBondContact O-N 2.74Å; N271-N275 WeakPolarHBondContact O-CB 3.3Å; N271-N275 PolarHBondContact O-N 2.93Å; N271-N275 PolarHBondContact O-ND2 3.31Å; N271-N275 PolarHBondContact O-OD1 3.02Å
272	L	78.9	Confident	77.3	Confident	101 Å²	101	59.5 Å²	59.5	53%	0.529	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.1	-68.7	174.6	0	0	0	112.4	L268 D269 R270	L268-L272 WeakPolarHBondContact O-CG 3.46Å; L268-L272 PolarHBondContact O-N 3.35Å; D269-L272 PolarHBondContact O-N 3.35Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.87Å
273	A	83.2	Confident	77.3	Confident	5 Å²	5	61.9 Å²	61.9	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-44.1	174.6	0	0	0	0	0	112.1	V222 A247 A249 D269 R270 N271 N275	V222-A273 HydrophobicContact CG1-CB 4.37Å; V222-A273 HydrophobicContact CG2-CB 3.96Å; A247-A273 WeakPolarHBondContact CB-O 3.35Å; A249-A273 HydrophobicContact CB-CB 4.16Å; D269-A273 PolarHBondContact O-N 3.01Å; R270-A273 PolarHBondContact O-N 3.23Å; N271-A273 VanDerWaalsContact C-N 3.34Å; N271-A273 PolarHBondContact O-N 2.82Å; A273-N275 VanDerWaalsContact C-N 3.26Å; A273-N275 PolarHBondContact O-N 2.94Å
274	E	88.4	Confident	76.8	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-71.5	-19.6	-179.3	-65.8	-173	148.9	0	0	112.8	K248 R270 N271 I276 S277	K248-E274 WeakPolarHBondContact CD-OE1 3.26Å; K248-E274 IonicContact NZ-OE1 2.62Å; R270-E274 HydrophobicContact CG-CG 4.48Å; R270-E274 IonicContact CZ-OE1 3.62Å; R270-E274 IonicContact NE-OE1 2.73Å; R270-E274 IonicContact NE-OE2 2.72Å; R270-E274 IonicContact NH2-OE1 3.66Å; R270-E274 IonicContact NH2-OE2 3.5Å; R270-E274 WeakPolarHBondContact O-CG 3.44Å; R270-E274 PolarHBondContact O-N 2.65Å; N271-E274 PolarHBondContact O-N 2.74Å; E274-I276 PolarHBondContact O-N 2.92Å; E274-S277 PolarHBondContact O-N 3.32Å
275	N	90.3	Very high	76	Confident	58 Å²	58	58.6 Å²	58.6	31%	0.31	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.2	177.4	-79.1	-14.5	0	0	0	113.9	N271 A273 S277 R278	N271-N275 WeakPolarHBondContact O-CB 3.3Å; N271-N275 PolarHBondContact O-N 2.93Å; N271-N275 PolarHBondContact O-ND2 3.31Å; N271-N275 PolarHBondContact O-OD1 3.02Å; A273-N275 VanDerWaalsContact C-N 3.26Å; A273-N275 PolarHBondContact O-N 2.94Å; N275-S277 VanDerWaalsContact C-N 3.3Å; N275-S277 PolarHBondContact O-N 3.29Å; N275-R278 WeakPolarHBondContact O-CB 3.33Å; N275-R278 PolarHBondContact O-N 2.77Å; N275-R278 VanDerWaalsContact O-N 3.12Å
276	I	93.8	Very high	75.7	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.015	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-55.5	-45.6	177.5	-63.9	174.1	0	0	0	110.8	F203 V222 A247 E274 L292 K295 Q296 F299	F203-I276 HydrophobicContact CE2-CD1 3.67Å; F203-I276 HydrophobicContact CZ-CD1 3.88Å; V222-I276 HydrophobicContact CG1-CD1 4.34Å; V222-I276 HydrophobicContact CG2-CD1 4.2Å; A247-I276 HydrophobicContact CB-CB 3.89Å; A247-I276 HydrophobicContact CB-CG2 4.4Å; E274-I276 PolarHBondContact O-N 2.92Å; I276-L292 HydrophobicContact CG1-CD1 4.33Å; I276-K295 HydrophobicContact CD1-CB 4.28Å; I276-K295 HydrophobicContact CG1-CB 4.2Å; I276-Q296 HydrophobicContact CG2-CG 4.06Å; I276-Q296 WeakPolarHBondContact O-CG 3.42Å; I276-Q296 PolarHBondContact O-NE2 3.04Å; I276-F299 HydrophobicContact CG2-CB 3.77Å; I276-F299 HydrophobicContact CG2-CD1 3.89Å; I276-F299 HydrophobicContact CG2-CD2 4.33Å; I276-F299 HydrophobicContact CG2-CG 3.75Å
277	S	94.4	Very high	75.3	Confident	5 Å²	5	64.3 Å²	64.3	4%	0.035	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-98.5	23.5	179.5	63.7	0	0	0	0	113.4	Y162 E163 A247 E274 N275	Y162-S277 WeakPolarHBondContact CA-O 3.07Å; E163-S277 PolarHBondContact N-O 3.44Å; A247-S277 PolarHBondContact N-OG 3.48Å; E274-S277 PolarHBondContact O-N 3.32Å; N275-S277 VanDerWaalsContact C-N 3.3Å; N275-S277 PolarHBondContact O-N 3.29Å
278	R	90.5	Very high	75	Confident	59 Å²	59	69 Å²	69	22%	0.223	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-54.2	-174.2	-165	74.2	71.6	167.9	3.9	112.9	E163 F164 N275	E163-R278 PolarHBondContact N-O 2.93Å; E163-R278 IonicContact OE1-NH1 3Å; E163-R278 WeakPolarHBondContact OE2-CD 3.31Å; E163-R278 IonicContact OE2-CZ 3.51Å; E163-R278 IonicContact OE2-NE 3.97Å; E163-R278 IonicContact OE2-NH1 3.94Å; E163-R278 PolarHBondContact OE2-NH1 3.38Å; F164-R278 HydrophobicContact CD2-CG 3.96Å; F164-R278 HydrophobicContact CE2-CG 4.09Å; F164-R278 PolarHBondContact N-O 3.01Å; N275-R278 WeakPolarHBondContact O-CB 3.33Å; N275-R278 PolarHBondContact O-N 2.77Å; N275-R278 VanDerWaalsContact O-N 3.12Å
279	V	88.3	Confident	75.3	Confident	53 Å²	53	65.5 Å²	65.5	32%	0.321	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-131.8	140.9	-174.7	67.7	0	0	0	0	112.1	Y162 F164 Y281 P282 Q296	Y162-V279 VanDerWaalsContact CD1-C 3.46Å; Y162-V279 WeakPolarHBondContact CD1-O 3.37Å; Y162-V279 WeakPolarHBondContact CE1-O 3.48Å; F164-V279 WeakPolarHBondContact O-CA 3.44Å; V279-Y281 PolarHBondContact O-N 2.84Å; V279-P282 HydrophobicContact CG1-CB 4.47Å; V279-Q296 PolarHBondContact O-NE2 2.86Å
280	L	81.1	Confident	75.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	32%	0.319	C	S	.	.	S	Bend	trans	-72.1	116.7	172.5	176.4	66	0	0	0	110.3	E89 Y162 F164 I166	E89-L280 HydrophobicContact CG-CD1 4.25Å; Y162-L280 HydrophobicContact CD1-CB 4.35Å; Y162-L280 HydrophobicContact CD2-CB 4.06Å; Y162-L280 HydrophobicContact CD2-CD1 3.97Å; Y162-L280 HydrophobicContact CE2-CB 4.28Å; Y162-L280 HydrophobicContact CE2-CD1 3.43Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.43Å; Y162-L280 HydrophobicContact CE2-CG 4.43Å; Y162-L280 HydrophobicContact CG-CB 4.09Å; F164-L280 PolarHBondContact O-N 2.91Å; I166-L280 HydrophobicContact CB-CD2 4.18Å
281	Y	70.1	Confident	76.5	Confident	73 Å²	73	61.1 Å²	61.1	29%	0.286	30%	0.3	S	S	.	.	S	Bend	trans	53.5	90.1	-176.8	-71.8	-98.3	0	0	0	114.2	E89 N134 V279 R293 H342	E89-Y281 HydrophobicContact CG-CE2 3.91Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.48Å; E89-Y281 PolarHBondContact OE1-OH 2.95Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.16Å; N134-Y281 WeakPolarHBondContact ND2-CE2 2.92Å; V279-Y281 PolarHBondContact O-N 2.84Å; Y281-R293 VanDerWaalsContact CD1-NH1 3.29Å; Y281-R293 VanDerWaalsContact CE2-NH1 3.33Å; Y281-R293 VanDerWaalsContact CZ-CZ 3.43Å; Y281-R293 PolarHBondContact OH-NH2 3.05Å; Y281-H342 PolarHBondContact OH-CE1 2.84Å; Y281-H342 PolarHBondContact OH-NE2 3.08Å
282	P	64	Low	77.1	Confident	23 Å²	23	59.9 Å²	59.9	15%	0.149	29%	0.293	C	S	.	.			trans	-62.9	155.7	169.6	30.2	-35.7	0	0	0	110.9	V279 D284 L292	V279-P282 HydrophobicContact CG1-CB 4.47Å; P282-D284 PolarHBondContact O-N 3.03Å; P282-D284 VanDerWaalsContact O-N 3.09Å; P282-L292 HydrophobicContact CB-CD2 3.97Å; P282-L292 HydrophobicContact CG-CB 4.25Å; P282-L292 HydrophobicContact CG-CD2 3.95Å; P282-L292 HydrophobicContact CG-CG 4.11Å
283	N	61.1	Low	77.7	Confident	74 Å²	74	55.6 Å²	55.6	40%	0.396	27%	0.27	S	S	.	.			trans	-60	114.1	171.4	-176.8	-2.8	0	0	0	109.4	N285	N283-N285 WeakPolarHBondContact OD1-CB 3.1Å; N283-N285 PolarHBondContact OD1-N 3.06Å; N283-N285 PolarHBondContact OD1-ND2 2.93Å
284	D	57.8	Low	78.3	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	7.1	-172.7	69.4	-36	0	0	0	113.3	P282 F286 K290	P282-D284 PolarHBondContact O-N 3.03Å; P282-D284 VanDerWaalsContact O-N 3.09Å; D284-F286 PolarHBondContact O-N 2.75Å; D284-F286 VanDerWaalsContact O-N 3.16Å; D284-K290 HydrophobicContact CB-CG 4.17Å; D284-K290 WeakPolarHBondContact O-CE 3.37Å; D284-K290 WeakPolarHBondContact O-CG 3.44Å
285	N	51.6	Low	78.6	Confident	106 Å²	106	56.1 Å²	56.1	57%	0.567	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.8	172.3	-73.4	-25.6	0	0	0	113	N283	N283-N285 WeakPolarHBondContact OD1-CB 3.1Å; N283-N285 PolarHBondContact OD1-N 3.06Å; N283-N285 PolarHBondContact OD1-ND2 2.93Å
286	F	61.1	Low	79	Confident	137 Å²	137	53.4 Å²	53.4	60%	0.601	26%	0.256	S	S	*	.	S	Bend	trans	-117.5	152.6	178.1	-57.2	-80.9	0	0	0	111.4	D284 E288 G289 K290	D284-F286 PolarHBondContact O-N 2.75Å; D284-F286 VanDerWaalsContact O-N 3.16Å; F286-E288 VanDerWaalsContact C-N 3.33Å; F286-E288 PolarHBondContact O-N 2.97Å; F286-G289 PolarHBondContact O-N 3.22Å; F286-G289 VanDerWaalsContact O-N 3.09Å; F286-K290 PolarHBondContact O-N 3.16Å
287	F	57.2	Low	79.1	Confident	133 Å²	133	53.3 Å²	53.3	58%	0.583	26%	0.256	S	S	*	.	H	α-helix	trans	-55.5	-44.2	-177.8	178.2	-94.4	0	0	0	113	G289 K290 E291 L392	F287-G289 VanDerWaalsContact C-N 3.27Å; F287-G289 PolarHBondContact O-N 2.82Å; F287-K290 WeakPolarHBondContact O-CB 3.43Å; F287-K290 PolarHBondContact O-N 3.38Å; F287-K290 VanDerWaalsContact O-N 3.13Å; F287-E291 PolarHBondContact O-N 3.32Å; F287-L392 HydrophobicContact CE2-CD1 4.19Å; F287-L392 HydrophobicContact CZ-CD1 3.92Å
288	E	67.4	Low	79.3	Confident	157 Å²	157	53.1 Å²	53.1	73%	0.734	26%	0.255	S	S	*	.	H	α-helix	trans	-61	-35.3	178.9	-63.1	169.5	160.8	0	0	112.3	F286 L292	F286-E288 VanDerWaalsContact C-N 3.33Å; F286-E288 PolarHBondContact O-N 2.97Å; E288-L292 WeakPolarHBondContact O-CB 3.3Å; E288-L292 PolarHBondContact O-N 3.15Å
289	G	76.1	Confident	79.7	Confident	8 Å²	8	50.3 Å²	50.3	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-38.4	176	0	0	0	0	0	112.6	F286 F287 R293	F286-G289 PolarHBondContact O-N 3.22Å; F286-G289 VanDerWaalsContact O-N 3.09Å; F287-G289 VanDerWaalsContact C-N 3.27Å; F287-G289 PolarHBondContact O-N 2.82Å; G289-R293 WeakPolarHBondContact O-CB 3.27Å; G289-R293 PolarHBondContact O-N 2.82Å
290	K	81.4	Confident	80.2	Confident	88 Å²	88	47.9 Å²	47.9	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-44.7	174.5	-72.7	-171.3	-178	-174.1	0	112.2	D284 F286 F287 R293 L294 W388	D284-K290 HydrophobicContact CB-CG 4.17Å; D284-K290 WeakPolarHBondContact O-CE 3.37Å; D284-K290 WeakPolarHBondContact O-CG 3.44Å; F286-K290 PolarHBondContact O-N 3.16Å; F287-K290 WeakPolarHBondContact O-CB 3.43Å; F287-K290 PolarHBondContact O-N 3.38Å; F287-K290 VanDerWaalsContact O-N 3.13Å; K290-R293 PolarHBondContact O-N 2.99Å; K290-L294 PolarHBondContact O-N 3.34Å; K290-L294 VanDerWaalsContact O-N 3.08Å; K290-W388 HydrophobicContact CB-CZ3 3.98Å; K290-W388 HydrophobicContact CG-CZ3 4.48Å; K290-W388 WeakPolarHBondContact O-CH2 3.28Å; K290-W388 VanDerWaalsContact O-CZ3 3.31Å; K290-W388 WeakPolarHBondContact O-CZ3 3.39Å
291	E	90.6	Very high	81.1	Confident	25 Å²	25	47.6 Å²	47.6	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176.2	-177.1	176.8	-171.3	0	0	111.8	Y204 F287 R293 L294 K295 L392	Y204-E291 VanDerWaalsContact CE1-OE1 3.32Å; Y204-E291 WeakPolarHBondContact CE1-OE1 3.42Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.28Å; Y204-E291 PolarHBondContact OH-OE1 2.88Å; F287-E291 PolarHBondContact O-N 3.32Å; E291-R293 VanDerWaalsContact C-N 3.26Å; E291-R293 PolarHBondContact O-N 3.38Å; E291-L294 PolarHBondContact O-N 2.8Å; E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 3.24Å; E291-K295 IonicContact OE1-NZ 3.02Å; E291-L392 HydrophobicContact CB-CD1 3.89Å; E291-L392 HydrophobicContact CG-CD1 4.02Å
292	L	91.5	Very high	82.4	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.188	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-38.2	177.1	-179.4	59.2	0	0	0	111.7	I276 P282 E288 K295 Q296	I276-L292 HydrophobicContact CG1-CD1 4.33Å; P282-L292 HydrophobicContact CB-CD2 3.97Å; P282-L292 HydrophobicContact CG-CB 4.25Å; P282-L292 HydrophobicContact CG-CD2 3.95Å; P282-L292 HydrophobicContact CG-CG 4.11Å; E288-L292 WeakPolarHBondContact O-CB 3.3Å; E288-L292 PolarHBondContact O-N 3.15Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 2.7Å; L292-Q296 WeakPolarHBondContact O-CG 3.49Å; L292-Q296 PolarHBondContact O-N 2.82Å
293	R	91.6	Very high	84.1	Confident	11 Å²	11	43 Å²	43	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-47.6	175.9	177	59.1	-174.8	-160.5	-5.7	112.2	Y281 G289 K290 E291 K295 Q296 E297 H342 W388	Y281-R293 VanDerWaalsContact CD1-NH1 3.29Å; Y281-R293 VanDerWaalsContact CE2-NH1 3.33Å; Y281-R293 VanDerWaalsContact CZ-CZ 3.43Å; Y281-R293 PolarHBondContact OH-NH2 3.05Å; G289-R293 WeakPolarHBondContact O-CB 3.27Å; G289-R293 PolarHBondContact O-N 2.82Å; K290-R293 PolarHBondContact O-N 2.99Å; E291-R293 VanDerWaalsContact C-N 3.26Å; E291-R293 PolarHBondContact O-N 3.38Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 3.49Å; R293-Q296 WeakPolarHBondContact O-CB 3.31Å; R293-Q296 PolarHBondContact O-N 3.32Å; R293-Q296 VanDerWaalsContact O-N 3.1Å; R293-E297 IonicContact CZ-OE1 3.63Å; R293-E297 IonicContact NE-OE1 2.84Å; R293-E297 PolarHBondContact NE-OE1 2.73Å; R293-E297 IonicContact NH2-OE1 2.59Å; R293-E297 PolarHBondContact O-N 3.32Å; R293-H342 PolarHBondContact NH2-CD2 2.97Å; R293-H342 PolarHBondContact NH2-NE2 2.84Å; R293-W388 HydrophobicContact CB-CH2 3.92Å; R293-W388 HydrophobicContact CG-CH2 3.7Å; R293-W388 HydrophobicContact CG-CZ2 3.93Å
294	L	95.2	Very high	85.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-35.4	175.9	-174	62.2	0	0	0	111.9	K290 E291 E297 Y298 L345 W388 L392 F393 L396	K290-L294 PolarHBondContact O-N 3.34Å; K290-L294 VanDerWaalsContact O-N 3.08Å; E291-L294 PolarHBondContact O-N 2.8Å; L294-E297 PolarHBondContact O-N 3.09Å; L294-Y298 PolarHBondContact O-N 2.98Å; L294-L345 HydrophobicContact CD1-CD1 3.88Å; L294-W388 HydrophobicContact CB-CH2 4.29Å; L294-W388 HydrophobicContact CB-CZ2 4.42Å; L294-W388 HydrophobicContact CB-CZ3 4.33Å; L294-W388 HydrophobicContact CD1-CD2 4.26Å; L294-W388 HydrophobicContact CD1-CG 4.42Å; L294-L392 HydrophobicContact CB-CD2 4.43Å; L294-L392 HydrophobicContact CD2-CD2 3.83Å; L294-L392 HydrophobicContact CD2-CG 3.89Å; L294-F393 HydrophobicContact CD1-CE2 3.71Å; L294-F393 HydrophobicContact CD1-CZ 3.87Å; L294-F393 HydrophobicContact CD2-CD2 3.77Å; L294-F393 HydrophobicContact CD2-CE2 3.64Å; L294-F393 HydrophobicContact CD2-CZ 4.35Å; L294-F393 HydrophobicContact CG-CE2 4.35Å; L294-L396 HydrophobicContact CB-CD2 4.14Å; L294-L396 HydrophobicContact CD2-CD2 3.82Å; L294-L396 HydrophobicContact CG-CD2 3.88Å
295	K	96.6	Very high	87.8	Confident	34 Å²	34	35.2 Å²	35.2	15%	0.148	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-42.4	171.9	-74.8	179	177	175.4	0	112.3	F203 Y204 I276 E291 L292 R293 F299 L396	F203-K295 HydrophobicContact CD1-CG 4.03Å; F203-K295 HydrophobicContact CE1-CB 3.93Å; F203-K295 HydrophobicContact CE1-CG 3.78Å; F203-K295 HydrophobicContact CZ-CB 4.14Å; F203-K295 HydrophobicContact CZ-CG 4.3Å; Y204-K295 VanDerWaalsContact OH-CE 3.23Å; Y204-K295 WeakPolarHBondContact OH-CE 3.24Å; Y204-K295 PolarHBondContact OH-NZ 3Å; I276-K295 HydrophobicContact CD1-CB 4.28Å; I276-K295 HydrophobicContact CG1-CB 4.2Å; E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 3.24Å; E291-K295 IonicContact OE1-NZ 3.02Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 2.7Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 3.49Å; K295-F299 WeakPolarHBondContact O-CB 3.33Å; K295-F299 PolarHBondContact O-N 2.9Å; K295-L396 HydrophobicContact CD-CD1 4.36Å; K295-L396 HydrophobicContact CG-CD1 3.9Å; K295-L396 HydrophobicContact CG-CD2 3.77Å; K295-L396 HydrophobicContact CG-CG 4.45Å
296	Q	96.9	Very high	90	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-48.8	175.3	-74.7	177.2	-14.8	0	0	111.6	L88 I160 I276 V279 L292 R293 F299 V300	L88-Q296 HydrophobicContact CD2-CB 4.47Å; I160-Q296 HydrophobicContact CD1-CB 3.78Å; I160-Q296 HydrophobicContact CD1-CG 4.19Å; I160-Q296 WeakPolarHBondContact CD1-O 3.48Å; I276-Q296 HydrophobicContact CG2-CG 4.06Å; I276-Q296 WeakPolarHBondContact O-CG 3.42Å; I276-Q296 PolarHBondContact O-NE2 3.04Å; V279-Q296 PolarHBondContact O-NE2 2.86Å; L292-Q296 WeakPolarHBondContact O-CG 3.49Å; L292-Q296 PolarHBondContact O-N 2.82Å; R293-Q296 WeakPolarHBondContact O-CB 3.31Å; R293-Q296 PolarHBondContact O-N 3.32Å; R293-Q296 VanDerWaalsContact O-N 3.1Å; Q296-F299 PolarHBondContact O-N 3Å; Q296-V300 PolarHBondContact O-N 3.38Å; Q296-V300 VanDerWaalsContact O-N 3.14Å
297	E	97.7	Very high	91.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-48.7	179.3	-71.6	171.6	-164.5	0	0	111.8	L88 R293 L294 V300 V301 H342 L345 E386 W388	L88-E297 HydrophobicContact CD1-CG 4.44Å; L88-E297 HydrophobicContact CD2-CG 3.57Å; R293-E297 IonicContact CZ-OE1 3.63Å; R293-E297 IonicContact NE-OE1 2.84Å; R293-E297 PolarHBondContact NE-OE1 2.73Å; R293-E297 IonicContact NH2-OE1 2.59Å; R293-E297 PolarHBondContact O-N 3.32Å; L294-E297 PolarHBondContact O-N 3.09Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.22Å; E297-V301 WeakPolarHBondContact O-CB 3.4Å; E297-V301 VanDerWaalsContact O-CG2 3.28Å; E297-V301 WeakPolarHBondContact O-CG2 3.41Å; E297-V301 PolarHBondContact O-N 3.02Å; E297-H342 WeakPolarHBondContact CB-O 3.34Å; E297-H342 HydrophobicContact CG-CB 4.46Å; E297-H342 VanDerWaalsContact CG-O 3.25Å; E297-H342 WeakPolarHBondContact CG-O 3.25Å; E297-L345 HydrophobicContact CB-CD1 4.36Å; E297-E386 VanDerWaalsContact OE1-OE1 3.04Å; E297-W388 PolarHBondContact OE2-NE1 3.16Å
298	Y	98.6	Very high	93.7	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-67.4	-38.8	177.6	-174.6	-110.4	0	0	0	112.6	V201 H202 F203 W216 L294 V300 V301 A302 L345 E349 L397 H400	V201-Y298 HydrophobicContact CG1-CD1 4.01Å; V201-Y298 HydrophobicContact CG1-CE1 3.89Å; H202-Y298 WeakPolarHBondContact O-CE1 3.47Å; F203-Y298 HydrophobicContact CD1-CD1 4.07Å; F203-Y298 AromaticContact CE1-CD1 3.57Å; F203-Y298 HydrophobicContact CE1-CD1 3.57Å; F203-Y298 HydrophobicContact CE1-CG 4.33Å; F203-Y298 HydrophobicContact CZ-CD1 4.1Å; W216-Y298 HydrophobicContact CH2-CE1 4.17Å; W216-Y298 HydrophobicContact CZ3-CE1 4.44Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.35Å; L294-Y298 PolarHBondContact O-N 2.98Å; Y298-V300 PolarHBondContact O-N 3.41Å; Y298-V301 PolarHBondContact O-N 3.3Å; Y298-A302 HydrophobicContact CD1-CB 4.39Å; Y298-A302 HydrophobicContact CE1-CB 3.89Å; Y298-A302 HydrophobicContact CE2-CB 4.1Å; Y298-A302 WeakPolarHBondContact O-CB 3.48Å; Y298-A302 PolarHBondContact O-N 2.97Å; Y298-L345 HydrophobicContact CD2-CB 4.45Å; Y298-L345 HydrophobicContact CD2-CD1 4.07Å; Y298-L345 HydrophobicContact CG-CD1 4.38Å; Y298-E349 HydrophobicContact CE2-CB 4.34Å; Y298-E349 HydrophobicContact CE2-CG 4.35Å; Y298-E349 PolarHBondContact OH-OE2 2.83Å; Y298-L397 HydrophobicContact CD1-CD2 3.55Å; Y298-L397 HydrophobicContact CD2-CD1 3.99Å; Y298-L397 HydrophobicContact CD2-CD2 3.94Å; Y298-L397 HydrophobicContact CE1-CD2 3.74Å; Y298-L397 HydrophobicContact CE2-CD2 4.13Å; Y298-L397 HydrophobicContact CG-CD1 3.95Å; Y298-L397 HydrophobicContact CG-CD2 3.64Å; Y298-L397 HydrophobicContact CG-CG 4.46Å; Y298-H400 AromaticContact CE2-CD2 3.95Å; Y298-H400 AromaticContact CE2-CE1 3.52Å; Y298-H400 AromaticContact CE2-NE2 3.22Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.36Å; Y298-H400 AromaticContact CZ-CE1 3.56Å; Y298-H400 AromaticContact CZ-NE2 3.66Å; Y298-H400 PolarHBondContact OH-CE1 3.25Å; Y298-H400 VanDerWaalsContact OH-CE1 3.28Å; Y298-H400 PolarHBondContact OH-NE2 3.2Å
299	F	98.6	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-49.4	-178.9	175.5	-102.7	0	0	0	112.6	V201 F203 V222 A224 W245 A247 I276 K295 Q296 V301 A303	V201-F299 HydrophobicContact CB-CD2 4.11Å; V201-F299 HydrophobicContact CG1-CD2 4.18Å; V201-F299 HydrophobicContact CG2-CD2 3.87Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; F203-F299 HydrophobicContact CZ-CB 4.22Å; V222-F299 HydrophobicContact CG1-CD2 4.48Å; V222-F299 HydrophobicContact CG1-CE2 4.07Å; A224-F299 HydrophobicContact CB-CE1 4.49Å; A224-F299 HydrophobicContact CB-CE2 3.58Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; W245-F299 HydrophobicContact CB-CD1 4.36Å; W245-F299 HydrophobicContact CB-CE1 3.51Å; W245-F299 HydrophobicContact CB-CZ 4.03Å; A247-F299 HydrophobicContact CB-CE1 4.28Å; A247-F299 HydrophobicContact CB-CE2 4Å; A247-F299 HydrophobicContact CB-CZ 3.76Å; I276-F299 HydrophobicContact CG2-CB 3.77Å; I276-F299 HydrophobicContact CG2-CD1 3.89Å; I276-F299 HydrophobicContact CG2-CD2 4.33Å; I276-F299 HydrophobicContact CG2-CG 3.75Å; K295-F299 WeakPolarHBondContact O-CB 3.33Å; K295-F299 PolarHBondContact O-N 2.9Å; Q296-F299 PolarHBondContact O-N 3Å; F299-V301 VanDerWaalsContact C-N 3.32Å; F299-V301 PolarHBondContact O-N 3.46Å; F299-A303 WeakPolarHBondContact O-CB 3.31Å; F299-A303 PolarHBondContact O-N 3.5Å
300	V	98.3	Very high	95.9	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-39.8	177.6	64	0	0	0	0	111.1	L88 I160 Q296 E297 Y298 T304	L88-V300 HydrophobicContact CD1-CG1 3.64Å; L88-V300 HydrophobicContact CG-CG1 4.39Å; I160-V300 HydrophobicContact CD1-CB 4.25Å; I160-V300 HydrophobicContact CG1-CB 3.88Å; I160-V300 HydrophobicContact CG1-CG2 4.35Å; Q296-V300 PolarHBondContact O-N 3.38Å; Q296-V300 VanDerWaalsContact O-N 3.14Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.22Å; Y298-V300 PolarHBondContact O-N 3.41Å; V300-T304 WeakPolarHBondContact O-CB 3.45Å; V300-T304 PolarHBondContact O-N 3.39Å; V300-T304 VanDerWaalsContact O-N 3.09Å; V300-T304 PolarHBondContact O-OG1 3.15Å
301	V	98.8	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-54.7	-180	162.6	0	0	0	0	111.4	E297 Y298 F299 A303 T304 L305 P343 L345 A346 E349	E297-V301 WeakPolarHBondContact O-CB 3.4Å; E297-V301 VanDerWaalsContact O-CG2 3.28Å; E297-V301 WeakPolarHBondContact O-CG2 3.41Å; E297-V301 PolarHBondContact O-N 3.02Å; Y298-V301 PolarHBondContact O-N 3.3Å; F299-V301 VanDerWaalsContact C-N 3.32Å; F299-V301 PolarHBondContact O-N 3.46Å; V301-A303 PolarHBondContact O-N 3.18Å; V301-T304 PolarHBondContact O-N 2.68Å; V301-L305 HydrophobicContact CG1-CD1 3.88Å; V301-L305 PolarHBondContact O-N 3.37Å; V301-P343 HydrophobicContact CG2-CB 4.17Å; V301-L345 HydrophobicContact CB-CB 4.48Å; V301-L345 HydrophobicContact CG1-CB 4.27Å; V301-L345 HydrophobicContact CG2-CB 4.25Å; V301-A346 VanDerWaalsContact CG1-CA 3.44Å; V301-A346 HydrophobicContact CG1-CB 4.05Å; V301-A346 HydrophobicContact CG2-CB 4.25Å; V301-E349 HydrophobicContact CG1-CB 3.83Å; V301-E349 HydrophobicContact CG1-CG 4.08Å
302	A	98.8	Very high	96.7	Very high	1 Å²	1	10 Å²	10	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-63.5	-44	-174	0	0	0	0	0	111.7	V201 Y298 Q306	V201-A302 HydrophobicContact CG1-CB 3.99Å; V201-A302 HydrophobicContact CG2-CB 4.18Å; Y298-A302 HydrophobicContact CD1-CB 4.39Å; Y298-A302 HydrophobicContact CE1-CB 3.89Å; Y298-A302 HydrophobicContact CE2-CB 4.1Å; Y298-A302 WeakPolarHBondContact O-CB 3.48Å; Y298-A302 PolarHBondContact O-N 2.97Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.2Å; A302-Q306 PolarHBondContact O-N 2.99Å; A302-Q306 PolarHBondContact O-NE2 3.22Å
303	A	98.6	Very high	96.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.2	-41.4	177.3	0	0	0	0	0	111.7	V201 A224 W245 F299 V301 D307	V201-A303 HydrophobicContact CG2-CB 4.16Å; 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 4.03Å; W245-A303 HydrophobicContact CG-CB 4.03Å; W245-A303 HydrophobicContact CH2-CB 4.26Å; W245-A303 HydrophobicContact CZ2-CB 3.91Å; W245-A303 WeakPolarHBondContact CZ2-O 3.41Å; W245-A303 HydrophobicContact CZ3-CB 4.29Å; F299-A303 WeakPolarHBondContact O-CB 3.31Å; F299-A303 PolarHBondContact O-N 3.5Å; V301-A303 PolarHBondContact O-N 3.18Å; A303-D307 PolarHBondContact O-N 3.33Å
304	T	98.8	Very high	96.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.4	-47	-178.8	-61.4	0	0	0	0	112.1	L86 Y158 W245 V300 V301 Q306 D307 I308	L86-T304 HydrophobicContact CD1-CG2 3.88Å; L86-T304 HydrophobicContact CD2-CG2 4.27Å; L86-T304 HydrophobicContact CG-CG2 4.1Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.22Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.15Å; Y158-T304 HydrophobicContact CD2-CG2 3.94Å; Y158-T304 HydrophobicContact CE1-CG2 3.93Å; Y158-T304 HydrophobicContact CE2-CG2 4.38Å; Y158-T304 HydrophobicContact CG-CG2 3.46Å; Y158-T304 VanDerWaalsContact CG-CG2 3.46Å; W245-T304 PolarHBondContact NE1-OG1 2.98Å; V300-T304 WeakPolarHBondContact O-CB 3.45Å; V300-T304 PolarHBondContact O-N 3.39Å; V300-T304 VanDerWaalsContact O-N 3.09Å; V300-T304 PolarHBondContact O-OG1 3.15Å; V301-T304 PolarHBondContact O-N 2.68Å; T304-Q306 PolarHBondContact O-N 2.63Å; T304-D307 PolarHBondContact O-N 2.88Å; T304-D307 VanDerWaalsContact O-N 3.09Å; T304-I308 HydrophobicContact CG2-CD1 3.7Å; T304-I308 HydrophobicContact CG2-CG1 4.23Å; T304-I308 WeakPolarHBondContact O-CG1 3.23Å; T304-I308 PolarHBondContact O-N 2.69Å
305	L	98.7	Very high	95.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.8	-40.4	-179.2	-75	176	0	0	0	112.2	V301 D307 I308 I309 I336 A346 E349 L350 I353	V301-L305 HydrophobicContact CG1-CD1 3.88Å; V301-L305 PolarHBondContact O-N 3.37Å; L305-D307 VanDerWaalsContact C-N 3.28Å; L305-D307 PolarHBondContact O-N 2.64Å; L305-I308 HydrophobicContact CD2-CD1 4.45Å; L305-I308 PolarHBondContact O-N 2.66Å; L305-I309 WeakPolarHBondContact O-CB 3.34Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.2Å; L305-I309 PolarHBondContact O-N 2.94Å; L305-I336 HydrophobicContact CD2-CD1 3.55Å; L305-A346 HydrophobicContact CD1-CB 4.31Å; L305-E349 HydrophobicContact CD1-CB 3.75Å; L305-E349 HydrophobicContact CD1-CG 3.54Å; L305-L350 HydrophobicContact CD1-CB 4.06Å; L305-L350 HydrophobicContact CD2-CB 4.46Å; L305-L350 HydrophobicContact CD2-CD1 4.44Å; L305-I353 HydrophobicContact CB-CD1 4Å
306	Q	98.3	Very high	94.6	Very high	49 Å²	49	14.4 Å²	14.4	23%	0.229	7%	0.066	C	C	.	.	H	α-helix	trans	-58.9	-41	172.3	-72.5	176	72.4	0	0	111.9	R199 P200 A302 T304 R310	R199-Q306 HydrophobicContact CG-CB 4.38Å; P200-Q306 PolarHBondContact O-NE2 2.73Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.2Å; A302-Q306 PolarHBondContact O-N 2.99Å; A302-Q306 PolarHBondContact O-NE2 3.22Å; T304-Q306 PolarHBondContact O-N 2.63Å; Q306-R310 VanDerWaalsContact O-CB 3.27Å; Q306-R310 WeakPolarHBondContact O-CB 3.42Å; Q306-R310 PolarHBondContact O-N 2.85Å
307	D	97.8	Very high	93.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.7	-37.4	178.5	-165	48	0	0	0	113.1	Y158 R243 W245 A303 T304 L305 R310 R311	Y158-D307 PolarHBondContact OH-OD2 3.03Å; R243-D307 IonicContact CZ-OD2 3.01Å; R243-D307 VanDerWaalsContact NH1-CG 3.34Å; R243-D307 IonicContact NH1-OD1 3.79Å; R243-D307 PolarHBondContact NH1-OD1 3.38Å; R243-D307 IonicContact NH1-OD2 3.68Å; R243-D307 PolarHBondContact NH1-OD2 3.29Å; W245-D307 HydrophobicContact CH2-CB 4.07Å; W245-D307 HydrophobicContact CZ2-CB 4.01Å; A303-D307 PolarHBondContact O-N 3.33Å; T304-D307 PolarHBondContact O-N 2.88Å; T304-D307 VanDerWaalsContact O-N 3.09Å; L305-D307 VanDerWaalsContact C-N 3.28Å; L305-D307 PolarHBondContact O-N 2.64Å; D307-R310 IonicContact OD1-CZ 2.63Å; D307-R310 VanDerWaalsContact OD1-CZ 3.26Å; D307-R310 IonicContact OD1-NE 2.65Å; D307-R310 PolarHBondContact OD1-NE 2.95Å; D307-R310 IonicContact OD1-NH2 3.82Å; D307-R310 PolarHBondContact OD1-NH2 3.35Å; D307-R310 IonicContact OD2-NH2 2.97Å; D307-R311 WeakPolarHBondContact O-CB 3.41Å; D307-R311 PolarHBondContact O-N 2.88Å; D307-R311 IonicContact OD2-CZ 3.66Å; D307-R311 IonicContact OD2-NH1 3.88Å; D307-R311 IonicContact OD2-NH2 2.7Å; D307-R311 PolarHBondContact OD2-NH2 3.28Å
308	I	97.6	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-50.7	174.3	-70.4	171.4	0	0	0	110.3	Y84 T304 L305 R310 R311 F312 M330 V334 I336	Y84-I308 HydrophobicContact CD1-CD1 3.92Å; Y84-I308 HydrophobicContact CD1-CG1 3.78Å; Y84-I308 HydrophobicContact CD2-CD1 3.67Å; Y84-I308 HydrophobicContact CD2-CG1 3.84Å; Y84-I308 HydrophobicContact CD2-CG2 4.15Å; Y84-I308 HydrophobicContact CE1-CD1 4.47Å; Y84-I308 HydrophobicContact CE1-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CB 4.39Å; Y84-I308 HydrophobicContact CE2-CD1 4.22Å; Y84-I308 HydrophobicContact CE2-CG1 3.88Å; Y84-I308 HydrophobicContact CE2-CG2 3.79Å; Y84-I308 HydrophobicContact CG-CD1 3.46Å; Y84-I308 VanDerWaalsContact CG-CD1 3.46Å; Y84-I308 HydrophobicContact CG-CG1 3.76Å; T304-I308 HydrophobicContact CG2-CD1 3.7Å; T304-I308 HydrophobicContact CG2-CG1 4.23Å; T304-I308 WeakPolarHBondContact O-CG1 3.23Å; T304-I308 PolarHBondContact O-N 2.69Å; L305-I308 HydrophobicContact CD2-CD1 4.45Å; L305-I308 PolarHBondContact O-N 2.66Å; I308-R310 VanDerWaalsContact C-N 3.33Å; I308-R310 PolarHBondContact O-N 3.24Å; I308-R311 PolarHBondContact O-N 2.91Å; I308-R311 VanDerWaalsContact O-N 3.15Å; I308-F312 WeakPolarHBondContact O-CB 3.39Å; I308-F312 PolarHBondContact O-N 3.33Å; I308-M330 HydrophobicContact CG2-CE 4.02Å; I308-V334 HydrophobicContact CG2-CG1 3.68Å; I308-V334 HydrophobicContact CG2-CG2 4.13Å; I308-I336 HydrophobicContact CD1-CD1 4.02Å; I308-I336 HydrophobicContact CD1-CG1 4.16Å
309	I	95.9	Very high	90.4	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.051	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-42.4	-178.6	-68.6	169.5	0	0	0	110.3	L305 R311 F312 K313 M330 L350 I353	L305-I309 WeakPolarHBondContact O-CB 3.34Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.2Å; L305-I309 PolarHBondContact O-N 2.94Å; I309-R311 PolarHBondContact O-N 2.88Å; I309-F312 WeakPolarHBondContact O-CB 3.43Å; I309-F312 PolarHBondContact O-N 3.49Å; I309-K313 HydrophobicContact CG2-CD 4.22Å; I309-K313 HydrophobicContact CG2-CG 4.5Å; I309-K313 WeakPolarHBondContact O-CG 3.16Å; I309-K313 PolarHBondContact O-N 3.39Å; I309-M330 HydrophobicContact CG1-CE 4.11Å; I309-L350 HydrophobicContact CD1-CD1 4.15Å; I309-I353 HydrophobicContact CD1-CB 4.14Å; I309-I353 HydrophobicContact CD1-CD1 3.85Å; I309-I353 HydrophobicContact CD1-CG2 3.48Å; I309-I353 VanDerWaalsContact CD1-CG2 3.48Å
310	R	94	Very high	89.1	Confident	51 Å²	51	31 Å²	31	19%	0.192	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-49.2	172.2	179	-166.7	67.2	77	1.2	111.7	R199 Q306 D307 I308 F312 K313 A314	R199-R310 VanDerWaalsContact NH2-NE 3.18Å; Q306-R310 VanDerWaalsContact O-CB 3.27Å; Q306-R310 WeakPolarHBondContact O-CB 3.42Å; Q306-R310 PolarHBondContact O-N 2.85Å; D307-R310 IonicContact OD1-CZ 2.63Å; D307-R310 VanDerWaalsContact OD1-CZ 3.26Å; D307-R310 IonicContact OD1-NE 2.65Å; D307-R310 PolarHBondContact OD1-NE 2.95Å; D307-R310 IonicContact OD1-NH2 3.82Å; D307-R310 PolarHBondContact OD1-NH2 3.35Å; D307-R310 IonicContact OD2-NH2 2.97Å; I308-R310 VanDerWaalsContact C-N 3.33Å; I308-R310 PolarHBondContact O-N 3.24Å; R310-F312 VanDerWaalsContact C-N 3.3Å; R310-F312 PolarHBondContact O-N 3.45Å; R310-K313 PolarHBondContact O-N 3.28Å; R310-A314 WeakPolarHBondContact O-CB 3.48Å; R310-A314 PolarHBondContact O-N 2.97Å
311	R	93.6	Very high	88.1	Confident	9 Å²	9	37.1 Å²	37.1	3%	0.034	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-33.4	179.8	-168.7	179.7	-63.5	108.8	1	112	Y84 Y158 D307 I308 I309 A314	Y84-R311 WeakPolarHBondContact OH-CD 3.4Å; Y84-R311 PolarHBondContact OH-NH1 3.21Å; Y158-R311 PolarHBondContact OH-NH1 2.82Å; Y158-R311 PolarHBondContact OH-NH2 2.95Å; Y158-R311 VanDerWaalsContact OH-NH2 3.08Å; D307-R311 WeakPolarHBondContact O-CB 3.41Å; D307-R311 PolarHBondContact O-N 2.88Å; D307-R311 IonicContact OD2-CZ 3.66Å; D307-R311 IonicContact OD2-NH1 3.88Å; D307-R311 IonicContact OD2-NH2 2.7Å; D307-R311 PolarHBondContact OD2-NH2 3.28Å; I308-R311 PolarHBondContact O-N 2.91Å; I308-R311 VanDerWaalsContact O-N 3.15Å; I309-R311 PolarHBondContact O-N 2.88Å; R311-A314 CarbonylContact O-C 3.59Å
312	F	94.6	Very high	87.4	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-45.6	173.9	173.9	-92.2	0	0	0	111.7	I308 I309 R310 R324 L327 K329 M330 K333 V334	I308-F312 WeakPolarHBondContact O-CB 3.39Å; I308-F312 PolarHBondContact O-N 3.33Å; I309-F312 WeakPolarHBondContact O-CB 3.43Å; I309-F312 PolarHBondContact O-N 3.49Å; R310-F312 VanDerWaalsContact C-N 3.3Å; R310-F312 PolarHBondContact O-N 3.45Å; F312-R324 HydrophobicContact CE1-CB 4.4Å; F312-R324 VanDerWaalsContact CE1-CD 3.43Å; F312-R324 HydrophobicContact CE1-CG 3.8Å; F312-R324 HydrophobicContact CE2-CG 4.4Å; F312-R324 HydrophobicContact CZ-CG 3.78Å; F312-R324 PolarHBondContact O-NH1 3.27Å; F312-L327 HydrophobicContact CD1-CD2 4.05Å; F312-L327 HydrophobicContact CE1-CD2 3.79Å; F312-K329 HydrophobicContact CZ-CB 4.35Å; F312-M330 HydrophobicContact CD2-CB 4.43Å; F312-M330 HydrophobicContact CD2-CG 4.39Å; F312-M330 HydrophobicContact CE2-CB 3.96Å; F312-M330 HydrophobicContact CE2-CG 4.41Å; F312-M330 HydrophobicContact CZ-CB 4Å; F312-K333 HydrophobicContact CD2-CB 4.09Å; F312-K333 HydrophobicContact CE2-CB 4.01Å; F312-K333 HydrophobicContact CE2-CG 4.46Å; F312-V334 HydrophobicContact CD2-CG2 3.99Å
313	K	92.4	Very high	86.7	Confident	19 Å²	19	46.5 Å²	46.5	8%	0.083	25%	0.254	C	S	.	.	H	α-helix	trans	-70.8	-45.3	179.3	-70.9	-176.5	168.5	-174.5	0	112.4	I309 R310 S315 F322 V323 R324 E358	I309-K313 HydrophobicContact CG2-CD 4.22Å; I309-K313 HydrophobicContact CG2-CG 4.5Å; I309-K313 WeakPolarHBondContact O-CG 3.16Å; I309-K313 PolarHBondContact O-N 3.39Å; R310-K313 PolarHBondContact O-N 3.28Å; K313-S315 PolarHBondContact O-N 3.32Å; K313-F322 HydrophobicContact CB-CB 4.37Å; K313-F322 HydrophobicContact CB-CD1 3.68Å; K313-F322 HydrophobicContact CB-CE1 4.14Å; K313-F322 HydrophobicContact CB-CG 4.04Å; K313-F322 HydrophobicContact CD-CD1 4.42Å; K313-F322 HydrophobicContact CD-CD2 4.26Å; K313-F322 HydrophobicContact CD-CE1 4.43Å; K313-F322 HydrophobicContact CD-CE2 4.27Å; K313-F322 HydrophobicContact CD-CG 4.34Å; K313-F322 HydrophobicContact CD-CZ 4.35Å; K313-V323 PolarHBondContact O-N 2.93Å; K313-R324 PolarHBondContact O-N 3.13Å; K313-R324 VanDerWaalsContact O-N 3.16Å; K313-E358 IonicContact NZ-OE1 2.8Å; K313-E358 PolarHBondContact NZ-OE1 3.41Å; K313-E358 IonicContact NZ-OE2 3.86Å; K313-E358 PolarHBondContact NZ-OE2 3.11Å
314	A	85.8	Confident	86.1	Confident	6 Å²	6	48 Å²	48	5%	0.05	26%	0.26	C	S	.	.			trans	-96	71	179.6	0	0	0	0	0	110.9	R310 R311 K316	R310-A314 WeakPolarHBondContact O-CB 3.48Å; R310-A314 PolarHBondContact O-N 2.97Å; R311-A314 CarbonylContact O-C 3.59Å; A314-K316 VanDerWaalsContact C-N 3.26Å; A314-K316 PolarHBondContact O-N 2.93Å
315	S	78.8	Confident	85.5	Confident	20 Å²	20	53.9 Å²	53.9	14%	0.14	29%	0.29	C	S	.	.			trans	-81.3	4	-176.2	64.3	0	0	0	0	114.6	K313	K313-S315 PolarHBondContact O-N 3.32Å
316	K	73.5	Confident	85.1	Confident	130 Å²	130	57 Å²	57	57%	0.565	31%	0.307	S	S	*	.	S	Bend	trans	-106.5	129.6	179.2	-173.6	177.2	-179.7	-178.2	0	110.8	A314 G318 S319 V323	A314-K316 VanDerWaalsContact C-N 3.26Å; A314-K316 PolarHBondContact O-N 2.93Å; K316-G318 PolarHBondContact O-N 2.84Å; K316-S319 PolarHBondContact O-N 3.33Å; K316-V323 HydrophobicContact CB-CG2 4.46Å
317	F	68.6	Low	84.8	Confident	99 Å²	99	55.1 Å²	55.1	43%	0.434	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	132.6	-179.1	-170	-107.1	0	0	0	111.4	Y76 S319	Y76-F317 HydrophobicContact CD1-CB 4.36Å; Y76-F317 HydrophobicContact CD2-CB 4.44Å; Y76-F317 AromaticContact CD2-CD2 3.49Å; Y76-F317 HydrophobicContact CD2-CD2 3.49Å; Y76-F317 VanDerWaalsContact CD2-CD2 3.49Å; Y76-F317 HydrophobicContact CD2-CE2 4.25Å; Y76-F317 HydrophobicContact CD2-CG 4.44Å; Y76-F317 AromaticContact CE2-CD2 3.94Å; Y76-F317 HydrophobicContact CE2-CD2 3.94Å; Y76-F317 HydrophobicContact CE2-CE2 4.45Å; Y76-F317 HydrophobicContact CG-CB 3.94Å; Y76-F317 AromaticContact CG-CD2 3.87Å; Y76-F317 HydrophobicContact CG-CD2 3.87Å; Y76-F317 HydrophobicContact CG-CG 4.42Å; F317-S319 PolarHBondContact O-N 2.97Å; F317-S319 VanDerWaalsContact O-N 3.16Å
318	G	65.9	Low	84.5	Confident	81 Å²	81	56.9 Å²	56.9	84%	0.835	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	2.8	176.9	0	0	0	0	0	115.8	K316	K316-G318 PolarHBondContact O-N 2.84Å
319	S	70.3	Confident	84.3	Confident	38 Å²	38	62.1 Å²	62.1	27%	0.266	33%	0.333	S	S	.	.			trans	-104.3	141.7	175.6	-171.9	0	0	0	0	111.4	K316 F317 E321	K316-S319 PolarHBondContact O-N 3.33Å; F317-S319 PolarHBondContact O-N 2.97Å; F317-S319 VanDerWaalsContact O-N 3.16Å; S319-E321 VanDerWaalsContact OG-CB 3.22Å; S319-E321 WeakPolarHBondContact OG-CB 3.28Å; S319-E321 PolarHBondContact OG-N 3.4Å
320	T	72.1	Confident	84.3	Confident	134 Å²	134	61.6 Å²	61.6	82%	0.822	33%	0.331	S	S	*	.			trans	-93.7	-3.5	167.9	52.3	0	0	0	0	112.4
321	E	77.8	Confident	84.4	Confident	129 Å²	129	59.4 Å²	59.4	60%	0.603	32%	0.323	S	S	*	.	S	Bend	trans	-65.8	134.1	179.8	-169.1	-179.1	-174.8	0	0	111.1	S319 V323	S319-E321 VanDerWaalsContact OG-CB 3.22Å; S319-E321 WeakPolarHBondContact OG-CB 3.28Å; S319-E321 PolarHBondContact OG-N 3.4Å; E321-V323 PolarHBondContact O-N 3.45Å
322	F	83.8	Confident	84.6	Confident	112 Å²	112	63.6 Å²	63.6	49%	0.491	35%	0.346	S	S	.	.			trans	-80.2	105	174.9	-63.8	-18.3	0	0	0	109.7	K313 L325	K313-F322 HydrophobicContact CB-CB 4.37Å; K313-F322 HydrophobicContact CB-CD1 3.68Å; K313-F322 HydrophobicContact CB-CE1 4.14Å; K313-F322 HydrophobicContact CB-CG 4.04Å; K313-F322 HydrophobicContact CD-CD1 4.42Å; K313-F322 HydrophobicContact CD-CD2 4.26Å; K313-F322 HydrophobicContact CD-CE1 4.43Å; K313-F322 HydrophobicContact CD-CE2 4.27Å; K313-F322 HydrophobicContact CD-CG 4.34Å; K313-F322 HydrophobicContact CD-CZ 4.35Å; F322-L325 HydrophobicContact CB-CD2 3.78Å; F322-L325 HydrophobicContact CD2-CD2 4.47Å
323	V	83.4	Confident	84.7	Confident	86 Å²	86	66.1 Å²	66.1	52%	0.521	36%	0.357	S	S	.	.			trans	-91	-32.5	179.3	-172.8	0	0	0	0	110.7	K313 K316 E321	K313-V323 PolarHBondContact O-N 2.93Å; K316-V323 HydrophobicContact CB-CG2 4.46Å; E321-V323 PolarHBondContact O-N 3.45Å
324	R	86.1	Confident	85	Confident	31 Å²	31	65.3 Å²	65.3	12%	0.117	35%	0.354	C	S	.	.			trans	-111.3	101	-179.9	-164.6	-174	-64.2	150.3	2.4	110.9	D79 F312 K313	D79-R324 IonicContact OD1-NH2 3.81Å; D79-R324 PolarHBondContact OD1-NH2 3.47Å; D79-R324 VanDerWaalsContact OD1-NH2 3.12Å; D79-R324 IonicContact OD2-CZ 3.3Å; D79-R324 IonicContact OD2-NH2 3.62Å; D79-R324 PolarHBondContact OD2-NH2 3.07Å; F312-R324 HydrophobicContact CE1-CB 4.4Å; F312-R324 VanDerWaalsContact CE1-CD 3.43Å; F312-R324 HydrophobicContact CE1-CG 3.8Å; F312-R324 HydrophobicContact CE2-CG 4.4Å; F312-R324 HydrophobicContact CZ-CG 3.78Å; F312-R324 PolarHBondContact O-NH1 3.27Å; K313-R324 PolarHBondContact O-N 3.13Å; K313-R324 VanDerWaalsContact O-N 3.16Å
325	L	85.9	Confident	85.6	Confident	124 Å²	124	65.2 Å²	65.2	65%	0.649	35%	0.353	S	S	*	.			trans	-95.3	-25.1	178.6	-61.3	175.3	0	0	0	113	F322 L327	F322-L325 HydrophobicContact CB-CD2 3.78Å; F322-L325 HydrophobicContact CD2-CD2 4.47Å; L325-L327 PolarHBondContact O-N 3.49Å; L325-L327 VanDerWaalsContact O-N 3.16Å
326	D	90.4	Very high	86.5	Confident	65 Å²	65	64.3 Å²	64.3	35%	0.348	35%	0.347	S	S	.	.			trans	-78.1	100.9	178.7	178.5	16.2	0	0	0	111.4	S328 K329	D326-S328 PolarHBondContact O-N 3.11Å; D326-S328 VanDerWaalsContact OD1-CB 3.29Å; D326-S328 WeakPolarHBondContact OD1-CB 3.25Å; D326-S328 PolarHBondContact OD1-N 2.7Å; D326-S328 PolarHBondContact OD1-OG 3.37Å; D326-S328 PolarHBondContact OD2-OG 3.24Å; D326-S328 VanDerWaalsContact OD2-OG 3.05Å; D326-K329 WeakPolarHBondContact OD2-CE 3.45Å
327	L	91.8	Very high	87.7	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.047	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-70.2	-13.9	179.2	-64.2	171.4	0	0	0	113.4	F312 L325 K329 M330 L354 E358 L360 I368	F312-L327 HydrophobicContact CD1-CD2 4.05Å; F312-L327 HydrophobicContact CE1-CD2 3.79Å; L325-L327 PolarHBondContact O-N 3.49Å; L325-L327 VanDerWaalsContact O-N 3.16Å; L327-K329 PolarHBondContact O-N 2.98Å; L327-M330 WeakPolarHBondContact O-CB 3.43Å; L327-M330 PolarHBondContact O-N 3.1Å; L327-L354 HydrophobicContact CB-CD2 4.48Å; L327-L354 HydrophobicContact CD1-CD2 3.79Å; L327-E358 HydrophobicContact CD1-CB 3.53Å; L327-E358 HydrophobicContact CD1-CG 3.53Å; L327-L360 HydrophobicContact CB-CD2 4.4Å; L327-L360 HydrophobicContact CD1-CD1 3.91Å; L327-I368 HydrophobicContact CB-CD1 4.45Å; L327-I368 WeakPolarHBondContact O-CD1 3.38Å
328	S	91.4	Very high	89.2	Confident	37 Å²	37	53.4 Å²	53.4	26%	0.259	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.4	177.4	72.3	0	0	0	0	113.1	D326 M330 P331	D326-S328 PolarHBondContact O-N 3.11Å; D326-S328 VanDerWaalsContact OD1-CB 3.29Å; D326-S328 WeakPolarHBondContact OD1-CB 3.25Å; D326-S328 PolarHBondContact OD1-N 2.7Å; D326-S328 PolarHBondContact OD1-OG 3.37Å; D326-S328 PolarHBondContact OD2-OG 3.24Å; D326-S328 VanDerWaalsContact OD2-OG 3.05Å; S328-M330 VanDerWaalsContact C-N 3.29Å; S328-P331 WeakPolarHBondContact O-CD 3.41Å
329	K	93.5	Very high	90.7	Very high	110 Å²	110	49.6 Å²	49.6	48%	0.478	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-84.3	1.5	174.7	-59.5	-175.7	-178.3	-178.6	0	113.6	F312 D326 L327 D332 K333	F312-K329 HydrophobicContact CZ-CB 4.35Å; D326-K329 WeakPolarHBondContact OD2-CE 3.45Å; L327-K329 PolarHBondContact O-N 2.98Å; K329-D332 PolarHBondContact O-N 3.41Å; K329-K333 PolarHBondContact O-N 3.25Å
330	M	95.6	Very high	91.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.2	-47.5	179.2	-173.9	170.7	-179.5	0	0	112.7	I308 I309 F312 L327 S328 D332 K333 V334 L350 I368	I308-M330 HydrophobicContact CG2-CE 4.02Å; I309-M330 HydrophobicContact CG1-CE 4.11Å; F312-M330 HydrophobicContact CD2-CB 4.43Å; F312-M330 HydrophobicContact CD2-CG 4.39Å; F312-M330 HydrophobicContact CE2-CB 3.96Å; F312-M330 HydrophobicContact CE2-CG 4.41Å; F312-M330 HydrophobicContact CZ-CB 4Å; L327-M330 WeakPolarHBondContact O-CB 3.43Å; L327-M330 PolarHBondContact O-N 3.1Å; S328-M330 VanDerWaalsContact C-N 3.29Å; M330-D332 PolarHBondContact O-N 2.83Å; M330-K333 CarbonylContact O-C 3.57Å; M330-K333 PolarHBondContact O-N 3.24Å; M330-V334 HydrophobicContact CE-CB 4.46Å; M330-V334 HydrophobicContact CE-CG1 4.09Å; M330-V334 HydrophobicContact CE-CG2 4.4Å; M330-V334 HydrophobicContact CG-CB 3.99Å; M330-V334 HydrophobicContact CG-CG2 3.9Å; M330-V334 VanDerWaalsContact O-CB 3.31Å; M330-V334 WeakPolarHBondContact O-CB 3.35Å; M330-V334 PolarHBondContact O-N 2.94Å; M330-L350 HydrophobicContact CE-CD1 3.98Å; M330-L350 HydrophobicContact CE-CD2 4.45Å; M330-L350 HydrophobicContact SD-CD1 4.37Å; M330-I368 HydrophobicContact CB-CG2 4.08Å; M330-I368 HydrophobicContact CG-CG2 4.44Å; M330-I368 HydrophobicContact SD-CG2 4.23Å
331	P	97.5	Very high	93	Very high	5 Å²	5	42 Å²	42	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-24.6	179.7	-22.8	35.5	0	0	0	114.3	K81 S328 K333 I368 R371	K81-P331 WeakPolarHBondContact CE-O 3.33Å; K81-P331 PolarHBondContact NZ-O 2.91Å; S328-P331 WeakPolarHBondContact O-CD 3.41Å; P331-K333 VanDerWaalsContact C-N 3.28Å; P331-K333 PolarHBondContact O-N 3.41Å; P331-I368 HydrophobicContact CG-CB 4.5Å; P331-I368 HydrophobicContact CG-CG2 4.24Å; P331-R371 HydrophobicContact CB-CB 3.67Å; P331-R371 HydrophobicContact CG-CB 3.82Å
332	D	96.4	Very high	93.8	Very high	96 Å²	96	36.7 Å²	36.7	51%	0.513	19%	0.186	S	C	.	.	H	α-helix	trans	-77.5	-17.9	177.7	-54.9	-35.7	0	0	0	112.3	K81 K329 M330	K81-D332 WeakPolarHBondContact CB-O 3.33Å; K81-D332 WeakPolarHBondContact CD-O 3.39Å; K81-D332 WeakPolarHBondContact CG-O 3.25Å; K329-D332 PolarHBondContact O-N 3.41Å; M330-D332 PolarHBondContact O-N 2.83Å
333	K	97.1	Very high	94.5	Very high	58 Å²	58	31.4 Å²	31.4	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-121.9	-12	-173.2	-66.2	-73	-179.7	161.9	0	113.6	D79 R82 F312 K329 M330 P331	D79-K333 PolarHBondContact O-NZ 3.48Å; D79-K333 IonicContact OD2-NZ 3.64Å; D79-K333 PolarHBondContact OD2-NZ 2.9Å; R82-K333 PolarHBondContact N-O 2.79Å; F312-K333 HydrophobicContact CD2-CB 4.09Å; F312-K333 HydrophobicContact CE2-CB 4.01Å; F312-K333 HydrophobicContact CE2-CG 4.46Å; K329-K333 PolarHBondContact O-N 3.25Å; M330-K333 CarbonylContact O-C 3.57Å; M330-K333 PolarHBondContact O-N 3.24Å; P331-K333 VanDerWaalsContact C-N 3.28Å; P331-K333 PolarHBondContact O-N 3.41Å
334	V	98.5	Very high	95.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.7	-175.4	-179.6	0	0	0	0	108.7	R82 Y84 I308 F312 M330 I336 T372	R82-V334 WeakPolarHBondContact O-CA 3.29Å; Y84-V334 HydrophobicContact CD2-CG1 3.77Å; Y84-V334 HydrophobicContact CE2-CB 4.49Å; Y84-V334 HydrophobicContact CE2-CG1 3.84Å; Y84-V334 HydrophobicContact CE2-CG2 4.35Å; I308-V334 HydrophobicContact CG2-CG1 3.68Å; I308-V334 HydrophobicContact CG2-CG2 4.13Å; F312-V334 HydrophobicContact CD2-CG2 3.99Å; M330-V334 HydrophobicContact CE-CB 4.46Å; M330-V334 HydrophobicContact CE-CG1 4.09Å; M330-V334 HydrophobicContact CE-CG2 4.4Å; M330-V334 HydrophobicContact CG-CB 3.99Å; M330-V334 HydrophobicContact CG-CG2 3.9Å; M330-V334 VanDerWaalsContact O-CB 3.31Å; M330-V334 WeakPolarHBondContact O-CB 3.35Å; M330-V334 PolarHBondContact O-N 2.94Å; V334-I336 HydrophobicContact CG1-CD1 4.3Å; V334-I336 HydrophobicContact CG1-CG1 3.96Å; V334-T372 HydrophobicContact CB-CG2 4.22Å; V334-T372 HydrophobicContact CG1-CG2 3.71Å
335	A	98.8	Very high	95.8	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	162.4	0	0	0	0	0	108.7	R82 V83 Y84 W826	R82-A335 PolarHBondContact O-N 3.46Å; V83-A335 WeakPolarHBondContact CA-O 3.36Å; V83-A335 HydrophobicContact CG2-CB 4.06Å; Y84-A335 PolarHBondContact N-O 3.48Å; A335-W826 HydrophobicContact CB-CB 4.18Å; A335-W826 HydrophobicContact CB-CG 4.19Å
336	I	98.9	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.3	178.3	-62.8	176.3	0	0	0	107.7	Y84 L86 L305 I308 V334 L338 T372 C373 A374	Y84-I336 WeakPolarHBondContact O-CA 3.29Å; L86-I336 HydrophobicContact CD1-CG2 3.97Å; L86-I336 HydrophobicContact CD2-CG2 4.12Å; L305-I336 HydrophobicContact CD2-CD1 3.55Å; I308-I336 HydrophobicContact CD1-CD1 4.02Å; I308-I336 HydrophobicContact CD1-CG1 4.16Å; V334-I336 HydrophobicContact CG1-CD1 4.3Å; V334-I336 HydrophobicContact CG1-CG1 3.96Å; I336-L338 HydrophobicContact CG2-CD2 3.9Å; I336-T372 HydrophobicContact CB-CG2 4.38Å; I336-T372 HydrophobicContact CD1-CG2 3.85Å; I336-T372 HydrophobicContact CG1-CG2 3.87Å; I336-T372 PolarHBondContact N-O 2.87Å; I336-C373 WeakPolarHBondContact O-CA 3.32Å; I336-A374 PolarHBondContact O-N 3.19Å
337	Q	98.9	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.2	174.3	-167.1	68.5	35.4	0	0	109.7	Y84 Y85 L86 T376 W826	Y84-Q337 PolarHBondContact O-N 2.9Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.25Å; Y85-Q337 HydrophobicContact CE2-CG 3.79Å; L86-Q337 PolarHBondContact N-O 3.32Å; Q337-T376 PolarHBondContact NE2-OG1 3.38Å; Q337-W826 HydrophobicContact CB-CZ2 4.21Å; Q337-W826 HydrophobicContact CG-CZ2 4.22Å
338	L	98.7	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.7	176	-52.3	-178	0	0	0	109	I336 D340 P343 A346 I347 A374 T376	I336-L338 HydrophobicContact CG2-CD2 3.9Å; L338-D340 PolarHBondContact O-N 2.7Å; L338-P343 HydrophobicContact CB-CG 3.93Å; L338-P343 HydrophobicContact CD2-CB 4.12Å; L338-P343 HydrophobicContact CD2-CG 3.95Å; L338-A346 HydrophobicContact CD2-CB 3.92Å; L338-I347 HydrophobicContact CD1-CD1 4.05Å; L338-I347 HydrophobicContact CD1-CG1 4.34Å; L338-A374 PolarHBondContact N-O 3.28Å; L338-T376 PolarHBondContact O-N 3.18Å; L338-T376 VanDerWaalsContact O-N 3.08Å
339	N	97.4	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	95.2	176.4	-168.8	22.8	0	0	0	110.2	Y85 L86 S87 L137 H378	Y85-N339 HydrophobicContact CE1-CB 3.76Å; Y85-N339 PolarHBondContact OH-ND2 3.39Å; Y85-N339 PolarHBondContact OH-OD1 3.13Å; Y85-N339 VanDerWaalsContact OH-OD1 3.09Å; L86-N339 VanDerWaalsContact O-CB 3.26Å; L86-N339 WeakPolarHBondContact O-CB 3.47Å; L86-N339 PolarHBondContact O-N 3.45Å; S87-N339 PolarHBondContact OG-ND2 3.01Å; L137-N339 VanDerWaalsContact CD2-ND2 3.34Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.44Å; N339-H378 PolarHBondContact OD1-NE2 3.01Å
340	D	95.5	Very high	97.7	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.064	5%	0.048	C	C	.	.	S	Bend	trans	65.2	-168.6	-166.2	-141.2	-33.3	0	0	0	113.3	L137 L338 H342 P343 T376	L137-D340 HydrophobicContact CD1-CB 3.82Å; L338-D340 PolarHBondContact O-N 2.7Å; D340-H342 VanDerWaalsContact C-N 3.32Å; D340-P343 WeakPolarHBondContact O-CD 3.45Å; D340-T376 VanDerWaalsContact CA-O 3.26Å; D340-T376 WeakPolarHBondContact CA-O 3.47Å; D340-T376 PolarHBondContact N-O 3.38Å; D340-T376 VanDerWaalsContact N-O 3.09Å
341	T	96.3	Very high	97.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.048	C	C	.	.	S	Bend	trans	-79.8	-10.2	-178.5	55.6	0	0	0	0	114.2	A344 Y375 E386 M442 A443	T341-A344 WeakPolarHBondContact O-CA 3.48Å; T341-A344 WeakPolarHBondContact O-CB 3.28Å; T341-A344 PolarHBondContact O-N 3.47Å; T341-Y375 HydrophobicContact CG2-CE2 4.02Å; T341-E386 WeakPolarHBondContact CB-OE2 3.49Å; T341-E386 WeakPolarHBondContact OG1-CG 3.38Å; T341-E386 PolarHBondContact OG1-OE2 3.38Å; T341-M442 HydrophobicContact CG2-CB 4.23Å; T341-A443 HydrophobicContact CG2-CB 3.98Å
342	H	94.4	Very high	98	Very high	18 Å²	18	10.4 Å²	10.4	8%	0.083	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-42.1	-176.9	-42.8	123.3	0	0	0	113.8	L88 Y281 R293 E297 D340 A344 E386	L88-H342 HydrophobicContact CB-CB 4.41Å; L88-H342 HydrophobicContact CD1-CB 3.72Å; L88-H342 HydrophobicContact CD2-CB 4.17Å; L88-H342 HydrophobicContact CG-CB 4.3Å; Y281-H342 PolarHBondContact OH-CE1 2.84Å; Y281-H342 PolarHBondContact OH-NE2 3.08Å; R293-H342 PolarHBondContact NH2-CD2 2.97Å; R293-H342 PolarHBondContact NH2-NE2 2.84Å; E297-H342 WeakPolarHBondContact CB-O 3.34Å; E297-H342 HydrophobicContact CG-CB 4.46Å; E297-H342 VanDerWaalsContact CG-O 3.25Å; E297-H342 WeakPolarHBondContact CG-O 3.25Å; D340-H342 VanDerWaalsContact C-N 3.32Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-E386 WeakPolarHBondContact CA-OE2 3.32Å; H342-E386 IonicContact CD2-OE1 2.71Å; H342-E386 PolarHBondContact CD2-OE1 3.07Å; H342-E386 VanDerWaalsContact CD2-OE1 3.3Å; H342-E386 IonicContact CD2-OE2 2.75Å; H342-E386 PolarHBondContact N-OE2 3.14Å
343	P	97.8	Very high	98	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	18.5	173.7	37.6	-37.4	0	0	0	113.9	L86 V301 L338 D340 L345 A346	L86-P343 HydrophobicContact CB-CB 3.81Å; L86-P343 HydrophobicContact CB-CG 4.14Å; L86-P343 HydrophobicContact CD2-CB 4.22Å; V301-P343 HydrophobicContact CG2-CB 4.17Å; L338-P343 HydrophobicContact CB-CG 3.93Å; L338-P343 HydrophobicContact CD2-CB 4.12Å; L338-P343 HydrophobicContact CD2-CG 3.95Å; D340-P343 WeakPolarHBondContact O-CD 3.45Å; P343-L345 PolarHBondContact O-N 3.25Å; P343-L345 VanDerWaalsContact O-N 3.09Å; P343-A346 VanDerWaalsContact O-CB 3.23Å; P343-A346 WeakPolarHBondContact O-CB 3.44Å; P343-A346 PolarHBondContact O-N 2.93Å
344	A	98.3	Very high	98.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.8	-176.9	0	0	0	0	0	113.7	T341 H342 A346 I347 P348 M442 C446	T341-A344 WeakPolarHBondContact O-CA 3.48Å; T341-A344 WeakPolarHBondContact O-CB 3.28Å; T341-A344 PolarHBondContact O-N 3.47Å; H342-A344 VanDerWaalsContact C-N 3.33Å; A344-A346 PolarHBondContact O-N 3.46Å; A344-I347 PolarHBondContact O-N 3.29Å; A344-I347 VanDerWaalsContact O-N 3.12Å; A344-P348 WeakPolarHBondContact O-CD 3.47Å; A344-M442 HydrophobicContact CB-CB 4.21Å; A344-M442 HydrophobicContact CB-CE 3.72Å; A344-C446 WeakPolarHBondContact CB-SG 3.44Å
345	L	98.8	Very high	98	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.7	175	-72.1	174	0	0	0	113.5	L294 E297 Y298 V301 P343 I347 P348 E349 F393 L397 M442	L294-L345 HydrophobicContact CD1-CD1 3.88Å; E297-L345 HydrophobicContact CB-CD1 4.36Å; Y298-L345 HydrophobicContact CD2-CB 4.45Å; Y298-L345 HydrophobicContact CD2-CD1 4.07Å; Y298-L345 HydrophobicContact CG-CD1 4.38Å; V301-L345 HydrophobicContact CB-CB 4.48Å; V301-L345 HydrophobicContact CG1-CB 4.27Å; V301-L345 HydrophobicContact CG2-CB 4.25Å; P343-L345 PolarHBondContact O-N 3.25Å; P343-L345 VanDerWaalsContact O-N 3.09Å; L345-I347 PolarHBondContact O-N 3.08Å; L345-P348 HydrophobicContact CD2-CG 4.08Å; L345-P348 VanDerWaalsContact O-CD 3.27Å; L345-P348 WeakPolarHBondContact O-CD 3.43Å; L345-P348 WeakPolarHBondContact O-CG 3.39Å; L345-E349 WeakPolarHBondContact O-CB 3.42Å; L345-E349 PolarHBondContact O-N 2.7Å; L345-F393 HydrophobicContact CD2-CE1 3.61Å; L345-F393 HydrophobicContact CD2-CZ 3.79Å; L345-L397 HydrophobicContact CD1-CD1 3.86Å; L345-L397 HydrophobicContact CD2-CD1 4.24Å; L345-M442 HydrophobicContact CD2-CE 4.26Å; L345-M442 HydrophobicContact CG-CE 4.37Å
346	A	98.8	Very high	97.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.7	-31.4	172.8	0	0	0	0	0	112.6	L86 V301 L305 L338 P343 A344 L350	L86-A346 HydrophobicContact CD2-CB 4.28Å; V301-A346 VanDerWaalsContact CG1-CA 3.44Å; V301-A346 HydrophobicContact CG1-CB 4.05Å; V301-A346 HydrophobicContact CG2-CB 4.25Å; L305-A346 HydrophobicContact CD1-CB 4.31Å; L338-A346 HydrophobicContact CD2-CB 3.92Å; P343-A346 VanDerWaalsContact O-CB 3.23Å; P343-A346 WeakPolarHBondContact O-CB 3.44Å; P343-A346 PolarHBondContact O-N 2.93Å; A344-A346 PolarHBondContact O-N 3.46Å; A346-L350 WeakPolarHBondContact O-CB 3.29Å; A346-L350 PolarHBondContact O-N 2.84Å
347	I	98.9	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.6	-61.1	177.8	-66.2	162.1	0	0	0	110.8	L338 A344 L345 E349 L350 M351 W366 V369 I407 L445	L338-I347 HydrophobicContact CD1-CD1 4.05Å; L338-I347 HydrophobicContact CD1-CG1 4.34Å; A344-I347 PolarHBondContact O-N 3.29Å; A344-I347 VanDerWaalsContact O-N 3.12Å; L345-I347 PolarHBondContact O-N 3.08Å; I347-E349 VanDerWaalsContact C-N 3.35Å; I347-E349 PolarHBondContact O-N 3.3Å; I347-L350 PolarHBondContact O-N 2.75Å; I347-M351 PolarHBondContact O-N 3.22Å; I347-M351 VanDerWaalsContact O-N 3.12Å; I347-W366 HydrophobicContact CG2-CH2 4.12Å; I347-W366 HydrophobicContact CG2-CZ3 3.81Å; I347-V369 HydrophobicContact CB-CG1 4.46Å; I347-V369 HydrophobicContact CG2-CG1 3.97Å; I347-I407 HydrophobicContact CG2-CD1 4.32Å; I347-L445 HydrophobicContact CD1-CG 4.44Å; I347-L445 HydrophobicContact CG2-CD1 4.09Å
348	P	98.8	Very high	97.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-29.9	179.2	26.3	-35.4	0	0	0	113.2	A344 L345 M351 R352 H400 I403 I404 L445	A344-P348 WeakPolarHBondContact O-CD 3.47Å; L345-P348 HydrophobicContact CD2-CG 4.08Å; L345-P348 VanDerWaalsContact O-CD 3.27Å; L345-P348 WeakPolarHBondContact O-CD 3.43Å; L345-P348 WeakPolarHBondContact O-CG 3.39Å; P348-M351 WeakPolarHBondContact O-CB 3.45Å; P348-M351 PolarHBondContact O-N 2.9Å; P348-R352 WeakPolarHBondContact O-CB 3.19Å; P348-R352 PolarHBondContact O-N 3.41Å; P348-H400 HydrophobicContact CB-CB 4.41Å; P348-I403 HydrophobicContact CB-CB 4.43Å; P348-I403 HydrophobicContact CB-CG2 3.86Å; P348-I404 HydrophobicContact CB-CG1 4.12Å; P348-I404 HydrophobicContact CG-CD1 4.32Å; P348-I404 HydrophobicContact CG-CG1 4.26Å; P348-L445 HydrophobicContact CG-CD2 4.37Å
349	E	98.9	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.9	-40	176.2	176.2	58.5	-172.7	0	0	112.2	Y298 V301 L305 L345 I347 M351 R352 I353 H400	Y298-E349 HydrophobicContact CE2-CB 4.34Å; Y298-E349 HydrophobicContact CE2-CG 4.35Å; Y298-E349 PolarHBondContact OH-OE2 2.83Å; V301-E349 HydrophobicContact CG1-CB 3.83Å; V301-E349 HydrophobicContact CG1-CG 4.08Å; L305-E349 HydrophobicContact CD1-CB 3.75Å; L305-E349 HydrophobicContact CD1-CG 3.54Å; L345-E349 WeakPolarHBondContact O-CB 3.42Å; L345-E349 PolarHBondContact O-N 2.7Å; I347-E349 VanDerWaalsContact C-N 3.35Å; I347-E349 PolarHBondContact O-N 3.3Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 2.82Å; E349-R352 WeakPolarHBondContact O-CB 3.46Å; E349-R352 PolarHBondContact O-N 2.87Å; E349-R352 IonicContact OE1-CZ 3.3Å; E349-R352 IonicContact OE1-NE 3.07Å; E349-R352 PolarHBondContact OE1-NE 3.3Å; E349-R352 IonicContact OE1-NH2 3.37Å; E349-R352 PolarHBondContact OE1-NH2 3.43Å; E349-R352 IonicContact OE2-CZ 2.75Å; E349-R352 IonicContact OE2-NE 2.91Å; E349-R352 PolarHBondContact OE2-NE 3.27Å; E349-R352 IonicContact OE2-NH2 3.84Å; E349-I353 HydrophobicContact CG-CD1 4.14Å; E349-I353 WeakPolarHBondContact O-CG1 3.48Å; E349-I353 PolarHBondContact O-N 2.84Å; E349-H400 IonicContact OE2-CD2 3.62Å; E349-H400 IonicContact OE2-CE1 3.76Å; E349-H400 IonicContact OE2-NE2 3.86Å; E349-H400 PolarHBondContact OE2-NE2 2.97Å
350	L	98.8	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-40	174.5	-176.1	57.2	0	0	0	110.6	L305 I309 M330 A346 I347 R352 I353 L354 V369	L305-L350 HydrophobicContact CD1-CB 4.06Å; L305-L350 HydrophobicContact CD2-CB 4.46Å; L305-L350 HydrophobicContact CD2-CD1 4.44Å; I309-L350 HydrophobicContact CD1-CD1 4.15Å; M330-L350 HydrophobicContact CE-CD1 3.98Å; M330-L350 HydrophobicContact CE-CD2 4.45Å; M330-L350 HydrophobicContact SD-CD1 4.37Å; A346-L350 WeakPolarHBondContact O-CB 3.29Å; A346-L350 PolarHBondContact O-N 2.84Å; I347-L350 PolarHBondContact O-N 2.75Å; L350-R352 PolarHBondContact O-N 3.49Å; L350-I353 PolarHBondContact O-N 3.25Å; L350-L354 HydrophobicContact CD1-CD1 4.09Å; L350-L354 HydrophobicContact CD1-CG 4.07Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 HydrophobicContact CG-CG 4.37Å; L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 WeakPolarHBondContact O-CG 3.41Å; L350-L354 PolarHBondContact O-N 3.49Å; L350-V369 HydrophobicContact CB-CG2 4.01Å; L350-V369 HydrophobicContact CD2-CB 4.47Å; L350-V369 HydrophobicContact CD2-CG2 3.8Å; L350-V369 HydrophobicContact CG-CG2 3.69Å
351	M	98.7	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-47.1	170.3	-79.3	-58.1	-72.9	0	0	112.3	I347 P348 E349 I353 L354 V355 W362 A365 W366 V369 I403	I347-M351 PolarHBondContact O-N 3.22Å; I347-M351 VanDerWaalsContact O-N 3.12Å; P348-M351 WeakPolarHBondContact O-CB 3.45Å; P348-M351 PolarHBondContact O-N 2.9Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 2.82Å; M351-I353 PolarHBondContact O-N 2.8Å; M351-L354 PolarHBondContact O-N 2.97Å; M351-V355 HydrophobicContact CE-CG2 4.02Å; M351-V355 WeakPolarHBondContact O-CB 3.31Å; M351-V355 WeakPolarHBondContact O-CG2 3.41Å; M351-V355 PolarHBondContact O-N 3.08Å; M351-W362 HydrophobicContact CE-CD2 3.49Å; M351-W362 VanDerWaalsContact CE-CD2 3.49Å; M351-W362 HydrophobicContact CE-CE3 3.51Å; M351-W362 HydrophobicContact CE-CG 4.17Å; M351-W362 HydrophobicContact CE-CH2 3.78Å; M351-W362 HydrophobicContact CE-CZ2 3.73Å; M351-W362 HydrophobicContact CE-CZ3 3.65Å; M351-A365 HydrophobicContact CE-CB 4.03Å; M351-A365 HydrophobicContact SD-CB 3.82Å; M351-W366 HydrophobicContact CE-CB 4.17Å; M351-W366 HydrophobicContact CE-CE3 4.33Å; M351-W366 HydrophobicContact CG-CE3 3.91Å; M351-W366 HydrophobicContact CG-CZ3 4.23Å; M351-W366 HydrophobicContact SD-CB 4.13Å; M351-W366 HydrophobicContact SD-CE3 3.75Å; M351-V369 HydrophobicContact CG-CG2 3.91Å; M351-V369 HydrophobicContact SD-CB 4.39Å; M351-V369 HydrophobicContact SD-CG2 3.71Å; M351-I403 HydrophobicContact CB-CG2 3.84Å; M351-I403 HydrophobicContact CG-CG2 4.39Å
352	R	98.6	Very high	97.4	Very high	27 Å²	27	28 Å²	28	10%	0.102	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-47.4	178.8	-167.1	-164.5	65.6	75.7	1.4	111.4	P348 E349 L350 D356 R399 I403	P348-R352 WeakPolarHBondContact O-CB 3.19Å; P348-R352 PolarHBondContact O-N 3.41Å; E349-R352 WeakPolarHBondContact O-CB 3.46Å; E349-R352 PolarHBondContact O-N 2.87Å; E349-R352 IonicContact OE1-CZ 3.3Å; E349-R352 IonicContact OE1-NE 3.07Å; E349-R352 PolarHBondContact OE1-NE 3.3Å; E349-R352 IonicContact OE1-NH2 3.37Å; E349-R352 PolarHBondContact OE1-NH2 3.43Å; E349-R352 IonicContact OE2-CZ 2.75Å; E349-R352 IonicContact OE2-NE 2.91Å; E349-R352 PolarHBondContact OE2-NE 3.27Å; E349-R352 IonicContact OE2-NH2 3.84Å; L350-R352 PolarHBondContact O-N 3.49Å; R352-D356 HydrophobicContact CG-CB 4.48Å; R352-D356 WeakPolarHBondContact CG-OD2 3.4Å; R352-D356 WeakPolarHBondContact O-CA 3.32Å; R352-D356 WeakPolarHBondContact O-CB 3.48Å; R352-D356 PolarHBondContact O-N 3.46Å; R352-R399 HydrophobicContact CG-CG 3.96Å; R352-I403 HydrophobicContact CB-CD1 3.59Å; R352-I403 HydrophobicContact CG-CD1 4.03Å
353	I	98.2	Very high	97.6	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.036	15%	0.152	C	C	.	.	I	π-helix	trans	-64.3	-47	179.5	-62.5	165.7	0	0	0	110.4	L305 I309 E349 L350 M351 I357 E358	L305-I353 HydrophobicContact CB-CD1 4Å; I309-I353 HydrophobicContact CD1-CB 4.14Å; I309-I353 HydrophobicContact CD1-CD1 3.85Å; I309-I353 HydrophobicContact CD1-CG2 3.48Å; I309-I353 VanDerWaalsContact CD1-CG2 3.48Å; E349-I353 HydrophobicContact CG-CD1 4.14Å; E349-I353 WeakPolarHBondContact O-CG1 3.48Å; E349-I353 PolarHBondContact O-N 2.84Å; L350-I353 PolarHBondContact O-N 3.25Å; M351-I353 PolarHBondContact O-N 2.8Å; I353-I357 HydrophobicContact CG1-CD1 4.37Å; I353-I357 HydrophobicContact CG2-CD1 4.36Å; I353-I357 VanDerWaalsContact O-CB 3.32Å; I353-I357 WeakPolarHBondContact O-CB 3.44Å; I353-I357 PolarHBondContact O-N 3.24Å; I353-E358 HydrophobicContact CG2-CG 4.26Å; I353-E358 PolarHBondContact O-N 3.41Å
354	L	97.9	Very high	97.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.173	C	C	.	.	I	π-helix	trans	-65.8	-40.9	-177.3	-66.8	176.2	0	0	0	112.8	L327 L350 M351 E358 K359 L360 A365 I368 V369	L327-L354 HydrophobicContact CB-CD2 4.48Å; L327-L354 HydrophobicContact CD1-CD2 3.79Å; L350-L354 HydrophobicContact CD1-CD1 4.09Å; L350-L354 HydrophobicContact CD1-CG 4.07Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 HydrophobicContact CG-CG 4.37Å; L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 WeakPolarHBondContact O-CG 3.41Å; L350-L354 PolarHBondContact O-N 3.49Å; M351-L354 PolarHBondContact O-N 2.97Å; L354-E358 CarbonylContact O-C 3.47Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; L354-K359 PolarHBondContact O-N 3.47Å; L354-K359 VanDerWaalsContact O-N 3.17Å; L354-L360 HydrophobicContact CD2-CD2 4.43Å; L354-L360 WeakPolarHBondContact O-CB 3.47Å; L354-L360 PolarHBondContact O-N 3.21Å; L354-A365 HydrophobicContact CB-CB 3.72Å; L354-A365 HydrophobicContact CD1-CB 4.14Å; L354-I368 HydrophobicContact CD1-CB 4.12Å; L354-I368 HydrophobicContact CD1-CG2 3.86Å; L354-V369 HydrophobicContact CD1-CG2 4.08Å
355	V	97.7	Very high	97.6	Very high	30 Å²	30	37.1 Å²	37.1	18%	0.182	17%	0.173	C	C	.	.	I	π-helix	trans	-84.5	-54.3	-177.2	177.3	0	0	0	0	111.5	M351 K359 W362 A365	M351-V355 HydrophobicContact CE-CG2 4.02Å; M351-V355 WeakPolarHBondContact O-CB 3.31Å; M351-V355 WeakPolarHBondContact O-CG2 3.41Å; M351-V355 PolarHBondContact O-N 3.08Å; V355-K359 VanDerWaalsContact O-CA 3.32Å; V355-K359 WeakPolarHBondContact O-CA 3.33Å; V355-K359 PolarHBondContact O-N 3.45Å; V355-W362 HydrophobicContact CG2-CE3 4.41Å; V355-A365 HydrophobicContact CG2-CB 3.71Å
356	D	96.8	Very high	97.6	Very high	15 Å²	15	39 Å²	39	8%	0.08	18%	0.18	C	C	.	.	I	π-helix	trans	-78.1	-35.9	-169.4	-57.5	-11.4	0	0	0	111.7	R352 K359 R399	R352-D356 HydrophobicContact CG-CB 4.48Å; R352-D356 WeakPolarHBondContact CG-OD2 3.4Å; R352-D356 WeakPolarHBondContact O-CA 3.32Å; R352-D356 WeakPolarHBondContact O-CB 3.48Å; R352-D356 PolarHBondContact O-N 3.46Å; D356-K359 WeakPolarHBondContact O-CE 3.3Å; D356-K359 PolarHBondContact O-NZ 3.48Å; D356-R399 IonicContact OD1-CZ 3.14Å; D356-R399 IonicContact OD1-NE 2.89Å; D356-R399 PolarHBondContact OD1-NE 2.82Å; D356-R399 IonicContact OD1-NH2 2.94Å; D356-R399 PolarHBondContact OD1-NH2 3.06Å; D356-R399 IonicContact OD2-CZ 2.96Å; D356-R399 IonicContact OD2-NE 3.2Å; D356-R399 PolarHBondContact OD2-NE 3.44Å; D356-R399 IonicContact OD2-NH2 2.65Å
357	I	95.3	Very high	97.6	Very high	93 Å²	93	42.3 Å²	42.3	48%	0.477	20%	0.198	S	C	.	.	I	π-helix	trans	-99	-54.4	-175.5	-57.3	173.7	0	0	0	111.3	I353 K359	I353-I357 HydrophobicContact CG1-CD1 4.37Å; I353-I357 HydrophobicContact CG2-CD1 4.36Å; I353-I357 VanDerWaalsContact O-CB 3.32Å; I353-I357 WeakPolarHBondContact O-CB 3.44Å; I353-I357 PolarHBondContact O-N 3.24Å; I357-K359 VanDerWaalsContact C-N 3.26Å; I357-K359 PolarHBondContact O-N 3.07Å
358	E	94.8	Very high	97.6	Very high	55 Å²	55	42.3 Å²	42.3	26%	0.257	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.2	-176.4	-54.1	-70.2	166.1	0	0	113.1	K313 L327 I353 L354 L360	K313-E358 IonicContact NZ-OE1 2.8Å; K313-E358 PolarHBondContact NZ-OE1 3.41Å; K313-E358 IonicContact NZ-OE2 3.86Å; K313-E358 PolarHBondContact NZ-OE2 3.11Å; L327-E358 HydrophobicContact CD1-CB 3.53Å; L327-E358 HydrophobicContact CD1-CG 3.53Å; I353-E358 HydrophobicContact CG2-CG 4.26Å; I353-E358 PolarHBondContact O-N 3.41Å; L354-E358 CarbonylContact O-C 3.47Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 HydrophobicContact CB-CD1 3.86Å; E358-L360 WeakPolarHBondContact O-CD1 3.42Å; E358-L360 PolarHBondContact O-N 3.15Å
359	K	94.9	Very high	97.6	Very high	120 Å²	120	42.3 Å²	42.3	52%	0.522	20%	0.198	S	C	.	.			trans	59.5	33.1	173.6	-52.1	-56.2	-174	-178.9	0	114.2	E212 L354 V355 D356 I357	E212-K359 PolarHBondContact O-NZ 2.71Å; L354-K359 PolarHBondContact O-N 3.47Å; L354-K359 VanDerWaalsContact O-N 3.17Å; V355-K359 VanDerWaalsContact O-CA 3.32Å; V355-K359 WeakPolarHBondContact O-CA 3.33Å; V355-K359 PolarHBondContact O-N 3.45Å; D356-K359 WeakPolarHBondContact O-CE 3.3Å; D356-K359 PolarHBondContact O-NZ 3.48Å; I357-K359 VanDerWaalsContact C-N 3.26Å; I357-K359 PolarHBondContact O-N 3.07Å
360	L	95.9	Very high	97.6	Very high	27 Å²	27	44.2 Å²	44.2	14%	0.141	21%	0.207	C	C	.	.			trans	-76.7	146.7	171.2	-86	64.7	0	0	0	110.8	L327 L354 E358 K364 A365 I368	L327-L360 HydrophobicContact CB-CD2 4.4Å; L327-L360 HydrophobicContact CD1-CD1 3.91Å; L354-L360 HydrophobicContact CD2-CD2 4.43Å; L354-L360 WeakPolarHBondContact O-CB 3.47Å; L354-L360 PolarHBondContact O-N 3.21Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 HydrophobicContact CB-CD1 3.86Å; E358-L360 WeakPolarHBondContact O-CD1 3.42Å; E358-L360 PolarHBondContact O-N 3.15Å; L360-K364 HydrophobicContact CD2-CD 4.3Å; L360-K364 HydrophobicContact CD2-CG 4.21Å; L360-K364 HydrophobicContact CG-CD 4.46Å; L360-A365 HydrophobicContact CB-CB 4.24Å; L360-I368 HydrophobicContact CD2-CD1 3.63Å
361	E	96.6	Very high	97.6	Very high	158 Å²	158	48.8 Å²	48.8	74%	0.738	23%	0.225	S	C	*	.			trans	-62.3	147.8	166.4	-64.8	-178.6	172.4	0	0	110.9	E363 K364 A365	E361-E363 PolarHBondContact O-N 2.94Å; E361-K364 PolarHBondContact O-N 3.34Å; E361-A365 PolarHBondContact O-N 3.38Å
362	W	97.6	Very high	97.6	Very high	37 Å²	37	48.8 Å²	48.8	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-51.9	-49.5	-175.8	-178.8	-83.2	0	0	0	113	M351 V355 K364 A365 W366 I403 E406 I407 R410	M351-W362 HydrophobicContact CE-CD2 3.49Å; M351-W362 VanDerWaalsContact CE-CD2 3.49Å; M351-W362 HydrophobicContact CE-CE3 3.51Å; M351-W362 HydrophobicContact CE-CG 4.17Å; M351-W362 HydrophobicContact CE-CH2 3.78Å; M351-W362 HydrophobicContact CE-CZ2 3.73Å; M351-W362 HydrophobicContact CE-CZ3 3.65Å; V355-W362 HydrophobicContact CG2-CE3 4.41Å; W362-K364 VanDerWaalsContact C-N 3.32Å; W362-K364 PolarHBondContact O-N 3.11Å; W362-A365 PolarHBondContact O-N 3.09Å; W362-W366 VanDerWaalsContact O-CB 3.29Å; W362-W366 WeakPolarHBondContact O-CB 3.29Å; W362-W366 PolarHBondContact O-N 2.97Å; W362-I403 HydrophobicContact CH2-CG2 3.99Å; W362-I403 HydrophobicContact CZ3-CG2 4.41Å; W362-E406 HydrophobicContact CD2-CG 4.25Å; W362-E406 HydrophobicContact CE3-CG 4.2Å; W362-E406 HydrophobicContact CH2-CB 3.67Å; W362-E406 HydrophobicContact CH2-CG 3.42Å; W362-E406 VanDerWaalsContact CH2-CG 3.42Å; W362-E406 HydrophobicContact CZ2-CB 4.06Å; W362-E406 HydrophobicContact CZ2-CG 3.49Å; W362-E406 VanDerWaalsContact CZ2-CG 3.49Å; W362-E406 HydrophobicContact CZ3-CB 4.24Å; W362-E406 HydrophobicContact CZ3-CG 3.81Å; W362-I407 HydrophobicContact CH2-CG1 4.1Å; W362-I407 HydrophobicContact CZ2-CG1 3.83Å; W362-R410 VanDerWaalsContact CD1-CZ 3.41Å; W362-R410 VanDerWaalsContact NE1-NE 3.18Å
363	E	97.9	Very high	97.6	Very high	110 Å²	110	47.5 Å²	47.5	51%	0.514	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-41.8	-176.8	-59.9	-51.2	144.5	0	0	112.3	E361 W366 D367 R410	E361-E363 PolarHBondContact O-N 2.94Å; E363-W366 PolarHBondContact O-N 3.33Å; E363-D367 WeakPolarHBondContact O-CB 3.49Å; E363-D367 PolarHBondContact O-N 3.23Å; E363-R410 IonicContact OE1-CZ 2.68Å; E363-R410 IonicContact OE1-NH1 3.11Å; E363-R410 PolarHBondContact OE1-NH1 3.18Å
364	K	97.8	Very high	97.6	Very high	99 Å²	99	47.2 Å²	47.2	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-69.2	-41.4	179	-171.2	176.4	-179.7	178.7	0	111.3	L360 E361 W362 I368	L360-K364 HydrophobicContact CD2-CD 4.3Å; L360-K364 HydrophobicContact CD2-CG 4.21Å; L360-K364 HydrophobicContact CG-CD 4.46Å; E361-K364 PolarHBondContact O-N 3.34Å; W362-K364 VanDerWaalsContact C-N 3.32Å; W362-K364 PolarHBondContact O-N 3.11Å; K364-I368 HydrophobicContact CG-CD1 4.44Å; K364-I368 WeakPolarHBondContact O-CD1 3.33Å; K364-I368 WeakPolarHBondContact O-CG1 3.41Å; K364-I368 PolarHBondContact O-N 2.85Å
365	A	98.4	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.6	0	0	0	0	0	111.4	M351 L354 V355 L360 E361 W362 I368 V369	M351-A365 HydrophobicContact CE-CB 4.03Å; M351-A365 HydrophobicContact SD-CB 3.82Å; L354-A365 HydrophobicContact CB-CB 3.72Å; L354-A365 HydrophobicContact CD1-CB 4.14Å; V355-A365 HydrophobicContact CG2-CB 3.71Å; L360-A365 HydrophobicContact CB-CB 4.24Å; E361-A365 PolarHBondContact O-N 3.38Å; W362-A365 PolarHBondContact O-N 3.09Å; A365-I368 PolarHBondContact O-N 3.05Å; A365-V369 VanDerWaalsContact O-CG2 3.31Å; A365-V369 WeakPolarHBondContact O-CG2 3.4Å; A365-V369 PolarHBondContact O-N 3.34Å
366	W	98.6	Very high	97.7	Very high	39 Å²	39	45.7 Å²	45.7	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-41.4	-178.4	-173.8	-120.7	0	0	0	112.7	I347 M351 W362 E363 I368 V369 I370 I407 V448 G449	I347-W366 HydrophobicContact CG2-CH2 4.12Å; I347-W366 HydrophobicContact CG2-CZ3 3.81Å; M351-W366 HydrophobicContact CE-CB 4.17Å; M351-W366 HydrophobicContact CE-CE3 4.33Å; M351-W366 HydrophobicContact CG-CE3 3.91Å; M351-W366 HydrophobicContact CG-CZ3 4.23Å; M351-W366 HydrophobicContact SD-CB 4.13Å; M351-W366 HydrophobicContact SD-CE3 3.75Å; W362-W366 VanDerWaalsContact O-CB 3.29Å; W362-W366 WeakPolarHBondContact O-CB 3.29Å; W362-W366 PolarHBondContact O-N 2.97Å; E363-W366 PolarHBondContact O-N 3.33Å; W366-I368 PolarHBondContact O-N 3.03Å; W366-V369 HydrophobicContact CE3-CB 4.35Å; W366-V369 HydrophobicContact CE3-CG1 4.3Å; W366-V369 HydrophobicContact CZ3-CG1 4.13Å; W366-V369 PolarHBondContact O-N 2.88Å; W366-I370 HydrophobicContact CD2-CD1 4.24Å; W366-I370 HydrophobicContact CD2-CG1 4.37Å; W366-I370 HydrophobicContact CG-CD1 4.39Å; W366-I370 HydrophobicContact CZ2-CD1 3.89Å; W366-I370 HydrophobicContact CZ2-CG1 4.08Å; W366-I370 VanDerWaalsContact NE1-CD1 3.27Å; W366-I370 PolarHBondContact O-N 2.82Å; W366-I407 HydrophobicContact CE3-CD1 4.46Å; W366-I407 HydrophobicContact CE3-CG1 4.36Å; W366-I407 HydrophobicContact CH2-CD1 3.98Å; W366-I407 HydrophobicContact CH2-CG1 4.01Å; W366-I407 HydrophobicContact CH2-CG2 3.76Å; W366-I407 HydrophobicContact CZ2-CG2 4.14Å; W366-I407 HydrophobicContact CZ3-CD1 3.61Å; W366-I407 HydrophobicContact CZ3-CG1 3.81Å; W366-I407 HydrophobicContact CZ3-CG2 4.42Å; W366-V448 HydrophobicContact CH2-CG1 4.31Å; W366-V448 HydrophobicContact CZ2-CG1 3.9Å; W366-G449 VanDerWaalsContact CH2-CA 3.49Å
367	D	98.5	Very high	97.6	Very high	71 Å²	71	45 Å²	45	38%	0.38	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-43.5	172.6	170	67.4	0	0	0	112.2	E363 V369 R371	E363-D367 WeakPolarHBondContact O-CB 3.49Å; E363-D367 PolarHBondContact O-N 3.23Å; D367-V369 VanDerWaalsContact C-N 3.34Å; D367-V369 PolarHBondContact O-N 3.26Å; D367-R371 VanDerWaalsContact CG-NE 3.31Å; D367-R371 WeakPolarHBondContact O-CB 3.39Å; D367-R371 WeakPolarHBondContact O-CG 3.36Å; D367-R371 PolarHBondContact O-N 3.45Å; D367-R371 VanDerWaalsContact O-N 3.08Å; D367-R371 IonicContact OD1-CZ 3.8Å; D367-R371 IonicContact OD1-NE 3.89Å; D367-R371 PolarHBondContact OD1-NE 3.06Å; D367-R371 IonicContact OD2-CZ 2.8Å; D367-R371 IonicContact OD2-NE 2.65Å; D367-R371 PolarHBondContact OD2-NE 2.99Å; D367-R371 IonicContact OD2-NH2 2.94Å; D367-R371 PolarHBondContact OD2-NH2 2.86Å
368	I	98.6	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-45.1	175	-69.4	164.2	0	0	0	110.6	L327 M330 P331 L354 L360 K364 A365 W366 R371 T372	L327-I368 HydrophobicContact CB-CD1 4.45Å; L327-I368 WeakPolarHBondContact O-CD1 3.38Å; M330-I368 HydrophobicContact CB-CG2 4.08Å; M330-I368 HydrophobicContact CG-CG2 4.44Å; M330-I368 HydrophobicContact SD-CG2 4.23Å; P331-I368 HydrophobicContact CG-CB 4.5Å; P331-I368 HydrophobicContact CG-CG2 4.24Å; L354-I368 HydrophobicContact CD1-CB 4.12Å; L354-I368 HydrophobicContact CD1-CG2 3.86Å; L360-I368 HydrophobicContact CD2-CD1 3.63Å; K364-I368 HydrophobicContact CG-CD1 4.44Å; K364-I368 WeakPolarHBondContact O-CD1 3.33Å; K364-I368 WeakPolarHBondContact O-CG1 3.41Å; K364-I368 PolarHBondContact O-N 2.85Å; A365-I368 PolarHBondContact O-N 3.05Å; W366-I368 PolarHBondContact O-N 3.03Å; I368-R371 PolarHBondContact O-N 2.92Å; I368-T372 VanDerWaalsContact O-CB 3.24Å; I368-T372 WeakPolarHBondContact O-CB 3.34Å; I368-T372 PolarHBondContact O-N 2.76Å; I368-T372 PolarHBondContact O-OG1 3.1Å
369	V	98.8	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-52.2	-179.5	169.9	0	0	0	0	111.1	I347 L350 M351 L354 A365 W366 D367 R371 T372 C373	I347-V369 HydrophobicContact CB-CG1 4.46Å; I347-V369 HydrophobicContact CG2-CG1 3.97Å; L350-V369 HydrophobicContact CB-CG2 4.01Å; L350-V369 HydrophobicContact CD2-CB 4.47Å; L350-V369 HydrophobicContact CD2-CG2 3.8Å; L350-V369 HydrophobicContact CG-CG2 3.69Å; M351-V369 HydrophobicContact CG-CG2 3.91Å; M351-V369 HydrophobicContact SD-CB 4.39Å; M351-V369 HydrophobicContact SD-CG2 3.71Å; L354-V369 HydrophobicContact CD1-CG2 4.08Å; A365-V369 VanDerWaalsContact O-CG2 3.31Å; A365-V369 WeakPolarHBondContact O-CG2 3.4Å; A365-V369 PolarHBondContact O-N 3.34Å; W366-V369 HydrophobicContact CE3-CB 4.35Å; W366-V369 HydrophobicContact CE3-CG1 4.3Å; W366-V369 HydrophobicContact CZ3-CG1 4.13Å; W366-V369 PolarHBondContact O-N 2.88Å; D367-V369 VanDerWaalsContact C-N 3.34Å; D367-V369 PolarHBondContact O-N 3.26Å; V369-R371 PolarHBondContact O-N 3.46Å; V369-T372 PolarHBondContact O-N 2.87Å; V369-T372 VanDerWaalsContact O-N 3.14Å; V369-C373 WeakPolarHBondContact O-CB 3.4Å; V369-C373 PolarHBondContact O-N 3.32Å
370	I	98.6	Very high	96.5	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-48.5	-179.9	-72.6	175.6	0	0	0	110.7	W366 T372 H451	W366-I370 HydrophobicContact CD2-CD1 4.24Å; W366-I370 HydrophobicContact CD2-CG1 4.37Å; W366-I370 HydrophobicContact CG-CD1 4.39Å; W366-I370 HydrophobicContact CZ2-CD1 3.89Å; W366-I370 HydrophobicContact CZ2-CG1 4.08Å; W366-I370 VanDerWaalsContact NE1-CD1 3.27Å; W366-I370 PolarHBondContact O-N 2.82Å; I370-T372 PolarHBondContact O-N 2.81Å; I370-H451 HydrophobicContact CG2-CB 4Å; I370-H451 VanDerWaalsContact O-CB 3.29Å; I370-H451 WeakPolarHBondContact O-CB 3.5Å; I370-H451 PolarHBondContact O-N 2.85Å; I370-H451 VanDerWaalsContact O-N 3.08Å; I370-H451 PolarHBondContact O-ND1 3.41Å
371	R	98.6	Very high	95.8	Very high	96 Å²	96	35 Å²	35	36%	0.362	16%	0.161	S	C	.	.	H	α-helix	trans	-70.9	-17.5	-177.6	-65.9	-169.7	-68.7	140.1	1.9	113.6	P331 D367 I368 V369	P331-R371 HydrophobicContact CB-CB 3.67Å; P331-R371 HydrophobicContact CG-CB 3.82Å; D367-R371 VanDerWaalsContact CG-NE 3.31Å; D367-R371 WeakPolarHBondContact O-CB 3.39Å; D367-R371 WeakPolarHBondContact O-CG 3.36Å; D367-R371 PolarHBondContact O-N 3.45Å; D367-R371 VanDerWaalsContact O-N 3.08Å; D367-R371 IonicContact OD1-CZ 3.8Å; D367-R371 IonicContact OD1-NE 3.89Å; D367-R371 PolarHBondContact OD1-NE 3.06Å; D367-R371 IonicContact OD2-CZ 2.8Å; D367-R371 IonicContact OD2-NE 2.65Å; D367-R371 PolarHBondContact OD2-NE 2.99Å; D367-R371 IonicContact OD2-NH2 2.94Å; D367-R371 PolarHBondContact OD2-NH2 2.86Å; I368-R371 PolarHBondContact O-N 2.92Å; V369-R371 PolarHBondContact O-N 3.46Å
372	T	98.7	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-91.6	-35	178.6	-57.3	0	0	0	0	112.4	V334 I336 I368 V369 I370	V334-T372 HydrophobicContact CB-CG2 4.22Å; V334-T372 HydrophobicContact CG1-CG2 3.71Å; I336-T372 HydrophobicContact CB-CG2 4.38Å; I336-T372 HydrophobicContact CD1-CG2 3.85Å; I336-T372 HydrophobicContact CG1-CG2 3.87Å; I336-T372 PolarHBondContact N-O 2.87Å; I368-T372 VanDerWaalsContact O-CB 3.24Å; I368-T372 WeakPolarHBondContact O-CB 3.34Å; I368-T372 PolarHBondContact O-N 2.76Å; I368-T372 PolarHBondContact O-OG1 3.1Å; V369-T372 PolarHBondContact O-N 2.87Å; V369-T372 VanDerWaalsContact O-N 3.14Å; I370-T372 PolarHBondContact O-N 2.81Å
373	C	98.8	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.9	-172.3	-67.7	0	0	0	0	113.4	I336 V369 S450 H451	I336-C373 WeakPolarHBondContact O-CA 3.32Å; V369-C373 WeakPolarHBondContact O-CB 3.4Å; V369-C373 PolarHBondContact O-N 3.32Å; C373-S450 VanDerWaalsContact O-CA 3.31Å; C373-S450 WeakPolarHBondContact O-CA 3.44Å; C373-S450 WeakPolarHBondContact O-CB 3.29Å; C373-H451 PolarHBondContact O-CE1 2.81Å; C373-H451 PolarHBondContact O-N 3.44Å; C373-H451 VanDerWaalsContact O-N 3.11Å; C373-H451 PolarHBondContact O-ND1 3.33Å
374	A	98.9	Very high	92.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.6	170	0	0	0	0	0	110.8	I336 L338 A452 I825	I336-A374 PolarHBondContact O-N 3.19Å; L338-A374 PolarHBondContact N-O 3.28Å; A374-A452 HydrophobicContact CB-CB 4.21Å; A374-I825 HydrophobicContact CB-CG2 3.49Å; A374-I825 VanDerWaalsContact CB-CG2 3.49Å
375	Y	98.7	Very high	92.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.6	-172.6	166.8	-127.1	0	0	0	112.3	T341 N377 C446 I447 A452 V453 N454	T341-Y375 HydrophobicContact CG2-CE2 4.02Å; Y375-N377 HydrophobicContact CE1-CB 3.94Å; Y375-N377 WeakPolarHBondContact OH-CB 3.42Å; Y375-N377 PolarHBondContact OH-ND2 3.37Å; Y375-C446 HydrophobicContact CD1-CB 3.65Å; Y375-C446 HydrophobicContact CD2-CB 3.74Å; Y375-C446 HydrophobicContact CE1-CB 4.06Å; Y375-C446 HydrophobicContact CE2-CB 4.14Å; Y375-C446 HydrophobicContact CG-CB 3.5Å; Y375-I447 HydrophobicContact CD1-CG1 4.18Å; Y375-I447 HydrophobicContact CE1-CG1 4.21Å; Y375-A452 PolarHBondContact N-O 2.84Å; Y375-V453 HydrophobicContact CD1-CB 4.48Å; Y375-V453 HydrophobicContact CD1-CG1 3.77Å; Y375-V453 HydrophobicContact CD1-CG2 4.18Å; Y375-V453 HydrophobicContact CE1-CG1 4.21Å; Y375-V453 CarbonylContact O-C 3.32Å; Y375-V453 VanDerWaalsContact O-CA 3.29Å; Y375-V453 WeakPolarHBondContact O-CA 3.38Å; Y375-N454 PolarHBondContact O-N 3.5Å; Y375-N454 PolarHBondContact O-OD1 2.89Å
376	T	98.5	Very high	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.9	171	-56.7	0	0	0	0	110.5	Q337 L338 D340 H378 N454 V456 Y821	Q337-T376 PolarHBondContact NE2-OG1 3.38Å; L338-T376 PolarHBondContact O-N 3.18Å; L338-T376 VanDerWaalsContact O-N 3.08Å; D340-T376 VanDerWaalsContact CA-O 3.26Å; D340-T376 WeakPolarHBondContact CA-O 3.47Å; D340-T376 PolarHBondContact N-O 3.38Å; D340-T376 VanDerWaalsContact N-O 3.09Å; T376-H378 VanDerWaalsContact CG2-NE2 3.32Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.46Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.42Å; T376-N454 PolarHBondContact OG1-OD1 3.16Å; T376-V456 HydrophobicContact CG2-CG1 3.65Å; T376-Y821 PolarHBondContact OG1-OH 3.46Å
377	N	95.9	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.			trans	-93.2	136.3	174.4	175.4	-88.6	0	0	0	110.9	Y375 T379 N454 H460 F469	Y375-N377 HydrophobicContact CE1-CB 3.94Å; Y375-N377 WeakPolarHBondContact OH-CB 3.42Å; Y375-N377 PolarHBondContact OH-ND2 3.37Å; N377-T379 PolarHBondContact ND2-O 2.88Å; N377-T379 PolarHBondContact OD1-N 3.27Å; N377-T379 PolarHBondContact OD1-O 3.48Å; N377-N454 PolarHBondContact N-O 3.45Å; N377-H460 PolarHBondContact O-CE1 2.85Å; N377-H460 PolarHBondContact OD1-CE1 3.29Å; N377-H460 PolarHBondContact OD1-NE2 3.45Å; N377-F469 HydrophobicContact CB-CE2 4.42Å
378	H	92.1	Very high	91.3	Very high	30 Å²	30	29.1 Å²	29.1	14%	0.139	15%	0.146	C	C	.	.			trans	-117.9	5.5	-178.9	-68.9	-85.1	0	0	0	114.6	N339 T376 V456 A674	N339-H378 PolarHBondContact OD1-NE2 3.01Å; T376-H378 VanDerWaalsContact CG2-NE2 3.32Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.46Å; H378-V456 VanDerWaalsContact CE1-CG1 3.42Å; H378-V456 WeakPolarHBondContact CE1-CG1 3.29Å; H378-V456 WeakPolarHBondContact ND1-CG1 3.49Å; H378-A674 VanDerWaalsContact O-CB 3.26Å; H378-A674 WeakPolarHBondContact O-CB 3.45Å
379	T	86.8	Confident	91.2	Very high	18 Å²	18	30.8 Å²	30.8	11%	0.11	16%	0.157	C	C	.	.			trans	-153.9	141.6	-174.7	-172	0	0	0	0	112.6	N377 L381 A384 L385	N377-T379 PolarHBondContact ND2-O 2.88Å; N377-T379 PolarHBondContact OD1-N 3.27Å; N377-T379 PolarHBondContact OD1-O 3.48Å; T379-L381 PolarHBondContact OG1-N 3.45Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; T379-A384 HydrophobicContact CG2-CB 3.7Å; T379-L385 HydrophobicContact CG2-CD2 4.02Å
380	V	82.7	Confident	91.1	Very high	18 Å²	18	31 Å²	31	11%	0.109	16%	0.158	C	C	.	.			trans	-101.5	-11.4	170	-65.9	0	0	0	0	112.6	P382 I463 I464 V468 G671	V380-P382 WeakPolarHBondContact O-CD 3.39Å; V380-I463 HydrophobicContact CB-CG2 4.46Å; V380-I463 HydrophobicContact CG1-CB 4.48Å; V380-I463 HydrophobicContact CG1-CG2 3.74Å; V380-I464 HydrophobicContact CG1-CG2 4.06Å; V380-V468 HydrophobicContact CB-CG2 4.34Å; V380-V468 HydrophobicContact CG1-CG2 4.44Å; V380-G671 VanDerWaalsContact CG2-O 3.25Å; V380-G671 WeakPolarHBondContact CG2-O 3.46Å
381	L	81.6	Confident	91	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.099	18%	0.177	C	C	.	.			trans	-74.2	121.8	-175.4	-68.4	177.6	0	0	0	110	T379 E383 A384 Y574	T379-L381 PolarHBondContact OG1-N 3.45Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; L381-E383 HydrophobicContact CB-CG 4.26Å; L381-E383 PolarHBondContact O-N 2.92Å; L381-A384 HydrophobicContact CB-CB 4.32Å; L381-A384 PolarHBondContact O-N 2.81Å; L381-Y574 HydrophobicContact CD1-CD1 3.85Å; L381-Y574 HydrophobicContact CD1-CE1 4.08Å; L381-Y574 HydrophobicContact CD1-CG 4.45Å
382	P	74.6	Confident	90.9	Very high	80 Å²	80	30 Å²	30	52%	0.519	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-56.7	-34.4	-177.9	-26.4	34.4	0	0	0	113.8	V380 A384 L385	V380-P382 WeakPolarHBondContact O-CD 3.39Å; P382-A384 PolarHBondContact O-N 2.87Å; P382-L385 PolarHBondContact O-N 3.33Å
383	E	72	Confident	90.7	Very high	93 Å²	93	30 Å²	30	44%	0.435	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.8	178.1	61.1	-97.3	-132.9	0	0	114.1	L381 R771	L381-E383 HydrophobicContact CB-CG 4.26Å; L381-E383 PolarHBondContact O-N 2.92Å; E383-R771 IonicContact OE1-CZ 3.51Å; E383-R771 VanDerWaalsContact OE1-CZ 3.28Å; E383-R771 IonicContact OE1-NH1 2.59Å; E383-R771 PolarHBondContact OE1-NH1 3.06Å; E383-R771 IonicContact OE1-NH2 3.87Å; E383-R771 PolarHBondContact OE1-NH2 3.22Å; E383-R771 IonicContact OE2-NH1 3.45Å; E383-R771 IonicContact OE2-NH2 2.72Å; E383-R771 PolarHBondContact OE2-NH2 2.95Å
384	A	78.8	Confident	90.6	Very high	49 Å²	49	35.6 Å²	35.6	41%	0.405	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-96.6	-6.4	-179.5	0	0	0	0	0	112.9	T379 L381 P382	T379-A384 HydrophobicContact CG2-CB 3.7Å; L381-A384 HydrophobicContact CB-CB 4.32Å; L381-A384 PolarHBondContact O-N 2.81Å; P382-A384 PolarHBondContact O-N 2.87Å
385	L	85.3	Confident	90.5	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.084	21%	0.209	C	C	.	.	S	Bend	trans	-83.8	124.1	176.3	-64.9	176.3	0	0	0	110.3	T379 P382 R387 A443 V468	T379-L385 HydrophobicContact CG2-CD2 4.02Å; P382-L385 PolarHBondContact O-N 3.33Å; L385-R387 PolarHBondContact O-N 3.48Å; L385-A443 HydrophobicContact CD2-CB 4.23Å; L385-V468 HydrophobicContact CD1-CG1 4.3Å
386	E	91.3	Very high	90.4	Very high	29 Å²	29	39.8 Å²	39.8	14%	0.136	21%	0.209	C	C	.	.			trans	-69.3	120.2	-175.6	-66.6	-177.6	131	0	0	112.2	E297 T341 H342 M442	E297-E386 VanDerWaalsContact OE1-OE1 3.04Å; T341-E386 WeakPolarHBondContact CB-OE2 3.49Å; T341-E386 WeakPolarHBondContact OG1-CG 3.38Å; T341-E386 PolarHBondContact OG1-OE2 3.38Å; H342-E386 WeakPolarHBondContact CA-OE2 3.32Å; H342-E386 IonicContact CD2-OE1 2.71Å; H342-E386 PolarHBondContact CD2-OE1 3.07Å; H342-E386 VanDerWaalsContact CD2-OE1 3.3Å; H342-E386 IonicContact CD2-OE2 2.75Å; H342-E386 PolarHBondContact N-OE2 3.14Å; E386-M442 HydrophobicContact CB-CB 4.17Å; E386-M442 HydrophobicContact CB-CG 4Å; E386-M442 WeakPolarHBondContact O-CG 3.42Å; E386-M442 PolarHBondContact O-N 3.16Å; E386-M442 VanDerWaalsContact O-N 3.11Å
387	R	93.3	Very high	90.4	Very high	103 Å²	103	39.8 Å²	39.8	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	96.6	178	-63.9	175.5	-174.1	-141	0.9	109.7	L385 E433 K439 I440	L385-R387 PolarHBondContact O-N 3.48Å; R387-E433 WeakPolarHBondContact CD-OE2 3.5Å; R387-E433 IonicContact CZ-OE1 3.74Å; R387-E433 IonicContact CZ-OE2 2.81Å; R387-E433 IonicContact NE-OE1 3.87Å; R387-E433 PolarHBondContact NE-OE1 3.04Å; R387-E433 IonicContact NE-OE2 3.87Å; R387-E433 IonicContact NH1-OE1 2.63Å; R387-E433 PolarHBondContact NH1-OE1 2.91Å; R387-E433 IonicContact NH1-OE2 3.71Å; R387-E433 PolarHBondContact NH1-OE2 3.3Å; R387-E433 IonicContact NH2-OE1 3.06Å; R387-K439 HydrophobicContact CB-CB 4.24Å; R387-K439 HydrophobicContact CB-CD 3.92Å; R387-I440 WeakPolarHBondContact CA-O 3.49Å
388	W	95.4	Very high	90.5	Very high	21 Å²	21	40.7 Å²	40.7	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.8	-174.8	-70.5	113.4	0	0	0	112	K290 R293 L294 E297 V390 L392 F393 K439 I440	K290-W388 HydrophobicContact CB-CZ3 3.98Å; K290-W388 HydrophobicContact CG-CZ3 4.48Å; K290-W388 WeakPolarHBondContact O-CH2 3.28Å; K290-W388 VanDerWaalsContact O-CZ3 3.31Å; K290-W388 WeakPolarHBondContact O-CZ3 3.39Å; R293-W388 HydrophobicContact CB-CH2 3.92Å; R293-W388 HydrophobicContact CG-CH2 3.7Å; R293-W388 HydrophobicContact CG-CZ2 3.93Å; L294-W388 HydrophobicContact CB-CH2 4.29Å; L294-W388 HydrophobicContact CB-CZ2 4.42Å; L294-W388 HydrophobicContact CB-CZ3 4.33Å; L294-W388 HydrophobicContact CD1-CD2 4.26Å; L294-W388 HydrophobicContact CD1-CG 4.42Å; E297-W388 PolarHBondContact OE2-NE1 3.16Å; W388-V390 PolarHBondContact O-N 2.59Å; W388-L392 HydrophobicContact CE3-CD2 3.77Å; W388-L392 HydrophobicContact CZ3-CD2 4.05Å; W388-F393 HydrophobicContact CB-CD2 3.83Å; W388-F393 HydrophobicContact CB-CE2 3.39Å; W388-F393 HydrophobicContact CB-CZ 4.48Å; W388-F393 AromaticContact CD1-CE2 3.9Å; W388-F393 AromaticContact CG-CE2 3.71Å; W388-F393 HydrophobicContact CG-CE2 3.71Å; W388-K439 CarbonylContact O-C 3.59Å; W388-K439 WeakPolarHBondContact O-CA 3.46Å; W388-I440 PolarHBondContact N-O 3.3Å; W388-I440 VanDerWaalsContact N-O 3.09Å; W388-I440 PolarHBondContact O-N 3.31Å
389	P	96.3	Very high	90.8	Very high	34 Å²	34	40.2 Å²	40.2	22%	0.221	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	136	173.1	-23.5	34.3	0	0	0	111.9	D391 L392 F393 V437 K438	P389-D391 VanDerWaalsContact C-N 3.3Å; P389-D391 PolarHBondContact O-N 3.28Å; P389-L392 HydrophobicContact CB-CB 4.35Å; P389-L392 WeakPolarHBondContact O-CB 3.35Å; P389-L392 PolarHBondContact O-N 3.16Å; P389-F393 PolarHBondContact O-N 2.98Å; P389-V437 HydrophobicContact CB-CG1 4.05Å; P389-K438 WeakPolarHBondContact CA-O 3.46Å
390	V	97.4	Very high	91.4	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-40.5	178.7	165.7	0	0	0	0	111.6	W388 L392 F393 Q394 L401 Y405 K438 I440	W388-V390 PolarHBondContact O-N 2.59Å; V390-L392 PolarHBondContact O-N 3.18Å; V390-F393 WeakPolarHBondContact O-CB 3.38Å; V390-F393 PolarHBondContact O-N 3Å; V390-Q394 PolarHBondContact O-N 3.2Å; V390-L401 HydrophobicContact CG1-CD1 4.24Å; V390-L401 HydrophobicContact CG1-CD2 4.07Å; V390-Y405 VanDerWaalsContact CG1-OH 3.25Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.48Å; V390-K438 HydrophobicContact CB-CB 4.03Å; V390-K438 HydrophobicContact CG2-CB 3.66Å; V390-K438 PolarHBondContact N-O 3.45Å; V390-I440 HydrophobicContact CG2-CG1 3.98Å
391	D	95.7	Very high	92.2	Very high	109 Å²	109	39 Å²	39	58%	0.583	20%	0.204	S	C	*	.	H	α-helix	trans	-61.6	-33.8	-179	-57.8	-25.4	0	0	0	112.3	P389 Q394 N395	P389-D391 VanDerWaalsContact C-N 3.3Å; P389-D391 PolarHBondContact O-N 3.28Å; D391-Q394 PolarHBondContact O-N 3.14Å; D391-N395 PolarHBondContact O-N 3.34Å
392	L	95.4	Very high	93	Very high	5 Å²	5	41 Å²	41	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-43.4	175.6	-177.9	65.3	0	0	0	110.8	F287 E291 L294 W388 P389 V390 N395 L396	F287-L392 HydrophobicContact CE2-CD1 4.19Å; F287-L392 HydrophobicContact CZ-CD1 3.92Å; E291-L392 HydrophobicContact CB-CD1 3.89Å; E291-L392 HydrophobicContact CG-CD1 4.02Å; L294-L392 HydrophobicContact CB-CD2 4.43Å; L294-L392 HydrophobicContact CD2-CD2 3.83Å; L294-L392 HydrophobicContact CD2-CG 3.89Å; W388-L392 HydrophobicContact CE3-CD2 3.77Å; W388-L392 HydrophobicContact CZ3-CD2 4.05Å; P389-L392 HydrophobicContact CB-CB 4.35Å; P389-L392 WeakPolarHBondContact O-CB 3.35Å; P389-L392 PolarHBondContact O-N 3.16Å; V390-L392 PolarHBondContact O-N 3.18Å; L392-N395 PolarHBondContact O-N 3.39Å; L392-L396 VanDerWaalsContact O-CB 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.11Å; L392-L396 PolarHBondContact O-N 2.93Å
393	F	96.2	Very high	94.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-42.4	173.9	-96.6	-106.9	0	0	0	112.2	L294 L345 W388 P389 V390 N395 L396 L397 L401 I404 I440 M442	L294-F393 HydrophobicContact CD1-CE2 3.71Å; L294-F393 HydrophobicContact CD1-CZ 3.87Å; L294-F393 HydrophobicContact CD2-CD2 3.77Å; L294-F393 HydrophobicContact CD2-CE2 3.64Å; L294-F393 HydrophobicContact CD2-CZ 4.35Å; L294-F393 HydrophobicContact CG-CE2 4.35Å; L345-F393 HydrophobicContact CD2-CE1 3.61Å; L345-F393 HydrophobicContact CD2-CZ 3.79Å; W388-F393 HydrophobicContact CB-CD2 3.83Å; W388-F393 HydrophobicContact CB-CE2 3.39Å; W388-F393 HydrophobicContact CB-CZ 4.48Å; W388-F393 AromaticContact CD1-CE2 3.9Å; W388-F393 AromaticContact CG-CE2 3.71Å; W388-F393 HydrophobicContact CG-CE2 3.71Å; P389-F393 PolarHBondContact O-N 2.98Å; V390-F393 WeakPolarHBondContact O-CB 3.38Å; V390-F393 PolarHBondContact O-N 3Å; F393-N395 VanDerWaalsContact C-N 3.25Å; F393-N395 PolarHBondContact O-N 2.92Å; F393-L396 PolarHBondContact O-N 3.46Å; F393-L397 HydrophobicContact CD1-CB 4.49Å; F393-L397 HydrophobicContact CE1-CD1 4.46Å; F393-L397 CarbonylContact O-C 3.6Å; F393-L397 WeakPolarHBondContact O-CA 3.48Å; F393-L397 PolarHBondContact O-N 2.99Å; F393-L401 HydrophobicContact CB-CB 4.4Å; F393-L401 HydrophobicContact CB-CD1 4.28Å; F393-I404 HydrophobicContact CD1-CD1 4.1Å; F393-I404 HydrophobicContact CE1-CD1 3.69Å; F393-I440 HydrophobicContact CB-CD1 3.99Å; F393-I440 HydrophobicContact CD1-CD1 3.63Å; F393-I440 HydrophobicContact CD2-CD1 3.78Å; F393-I440 HydrophobicContact CE1-CD1 3.97Å; F393-I440 HydrophobicContact CE2-CD1 4.14Å; F393-I440 HydrophobicContact CG-CD1 3.51Å; F393-I440 HydrophobicContact CZ-CD1 4.2Å; F393-M442 HydrophobicContact CZ-CE 4.15Å; F393-M442 HydrophobicContact CZ-SD 4.26Å
394	Q	96.7	Very high	95.4	Very high	119 Å²	119	32.8 Å²	32.8	56%	0.556	17%	0.167	S	C	*	.	H	α-helix	trans	-60.5	-38.7	179.5	-176	174.3	-24	0	0	111.5	V390 D391 P398 L401	V390-Q394 PolarHBondContact O-N 3.2Å; D391-Q394 PolarHBondContact O-N 3.14Å; Q394-P398 WeakPolarHBondContact O-CB 3.34Å; Q394-L401 HydrophobicContact CB-CD2 3.7Å; Q394-L401 HydrophobicContact CG-CD2 4.29Å
395	N	96.2	Very high	96.4	Very high	88 Å²	88	34.5 Å²	34.5	47%	0.471	16%	0.164	S	C	.	.	H	α-helix	trans	-76.2	-47	177	-170.4	32.8	0	0	0	112.3	Y204 D391 L392 F393	Y204-N395 WeakPolarHBondContact CA-O 3.29Å; Y204-N395 WeakPolarHBondContact CD1-O 3.24Å; D391-N395 PolarHBondContact O-N 3.34Å; L392-N395 PolarHBondContact O-N 3.39Å; F393-N395 VanDerWaalsContact C-N 3.25Å; F393-N395 PolarHBondContact O-N 2.92Å
396	L	96.7	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-87	-38.6	-169.2	-170.2	68.7	0	0	0	114	F203 Y204 L294 K295 L392 F393	F203-L396 HydrophobicContact CB-CD1 4.11Å; F203-L396 HydrophobicContact CD1-CD1 3.83Å; F203-L396 HydrophobicContact CD1-CD2 4.49Å; F203-L396 HydrophobicContact CD1-CG 4.11Å; F203-L396 HydrophobicContact CG-CD1 4.35Å; Y204-L396 HydrophobicContact CD1-CD1 3.98Å; Y204-L396 HydrophobicContact CD2-CD1 4.5Å; Y204-L396 HydrophobicContact CE1-CD1 3.61Å; Y204-L396 HydrophobicContact CE2-CD1 4.19Å; Y204-L396 HydrophobicContact CG-CD1 4.41Å; Y204-L396 PolarHBondContact N-O 3.49Å; L294-L396 HydrophobicContact CB-CD2 4.14Å; L294-L396 HydrophobicContact CD2-CD2 3.82Å; L294-L396 HydrophobicContact CG-CD2 3.88Å; K295-L396 HydrophobicContact CD-CD1 4.36Å; K295-L396 HydrophobicContact CG-CD1 3.9Å; K295-L396 HydrophobicContact CG-CD2 3.77Å; K295-L396 HydrophobicContact CG-CG 4.45Å; L392-L396 VanDerWaalsContact O-CB 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.11Å; L392-L396 PolarHBondContact O-N 2.93Å; F393-L396 PolarHBondContact O-N 3.46Å
397	L	98.4	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.			trans	-138.6	59.2	-170.6	-60.2	176	0	0	0	111	F203 W216 Y298 L345 F393 R399 H400 L401	F203-L397 HydrophobicContact CD1-CD2 4.49Å; W216-L397 HydrophobicContact CH2-CD2 3.96Å; W216-L397 HydrophobicContact CZ2-CD2 4.41Å; Y298-L397 HydrophobicContact CD1-CD2 3.55Å; Y298-L397 HydrophobicContact CD2-CD1 3.99Å; Y298-L397 HydrophobicContact CD2-CD2 3.94Å; Y298-L397 HydrophobicContact CE1-CD2 3.74Å; Y298-L397 HydrophobicContact CE2-CD2 4.13Å; Y298-L397 HydrophobicContact CG-CD1 3.95Å; Y298-L397 HydrophobicContact CG-CD2 3.64Å; Y298-L397 HydrophobicContact CG-CG 4.46Å; L345-L397 HydrophobicContact CD1-CD1 3.86Å; L345-L397 HydrophobicContact CD2-CD1 4.24Å; F393-L397 HydrophobicContact CD1-CB 4.49Å; F393-L397 HydrophobicContact CE1-CD1 4.46Å; F393-L397 CarbonylContact O-C 3.6Å; F393-L397 WeakPolarHBondContact O-CA 3.48Å; F393-L397 PolarHBondContact O-N 2.99Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.22Å; L397-H400 HydrophobicContact CB-CB 4.04Å; L397-H400 PolarHBondContact O-N 3.42Å; L397-H400 VanDerWaalsContact O-N 3.13Å; L397-L401 PolarHBondContact O-N 3.42Å; L397-L401 VanDerWaalsContact O-N 3.12Å
398	P	98.4	Very high	97.6	Very high	18 Å²	18	30.5 Å²	30.5	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-35.8	-170.3	23.4	-34.4	0	0	0	113	V207 Q394 L401 E402	V207-P398 HydrophobicContact CG2-CB 4.07Å; V207-P398 HydrophobicContact CG2-CG 4.34Å; Q394-P398 WeakPolarHBondContact O-CB 3.34Å; P398-L401 PolarHBondContact O-N 3.32Å; P398-E402 PolarHBondContact O-N 2.96Å
399	R	98.6	Very high	97.8	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-39.5	177.9	-176.9	55.2	-175.3	144.8	5.6	112.4	V207 W216 R352 D356 L397 L401 E402 I403	V207-R399 HydrophobicContact CG2-CB 3.87Å; W216-R399 HydrophobicContact CB-CB 4.27Å; W216-R399 HydrophobicContact CD2-CB 4.42Å; W216-R399 HydrophobicContact CG-CB 4.2Å; R352-R399 HydrophobicContact CG-CG 3.96Å; D356-R399 IonicContact OD1-CZ 3.14Å; D356-R399 IonicContact OD1-NE 2.89Å; D356-R399 PolarHBondContact OD1-NE 2.82Å; D356-R399 IonicContact OD1-NH2 2.94Å; D356-R399 PolarHBondContact OD1-NH2 3.06Å; D356-R399 IonicContact OD2-CZ 2.96Å; D356-R399 IonicContact OD2-NE 3.2Å; D356-R399 PolarHBondContact OD2-NE 3.44Å; D356-R399 IonicContact OD2-NH2 2.65Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.22Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.01Å; R399-E402 IonicContact CZ-OE2 3.92Å; R399-E402 IonicContact NH1-OE2 3.04Å; R399-E402 PolarHBondContact NH1-OE2 3.25Å; R399-E402 PolarHBondContact O-N 3.17Å; R399-I403 HydrophobicContact CG-CD1 4.26Å; R399-I403 WeakPolarHBondContact O-CG1 3.44Å; R399-I403 PolarHBondContact O-N 3.18Å; R399-I403 VanDerWaalsContact O-N 3.14Å
400	H	98.8	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-35.1	177.7	-56.5	74.7	0	0	0	111.2	W216 Y298 P348 E349 L397 I403 I404	W216-H400 AromaticContact CH2-CE1 3.98Å; W216-H400 AromaticContact CZ3-CE1 3.68Å; Y298-H400 AromaticContact CE2-CD2 3.95Å; Y298-H400 AromaticContact CE2-CE1 3.52Å; Y298-H400 AromaticContact CE2-NE2 3.22Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.36Å; Y298-H400 AromaticContact CZ-CE1 3.56Å; Y298-H400 AromaticContact CZ-NE2 3.66Å; Y298-H400 PolarHBondContact OH-CE1 3.25Å; Y298-H400 VanDerWaalsContact OH-CE1 3.28Å; Y298-H400 PolarHBondContact OH-NE2 3.2Å; P348-H400 HydrophobicContact CB-CB 4.41Å; E349-H400 IonicContact OE2-CD2 3.62Å; E349-H400 IonicContact OE2-CE1 3.76Å; E349-H400 IonicContact OE2-NE2 3.86Å; E349-H400 PolarHBondContact OE2-NE2 2.97Å; L397-H400 HydrophobicContact CB-CB 4.04Å; L397-H400 PolarHBondContact O-N 3.42Å; L397-H400 VanDerWaalsContact O-N 3.13Å; H400-I403 PolarHBondContact O-N 2.91Å; H400-I404 WeakPolarHBondContact O-CB 3.44Å; H400-I404 WeakPolarHBondContact O-CD1 3.24Å; H400-I404 WeakPolarHBondContact O-CG1 3.39Å; H400-I404 PolarHBondContact O-N 2.64Å
401	L	98.7	Very high	97.9	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-45.5	174	-178.1	61	0	0	0	112	V390 F393 Q394 L397 P398 R399 I403 I404 Y405 I440	V390-L401 HydrophobicContact CG1-CD1 4.24Å; V390-L401 HydrophobicContact CG1-CD2 4.07Å; F393-L401 HydrophobicContact CB-CB 4.4Å; F393-L401 HydrophobicContact CB-CD1 4.28Å; Q394-L401 HydrophobicContact CB-CD2 3.7Å; Q394-L401 HydrophobicContact CG-CD2 4.29Å; L397-L401 PolarHBondContact O-N 3.42Å; L397-L401 VanDerWaalsContact O-N 3.12Å; P398-L401 PolarHBondContact O-N 3.32Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.01Å; L401-I403 VanDerWaalsContact C-N 3.32Å; L401-I403 PolarHBondContact O-N 2.63Å; L401-I404 PolarHBondContact O-N 3.31Å; L401-Y405 HydrophobicContact CD1-CD2 4.07Å; L401-Y405 HydrophobicContact CD1-CE2 3.58Å; L401-Y405 HydrophobicContact CD2-CE2 3.95Å; L401-Y405 HydrophobicContact CG-CD2 3.91Å; L401-Y405 HydrophobicContact CG-CE2 3.52Å; L401-Y405 WeakPolarHBondContact O-CD2 3.5Å; L401-Y405 PolarHBondContact O-N 3.48Å; L401-I440 HydrophobicContact CD1-CD1 3.82Å
402	E	98.6	Very high	98	Very high	61 Å²	61	33.2 Å²	33.2	29%	0.285	15%	0.15	S	C	.	.	H	α-helix	trans	-58.6	-43.6	174.4	-69.2	-176.2	167.3	0	0	111.9	H209 P398 R399 Y405 E406	H209-E402 IonicContact CE1-OE1 3.28Å; H209-E402 IonicContact CE1-OE2 3.7Å; H209-E402 IonicContact NE2-OE1 2.76Å; H209-E402 PolarHBondContact NE2-OE1 2.84Å; H209-E402 IonicContact NE2-OE2 2.99Å; P398-E402 PolarHBondContact O-N 2.96Å; R399-E402 IonicContact CZ-OE2 3.92Å; R399-E402 IonicContact NH1-OE2 3.04Å; R399-E402 PolarHBondContact NH1-OE2 3.25Å; R399-E402 PolarHBondContact O-N 3.17Å; E402-Y405 PolarHBondContact O-N 3.18Å; E402-E406 PolarHBondContact O-N 2.9Å
403	I	98.8	Very high	98.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-43.3	177.4	-68.5	169.5	0	0	0	110.9	P348 M351 R352 W362 R399 H400 L401 Y405 E406 I407	P348-I403 HydrophobicContact CB-CB 4.43Å; P348-I403 HydrophobicContact CB-CG2 3.86Å; M351-I403 HydrophobicContact CB-CG2 3.84Å; M351-I403 HydrophobicContact CG-CG2 4.39Å; R352-I403 HydrophobicContact CB-CD1 3.59Å; R352-I403 HydrophobicContact CG-CD1 4.03Å; W362-I403 HydrophobicContact CH2-CG2 3.99Å; W362-I403 HydrophobicContact CZ3-CG2 4.41Å; R399-I403 HydrophobicContact CG-CD1 4.26Å; R399-I403 WeakPolarHBondContact O-CG1 3.44Å; R399-I403 PolarHBondContact O-N 3.18Å; R399-I403 VanDerWaalsContact O-N 3.14Å; H400-I403 PolarHBondContact O-N 2.91Å; L401-I403 VanDerWaalsContact C-N 3.32Å; L401-I403 PolarHBondContact O-N 2.63Å; I403-Y405 PolarHBondContact O-N 3.44Å; I403-E406 PolarHBondContact O-N 2.79Å; I403-I407 HydrophobicContact CG2-CD1 3.9Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.24Å; I403-I407 PolarHBondContact O-N 3.09Å
404	I	98.8	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-41.3	178	-71	164.4	0	0	0	110.8	P348 F393 H400 L401 E406 I407 N408 L431 I432 I440 L445	P348-I404 HydrophobicContact CB-CG1 4.12Å; P348-I404 HydrophobicContact CG-CD1 4.32Å; P348-I404 HydrophobicContact CG-CG1 4.26Å; F393-I404 HydrophobicContact CD1-CD1 4.1Å; F393-I404 HydrophobicContact CE1-CD1 3.69Å; H400-I404 WeakPolarHBondContact O-CB 3.44Å; H400-I404 WeakPolarHBondContact O-CD1 3.24Å; H400-I404 WeakPolarHBondContact O-CG1 3.39Å; H400-I404 PolarHBondContact O-N 2.64Å; L401-I404 PolarHBondContact O-N 3.31Å; I404-E406 VanDerWaalsContact C-N 3.33Å; I404-E406 PolarHBondContact O-N 3.05Å; I404-I407 PolarHBondContact O-N 3.16Å; I404-N408 WeakPolarHBondContact O-CB 3.43Å; I404-N408 PolarHBondContact O-N 3.18Å; I404-L431 HydrophobicContact CG2-CD2 4.46Å; I404-I432 HydrophobicContact CG2-CD1 4.18Å; I404-I440 HydrophobicContact CD1-CD1 4.16Å; I404-I440 HydrophobicContact CG2-CG2 4.02Å; I404-L445 HydrophobicContact CD1-CD2 4.35Å; I404-L445 HydrophobicContact CG1-CD2 4.35Å
405	Y	98.8	Very high	98.1	Very high	85 Å²	85	36.9 Å²	36.9	33%	0.333	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-41	174.8	-77.5	-46.3	0	0	0	112.3	V390 L401 E402 I403 N408 R409 I432	V390-Y405 VanDerWaalsContact CG1-OH 3.25Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.48Å; L401-Y405 HydrophobicContact CD1-CD2 4.07Å; L401-Y405 HydrophobicContact CD1-CE2 3.58Å; L401-Y405 HydrophobicContact CD2-CE2 3.95Å; L401-Y405 HydrophobicContact CG-CD2 3.91Å; L401-Y405 HydrophobicContact CG-CE2 3.52Å; L401-Y405 WeakPolarHBondContact O-CD2 3.5Å; L401-Y405 PolarHBondContact O-N 3.48Å; E402-Y405 PolarHBondContact O-N 3.18Å; I403-Y405 PolarHBondContact O-N 3.44Å; Y405-N408 PolarHBondContact O-N 3.35Å; Y405-R409 WeakPolarHBondContact O-CB 3.36Å; Y405-R409 PolarHBondContact O-N 3.34Å; Y405-I432 HydrophobicContact CD1-CD1 3.98Å; Y405-I432 HydrophobicContact CD1-CG1 3.9Å; Y405-I432 HydrophobicContact CE1-CD1 3.68Å; Y405-I432 HydrophobicContact CE1-CG1 3.73Å; Y405-I432 HydrophobicContact CE1-CG2 4.37Å
406	E	98.7	Very high	98	Very high	46 Å²	46	35.2 Å²	35.2	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-39.5	177.2	179.7	63.8	179.7	0	0	112.3	W362 E402 I403 I404 N408 R409 R410	W362-E406 HydrophobicContact CD2-CG 4.25Å; W362-E406 HydrophobicContact CE3-CG 4.2Å; W362-E406 HydrophobicContact CH2-CB 3.67Å; W362-E406 HydrophobicContact CH2-CG 3.42Å; W362-E406 VanDerWaalsContact CH2-CG 3.42Å; W362-E406 HydrophobicContact CZ2-CB 4.06Å; W362-E406 HydrophobicContact CZ2-CG 3.49Å; W362-E406 VanDerWaalsContact CZ2-CG 3.49Å; W362-E406 HydrophobicContact CZ3-CB 4.24Å; W362-E406 HydrophobicContact CZ3-CG 3.81Å; E402-E406 PolarHBondContact O-N 2.9Å; I403-E406 PolarHBondContact O-N 2.79Å; I404-E406 VanDerWaalsContact C-N 3.33Å; I404-E406 PolarHBondContact O-N 3.05Å; E406-N408 VanDerWaalsContact C-N 3.33Å; E406-N408 PolarHBondContact O-N 3.45Å; E406-R409 VanDerWaalsContact CD-NH2 3.31Å; E406-R409 PolarHBondContact O-N 3.49Å; E406-R409 IonicContact OE1-CZ 3.78Å; E406-R409 IonicContact OE1-NE 3.63Å; E406-R409 IonicContact OE1-NH2 3.12Å; E406-R409 PolarHBondContact OE1-NH2 3.31Å; E406-R409 IonicContact OE2-CZ 3.68Å; E406-R409 IonicContact OE2-NE 3.56Å; E406-R409 PolarHBondContact OE2-NE 2.68Å; E406-R409 IonicContact OE2-NH2 3.8Å; E406-R409 PolarHBondContact OE2-NH2 3.35Å; E406-R410 WeakPolarHBondContact O-CG 3.44Å; E406-R410 PolarHBondContact O-N 2.97Å; E406-R410 VanDerWaalsContact O-N 3.14Å; E406-R410 IonicContact OE1-CZ 2.66Å; E406-R410 IonicContact OE1-NE 3.56Å; E406-R410 PolarHBondContact OE1-NE 2.92Å; E406-R410 IonicContact OE1-NH2 2.77Å; E406-R410 PolarHBondContact OE1-NH2 3.25Å
407	I	98.8	Very high	98	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-47.7	170.7	-68.8	166.3	0	0	0	109.8	I347 W362 W366 I403 I404 H411 L431 L445 V448	I347-I407 HydrophobicContact CG2-CD1 4.32Å; W362-I407 HydrophobicContact CH2-CG1 4.1Å; W362-I407 HydrophobicContact CZ2-CG1 3.83Å; W366-I407 HydrophobicContact CE3-CD1 4.46Å; W366-I407 HydrophobicContact CE3-CG1 4.36Å; W366-I407 HydrophobicContact CH2-CD1 3.98Å; W366-I407 HydrophobicContact CH2-CG1 4.01Å; W366-I407 HydrophobicContact CH2-CG2 3.76Å; W366-I407 HydrophobicContact CZ2-CG2 4.14Å; W366-I407 HydrophobicContact CZ3-CD1 3.61Å; W366-I407 HydrophobicContact CZ3-CG1 3.81Å; W366-I407 HydrophobicContact CZ3-CG2 4.42Å; I403-I407 HydrophobicContact CG2-CD1 3.9Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.24Å; I403-I407 PolarHBondContact O-N 3.09Å; I404-I407 PolarHBondContact O-N 3.16Å; I407-H411 VanDerWaalsContact O-CB 3.27Å; I407-H411 WeakPolarHBondContact O-CB 3.25Å; I407-H411 PolarHBondContact O-N 3.44Å; I407-L431 HydrophobicContact CG2-CD2 3.83Å; I407-L445 HydrophobicContact CD1-CD1 4.19Å; I407-L445 HydrophobicContact CG2-CD1 4.5Å; I407-V448 HydrophobicContact CG2-CG1 3.92Å
408	N	98.7	Very high	97.8	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-45.8	-179.7	-169	51.6	0	0	0	111.9	I404 Y405 E406 R410 H411 L412 S430 L431 I432	I404-N408 WeakPolarHBondContact O-CB 3.43Å; I404-N408 PolarHBondContact O-N 3.18Å; Y405-N408 PolarHBondContact O-N 3.35Å; E406-N408 VanDerWaalsContact C-N 3.33Å; E406-N408 PolarHBondContact O-N 3.45Å; N408-R410 PolarHBondContact O-N 2.9Å; N408-H411 PolarHBondContact O-N 3.12Å; N408-L412 WeakPolarHBondContact O-CB 3.43Å; N408-L412 VanDerWaalsContact O-CG 3.31Å; N408-L412 WeakPolarHBondContact O-CG 3.18Å; N408-L412 PolarHBondContact O-N 3.4Å; N408-S430 PolarHBondContact ND2-OG 2.92Å; N408-S430 PolarHBondContact OD1-OG 2.92Å; N408-L431 HydrophobicContact CB-CB 4.17Å; N408-L431 PolarHBondContact OD1-N 2.95Å; N408-I432 HydrophobicContact CB-CG1 4.48Å
409	R	98.6	Very high	97.6	Very high	98 Å²	98	46.2 Å²	46.2	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-55.9	-53	178.8	-174.6	-171.2	65.7	76.2	2.6	111.1	Y405 E406 H411 L412 E413	Y405-R409 WeakPolarHBondContact O-CB 3.36Å; Y405-R409 PolarHBondContact O-N 3.34Å; E406-R409 VanDerWaalsContact CD-NH2 3.31Å; E406-R409 PolarHBondContact O-N 3.49Å; E406-R409 IonicContact OE1-CZ 3.78Å; E406-R409 IonicContact OE1-NE 3.63Å; E406-R409 IonicContact OE1-NH2 3.12Å; E406-R409 PolarHBondContact OE1-NH2 3.31Å; E406-R409 IonicContact OE2-CZ 3.68Å; E406-R409 IonicContact OE2-NE 3.56Å; E406-R409 PolarHBondContact OE2-NE 2.68Å; E406-R409 IonicContact OE2-NH2 3.8Å; E406-R409 PolarHBondContact OE2-NH2 3.35Å; R409-H411 VanDerWaalsContact C-N 3.32Å; R409-H411 PolarHBondContact O-N 3.49Å; R409-L412 PolarHBondContact O-N 3.01Å; R409-E413 IonicContact CZ-OE1 2.78Å; R409-E413 IonicContact CZ-OE2 2.73Å; R409-E413 IonicContact NH1-OE1 2.83Å; R409-E413 PolarHBondContact NH1-OE1 3.24Å; R409-E413 IonicContact NH1-OE2 3.43Å; R409-E413 PolarHBondContact NH1-OE2 3.47Å; R409-E413 WeakPolarHBondContact O-CG 3.39Å; R409-E413 PolarHBondContact O-N 2.8Å
410	R	98.4	Very high	97.4	Very high	78 Å²	78	50.3 Å²	50.3	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-37.1	179.5	-67.4	172.7	179.9	-91.3	4.1	112.5	W362 E363 E406 N408 R414	W362-R410 VanDerWaalsContact CD1-CZ 3.41Å; W362-R410 VanDerWaalsContact NE1-NE 3.18Å; E363-R410 IonicContact OE1-CZ 2.68Å; E363-R410 IonicContact OE1-NH1 3.11Å; E363-R410 PolarHBondContact OE1-NH1 3.18Å; E406-R410 WeakPolarHBondContact O-CG 3.44Å; E406-R410 PolarHBondContact O-N 2.97Å; E406-R410 VanDerWaalsContact O-N 3.14Å; E406-R410 IonicContact OE1-CZ 2.66Å; E406-R410 IonicContact OE1-NE 3.56Å; E406-R410 PolarHBondContact OE1-NE 2.92Å; E406-R410 IonicContact OE1-NH2 2.77Å; E406-R410 PolarHBondContact OE1-NH2 3.25Å; N408-R410 PolarHBondContact O-N 2.9Å; R410-R414 PolarHBondContact O-N 3.11Å; R410-R414 VanDerWaalsContact O-N 3.07Å
411	H	97.9	Very high	97.1	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-47	175.6	179.2	54.1	0	0	0	111.8	I407 N408 R409 R414 I415 V448 F472	I407-H411 VanDerWaalsContact O-CB 3.27Å; I407-H411 WeakPolarHBondContact O-CB 3.25Å; I407-H411 PolarHBondContact O-N 3.44Å; N408-H411 PolarHBondContact O-N 3.12Å; R409-H411 VanDerWaalsContact C-N 3.32Å; R409-H411 PolarHBondContact O-N 3.49Å; H411-R414 WeakPolarHBondContact O-CB 3.39Å; H411-R414 PolarHBondContact O-N 2.94Å; H411-I415 VanDerWaalsContact NE2-CD1 3.27Å; H411-I415 WeakPolarHBondContact NE2-CD1 3.15Å; H411-I415 WeakPolarHBondContact O-CG1 3.15Å; H411-I415 PolarHBondContact O-N 2.65Å; H411-V448 HydrophobicContact CB-CG1 4.29Å; H411-F472 AromaticContact NE2-CE1 3.62Å
412	L	97.8	Very high	96.9	Very high	38 Å²	38	55.3 Å²	55.3	20%	0.199	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-33.4	178.7	-66.9	178.9	0	0	0	112.4	N408 R409 I415 S416 L426	N408-L412 WeakPolarHBondContact O-CB 3.43Å; N408-L412 VanDerWaalsContact O-CG 3.31Å; N408-L412 WeakPolarHBondContact O-CG 3.18Å; N408-L412 PolarHBondContact O-N 3.4Å; R409-L412 PolarHBondContact O-N 3.01Å; L412-I415 HydrophobicContact CD2-CD1 4Å; L412-I415 PolarHBondContact O-N 3.23Å; L412-S416 WeakPolarHBondContact O-CB 3.42Å; L412-S416 PolarHBondContact O-N 3.24Å; L412-S416 PolarHBondContact O-OG 2.98Å; L412-L426 HydrophobicContact CB-CD2 4.15Å; L412-L426 HydrophobicContact CD2-CB 4.38Å; L412-L426 HydrophobicContact CD2-CD2 3.89Å; L412-L426 VanDerWaalsContact CD2-O 3.29Å; L412-L426 WeakPolarHBondContact CD2-O 3.37Å; L412-L426 WeakPolarHBondContact O-CD2 3.44Å
413	E	97.1	Very high	96.7	Very high	94 Å²	94	59.1 Å²	59.1	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-43.7	170.8	-77.2	170.2	-176.9	0	0	111.8	R409 S416 T417	R409-E413 IonicContact CZ-OE1 2.78Å; R409-E413 IonicContact CZ-OE2 2.73Å; R409-E413 IonicContact NH1-OE1 2.83Å; R409-E413 PolarHBondContact NH1-OE1 3.24Å; R409-E413 IonicContact NH1-OE2 3.43Å; R409-E413 PolarHBondContact NH1-OE2 3.47Å; R409-E413 WeakPolarHBondContact O-CG 3.39Å; R409-E413 PolarHBondContact O-N 2.8Å; E413-S416 PolarHBondContact O-N 3.03Å; E413-T417 PolarHBondContact O-N 3.43Å; E413-T417 VanDerWaalsContact O-N 3.08Å; E413-T417 PolarHBondContact O-OG1 3.03Å
414	R	96.4	Very high	96.6	Very high	107 Å²	107	62.3 Å²	62.3	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-46.5	173.2	-179.3	-177.4	173.7	-150.8	-6.5	111.3	R410 H411 S416 T417 V418 D476	R410-R414 PolarHBondContact O-N 3.11Å; R410-R414 VanDerWaalsContact O-N 3.07Å; H411-R414 WeakPolarHBondContact O-CB 3.39Å; H411-R414 PolarHBondContact O-N 2.94Å; R414-S416 PolarHBondContact O-N 3.45Å; R414-T417 WeakPolarHBondContact O-CB 3.46Å; R414-T417 PolarHBondContact O-N 3.44Å; R414-V418 WeakPolarHBondContact O-CG2 3.17Å; R414-V418 PolarHBondContact O-N 2.88Å; R414-V418 VanDerWaalsContact O-N 3.07Å; R414-D476 IonicContact CZ-OD1 3.87Å; R414-D476 IonicContact CZ-OD2 2.96Å; R414-D476 IonicContact NH1-OD1 3.46Å; R414-D476 IonicContact NH1-OD2 2.83Å; R414-D476 PolarHBondContact NH1-OD2 3Å; R414-D476 VanDerWaalsContact NH2-CG 3.3Å; R414-D476 IonicContact NH2-OD1 2.86Å; R414-D476 PolarHBondContact NH2-OD1 3.19Å; R414-D476 IonicContact NH2-OD2 2.73Å; R414-D476 PolarHBondContact NH2-OD2 3.49Å
415	I	96.1	Very high	96.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44	178.4	-66.8	160.1	0	0	0	110.9	H411 L412 T417 V418 Y419 R425 L426 M429 L475	H411-I415 VanDerWaalsContact NE2-CD1 3.27Å; H411-I415 WeakPolarHBondContact NE2-CD1 3.15Å; H411-I415 WeakPolarHBondContact O-CG1 3.15Å; H411-I415 PolarHBondContact O-N 2.65Å; L412-I415 HydrophobicContact CD2-CD1 4Å; L412-I415 PolarHBondContact O-N 3.23Å; I415-T417 PolarHBondContact O-N 2.92Å; I415-V418 PolarHBondContact O-N 3.21Å; I415-Y419 HydrophobicContact CG2-CD2 4.27Å; I415-Y419 PolarHBondContact O-N 3.43Å; I415-R425 HydrophobicContact CG2-CG 4.33Å; I415-L426 HydrophobicContact CB-CD2 3.64Å; I415-L426 HydrophobicContact CG2-CD2 3.46Å; I415-L426 VanDerWaalsContact CG2-CD2 3.46Å; I415-L426 HydrophobicContact CG2-CG 4.14Å; I415-M429 HydrophobicContact CD1-CB 3.62Å; I415-M429 HydrophobicContact CD1-CE 3.99Å; I415-M429 HydrophobicContact CD1-CG 4.34Å; I415-M429 HydrophobicContact CD1-SD 3.8Å; I415-M429 HydrophobicContact CG1-CE 4.31Å; I415-M429 HydrophobicContact CG1-SD 4.16Å; I415-M429 HydrophobicContact CG2-SD 4.43Å; I415-L475 HydrophobicContact CG1-CD2 4.17Å
416	S	95.9	Very high	96.2	Very high	52 Å²	52	61 Å²	61	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-29.9	179.5	-58	0	0	0	0	112.2	L412 E413 R414 P420 L426	L412-S416 WeakPolarHBondContact O-CB 3.42Å; L412-S416 PolarHBondContact O-N 3.24Å; L412-S416 PolarHBondContact O-OG 2.98Å; E413-S416 PolarHBondContact O-N 3.03Å; R414-S416 PolarHBondContact O-N 3.45Å; S416-P420 WeakPolarHBondContact O-CA 3.38Å; S416-L426 WeakPolarHBondContact OG-CD1 3.32Å; S416-L426 WeakPolarHBondContact OG-CD2 3.46Å
417	T	95.5	Very high	96	Very high	112 Å²	112	67.2 Å²	67.2	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-76	-41.9	176.1	-54.5	0	0	0	0	112	E413 R414 I415	E413-T417 PolarHBondContact O-N 3.43Å; E413-T417 VanDerWaalsContact O-N 3.08Å; E413-T417 PolarHBondContact O-OG1 3.03Å; R414-T417 WeakPolarHBondContact O-CB 3.46Å; R414-T417 PolarHBondContact O-N 3.44Å; I415-T417 PolarHBondContact O-N 2.92Å
418	V	94.9	Very high	95.9	Very high	76 Å²	76	71.7 Å²	71.7	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-78.8	-35.6	-177.7	178.7	0	0	0	0	112.2	R414 I415 P420 L475	R414-V418 WeakPolarHBondContact O-CG2 3.17Å; R414-V418 PolarHBondContact O-N 2.88Å; R414-V418 VanDerWaalsContact O-N 3.07Å; I415-V418 PolarHBondContact O-N 3.21Å; V418-P420 WeakPolarHBondContact O-CD 3.06Å; V418-L475 HydrophobicContact CB-CD1 4.29Å; V418-L475 HydrophobicContact CG1-CD1 4.14Å; V418-L475 HydrophobicContact CG2-CD1 4.22Å
419	Y	94.6	Very high	95.8	Very high	61 Å²	61	71 Å²	71	24%	0.239	35%	0.354	C	S	.	.	S	Bend	trans	-125.6	72.2	-179.4	-56.6	-77.1	0	0	0	111	I415 G421 D422 D474 L475	I415-Y419 HydrophobicContact CG2-CD2 4.27Å; I415-Y419 PolarHBondContact O-N 3.43Å; Y419-G421 PolarHBondContact O-N 3.49Å; Y419-D422 PolarHBondContact O-N 3.25Å; Y419-D474 PolarHBondContact OH-O 2.95Å; Y419-D474 VanDerWaalsContact OH-O 3.13Å; Y419-L475 HydrophobicContact CE2-CB 4.45Å; Y419-L475 HydrophobicContact CE2-CD1 3.92Å
420	P	94.4	Very high	95.8	Very high	106 Å²	106	66.9 Å²	66.9	69%	0.688	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	127.9	-178	-18.6	31.2	0	0	0	111.5	S416 V418	S416-P420 WeakPolarHBondContact O-CA 3.38Å; V418-P420 WeakPolarHBondContact O-CD 3.06Å
421	G	92.6	Very high	95.8	Very high	62 Å²	62	63.2 Å²	63.2	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-7.2	176.1	0	0	0	0	0	116.2	Y419 H423	Y419-G421 PolarHBondContact O-N 3.49Å; G421-H423 VanDerWaalsContact C-N 3.3Å; G421-H423 PolarHBondContact O-N 3.42Å
422	D	94.4	Very high	95.8	Very high	53 Å²	53	62.9 Å²	62.9	28%	0.283	33%	0.326	S	S	.	.			trans	-83.5	72.3	174.4	-168.9	-9	0	0	0	111.1	Y419 D424 R425 L426	Y419-D422 PolarHBondContact O-N 3.25Å; D422-D424 PolarHBondContact O-N 2.98Å; D422-R425 HydrophobicContact CB-CB 4.1Å; D422-R425 PolarHBondContact O-N 3.41Å; D422-R425 WeakPolarHBondContact OD1-CB 3.45Å; D422-R425 PolarHBondContact OD1-N 3.07Å; D422-R425 VanDerWaalsContact OD2-CB 3.24Å; D422-R425 WeakPolarHBondContact OD2-CB 3.3Å; D422-R425 IonicContact OD2-NE 2.75Å; D422-R425 PolarHBondContact OD2-NE 3.42Å; D422-R425 VanDerWaalsContact OD2-NE 3.07Å; D422-L426 PolarHBondContact O-N 2.99Å
423	H	93.6	Very high	95.7	Very high	142 Å²	142	63 Å²	63	66%	0.657	33%	0.325	S	S	*	.	H	α-helix	trans	-64.5	-26.5	-178.8	-65.3	-64.4	0	0	0	113.6	G421 R427	G421-H423 VanDerWaalsContact C-N 3.3Å; G421-H423 PolarHBondContact O-N 3.42Å; H423-R427 PolarHBondContact O-N 2.93Å
424	D	95.8	Very high	95.6	Very high	67 Å²	67	64.9 Å²	64.9	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-73.8	-38.5	178.1	-162.9	49.7	0	0	0	111.3	D422 L426 R427 R428	D422-D424 PolarHBondContact O-N 2.98Å; D424-L426 VanDerWaalsContact C-N 3.33Å; D424-L426 PolarHBondContact O-N 3.47Å; D424-R427 WeakPolarHBondContact O-CB 3.3Å; D424-R427 PolarHBondContact O-N 3.47Å; D424-R427 VanDerWaalsContact O-N 3.16Å; D424-R427 IonicContact OD1-CZ 3.94Å; D424-R427 VanDerWaalsContact OD1-CZ 3.24Å; D424-R427 IonicContact OD1-NE 3.9Å; D424-R427 PolarHBondContact OD1-NE 3.09Å; D424-R427 IonicContact OD1-NH2 2.79Å; D424-R427 PolarHBondContact OD1-NH2 3.42Å; D424-R427 IonicContact OD2-NH2 3.76Å; D424-R428 VanDerWaalsContact CG-NH1 3.34Å; D424-R428 WeakPolarHBondContact O-CG 3.48Å; D424-R428 PolarHBondContact O-N 2.96Å; D424-R428 IonicContact OD2-CZ 3.36Å; D424-R428 IonicContact OD2-NH1 3.16Å; D424-R428 PolarHBondContact OD2-NH1 3.37Å
425	R	94.8	Very high	95.4	Very high	27 Å²	27	62.3 Å²	62.3	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-41.5	171.5	-179.6	179.1	-66.3	-95.7	-1.5	112.2	I415 D422 R427 R428 M429 D471 D474	I415-R425 HydrophobicContact CG2-CG 4.33Å; D422-R425 HydrophobicContact CB-CB 4.1Å; D422-R425 PolarHBondContact O-N 3.41Å; D422-R425 WeakPolarHBondContact OD1-CB 3.45Å; D422-R425 PolarHBondContact OD1-N 3.07Å; D422-R425 VanDerWaalsContact OD2-CB 3.24Å; D422-R425 WeakPolarHBondContact OD2-CB 3.3Å; D422-R425 IonicContact OD2-NE 2.75Å; D422-R425 PolarHBondContact OD2-NE 3.42Å; D422-R425 VanDerWaalsContact OD2-NE 3.07Å; R425-R427 VanDerWaalsContact C-N 3.27Å; R425-R427 PolarHBondContact O-N 3.26Å; R425-R428 PolarHBondContact O-N 3.05Å; R425-M429 HydrophobicContact CG-CG 4.08Å; R425-M429 HydrophobicContact CG-SD 3.51Å; R425-M429 VanDerWaalsContact CG-SD 3.51Å; R425-M429 WeakPolarHBondContact O-CB 3.4Å; R425-M429 WeakPolarHBondContact O-CG 3.47Å; R425-M429 PolarHBondContact O-N 3.23Å; R425-D471 IonicContact CZ-OD1 3.24Å; R425-D471 VanDerWaalsContact CZ-OD1 3.31Å; R425-D471 IonicContact NH1-OD1 2.89Å; R425-D471 PolarHBondContact NH1-OD1 2.78Å; R425-D471 VanDerWaalsContact NH1-OD1 3.09Å; R425-D471 IonicContact NH2-OD1 2.67Å; R425-D471 PolarHBondContact NH2-OD1 2.79Å; R425-D474 IonicContact CZ-OD2 3.74Å; R425-D474 IonicContact NH1-OD2 3.64Å; R425-D474 PolarHBondContact NH1-OD2 3.13Å; R425-D474 IonicContact NH2-OD2 2.62Å; R425-D474 PolarHBondContact NH2-OD2 3.23Å
426	L	94.9	Very high	95.1	Very high	31 Å²	31	70.9 Å²	70.9	16%	0.162	39%	0.387	C	S	.	.	H	α-helix	trans	-55.6	-44.6	173.8	-73.3	171.5	0	0	0	111.8	L412 I415 S416 D422 D424 S430	L412-L426 HydrophobicContact CB-CD2 4.15Å; L412-L426 HydrophobicContact CD2-CB 4.38Å; L412-L426 HydrophobicContact CD2-CD2 3.89Å; L412-L426 VanDerWaalsContact CD2-O 3.29Å; L412-L426 WeakPolarHBondContact CD2-O 3.37Å; L412-L426 WeakPolarHBondContact O-CD2 3.44Å; I415-L426 HydrophobicContact CB-CD2 3.64Å; I415-L426 HydrophobicContact CG2-CD2 3.46Å; I415-L426 VanDerWaalsContact CG2-CD2 3.46Å; I415-L426 HydrophobicContact CG2-CG 4.14Å; S416-L426 WeakPolarHBondContact OG-CD1 3.32Å; S416-L426 WeakPolarHBondContact OG-CD2 3.46Å; D422-L426 PolarHBondContact O-N 2.99Å; D424-L426 VanDerWaalsContact C-N 3.33Å; D424-L426 PolarHBondContact O-N 3.47Å; L426-S430 PolarHBondContact O-N 3.06Å; L426-S430 VanDerWaalsContact O-N 3.16Å
427	R	95.6	Very high	94.9	Very high	177 Å²	177	71.9 Å²	71.9	67%	0.668	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-45.9	176.8	-176.8	-180	66.6	138.5	1.3	111.9	H423 D424 R425 M429	H423-R427 PolarHBondContact O-N 2.93Å; D424-R427 WeakPolarHBondContact O-CB 3.3Å; D424-R427 PolarHBondContact O-N 3.47Å; D424-R427 VanDerWaalsContact O-N 3.16Å; D424-R427 IonicContact OD1-CZ 3.94Å; D424-R427 VanDerWaalsContact OD1-CZ 3.24Å; D424-R427 IonicContact OD1-NE 3.9Å; D424-R427 PolarHBondContact OD1-NE 3.09Å; D424-R427 IonicContact OD1-NH2 2.79Å; D424-R427 PolarHBondContact OD1-NH2 3.42Å; D424-R427 IonicContact OD2-NH2 3.76Å; R425-R427 VanDerWaalsContact C-N 3.27Å; R425-R427 PolarHBondContact O-N 3.26Å; R427-M429 PolarHBondContact O-N 3.49Å
428	R	95.6	Very high	95	Very high	98 Å²	98	70.1 Å²	70.1	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-68.3	-31.2	-178.2	-66.3	-170.8	-46	-95.4	-1.6	113.3	D424 R425 H444 D471	D424-R428 VanDerWaalsContact CG-NH1 3.34Å; D424-R428 WeakPolarHBondContact O-CG 3.48Å; D424-R428 PolarHBondContact O-N 2.96Å; D424-R428 IonicContact OD2-CZ 3.36Å; D424-R428 IonicContact OD2-NH1 3.16Å; D424-R428 PolarHBondContact OD2-NH1 3.37Å; R425-R428 PolarHBondContact O-N 3.05Å; R428-H444 PolarHBondContact O-CE1 3.36Å; R428-H444 VanDerWaalsContact O-CE1 3.23Å; R428-D471 IonicContact CZ-OD2 3.69Å; R428-D471 VanDerWaalsContact CZ-OD2 3.26Å; R428-D471 IonicContact NE-OD2 3.04Å; R428-D471 PolarHBondContact NE-OD2 2.62Å; R428-D471 IonicContact NH2-OD1 3.37Å; R428-D471 PolarHBondContact NH2-OD1 2.7Å; R428-D471 IonicContact NH2-OD2 2.69Å; R428-D471 PolarHBondContact NH2-OD2 3.17Å
429	M	97.3	Very high	95.1	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-93.6	-4.7	-178.8	-63.3	-176.4	76	0	0	114.2	I415 R425 R427 D471 F472 L475	I415-M429 HydrophobicContact CD1-CB 3.62Å; I415-M429 HydrophobicContact CD1-CE 3.99Å; I415-M429 HydrophobicContact CD1-CG 4.34Å; I415-M429 HydrophobicContact CD1-SD 3.8Å; I415-M429 HydrophobicContact CG1-CE 4.31Å; I415-M429 HydrophobicContact CG1-SD 4.16Å; I415-M429 HydrophobicContact CG2-SD 4.43Å; R425-M429 HydrophobicContact CG-CG 4.08Å; R425-M429 HydrophobicContact CG-SD 3.51Å; R425-M429 VanDerWaalsContact CG-SD 3.51Å; R425-M429 WeakPolarHBondContact O-CB 3.4Å; R425-M429 WeakPolarHBondContact O-CG 3.47Å; R425-M429 PolarHBondContact O-N 3.23Å; R427-M429 PolarHBondContact O-N 3.49Å; M429-D471 HydrophobicContact CE-CB 4.39Å; M429-D471 WeakPolarHBondContact CE-O 3.27Å; M429-D471 HydrophobicContact CG-CB 3.65Å; M429-D471 HydrophobicContact SD-CB 3.73Å; M429-F472 HydrophobicContact CB-CE1 4.38Å; M429-F472 HydrophobicContact CB-CZ 4.11Å; M429-F472 HydrophobicContact CE-CB 4.44Å; M429-F472 HydrophobicContact CE-CD1 3.6Å; M429-F472 HydrophobicContact CE-CE1 3.89Å; M429-F472 HydrophobicContact CE-CG 3.96Å; M429-F472 HydrophobicContact CE-CZ 4.47Å; M429-F472 HydrophobicContact CG-CZ 4.43Å; M429-L475 HydrophobicContact CE-CB 4.2Å; M429-L475 HydrophobicContact CE-CD2 3.82Å
430	S	98.1	Very high	95.3	Very high	12 Å²	12	67.5 Å²	67.5	8%	0.084	36%	0.357	C	S	.	.			trans	-59.6	140.7	176.3	-179.1	0	0	0	0	111.2	N408 L426 I432 H444	N408-S430 PolarHBondContact ND2-OG 2.92Å; N408-S430 PolarHBondContact OD1-OG 2.92Å; L426-S430 PolarHBondContact O-N 3.06Å; L426-S430 VanDerWaalsContact O-N 3.16Å; S430-I432 WeakPolarHBondContact CB-O 3.38Å; S430-I432 PolarHBondContact O-N 3.41Å; S430-I432 PolarHBondContact OG-N 2.92Å; S430-I432 PolarHBondContact OG-O 3.41Å; S430-H444 PolarHBondContact O-ND1 2.93Å
431	L	98.1	Very high	95.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-70.4	-20.5	167.9	-80.1	63	0	0	0	111.2	I404 I407 N408 I440 N441 H444 L445 V448	I404-L431 HydrophobicContact CG2-CD2 4.46Å; I407-L431 HydrophobicContact CG2-CD2 3.83Å; N408-L431 HydrophobicContact CB-CB 4.17Å; N408-L431 PolarHBondContact OD1-N 2.95Å; L431-I440 CarbonylContact O-C 3.6Å; L431-I440 WeakPolarHBondContact O-CA 3.43Å; L431-N441 PolarHBondContact O-N 3.32Å; L431-H444 HydrophobicContact CD1-CB 4.24Å; L431-H444 HydrophobicContact CG-CB 4.19Å; L431-L445 HydrophobicContact CD2-CB 4.02Å; L431-L445 HydrophobicContact CD2-CD1 3.71Å; L431-L445 HydrophobicContact CD2-CG 4.48Å; L431-L445 HydrophobicContact CG-CB 4.38Å; L431-V448 HydrophobicContact CD1-CB 4.48Å; L431-V448 HydrophobicContact CD1-CG2 3.97Å
432	I	98.1	Very high	95.7	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.6	-178.6	-51.1	-61.1	0	0	0	108.8	I404 Y405 N408 S430 K439 I440	I404-I432 HydrophobicContact CG2-CD1 4.18Å; Y405-I432 HydrophobicContact CD1-CD1 3.98Å; Y405-I432 HydrophobicContact CD1-CG1 3.9Å; Y405-I432 HydrophobicContact CE1-CD1 3.68Å; Y405-I432 HydrophobicContact CE1-CG1 3.73Å; Y405-I432 HydrophobicContact CE1-CG2 4.37Å; N408-I432 HydrophobicContact CB-CG1 4.48Å; S430-I432 WeakPolarHBondContact CB-O 3.38Å; S430-I432 PolarHBondContact O-N 3.41Å; S430-I432 PolarHBondContact OG-N 2.92Å; S430-I432 PolarHBondContact OG-O 3.41Å; I432-K439 CarbonylContact C-O 3.51Å; I432-K439 WeakPolarHBondContact CA-O 3.5Å; I432-I440 HydrophobicContact CD1-CG1 4.01Å
433	E	96.2	Very high	95.8	Very high	40 Å²	40	57.1 Å²	57.1	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.1	175.1	-63.2	-178.8	179.1	0	0	109.7	R387 K438 K439 N441	R387-E433 WeakPolarHBondContact CD-OE2 3.5Å; R387-E433 IonicContact CZ-OE1 3.74Å; R387-E433 IonicContact CZ-OE2 2.81Å; R387-E433 IonicContact NE-OE1 3.87Å; R387-E433 PolarHBondContact NE-OE1 3.04Å; R387-E433 IonicContact NE-OE2 3.87Å; R387-E433 IonicContact NH1-OE1 2.63Å; R387-E433 PolarHBondContact NH1-OE1 2.91Å; R387-E433 IonicContact NH1-OE2 3.71Å; R387-E433 PolarHBondContact NH1-OE2 3.3Å; R387-E433 IonicContact NH2-OE1 3.06Å; E433-K438 WeakPolarHBondContact O-CA 3.31Å; E433-K439 HydrophobicContact CB-CB 4.42Å; E433-K439 PolarHBondContact N-O 2.94Å; E433-K439 PolarHBondContact O-N 2.8Å; E433-N441 HydrophobicContact CG-CB 4.3Å; E433-N441 PolarHBondContact OE1-ND2 3.11Å
434	E	95.1	Very high	96	Very high	133 Å²	133	51.3 Å²	51.3	62%	0.621	25%	0.254	S	S	*	.			trans	-80	150.8	172.7	-58.6	-60.2	160	0	0	110.8	K438	E434-K438 VanDerWaalsContact OE1-CE 3.23Å; E434-K438 WeakPolarHBondContact OE1-CE 3.45Å; E434-K438 IonicContact OE1-NZ 3.43Å; E434-K438 PolarHBondContact OE1-NZ 3.25Å; E434-K438 WeakPolarHBondContact OE2-CD 3.37Å; E434-K438 WeakPolarHBondContact OE2-CE 3.42Å; E434-K438 IonicContact OE2-NZ 3.23Å; E434-K438 PolarHBondContact OE2-NZ 3.48Å
435	G	91.9	Very high	96.1	Very high	54 Å²	54	48.1 Å²	48.1	56%	0.557	24%	0.237	S	C	*	.	S	Bend	trans	164.4	-166.1	-179.9	0	0	0	0	0	111	V437	G435-V437 PolarHBondContact O-N 3.22Å
436	N	89.4	Confident	96.3	Very high	180 Å²	180	46.8 Å²	46.8	96%	0.963	23%	0.232	S	C	*	.	S	Bend	trans	-57.1	-36.1	177.2	-67.3	-11	0	0	0	112.4
437	V	93.1	Very high	96.5	Very high	73 Å²	73	45.5 Å²	45.5	44%	0.442	23%	0.225	S	C	.	.	S	Bend	trans	-127.9	123	170.7	178.9	0	0	0	0	106.6	P389 G435	P389-V437 HydrophobicContact CB-CG1 4.05Å; G435-V437 PolarHBondContact O-N 3.22Å
438	K	96.7	Very high	96.6	Very high	75 Å²	75	37.7 Å²	37.7	33%	0.326	20%	0.197	S	C	.	.			trans	-65.4	139	176.1	-62	-171.2	67.1	149.1	0	110.1	P389 V390 E433 E434	P389-K438 WeakPolarHBondContact CA-O 3.46Å; V390-K438 HydrophobicContact CB-CB 4.03Å; V390-K438 HydrophobicContact CG2-CB 3.66Å; V390-K438 PolarHBondContact N-O 3.45Å; E433-K438 WeakPolarHBondContact O-CA 3.31Å; E434-K438 VanDerWaalsContact OE1-CE 3.23Å; E434-K438 WeakPolarHBondContact OE1-CE 3.45Å; E434-K438 IonicContact OE1-NZ 3.43Å; E434-K438 PolarHBondContact OE1-NZ 3.25Å; E434-K438 WeakPolarHBondContact OE2-CD 3.37Å; E434-K438 WeakPolarHBondContact OE2-CE 3.42Å; E434-K438 IonicContact OE2-NZ 3.23Å; E434-K438 PolarHBondContact OE2-NZ 3.48Å
439	K	96.8	Very high	96.8	Very high	81 Å²	81	33 Å²	33	35%	0.352	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.5	-179.9	-61	178	-171.1	175.1	0	111.8	R387 W388 I432 E433	R387-K439 HydrophobicContact CB-CB 4.24Å; R387-K439 HydrophobicContact CB-CD 3.92Å; W388-K439 CarbonylContact O-C 3.59Å; W388-K439 WeakPolarHBondContact O-CA 3.46Å; I432-K439 CarbonylContact C-O 3.51Å; I432-K439 WeakPolarHBondContact CA-O 3.5Å; E433-K439 HydrophobicContact CB-CB 4.42Å; E433-K439 PolarHBondContact N-O 2.94Å; E433-K439 PolarHBondContact O-N 2.8Å
440	I	98.1	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.5	171.5	-51.2	176.9	0	0	0	107.7	R387 W388 V390 F393 L401 I404 L431 I432 M442	R387-I440 WeakPolarHBondContact CA-O 3.49Å; W388-I440 PolarHBondContact N-O 3.3Å; W388-I440 VanDerWaalsContact N-O 3.09Å; W388-I440 PolarHBondContact O-N 3.31Å; V390-I440 HydrophobicContact CG2-CG1 3.98Å; F393-I440 HydrophobicContact CB-CD1 3.99Å; F393-I440 HydrophobicContact CD1-CD1 3.63Å; F393-I440 HydrophobicContact CD2-CD1 3.78Å; F393-I440 HydrophobicContact CE1-CD1 3.97Å; F393-I440 HydrophobicContact CE2-CD1 4.14Å; F393-I440 HydrophobicContact CG-CD1 3.51Å; F393-I440 HydrophobicContact CZ-CD1 4.2Å; L401-I440 HydrophobicContact CD1-CD1 3.82Å; I404-I440 HydrophobicContact CD1-CD1 4.16Å; I404-I440 HydrophobicContact CG2-CG2 4.02Å; L431-I440 CarbonylContact O-C 3.6Å; L431-I440 WeakPolarHBondContact O-CA 3.43Å; I432-I440 HydrophobicContact CD1-CG1 4.01Å; I440-M442 HydrophobicContact CB-SD 4.21Å; I440-M442 HydrophobicContact CG2-SD 3.73Å; I440-M442 PolarHBondContact O-N 3.06Å
441	N	97.4	Very high	96.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.3	174.9	-174.4	-46.1	0	0	0	109.7	L431 E433 A443 H444 L445	L431-N441 PolarHBondContact O-N 3.32Å; E433-N441 HydrophobicContact CG-CB 4.3Å; E433-N441 PolarHBondContact OE1-ND2 3.11Å; N441-A443 VanDerWaalsContact C-N 3.33Å; N441-A443 PolarHBondContact O-N 3.01Å; N441-A443 WeakPolarHBondContact OD1-CB 3.38Å; N441-A443 PolarHBondContact OD1-N 3.19Å; N441-A443 VanDerWaalsContact OD1-N 3.16Å; N441-H444 HydrophobicContact CB-CB 4.18Å; N441-H444 PolarHBondContact ND2-NE2 3.32Å; N441-H444 PolarHBondContact O-N 3.02Å; N441-H444 PolarHBondContact OD1-CD2 2.72Å; N441-H444 PolarHBondContact OD1-N 3.36Å; N441-L445 PolarHBondContact O-N 3.1Å
442	M	98	Very high	96.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-26.8	-173.2	-55.6	-51.4	-71.7	0	0	112.7	T341 A344 L345 E386 F393 I440 L445 C446	T341-M442 HydrophobicContact CG2-CB 4.23Å; A344-M442 HydrophobicContact CB-CB 4.21Å; A344-M442 HydrophobicContact CB-CE 3.72Å; L345-M442 HydrophobicContact CD2-CE 4.26Å; L345-M442 HydrophobicContact CG-CE 4.37Å; E386-M442 HydrophobicContact CB-CB 4.17Å; E386-M442 HydrophobicContact CB-CG 4Å; E386-M442 WeakPolarHBondContact O-CG 3.42Å; E386-M442 PolarHBondContact O-N 3.16Å; E386-M442 VanDerWaalsContact O-N 3.11Å; F393-M442 HydrophobicContact CZ-CE 4.15Å; F393-M442 HydrophobicContact CZ-SD 4.26Å; I440-M442 HydrophobicContact CB-SD 4.21Å; I440-M442 HydrophobicContact CG2-SD 3.73Å; I440-M442 PolarHBondContact O-N 3.06Å; M442-L445 HydrophobicContact CE-CD2 3.82Å; M442-L445 PolarHBondContact O-N 3.28Å; M442-C446 PolarHBondContact O-N 3.48Å; M442-C446 PolarHBondContact O-SG 2.81Å
443	A	96.9	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-42.9	174.8	0	0	0	0	0	111	T341 L385 N441 L445 C446 I447 F469	T341-A443 HydrophobicContact CG2-CB 3.98Å; L385-A443 HydrophobicContact CD2-CB 4.23Å; N441-A443 VanDerWaalsContact C-N 3.33Å; N441-A443 PolarHBondContact O-N 3.01Å; N441-A443 WeakPolarHBondContact OD1-CB 3.38Å; N441-A443 PolarHBondContact OD1-N 3.19Å; N441-A443 VanDerWaalsContact OD1-N 3.16Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.37Å; A443-C446 WeakPolarHBondContact O-CB 3.45Å; A443-C446 PolarHBondContact O-N 3.02Å; A443-I447 VanDerWaalsContact O-CG1 3.28Å; A443-I447 WeakPolarHBondContact O-CG1 3.49Å; A443-I447 PolarHBondContact O-N 2.89Å; A443-F469 HydrophobicContact CB-CE1 4.12Å; A443-F469 HydrophobicContact CB-CZ 4.05Å
444	H	98.3	Very high	97	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.093	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-43.2	174.8	-65.5	-174.8	0	0	0	111.1	R428 S430 L431 N441 C446 I447 V448 F472	R428-H444 PolarHBondContact O-CE1 3.36Å; R428-H444 VanDerWaalsContact O-CE1 3.23Å; S430-H444 PolarHBondContact O-ND1 2.93Å; L431-H444 HydrophobicContact CD1-CB 4.24Å; L431-H444 HydrophobicContact CG-CB 4.19Å; N441-H444 HydrophobicContact CB-CB 4.18Å; N441-H444 PolarHBondContact ND2-NE2 3.32Å; N441-H444 PolarHBondContact O-N 3.02Å; N441-H444 PolarHBondContact OD1-CD2 2.72Å; N441-H444 PolarHBondContact OD1-N 3.36Å; H444-C446 VanDerWaalsContact C-N 3.32Å; H444-C446 PolarHBondContact O-N 3.34Å; H444-I447 PolarHBondContact O-N 3.42Å; H444-V448 WeakPolarHBondContact O-CB 3.36Å; H444-V448 WeakPolarHBondContact O-CG2 3.39Å; H444-V448 PolarHBondContact O-N 2.83Å; H444-F472 HydrophobicContact CB-CZ 3.9Å; H444-F472 AromaticContact CD2-CE2 3.53Å; H444-F472 AromaticContact CD2-CZ 3.77Å; H444-F472 AromaticContact CG-CE2 3.86Å; H444-F472 AromaticContact CG-CZ 3.59Å; H444-F472 AromaticContact ND1-CZ 3.91Å; H444-F472 AromaticContact NE2-CE2 3.7Å
445	L	98.7	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-45.6	174.2	175.6	63.5	0	0	0	111.6	I347 P348 I404 I407 L431 N441 M442 A443 V448 G449	I347-L445 HydrophobicContact CD1-CG 4.44Å; I347-L445 HydrophobicContact CG2-CD1 4.09Å; P348-L445 HydrophobicContact CG-CD2 4.37Å; I404-L445 HydrophobicContact CD1-CD2 4.35Å; I404-L445 HydrophobicContact CG1-CD2 4.35Å; I407-L445 HydrophobicContact CD1-CD1 4.19Å; I407-L445 HydrophobicContact CG2-CD1 4.5Å; L431-L445 HydrophobicContact CD2-CB 4.02Å; L431-L445 HydrophobicContact CD2-CD1 3.71Å; L431-L445 HydrophobicContact CD2-CG 4.48Å; L431-L445 HydrophobicContact CG-CB 4.38Å; N441-L445 PolarHBondContact O-N 3.1Å; M442-L445 HydrophobicContact CE-CD2 3.82Å; M442-L445 PolarHBondContact O-N 3.28Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.37Å; L445-V448 PolarHBondContact O-N 3.18Å; L445-G449 PolarHBondContact O-N 3.32Å
446	C	98.6	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-46	178.2	-71	0	0	0	0	112.7	A344 Y375 M442 A443 H444 V448 G449 S450	A344-C446 WeakPolarHBondContact CB-SG 3.44Å; Y375-C446 HydrophobicContact CD1-CB 3.65Å; Y375-C446 HydrophobicContact CD2-CB 3.74Å; Y375-C446 HydrophobicContact CE1-CB 4.06Å; Y375-C446 HydrophobicContact CE2-CB 4.14Å; Y375-C446 HydrophobicContact CG-CB 3.5Å; M442-C446 PolarHBondContact O-N 3.48Å; M442-C446 PolarHBondContact O-SG 2.81Å; A443-C446 WeakPolarHBondContact O-CB 3.45Å; A443-C446 PolarHBondContact O-N 3.02Å; H444-C446 VanDerWaalsContact C-N 3.32Å; H444-C446 PolarHBondContact O-N 3.34Å; C446-V448 VanDerWaalsContact C-N 3.35Å; C446-V448 PolarHBondContact O-N 3.3Å; C446-G449 PolarHBondContact O-N 3.27Å; C446-S450 WeakPolarHBondContact O-CB 3.35Å; C446-S450 PolarHBondContact O-N 2.87Å; C446-S450 PolarHBondContact O-OG 3.34Å
447	I	98.4	Very high	97.6	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-43.7	-179.6	-66.2	162.5	0	0	0	110.7	Y375 A443 H444 V453 F469 F472 K479 F480	Y375-I447 HydrophobicContact CD1-CG1 4.18Å; Y375-I447 HydrophobicContact CE1-CG1 4.21Å; A443-I447 VanDerWaalsContact O-CG1 3.28Å; A443-I447 WeakPolarHBondContact O-CG1 3.49Å; A443-I447 PolarHBondContact O-N 2.89Å; H444-I447 PolarHBondContact O-N 3.42Å; I447-V453 HydrophobicContact CB-CG2 4.31Å; I447-V453 HydrophobicContact CG1-CG1 4.39Å; I447-V453 HydrophobicContact CG1-CG2 4.08Å; I447-V453 HydrophobicContact CG2-CG2 4.28Å; I447-F469 HydrophobicContact CD1-CB 4.19Å; I447-F469 HydrophobicContact CD1-CD1 3.45Å; I447-F469 VanDerWaalsContact CD1-CD1 3.45Å; I447-F469 HydrophobicContact CD1-CD2 3.9Å; I447-F469 HydrophobicContact CD1-CE1 3.7Å; I447-F469 HydrophobicContact CD1-CE2 4.14Å; I447-F469 HydrophobicContact CD1-CG 3.58Å; I447-F469 HydrophobicContact CD1-CZ 4.05Å; I447-F472 HydrophobicContact CB-CD1 4.41Å; I447-F472 HydrophobicContact CD1-CD2 4.2Å; I447-F472 HydrophobicContact CD1-CG 4.35Å; I447-F472 HydrophobicContact CG2-CB 3.86Å; I447-F472 HydrophobicContact CG2-CD1 3.64Å; I447-F472 HydrophobicContact CG2-CE1 4.37Å; I447-F472 HydrophobicContact CG2-CG 3.82Å; I447-K479 PolarHBondContact O-NZ 3.17Å; I447-F480 HydrophobicContact CG2-CZ 4.29Å
448	V	98.4	Very high	97.7	Very high	13 Å²	13	17 Å²	17	8%	0.079	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-43.5	-178.8	170.9	0	0	0	0	111.4	W366 I407 H411 L431 H444 L445 C446 S450 F472 K479	W366-V448 HydrophobicContact CH2-CG1 4.31Å; W366-V448 HydrophobicContact CZ2-CG1 3.9Å; I407-V448 HydrophobicContact CG2-CG1 3.92Å; H411-V448 HydrophobicContact CB-CG1 4.29Å; L431-V448 HydrophobicContact CD1-CB 4.48Å; L431-V448 HydrophobicContact CD1-CG2 3.97Å; H444-V448 WeakPolarHBondContact O-CB 3.36Å; H444-V448 WeakPolarHBondContact O-CG2 3.39Å; H444-V448 PolarHBondContact O-N 2.83Å; L445-V448 PolarHBondContact O-N 3.18Å; C446-V448 VanDerWaalsContact C-N 3.35Å; C446-V448 PolarHBondContact O-N 3.3Å; V448-S450 PolarHBondContact O-N 3.33Å; V448-F472 HydrophobicContact CG2-CE1 3.91Å; V448-K479 PolarHBondContact O-NZ 2.95Å
449	G	98.4	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	11.3	-177.6	0	0	0	0	0	116.6	W366 L445 C446	W366-G449 VanDerWaalsContact CH2-CA 3.49Å; L445-G449 PolarHBondContact O-N 3.32Å; C446-G449 PolarHBondContact O-N 3.27Å
450	S	98.7	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.			trans	-123.9	147.8	179.6	-57.5	0	0	0	0	112.4	C373 C446 V448 K479	C373-S450 VanDerWaalsContact O-CA 3.31Å; C373-S450 WeakPolarHBondContact O-CA 3.44Å; C373-S450 WeakPolarHBondContact O-CB 3.29Å; C446-S450 WeakPolarHBondContact O-CB 3.35Å; C446-S450 PolarHBondContact O-N 2.87Å; C446-S450 PolarHBondContact O-OG 3.34Å; V448-S450 PolarHBondContact O-N 3.33Å; S450-K479 WeakPolarHBondContact O-CE 3.28Å; S450-K479 PolarHBondContact O-NZ 3.03Å
451	H	98.6	Very high	97.2	Very high	62 Å²	62	11.7 Å²	11.7	29%	0.287	5%	0.052	S	C	.	.	S	Bend	trans	-81.5	-21.5	173.2	69.6	-82.5	0	0	0	113.2	I370 C373 I825	I370-H451 HydrophobicContact CG2-CB 4Å; I370-H451 VanDerWaalsContact O-CB 3.29Å; I370-H451 WeakPolarHBondContact O-CB 3.5Å; I370-H451 PolarHBondContact O-N 2.85Å; I370-H451 VanDerWaalsContact O-N 3.08Å; I370-H451 PolarHBondContact O-ND1 3.41Å; C373-H451 PolarHBondContact O-CE1 2.81Å; C373-H451 PolarHBondContact O-N 3.44Å; C373-H451 VanDerWaalsContact O-N 3.11Å; C373-H451 PolarHBondContact O-ND1 3.33Å; H451-I825 PolarHBondContact NE2-O 2.74Å
452	A	98.7	Very high	97.1	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140	178.2	0	0	0	0	0	110.9	A374 Y375 I825	A374-A452 HydrophobicContact CB-CB 4.21Å; Y375-A452 PolarHBondContact N-O 2.84Å; A452-I825 HydrophobicContact CB-CG1 4.27Å; A452-I825 HydrophobicContact CB-CG2 4.01Å
453	V	98.6	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.9	174.8	178.6	0	0	0	0	107.5	Y375 I447 K479 F480 Q481	Y375-V453 HydrophobicContact CD1-CB 4.48Å; Y375-V453 HydrophobicContact CD1-CG1 3.77Å; Y375-V453 HydrophobicContact CD1-CG2 4.18Å; Y375-V453 HydrophobicContact CE1-CG1 4.21Å; Y375-V453 CarbonylContact O-C 3.32Å; Y375-V453 VanDerWaalsContact O-CA 3.29Å; Y375-V453 WeakPolarHBondContact O-CA 3.38Å; I447-V453 HydrophobicContact CB-CG2 4.31Å; I447-V453 HydrophobicContact CG1-CG1 4.39Å; I447-V453 HydrophobicContact CG1-CG2 4.08Å; I447-V453 HydrophobicContact CG2-CG2 4.28Å; V453-K479 PolarHBondContact N-O 3.45Å; V453-K479 VanDerWaalsContact O-O 3.1Å; V453-F480 HydrophobicContact CB-CD1 4.35Å; V453-F480 HydrophobicContact CB-CE1 4.38Å; V453-F480 HydrophobicContact CG1-CD1 4.15Å; V453-F480 HydrophobicContact CG1-CE1 3.97Å; V453-F480 CarbonylContact O-C 3.15Å; V453-F480 VanDerWaalsContact O-CA 3.31Å; V453-F480 WeakPolarHBondContact O-CA 3.43Å; V453-Q481 PolarHBondContact O-N 2.93Å
454	N	98.4	Very high	96.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.2	179.2	76.4	-86.6	0	0	0	113.7	Y375 T376 N377 Q481 K483 Y821	Y375-N454 PolarHBondContact O-N 3.5Å; Y375-N454 PolarHBondContact O-OD1 2.89Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.42Å; T376-N454 PolarHBondContact OG1-OD1 3.16Å; N377-N454 PolarHBondContact N-O 3.45Å; N454-Q481 VanDerWaalsContact CA-O 3.25Å; N454-Q481 WeakPolarHBondContact CA-O 3.12Å; N454-Q481 HydrophobicContact CB-CB 4.2Å; N454-K483 HydrophobicContact CB-CG 4.23Å; N454-Y821 PolarHBondContact ND2-OH 2.89Å
455	G	97	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	175.1	162.3	0	0	0	0	0	111.8	H460 S461 Q481 K483	G455-H460 WeakPolarHBondContact CA-ND1 3.37Å; G455-S461 VanDerWaalsContact CA-OG 3.24Å; G455-S461 WeakPolarHBondContact CA-OG 3.34Å; G455-Q481 PolarHBondContact N-O 3.16Å; G455-K483 PolarHBondContact O-N 3.31Å
456	V	96.8	Very high	96.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.104	C	C	.	.	S	Bend	trans	-113.1	3.5	-170.7	-68.5	0	0	0	0	116	T376 H378 H460 K483 T484 N485 A674 S675	T376-V456 HydrophobicContact CG2-CG1 3.65Å; H378-V456 VanDerWaalsContact CE1-CG1 3.42Å; H378-V456 WeakPolarHBondContact CE1-CG1 3.29Å; H378-V456 WeakPolarHBondContact ND1-CG1 3.49Å; V456-H460 PolarHBondContact N-ND1 3.05Å; V456-K483 WeakPolarHBondContact CA-O 3.49Å; V456-T484 CarbonylContact O-C 3.52Å; V456-T484 WeakPolarHBondContact O-CA 3.48Å; V456-N485 PolarHBondContact O-N 3.13Å; V456-A674 HydrophobicContact CG2-CB 3.7Å; V456-S675 WeakPolarHBondContact O-CB 3.4Å; V456-S675 PolarHBondContact O-OG 3.27Å
457	A	95.8	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-154.9	160.4	166.6	0	0	0	0	0	107.9	I459 H460 S461 N482 A674 E699	A457-I459 PolarHBondContact O-N 3.4Å; A457-H460 HydrophobicContact CB-CB 4.29Å; A457-H460 PolarHBondContact O-N 3.02Å; A457-S461 WeakPolarHBondContact O-CB 3.42Å; A457-S461 PolarHBondContact O-N 3.01Å; A457-S461 PolarHBondContact O-OG 3.42Å; A457-N482 PolarHBondContact O-OD1 2.91Å; A457-A674 WeakPolarHBondContact CB-O 3.42Å; A457-E699 WeakPolarHBondContact CB-OE2 3.3Å
458	R	94.9	Very high	95.3	Very high	97 Å²	97	27.6 Å²	27.6	37%	0.366	14%	0.138	S	C	.	.	H	α-helix	trans	-59.3	-51.4	-177.4	-177.2	-175.7	55.2	-174.9	-11	111.8	H460 S461 E462 N482 E699 E702	R458-H460 VanDerWaalsContact C-N 3.32Å; R458-H460 PolarHBondContact O-N 3.39Å; R458-S461 PolarHBondContact O-N 2.87Å; R458-S461 VanDerWaalsContact O-N 3.15Å; R458-E462 PolarHBondContact O-N 2.86Å; R458-N482 PolarHBondContact N-OD1 2.77Å; R458-E699 PolarHBondContact N-OE2 3.32Å; R458-E702 IonicContact CZ-OE1 3.31Å; R458-E702 IonicContact CZ-OE2 2.78Å; R458-E702 VanDerWaalsContact CZ-OE2 3.29Å; R458-E702 IonicContact NH1-OE1 3.07Å; R458-E702 PolarHBondContact NH1-OE1 3.4Å; R458-E702 IonicContact NH1-OE2 3.27Å; R458-E702 PolarHBondContact NH1-OE2 3.01Å; R458-E702 IonicContact NH2-OE1 3.4Å; R458-E702 PolarHBondContact NH2-OE1 3.27Å; R458-E702 IonicContact NH2-OE2 3.09Å; R458-E702 PolarHBondContact NH2-OE2 3.46Å
459	I	92.1	Very high	95.2	Very high	40 Å²	40	27 Å²	27	21%	0.205	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-43.2	179.8	-169.6	169.5	0	0	0	111.8	A457 S461 E462 I463 G695 V698 V716	A457-I459 PolarHBondContact O-N 3.4Å; I459-S461 PolarHBondContact O-N 3.28Å; I459-E462 PolarHBondContact O-N 3.44Å; I459-I463 HydrophobicContact CG1-CD1 4.15Å; I459-I463 VanDerWaalsContact O-CG1 3.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.36Å; I459-I463 PolarHBondContact O-N 2.96Å; I459-G695 WeakPolarHBondContact CG2-O 3.4Å; I459-V698 HydrophobicContact CD1-CG2 4.3Å; I459-V716 HydrophobicContact CD1-CG2 3.86Å
460	H	93.6	Very high	95.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-43.4	176.4	173.9	-97.6	0	0	0	112.3	N377 G455 V456 A457 R458 E462 I463 I464 A674	N377-H460 PolarHBondContact O-CE1 2.85Å; N377-H460 PolarHBondContact OD1-CE1 3.29Å; N377-H460 PolarHBondContact OD1-NE2 3.45Å; G455-H460 WeakPolarHBondContact CA-ND1 3.37Å; V456-H460 PolarHBondContact N-ND1 3.05Å; A457-H460 HydrophobicContact CB-CB 4.29Å; A457-H460 PolarHBondContact O-N 3.02Å; R458-H460 VanDerWaalsContact C-N 3.32Å; R458-H460 PolarHBondContact O-N 3.39Å; H460-E462 VanDerWaalsContact C-N 3.29Å; H460-E462 PolarHBondContact O-N 3.38Å; H460-I463 PolarHBondContact O-N 3.22Å; H460-I464 PolarHBondContact O-N 3.38Å; H460-A674 HydrophobicContact CB-CB 4.45Å; H460-A674 WeakPolarHBondContact CB-O 3.06Å; H460-A674 WeakPolarHBondContact CD2-CB 3.42Å
461	S	95.2	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-36.1	176.9	-60.5	0	0	0	0	112	G455 A457 R458 I459 I464 K465 N482	G455-S461 VanDerWaalsContact CA-OG 3.24Å; G455-S461 WeakPolarHBondContact CA-OG 3.34Å; A457-S461 WeakPolarHBondContact O-CB 3.42Å; A457-S461 PolarHBondContact O-N 3.01Å; A457-S461 PolarHBondContact O-OG 3.42Å; R458-S461 PolarHBondContact O-N 2.87Å; R458-S461 VanDerWaalsContact O-N 3.15Å; I459-S461 PolarHBondContact O-N 3.28Å; S461-I464 WeakPolarHBondContact O-CG1 3.32Å; S461-K465 WeakPolarHBondContact O-CE 3.42Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 3.24Å; S461-N482 WeakPolarHBondContact OG-CA 3.38Å; S461-N482 WeakPolarHBondContact OG-CB 3.34Å; S461-N482 PolarHBondContact OG-OD1 3.09Å
462	E	94.6	Very high	95	Very high	79 Å²	79	30 Å²	30	37%	0.369	15%	0.148	S	C	.	.	H	α-helix	trans	-70.1	-40	171.9	-63.1	-44.6	131.3	0	0	112.4	R458 I459 H460 I464 K465 N466	R458-E462 PolarHBondContact O-N 2.86Å; I459-E462 PolarHBondContact O-N 3.44Å; H460-E462 VanDerWaalsContact C-N 3.29Å; H460-E462 PolarHBondContact O-N 3.38Å; E462-I464 PolarHBondContact O-N 2.82Å; E462-K465 PolarHBondContact O-N 2.97Å; E462-K465 IonicContact OE1-NZ 3.07Å; E462-K465 PolarHBondContact OE1-NZ 3.48Å; E462-K465 IonicContact OE2-NZ 3.41Å; E462-K465 PolarHBondContact OE2-NZ 2.87Å; E462-N466 WeakPolarHBondContact O-CB 3.48Å; E462-N466 PolarHBondContact O-N 2.99Å; E462-N466 PolarHBondContact O-ND2 2.9Å; E462-N466 VanDerWaalsContact O-ND2 3.12Å
463	I	91.8	Very high	94.9	Very high	30 Å²	30	33.8 Å²	33.8	15%	0.154	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-50.2	176.3	-69.4	165.4	0	0	0	110.3	V380 I459 H460 K465 N466 T467	V380-I463 HydrophobicContact CB-CG2 4.46Å; V380-I463 HydrophobicContact CG1-CB 4.48Å; V380-I463 HydrophobicContact CG1-CG2 3.74Å; I459-I463 HydrophobicContact CG1-CD1 4.15Å; I459-I463 VanDerWaalsContact O-CG1 3.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.36Å; I459-I463 PolarHBondContact O-N 2.96Å; H460-I463 PolarHBondContact O-N 3.22Å; I463-K465 PolarHBondContact O-N 3.47Å; I463-N466 PolarHBondContact O-N 2.76Å; I463-T467 WeakPolarHBondContact CG2-OG1 3.45Å; I463-T467 PolarHBondContact O-N 2.83Å; I463-T467 PolarHBondContact O-OG1 3.18Å
464	I	93.5	Very high	94.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-32.1	-179.3	65	174.6	0	0	0	112.5	V380 H460 S461 E462 F469 F480	V380-I464 HydrophobicContact CG1-CG2 4.06Å; H460-I464 PolarHBondContact O-N 3.38Å; S461-I464 WeakPolarHBondContact O-CG1 3.32Å; E462-I464 PolarHBondContact O-N 2.82Å; I464-F469 HydrophobicContact CB-CD2 3.86Å; I464-F469 HydrophobicContact CB-CE2 4.33Å; I464-F469 HydrophobicContact CG2-CD2 4.37Å; I464-F469 HydrophobicContact CG2-CE2 4.35Å; I464-F469 CarbonylContact O-C 3.44Å; I464-F469 WeakPolarHBondContact O-CA 3.33Å; I464-F469 WeakPolarHBondContact O-CB 3.19Å; I464-F469 PolarHBondContact O-N 3.45Å; I464-F480 HydrophobicContact CD1-CD1 4.45Å
465	K	95.1	Very high	94.7	Very high	27 Å²	27	37.3 Å²	37.3	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-73.5	-36	176.4	-78.3	-177.1	-88.9	156.5	0	112.7	S461 E462 I463 K470 Y473 F480	S461-K465 WeakPolarHBondContact O-CE 3.42Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 3.24Å; E462-K465 PolarHBondContact O-N 2.97Å; E462-K465 IonicContact OE1-NZ 3.07Å; E462-K465 PolarHBondContact OE1-NZ 3.48Å; E462-K465 IonicContact OE2-NZ 3.41Å; E462-K465 PolarHBondContact OE2-NZ 2.87Å; I463-K465 PolarHBondContact O-N 3.47Å; K465-K470 VanDerWaalsContact O-CA 3.31Å; K465-K470 WeakPolarHBondContact O-CA 3.44Å; K465-Y473 HydrophobicContact CB-CD1 4.4Å; K465-Y473 HydrophobicContact CB-CD2 4.37Å; K465-Y473 HydrophobicContact CB-CG 4.21Å; K465-Y473 HydrophobicContact CD-CD2 3.85Å; K465-Y473 HydrophobicContact CD-CE2 3.62Å; K465-Y473 HydrophobicContact CG-CD2 3.76Å; K465-Y473 HydrophobicContact CG-CE2 4.07Å; K465-Y473 HydrophobicContact CG-CG 4.07Å; K465-F480 HydrophobicContact CD-CB 3.92Å; K465-F480 HydrophobicContact CG-CB 3.91Å; K465-F480 HydrophobicContact CG-CD1 4.02Å; K465-F480 HydrophobicContact CG-CG 4.14Å
466	N	93	Very high	94.7	Very high	101 Å²	101	38 Å²	38	54%	0.54	19%	0.186	S	C	.	.	H	α-helix	trans	-92.7	-22.3	-174.4	-67.2	-35.1	0	0	0	113.8	E462 I463	E462-N466 WeakPolarHBondContact O-CB 3.48Å; E462-N466 PolarHBondContact O-N 2.99Å; E462-N466 PolarHBondContact O-ND2 2.9Å; E462-N466 VanDerWaalsContact O-ND2 3.12Å; I463-N466 PolarHBondContact O-N 2.76Å
467	T	89.7	Confident	94.7	Very high	74 Å²	74	40.9 Å²	40.9	45%	0.454	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-81.8	-175.3	66.5	0	0	0	0	112.1	I463 F469 K470	I463-T467 WeakPolarHBondContact CG2-OG1 3.45Å; I463-T467 PolarHBondContact O-N 2.83Å; I463-T467 PolarHBondContact O-OG1 3.18Å; T467-F469 PolarHBondContact O-N 3.11Å; T467-K470 PolarHBondContact O-N 2.97Å
468	V	88.3	Confident	94.8	Very high	49 Å²	49	46.9 Å²	46.9	30%	0.297	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-43.1	-164.5	-171.9	0	0	0	0	112.7	V380 L385	V380-V468 HydrophobicContact CB-CG2 4.34Å; V380-V468 HydrophobicContact CG1-CG2 4.44Å; L385-V468 HydrophobicContact CD1-CG1 4.3Å
469	F	95.4	Very high	94.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	25.2	-177.4	-53.5	-45.2	0	0	0	112.5	N377 A443 I447 I464 T467 D471 F472 Y473 F480	N377-F469 HydrophobicContact CB-CE2 4.42Å; A443-F469 HydrophobicContact CB-CE1 4.12Å; A443-F469 HydrophobicContact CB-CZ 4.05Å; I447-F469 HydrophobicContact CD1-CB 4.19Å; I447-F469 HydrophobicContact CD1-CD1 3.45Å; I447-F469 VanDerWaalsContact CD1-CD1 3.45Å; I447-F469 HydrophobicContact CD1-CD2 3.9Å; I447-F469 HydrophobicContact CD1-CE1 3.7Å; I447-F469 HydrophobicContact CD1-CE2 4.14Å; I447-F469 HydrophobicContact CD1-CG 3.58Å; I447-F469 HydrophobicContact CD1-CZ 4.05Å; I464-F469 HydrophobicContact CB-CD2 3.86Å; I464-F469 HydrophobicContact CB-CE2 4.33Å; I464-F469 HydrophobicContact CG2-CD2 4.37Å; I464-F469 HydrophobicContact CG2-CE2 4.35Å; I464-F469 CarbonylContact O-C 3.44Å; I464-F469 WeakPolarHBondContact O-CA 3.33Å; I464-F469 WeakPolarHBondContact O-CB 3.19Å; I464-F469 PolarHBondContact O-N 3.45Å; T467-F469 PolarHBondContact O-N 3.11Å; F469-D471 VanDerWaalsContact C-N 3.3Å; F469-D471 PolarHBondContact O-N 2.77Å; F469-F472 HydrophobicContact CB-CB 4.46Å; F469-F472 HydrophobicContact CB-CD2 4.34Å; F469-F472 HydrophobicContact CD1-CD2 4.48Å; F469-F472 WeakPolarHBondContact O-CB 3.5Å; F469-F472 PolarHBondContact O-N 3.33Å; F469-Y473 PolarHBondContact O-N 2.88Å; F469-F480 HydrophobicContact CB-CE1 3.78Å; F469-F480 HydrophobicContact CB-CZ 3.89Å; F469-F480 HydrophobicContact CD2-CE1 4.18Å; F469-F480 HydrophobicContact CG-CE1 4.41Å
470	K	96.6	Very high	95.2	Very high	89 Å²	89	42 Å²	42	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-52	-47.7	-176.9	-170.7	-161.3	173.9	-55.4	0	112.6	K465 T467 F472 Y473 D474	K465-K470 VanDerWaalsContact O-CA 3.31Å; K465-K470 WeakPolarHBondContact O-CA 3.44Å; T467-K470 PolarHBondContact O-N 2.97Å; K470-F472 VanDerWaalsContact C-N 3.26Å; K470-F472 PolarHBondContact O-N 3.06Å; K470-Y473 PolarHBondContact O-N 2.81Å; K470-Y473 VanDerWaalsContact O-N 3.15Å; K470-D474 IonicContact NZ-OD1 3.99Å; K470-D474 PolarHBondContact NZ-OD1 3.38Å; K470-D474 IonicContact NZ-OD2 3.06Å; K470-D474 PolarHBondContact NZ-OD2 2.54Å; K470-D474 VanDerWaalsContact O-CG 3.29Å; K470-D474 PolarHBondContact O-N 2.76Å
471	D	97.2	Very high	95.4	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-30.5	-177.9	-71.2	-29.5	0	0	0	112.7	R425 R428 M429 F469 L475	R425-D471 IonicContact CZ-OD1 3.24Å; R425-D471 VanDerWaalsContact CZ-OD1 3.31Å; R425-D471 IonicContact NH1-OD1 2.89Å; R425-D471 PolarHBondContact NH1-OD1 2.78Å; R425-D471 VanDerWaalsContact NH1-OD1 3.09Å; R425-D471 IonicContact NH2-OD1 2.67Å; R425-D471 PolarHBondContact NH2-OD1 2.79Å; R428-D471 IonicContact CZ-OD2 3.69Å; R428-D471 VanDerWaalsContact CZ-OD2 3.26Å; R428-D471 IonicContact NE-OD2 3.04Å; R428-D471 PolarHBondContact NE-OD2 2.62Å; R428-D471 IonicContact NH2-OD1 3.37Å; R428-D471 PolarHBondContact NH2-OD1 2.7Å; R428-D471 IonicContact NH2-OD2 2.69Å; R428-D471 PolarHBondContact NH2-OD2 3.17Å; M429-D471 HydrophobicContact CE-CB 4.39Å; M429-D471 WeakPolarHBondContact CE-O 3.27Å; M429-D471 HydrophobicContact CG-CB 3.65Å; M429-D471 HydrophobicContact SD-CB 3.73Å; F469-D471 VanDerWaalsContact C-N 3.3Å; F469-D471 PolarHBondContact O-N 2.77Å; D471-L475 PolarHBondContact O-N 3.07Å
472	F	97.9	Very high	95.6	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.044	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-36.6	173.8	-67.3	-83.1	0	0	0	112.2	H411 M429 H444 I447 V448 F469 K470 L475 D476 F480	H411-F472 AromaticContact NE2-CE1 3.62Å; M429-F472 HydrophobicContact CB-CE1 4.38Å; M429-F472 HydrophobicContact CB-CZ 4.11Å; M429-F472 HydrophobicContact CE-CB 4.44Å; M429-F472 HydrophobicContact CE-CD1 3.6Å; M429-F472 HydrophobicContact CE-CE1 3.89Å; M429-F472 HydrophobicContact CE-CG 3.96Å; M429-F472 HydrophobicContact CE-CZ 4.47Å; M429-F472 HydrophobicContact CG-CZ 4.43Å; H444-F472 HydrophobicContact CB-CZ 3.9Å; H444-F472 AromaticContact CD2-CE2 3.53Å; H444-F472 AromaticContact CD2-CZ 3.77Å; H444-F472 AromaticContact CG-CE2 3.86Å; H444-F472 AromaticContact CG-CZ 3.59Å; H444-F472 AromaticContact ND1-CZ 3.91Å; H444-F472 AromaticContact NE2-CE2 3.7Å; I447-F472 HydrophobicContact CB-CD1 4.41Å; I447-F472 HydrophobicContact CD1-CD2 4.2Å; I447-F472 HydrophobicContact CD1-CG 4.35Å; I447-F472 HydrophobicContact CG2-CB 3.86Å; I447-F472 HydrophobicContact CG2-CD1 3.64Å; I447-F472 HydrophobicContact CG2-CE1 4.37Å; I447-F472 HydrophobicContact CG2-CG 3.82Å; V448-F472 HydrophobicContact CG2-CE1 3.91Å; F469-F472 HydrophobicContact CB-CB 4.46Å; F469-F472 HydrophobicContact CB-CD2 4.34Å; F469-F472 HydrophobicContact CD1-CD2 4.48Å; F469-F472 WeakPolarHBondContact O-CB 3.5Å; F469-F472 PolarHBondContact O-N 3.33Å; K470-F472 VanDerWaalsContact C-N 3.26Å; K470-F472 PolarHBondContact O-N 3.06Å; F472-L475 PolarHBondContact O-N 3.38Å; F472-D476 PolarHBondContact O-N 2.89Å; F472-F480 HydrophobicContact CB-CE2 4.13Å; F472-F480 HydrophobicContact CB-CZ 3.85Å
473	Y	97.8	Very high	95.7	Very high	80 Å²	80	42.6 Å²	42.6	31%	0.314	22%	0.216	S	C	.	.	H	α-helix	trans	-66.3	-40.1	174.1	177.2	-106.4	0	0	0	111.8	K465 F469 K470 L475 P477 F480	K465-Y473 HydrophobicContact CB-CD1 4.4Å; K465-Y473 HydrophobicContact CB-CD2 4.37Å; K465-Y473 HydrophobicContact CB-CG 4.21Å; K465-Y473 HydrophobicContact CD-CD2 3.85Å; K465-Y473 HydrophobicContact CD-CE2 3.62Å; K465-Y473 HydrophobicContact CG-CD2 3.76Å; K465-Y473 HydrophobicContact CG-CE2 4.07Å; K465-Y473 HydrophobicContact CG-CG 4.07Å; F469-Y473 PolarHBondContact O-N 2.88Å; K470-Y473 PolarHBondContact O-N 2.81Å; K470-Y473 VanDerWaalsContact O-N 3.15Å; Y473-L475 PolarHBondContact O-N 3.15Å; Y473-P477 HydrophobicContact CD2-CB 4.14Å; Y473-P477 HydrophobicContact CE2-CB 3.74Å; Y473-P477 VanDerWaalsContact O-CA 3.26Å; Y473-P477 WeakPolarHBondContact O-CA 3.33Å; Y473-P477 WeakPolarHBondContact O-CB 3.37Å; Y473-P477 VanDerWaalsContact O-CD 3.3Å; Y473-P477 WeakPolarHBondContact O-CD 3.21Å; Y473-P477 VanDerWaalsContact O-N 3.11Å; Y473-F480 HydrophobicContact CD2-CB 3.85Å; Y473-F480 AromaticContact CD2-CD2 3.74Å; Y473-F480 HydrophobicContact CD2-CD2 3.74Å; Y473-F480 AromaticContact CD2-CG 3.87Å; Y473-F480 HydrophobicContact CD2-CG 3.87Å; Y473-F480 HydrophobicContact CE2-CB 4.27Å; Y473-F480 HydrophobicContact CG-CD2 4.42Å
474	D	97	Very high	96	Very high	57 Å²	57	41.4 Å²	41.4	31%	0.305	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-35.5	174.1	-67	-17	0	0	0	111.4	Y419 R425 K470	Y419-D474 PolarHBondContact OH-O 2.95Å; Y419-D474 VanDerWaalsContact OH-O 3.13Å; R425-D474 IonicContact CZ-OD2 3.74Å; R425-D474 IonicContact NH1-OD2 3.64Å; R425-D474 PolarHBondContact NH1-OD2 3.13Å; R425-D474 IonicContact NH2-OD2 2.62Å; R425-D474 PolarHBondContact NH2-OD2 3.23Å; K470-D474 IonicContact NZ-OD1 3.99Å; K470-D474 PolarHBondContact NZ-OD1 3.38Å; K470-D474 IonicContact NZ-OD2 3.06Å; K470-D474 PolarHBondContact NZ-OD2 2.54Å; K470-D474 VanDerWaalsContact O-CG 3.29Å; K470-D474 PolarHBondContact O-N 2.76Å
475	L	96.6	Very high	96.2	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-80.5	-44.3	-178.6	179.2	68.4	0	0	0	113.4	I415 V418 Y419 M429 D471 F472 Y473	I415-L475 HydrophobicContact CG1-CD2 4.17Å; V418-L475 HydrophobicContact CB-CD1 4.29Å; V418-L475 HydrophobicContact CG1-CD1 4.14Å; V418-L475 HydrophobicContact CG2-CD1 4.22Å; Y419-L475 HydrophobicContact CE2-CB 4.45Å; Y419-L475 HydrophobicContact CE2-CD1 3.92Å; M429-L475 HydrophobicContact CE-CB 4.2Å; M429-L475 HydrophobicContact CE-CD2 3.82Å; D471-L475 PolarHBondContact O-N 3.07Å; F472-L475 PolarHBondContact O-N 3.38Å; Y473-L475 PolarHBondContact O-N 3.15Å
476	D	96.5	Very high	96.4	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	21%	0.207	C	C	.	.			trans	-136.1	67.4	-174.2	-77.3	-51	0	0	0	111.2	R414 F472 Q478 K479	R414-D476 IonicContact CZ-OD1 3.87Å; R414-D476 IonicContact CZ-OD2 2.96Å; R414-D476 IonicContact NH1-OD1 3.46Å; R414-D476 IonicContact NH1-OD2 2.83Å; R414-D476 PolarHBondContact NH1-OD2 3Å; R414-D476 VanDerWaalsContact NH2-CG 3.3Å; R414-D476 IonicContact NH2-OD1 2.86Å; R414-D476 PolarHBondContact NH2-OD1 3.19Å; R414-D476 IonicContact NH2-OD2 2.73Å; R414-D476 PolarHBondContact NH2-OD2 3.49Å; F472-D476 PolarHBondContact O-N 2.89Å; D476-Q478 VanDerWaalsContact C-OE1 3.26Å; D476-Q478 PolarHBondContact O-N 2.88Å; D476-Q478 PolarHBondContact OD1-NE2 2.99Å; D476-K479 HydrophobicContact CB-CD 3.83Å; D476-K479 HydrophobicContact CB-CG 3.97Å; D476-K479 WeakPolarHBondContact O-CB 3.38Å; D476-K479 PolarHBondContact O-N 3.3Å; D476-K479 VanDerWaalsContact O-N 3.09Å
477	P	96.7	Very high	96.6	Very high	60 Å²	60	35.8 Å²	35.8	39%	0.39	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-60.6	-32.5	-172.8	23	-33.8	0	0	0	113.1	Y473 K479 F480	Y473-P477 HydrophobicContact CD2-CB 4.14Å; Y473-P477 HydrophobicContact CE2-CB 3.74Å; Y473-P477 VanDerWaalsContact O-CA 3.26Å; Y473-P477 WeakPolarHBondContact O-CA 3.33Å; Y473-P477 WeakPolarHBondContact O-CB 3.37Å; Y473-P477 VanDerWaalsContact O-CD 3.3Å; Y473-P477 WeakPolarHBondContact O-CD 3.21Å; Y473-P477 VanDerWaalsContact O-N 3.11Å; P477-K479 PolarHBondContact O-N 3.49Å; P477-F480 PolarHBondContact O-N 2.91Å
478	Q	96.8	Very high	97.1	Very high	127 Å²	127	32.3 Å²	32.3	59%	0.593	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-63.1	-19.2	179.1	72.5	-75	1.4	0	0	114.2	D476	D476-Q478 VanDerWaalsContact C-OE1 3.26Å; D476-Q478 PolarHBondContact O-N 2.88Å; D476-Q478 PolarHBondContact OD1-NE2 2.99Å
479	K	97.6	Very high	97.5	Very high	18 Å²	18	30 Å²	30	8%	0.078	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-73.4	-30.4	178.3	-73.1	-172.8	173.8	-167.4	0	112.5	I447 V448 S450 V453 D476 P477	I447-K479 PolarHBondContact O-NZ 3.17Å; V448-K479 PolarHBondContact O-NZ 2.95Å; S450-K479 WeakPolarHBondContact O-CE 3.28Å; S450-K479 PolarHBondContact O-NZ 3.03Å; V453-K479 PolarHBondContact N-O 3.45Å; V453-K479 VanDerWaalsContact O-O 3.1Å; D476-K479 HydrophobicContact CB-CD 3.83Å; D476-K479 HydrophobicContact CB-CG 3.97Å; D476-K479 WeakPolarHBondContact O-CB 3.38Å; D476-K479 PolarHBondContact O-N 3.3Å; D476-K479 VanDerWaalsContact O-N 3.09Å; P477-K479 PolarHBondContact O-N 3.49Å
480	F	98.3	Very high	97.7	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.075	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.3	-167.5	-72.7	-99	0	0	0	111.9	I447 V453 I464 K465 F469 F472 Y473 P477	I447-F480 HydrophobicContact CG2-CZ 4.29Å; V453-F480 HydrophobicContact CB-CD1 4.35Å; V453-F480 HydrophobicContact CB-CE1 4.38Å; V453-F480 HydrophobicContact CG1-CD1 4.15Å; V453-F480 HydrophobicContact CG1-CE1 3.97Å; V453-F480 CarbonylContact O-C 3.15Å; V453-F480 VanDerWaalsContact O-CA 3.31Å; V453-F480 WeakPolarHBondContact O-CA 3.43Å; I464-F480 HydrophobicContact CD1-CD1 4.45Å; K465-F480 HydrophobicContact CD-CB 3.92Å; K465-F480 HydrophobicContact CG-CB 3.91Å; K465-F480 HydrophobicContact CG-CD1 4.02Å; K465-F480 HydrophobicContact CG-CG 4.14Å; F469-F480 HydrophobicContact CB-CE1 3.78Å; F469-F480 HydrophobicContact CB-CZ 3.89Å; F469-F480 HydrophobicContact CD2-CE1 4.18Å; F469-F480 HydrophobicContact CG-CE1 4.41Å; F472-F480 HydrophobicContact CB-CE2 4.13Å; F472-F480 HydrophobicContact CB-CZ 3.85Å; Y473-F480 HydrophobicContact CD2-CB 3.85Å; Y473-F480 AromaticContact CD2-CD2 3.74Å; Y473-F480 HydrophobicContact CD2-CD2 3.74Å; Y473-F480 AromaticContact CD2-CG 3.87Å; Y473-F480 HydrophobicContact CD2-CG 3.87Å; Y473-F480 HydrophobicContact CE2-CB 4.27Å; Y473-F480 HydrophobicContact CG-CD2 4.42Å; P477-F480 PolarHBondContact O-N 2.91Å
481	Q	98.3	Very high	97.8	Very high	47 Å²	47	26 Å²	26	22%	0.22	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171	-179	-57.5	-173.5	12.7	0	0	111.6	V453 N454 G455 E824	V453-Q481 PolarHBondContact O-N 2.93Å; N454-Q481 VanDerWaalsContact CA-O 3.25Å; N454-Q481 WeakPolarHBondContact CA-O 3.12Å; N454-Q481 HydrophobicContact CB-CB 4.2Å; G455-Q481 PolarHBondContact N-O 3.16Å; Q481-E824 PolarHBondContact NE2-O 2.7Å
482	N	98.2	Very high	97.8	Very high	48 Å²	48	24.8 Å²	24.8	26%	0.257	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.9	166	176.7	52.9	0	0	0	109.6	A457 R458 S461 T484	A457-N482 PolarHBondContact O-OD1 2.91Å; R458-N482 PolarHBondContact N-OD1 2.77Å; S461-N482 WeakPolarHBondContact OG-CA 3.38Å; S461-N482 WeakPolarHBondContact OG-CB 3.34Å; S461-N482 PolarHBondContact OG-OD1 3.09Å; N482-T484 PolarHBondContact ND2-OG1 3.28Å
483	K	98.3	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.			trans	-138.7	87.3	165.6	-62.4	-71.2	174.8	-77.5	0	108.4	N454 G455 V456 N485 Q820 Y821 E824 I825	N454-K483 HydrophobicContact CB-CG 4.23Å; G455-K483 PolarHBondContact O-N 3.31Å; V456-K483 WeakPolarHBondContact CA-O 3.49Å; K483-N485 PolarHBondContact O-N 3.26Å; K483-Q820 HydrophobicContact CD-CB 3.53Å; K483-Q820 WeakPolarHBondContact CE-O 3.26Å; K483-Y821 HydrophobicContact CB-CD2 3.98Å; K483-Y821 HydrophobicContact CB-CE1 4.39Å; K483-Y821 HydrophobicContact CB-CE2 3.32Å; K483-Y821 HydrophobicContact CD-CD2 4.05Å; K483-Y821 HydrophobicContact CD-CE2 4.26Å; K483-Y821 HydrophobicContact CD-CG 4.32Å; K483-Y821 HydrophobicContact CG-CD1 4.34Å; K483-Y821 HydrophobicContact CG-CD2 3.94Å; K483-Y821 HydrophobicContact CG-CE1 4.08Å; K483-Y821 HydrophobicContact CG-CE2 3.67Å; K483-Y821 HydrophobicContact CG-CG 4.26Å; K483-E824 WeakPolarHBondContact CE-OE2 3.46Å; K483-E824 IonicContact NZ-OE2 3.35Å; K483-E824 PolarHBondContact NZ-OE2 2.79Å; K483-I825 HydrophobicContact CG-CD1 4.09Å
484	T	97.9	Very high	97.9	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.031	11%	0.106	C	C	.	.			trans	-52.4	131.4	178.4	-56.2	0	0	0	0	109.8	V456 N482 E699 R816 T817	V456-T484 CarbonylContact O-C 3.52Å; V456-T484 WeakPolarHBondContact O-CA 3.48Å; N482-T484 PolarHBondContact ND2-OG1 3.28Å; T484-E699 WeakPolarHBondContact CB-OE1 3.25Å; T484-E699 VanDerWaalsContact CG2-OE1 3.31Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.16Å; T484-E699 VanDerWaalsContact CG2-OE2 3.24Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.29Å; T484-E699 PolarHBondContact OG1-OE1 3.03Å; T484-E699 PolarHBondContact OG1-OE2 3.32Å; T484-R816 PolarHBondContact O-NH1 2.85Å; T484-R816 PolarHBondContact O-NH2 2.53Å; T484-T817 WeakPolarHBondContact O-CG2 3.43Å; T484-T817 PolarHBondContact O-OG1 3.04Å
485	N	97.8	Very high	97.8	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.043	9%	0.092	C	C	.	.			trans	-57.3	168.6	178.8	-78.1	-21.3	0	0	0	112.6	L140 V456 K483 S675 T677 M680 R816	L140-N485 HydrophobicContact CD1-CB 3.96Å; L140-N485 WeakPolarHBondContact CD1-OD1 3.4Å; L140-N485 VanDerWaalsContact CD2-OD1 3.22Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.41Å; V456-N485 PolarHBondContact O-N 3.13Å; K483-N485 PolarHBondContact O-N 3.26Å; N485-S675 WeakPolarHBondContact ND2-CB 3.39Å; N485-S675 PolarHBondContact ND2-OG 2.87Å; N485-T677 HydrophobicContact CB-CG2 3.97Å; N485-M680 HydrophobicContact CB-CE 4.08Å; N485-R816 PolarHBondContact O-NH2 3.38Å
486	G	97.9	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-156.2	168.8	173.7	0	0	0	0	0	111.7	F812 T817	G486-F812 CarbonylContact C-O 3.57Å; G486-F812 WeakPolarHBondContact CA-O 3.45Å; G486-T817 PolarHBondContact N-OG1 2.87Å
487	I	98.7	Very high	97.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-122.1	149.7	178.2	59.7	169.7	0	0	0	110.2	P489 W492 M680 K681 L684 F812 S813 S814	I487-P489 WeakPolarHBondContact O-CD 3.33Å; I487-W492 HydrophobicContact CB-CG 4.47Å; I487-W492 HydrophobicContact CD1-CB 4.06Å; I487-W492 HydrophobicContact CD1-CG 4.41Å; I487-M680 HydrophobicContact CD1-CB 3.87Å; I487-M680 HydrophobicContact CG1-CB 4.12Å; I487-M680 HydrophobicContact CG2-CB 4.24Å; I487-M680 HydrophobicContact CG2-SD 4.41Å; I487-K681 HydrophobicContact CB-CG 4.49Å; I487-K681 VanDerWaalsContact CD1-CA 3.48Å; I487-K681 HydrophobicContact CD1-CB 4.06Å; I487-K681 HydrophobicContact CD1-CG 3.57Å; I487-K681 HydrophobicContact CG2-CG 4.01Å; I487-L684 HydrophobicContact CD1-CB 4.5Å; I487-L684 HydrophobicContact CD1-CD2 4.08Å; I487-F812 PolarHBondContact N-O 3.34Å; I487-S813 WeakPolarHBondContact O-CA 3.28Å; I487-S814 PolarHBondContact O-N 3.34Å; I487-S814 PolarHBondContact O-OG 3.4Å
488	T	98.6	Very high	97.9	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.079	C	C	.	.			trans	-75.9	121.5	176	170.3	0	0	0	0	111	C143 D146 R490 R491 W492 S814	C143-T488 HydrophobicContact CB-CG2 4.14Å; D146-T488 VanDerWaalsContact OD2-CB 3.32Å; D146-T488 WeakPolarHBondContact OD2-CB 3.46Å; D146-T488 PolarHBondContact OD2-OG1 3.39Å; T488-R490 PolarHBondContact O-N 3.02Å; T488-R490 PolarHBondContact OG1-N 3.02Å; T488-R490 PolarHBondContact OG1-NE 2.77Å; T488-R490 PolarHBondContact OG1-NH2 2.82Å; T488-R491 HydrophobicContact CG2-CB 3.9Å; T488-W492 WeakPolarHBondContact O-CB 3.15Å; T488-W492 VanDerWaalsContact O-CD1 3.29Å; T488-W492 PolarHBondContact O-N 3.38Å; T488-W492 VanDerWaalsContact O-N 3.09Å; T488-S814 WeakPolarHBondContact CA-OG 3.5Å; T488-S814 PolarHBondContact N-OG 3.44Å; T488-S814 VanDerWaalsContact N-OG 3.12Å
489	P	98.3	Very high	98	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-16.8	175	26.8	-35.6	0	0	0	113.1	I487 L493 V494 L516 L684	I487-P489 WeakPolarHBondContact O-CD 3.33Å; P489-L493 WeakPolarHBondContact O-CB 3.4Å; P489-L493 PolarHBondContact O-N 3.42Å; P489-L493 VanDerWaalsContact O-N 3.12Å; P489-V494 PolarHBondContact O-N 2.99Å; P489-V494 VanDerWaalsContact O-N 3.14Å; P489-L516 HydrophobicContact CB-CD1 3.68Å; P489-L516 HydrophobicContact CB-CD2 4.27Å; P489-L516 HydrophobicContact CG-CD1 4.15Å; P489-L516 HydrophobicContact CG-CD2 4.49Å; P489-L684 HydrophobicContact CB-CD2 4.5Å
490	R	98.4	Very high	98	Very high	1 Å²	1	10 Å²	10	0%	0.004	6%	0.057	C	C	.	.	I	π-helix	trans	-64.2	-53	177.3	-74.4	70.8	65.2	-176.9	3.2	110.6	D146 S147 Y234 T488 V494 M495 I513 D815	D146-R490 IonicContact OD2-CZ 3.29Å; D146-R490 IonicContact OD2-NE 3.52Å; D146-R490 PolarHBondContact OD2-NE 2.82Å; D146-R490 IonicContact OD2-NH2 3.2Å; D146-R490 PolarHBondContact OD2-NH2 2.84Å; S147-R490 PolarHBondContact OG-NH2 3.04Å; Y234-R490 HydrophobicContact CD2-CG 3.5Å; Y234-R490 VanDerWaalsContact CD2-CG 3.5Å; Y234-R490 HydrophobicContact CE2-CG 4.24Å; Y234-R490 HydrophobicContact CG-CG 3.75Å; T488-R490 PolarHBondContact O-N 3.02Å; T488-R490 PolarHBondContact OG1-N 3.02Å; T488-R490 PolarHBondContact OG1-NE 2.77Å; T488-R490 PolarHBondContact OG1-NH2 2.82Å; R490-V494 PolarHBondContact O-N 3.42Å; R490-M495 WeakPolarHBondContact O-CB 3.22Å; R490-M495 PolarHBondContact O-N 3.09Å; R490-I513 HydrophobicContact CG-CG2 4.29Å; R490-D815 IonicContact CZ-OD1 2.73Å; R490-D815 IonicContact CZ-OD2 3.26Å; R490-D815 VanDerWaalsContact NH1-CG 3.26Å; R490-D815 IonicContact NH1-OD1 2.69Å; R490-D815 PolarHBondContact NH1-OD1 3.34Å; R490-D815 VanDerWaalsContact NH1-OD1 3.13Å; R490-D815 IonicContact NH1-OD2 2.73Å; R490-D815 PolarHBondContact NH1-OD2 3.41Å; R490-D815 IonicContact NH2-OD1 2.6Å; R490-D815 PolarHBondContact NH2-OD1 2.8Å; R490-D815 IonicContact NH2-OD2 2.94Å
491	R	98.3	Very high	98	Very high	6 Å²	6	9.2 Å²	9.2	2%	0.023	5%	0.054	C	C	.	.	I	π-helix	trans	-77.2	-46.2	178.3	-175.6	170.6	-67.7	-96.2	3.3	112.1	R94 T488 L493 M495 C496 E655	R94-R491 PolarHBondContact O-NH1 3.22Å; R94-R491 PolarHBondContact O-NH2 2.83Å; T488-R491 HydrophobicContact CG2-CB 3.9Å; R491-L493 VanDerWaalsContact C-N 3.32Å; R491-L493 PolarHBondContact O-N 3.45Å; R491-M495 HydrophobicContact CG-SD 4.09Å; R491-C496 PolarHBondContact O-N 3.41Å; R491-C496 PolarHBondContact O-SG 3.45Å; R491-C496 VanDerWaalsContact O-SG 3.38Å; R491-E655 VanDerWaalsContact CD-OE1 3.29Å; R491-E655 WeakPolarHBondContact CD-OE1 3.42Å; R491-E655 WeakPolarHBondContact CG-OE1 3.3Å; R491-E655 IonicContact CZ-OE1 2.72Å; R491-E655 IonicContact NE-OE1 3.47Å; R491-E655 IonicContact NH1-OE1 3.42Å; R491-E655 PolarHBondContact NH1-OE1 2.97Å
492	W	98.6	Very high	98	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	5%	0.05	C	C	.	.	I	π-helix	trans	-90.2	11.3	-168.4	-59.7	112	0	0	0	114.6	R139 I487 T488 V651 A654 E655 I658 K681 N685	R139-W492 HydrophobicContact CG-CZ2 4.09Å; I487-W492 HydrophobicContact CB-CG 4.47Å; I487-W492 HydrophobicContact CD1-CB 4.06Å; I487-W492 HydrophobicContact CD1-CG 4.41Å; T488-W492 WeakPolarHBondContact O-CB 3.15Å; T488-W492 VanDerWaalsContact O-CD1 3.29Å; T488-W492 PolarHBondContact O-N 3.38Å; T488-W492 VanDerWaalsContact O-N 3.09Å; W492-V651 HydrophobicContact CH2-CG1 4.11Å; W492-V651 HydrophobicContact CZ2-CG1 4.44Å; W492-A654 HydrophobicContact CH2-CB 3.98Å; W492-A654 HydrophobicContact CZ3-CB 3.97Å; W492-E655 HydrophobicContact CH2-CG 4.4Å; W492-E655 HydrophobicContact CZ3-CG 3.98Å; W492-I658 HydrophobicContact CE3-CD1 4.22Å; W492-I658 HydrophobicContact CZ3-CD1 3.92Å; W492-K681 HydrophobicContact CB-CG 4.34Å; W492-K681 HydrophobicContact CD2-CD 3.67Å; W492-K681 HydrophobicContact CD2-CG 3.87Å; W492-K681 VanDerWaalsContact CE2-CE 3.45Å; W492-K681 HydrophobicContact CE3-CD 3.73Å; W492-K681 HydrophobicContact CE3-CG 4.13Å; W492-K681 HydrophobicContact CG-CD 4.27Å; W492-K681 HydrophobicContact CG-CG 3.96Å; W492-K681 HydrophobicContact CH2-CD 4.14Å; W492-K681 HydrophobicContact CZ2-CD 4.08Å; W492-K681 HydrophobicContact CZ3-CD 3.96Å; W492-N685 PolarHBondContact O-ND2 2.84Å
493	L	98.6	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-144.9	-61.7	168.5	178.2	58.3	0	0	0	111.2	P489 R491 M495 N497 L500 A501 I504 Y512 L684	P489-L493 WeakPolarHBondContact O-CB 3.4Å; P489-L493 PolarHBondContact O-N 3.42Å; P489-L493 VanDerWaalsContact O-N 3.12Å; R491-L493 VanDerWaalsContact C-N 3.32Å; R491-L493 PolarHBondContact O-N 3.45Å; L493-M495 PolarHBondContact O-N 3.44Å; L493-N497 HydrophobicContact CD1-CB 4.42Å; L493-N497 CarbonylContact O-C 3.12Å; L493-N497 VanDerWaalsContact O-CA 3.27Å; L493-N497 WeakPolarHBondContact O-CA 3.42Å; L493-N497 PolarHBondContact O-N 3.14Å; L493-L500 HydrophobicContact CD1-CB 4.24Å; L493-L500 HydrophobicContact CD1-CD2 3.88Å; L493-L500 HydrophobicContact CD1-CG 4.06Å; L493-A501 HydrophobicContact CG-CB 4.35Å; L493-I504 HydrophobicContact CD2-CD1 4.23Å; L493-Y512 HydrophobicContact CD2-CD2 4.49Å; L493-Y512 HydrophobicContact CD2-CE2 3.69Å; L493-L684 HydrophobicContact CB-CD2 3.9Å; L493-L684 HydrophobicContact CB-CG 4.18Å; L493-L684 HydrophobicContact CD2-CD1 4Å; L493-L684 HydrophobicContact CD2-CD2 4.48Å; L493-L684 HydrophobicContact CD2-CG 4.2Å
494	V	97.9	Very high	97.9	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.006	4%	0.041	C	C	.	.	I	π-helix	trans	-64.2	-45.9	-173.8	-178.7	0	0	0	0	112	V101 P489 R490 A501 I513	V101-V494 HydrophobicContact CG1-CG1 4.05Å; P489-V494 PolarHBondContact O-N 2.99Å; P489-V494 VanDerWaalsContact O-N 3.14Å; R490-V494 PolarHBondContact O-N 3.42Å; V494-A501 HydrophobicContact CG2-CB 4.45Å; V494-I513 HydrophobicContact CG2-CB 4.46Å; V494-I513 HydrophobicContact CG2-CD1 3.82Å; V494-I513 HydrophobicContact CG2-CG1 3.78Å; V494-I513 HydrophobicContact CG2-CG2 3.84Å
495	M	95.9	Very high	97.9	Very high	6 Å²	6	7 Å²	7	3%	0.03	4%	0.044	C	C	.	.	I	π-helix	trans	-73.7	-52.4	-179.4	-178.7	177.4	156.3	0	0	112.3	Q97 N98 V101 R490 R491 L493	Q97-M495 HydrophobicContact CB-CE 3.84Å; Q97-M495 HydrophobicContact CB-CG 4.31Å; Q97-M495 HydrophobicContact CB-SD 4.22Å; Q97-M495 VanDerWaalsContact CD-CG 3.47Å; Q97-M495 HydrophobicContact CG-CE 4.39Å; Q97-M495 HydrophobicContact CG-CG 3.89Å; Q97-M495 HydrophobicContact CG-SD 4.42Å; Q97-M495 PolarHBondContact NE2-O 3.02Å; Q97-M495 VanDerWaalsContact OE1-CG 3.28Å; N98-M495 HydrophobicContact CB-SD 3.84Å; V101-M495 HydrophobicContact CG2-CB 4.34Å; R490-M495 WeakPolarHBondContact O-CB 3.22Å; R490-M495 PolarHBondContact O-N 3.09Å; R491-M495 HydrophobicContact CG-SD 4.09Å; L493-M495 PolarHBondContact O-N 3.44Å
496	C	97.6	Very high	97.9	Very high	19 Å²	19	12 Å²	12	13%	0.128	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-21.4	-173.2	70	0	0	0	0	114.5	R491 E655 P659	R491-C496 PolarHBondContact O-N 3.41Å; R491-C496 PolarHBondContact O-SG 3.45Å; R491-C496 VanDerWaalsContact O-SG 3.38Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.24Å; C496-E655 WeakPolarHBondContact CB-O 3.42Å; C496-P659 HydrophobicContact CB-CG 4.14Å; C496-P659 WeakPolarHBondContact O-CG 3.03Å
497	N	98.3	Very high	97.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.08	C	C	.	.			trans	-140	60.6	-176.7	-164.5	-3.7	0	0	0	111.7	L493 G499 L500 A501 N542 P659 N685	L493-N497 HydrophobicContact CD1-CB 4.42Å; L493-N497 CarbonylContact O-C 3.12Å; L493-N497 VanDerWaalsContact O-CA 3.27Å; L493-N497 WeakPolarHBondContact O-CA 3.42Å; L493-N497 PolarHBondContact O-N 3.14Å; N497-G499 PolarHBondContact O-N 3.11Å; N497-L500 HydrophobicContact CB-CB 4.36Å; N497-L500 VanDerWaalsContact CG-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CB 3.48Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.46Å; N497-L500 PolarHBondContact O-N 3.32Å; N497-L500 VanDerWaalsContact O-N 3.11Å; N497-L500 WeakPolarHBondContact OD1-CB 3.36Å; N497-L500 PolarHBondContact OD1-N 3.45Å; N497-A501 PolarHBondContact O-N 2.93Å; N497-N542 PolarHBondContact OD1-ND2 2.86Å; N497-P659 HydrophobicContact CB-CB 4.11Å; N497-P659 HydrophobicContact CB-CG 4.13Å; N497-N685 WeakPolarHBondContact CB-OD1 3.5Å; N497-N685 PolarHBondContact ND2-OD1 3.34Å
498	P	96.7	Very high	97.8	Very high	22 Å²	22	16.4 Å²	16.4	14%	0.143	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-29.3	-175.8	25.6	-35.4	0	0	0	112.7	I14 A501 E502	I14-P498 HydrophobicContact CD1-CB 4.02Å; P498-A501 PolarHBondContact O-N 3.36Å; P498-E502 PolarHBondContact O-N 3.31Å
499	G	97.5	Very high	97.7	Very high	18 Å²	18	18 Å²	18	19%	0.186	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-43.2	174.9	0	0	0	0	0	112.8	N497 E502 V503	N497-G499 PolarHBondContact O-N 3.11Å; G499-E502 PolarHBondContact O-N 2.81Å; G499-V503 WeakPolarHBondContact O-CG2 3.47Å; G499-V503 PolarHBondContact O-N 3.23Å
500	L	98.5	Very high	97.6	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-70.4	-39.7	176.6	-178.4	60.3	0	0	0	110.9	L493 N497 E502 V503 I504 I538 I806	L493-L500 HydrophobicContact CD1-CB 4.24Å; L493-L500 HydrophobicContact CD1-CD2 3.88Å; L493-L500 HydrophobicContact CD1-CG 4.06Å; N497-L500 HydrophobicContact CB-CB 4.36Å; N497-L500 VanDerWaalsContact CG-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CB 3.48Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.46Å; N497-L500 PolarHBondContact O-N 3.32Å; N497-L500 VanDerWaalsContact O-N 3.11Å; N497-L500 WeakPolarHBondContact OD1-CB 3.36Å; N497-L500 PolarHBondContact OD1-N 3.45Å; L500-E502 VanDerWaalsContact C-N 3.29Å; L500-E502 PolarHBondContact O-N 2.98Å; L500-V503 PolarHBondContact O-N 2.99Å; L500-I504 HydrophobicContact CD1-CD1 4.31Å; L500-I504 HydrophobicContact CD1-CG1 4.47Å; L500-I504 HydrophobicContact CG-CD1 4.01Å; L500-I504 VanDerWaalsContact O-CG1 3.29Å; L500-I504 WeakPolarHBondContact O-CG1 3.48Å; L500-I504 PolarHBondContact O-N 3.21Å; L500-I538 HydrophobicContact CB-CG2 3.99Å; L500-I806 HydrophobicContact CD1-CD1 4.32Å; L500-I806 HydrophobicContact CD2-CD1 4.2Å
501	A	98.3	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.3	-43.1	175.7	0	0	0	0	0	111.7	V16 L493 V494 N497 P498 I504 A505 Y512	V16-A501 HydrophobicContact CG2-CB 4.19Å; L493-A501 HydrophobicContact CG-CB 4.35Å; V494-A501 HydrophobicContact CG2-CB 4.45Å; N497-A501 PolarHBondContact O-N 2.93Å; P498-A501 PolarHBondContact O-N 3.36Å; A501-I504 PolarHBondContact O-N 3Å; A501-A505 WeakPolarHBondContact O-CB 3.42Å; A501-A505 PolarHBondContact O-N 3.03Å; A501-Y512 VanDerWaalsContact CA-OH 3.29Å; A501-Y512 WeakPolarHBondContact CA-OH 3.44Å; A501-Y512 WeakPolarHBondContact CB-OH 3.31Å; A501-Y512 PolarHBondContact O-OH 3.31Å
502	E	97	Very high	97.4	Very high	30 Å²	30	25.7 Å²	25.7	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-47.6	177.1	-166.8	63.5	-173.6	0	0	112.6	I14 S15 V16 P498 G499 L500 I504 A505 E506	I14-E502 HydrophobicContact CG2-CB 3.95Å; I14-E502 HydrophobicContact CG2-CG 4.12Å; I14-E502 WeakPolarHBondContact CG2-OE2 3.49Å; S15-E502 VanDerWaalsContact CB-OE1 3.3Å; S15-E502 WeakPolarHBondContact CB-OE1 3.49Å; S15-E502 VanDerWaalsContact N-CD 3.35Å; S15-E502 PolarHBondContact N-OE1 3.38Å; S15-E502 VanDerWaalsContact N-OE1 3.07Å; S15-E502 PolarHBondContact N-OE2 3.29Å; S15-E502 PolarHBondContact OG-OE1 3.31Å; S15-E502 PolarHBondContact OG-OE2 3.22Å; V16-E502 PolarHBondContact N-OE2 3.22Å; P498-E502 PolarHBondContact O-N 3.31Å; G499-E502 PolarHBondContact O-N 2.81Å; L500-E502 VanDerWaalsContact C-N 3.29Å; L500-E502 PolarHBondContact O-N 2.98Å; E502-I504 PolarHBondContact O-N 2.97Å; E502-A505 PolarHBondContact O-N 3.11Å; E502-E506 WeakPolarHBondContact O-CG 3.29Å; E502-E506 PolarHBondContact O-N 2.99Å
503	V	97.6	Very high	97.3	Very high	12 Å²	12	25.7 Å²	25.7	7%	0.073	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-34.6	179.2	167.6	0	0	0	0	111.5	G499 L500 F531 D534 V535 I538	G499-V503 WeakPolarHBondContact O-CG2 3.47Å; G499-V503 PolarHBondContact O-N 3.23Å; L500-V503 PolarHBondContact O-N 2.99Å; V503-F531 HydrophobicContact CG1-CD2 3.98Å; V503-F531 HydrophobicContact CG1-CE2 3.66Å; V503-D534 HydrophobicContact CG1-CB 3.99Å; V503-D534 HydrophobicContact CG2-CB 4.23Å; V503-V535 HydrophobicContact CG1-CG2 4.31Å; V503-I538 HydrophobicContact CG2-CD1 4.34Å; V503-I538 HydrophobicContact CG2-CG1 3.88Å
504	I	98.3	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-50	172.1	-66.8	168.6	0	0	0	110.2	L493 L500 A501 E502 E506 R507 I508 Y512 L519 L522 I806	L493-I504 HydrophobicContact CD2-CD1 4.23Å; L500-I504 HydrophobicContact CD1-CD1 4.31Å; L500-I504 HydrophobicContact CD1-CG1 4.47Å; L500-I504 HydrophobicContact CG-CD1 4.01Å; L500-I504 VanDerWaalsContact O-CG1 3.29Å; L500-I504 WeakPolarHBondContact O-CG1 3.48Å; L500-I504 PolarHBondContact O-N 3.21Å; A501-I504 PolarHBondContact O-N 3Å; E502-I504 PolarHBondContact O-N 2.97Å; I504-E506 VanDerWaalsContact C-N 3.31Å; I504-E506 PolarHBondContact O-N 3.33Å; I504-R507 PolarHBondContact O-N 3.22Å; I504-I508 HydrophobicContact CG2-CD1 3.68Å; I504-I508 HydrophobicContact CG2-CG1 3.75Å; I504-I508 WeakPolarHBondContact O-CG1 3.33Å; I504-I508 PolarHBondContact O-N 3.19Å; I504-Y512 HydrophobicContact CB-CE1 4.33Å; I504-Y512 HydrophobicContact CG2-CD1 3.83Å; I504-Y512 HydrophobicContact CG2-CD2 4.34Å; I504-Y512 HydrophobicContact CG2-CE1 3.64Å; I504-Y512 HydrophobicContact CG2-CE2 4.18Å; I504-Y512 HydrophobicContact CG2-CG 4.19Å; I504-L519 HydrophobicContact CD1-CD2 4.16Å; I504-L519 HydrophobicContact CG2-CD2 3.76Å; I504-L522 HydrophobicContact CD1-CD1 4.36Å; I504-L522 HydrophobicContact CG1-CD1 4.03Å; I504-L522 HydrophobicContact CG2-CD1 4.31Å; I504-L522 HydrophobicContact CG2-CD2 4.37Å; I504-I806 HydrophobicContact CD1-CG2 4.15Å
505	A	97.6	Very high	97	Very high	11 Å²	11	32.7 Å²	32.7	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-37.4	-177.4	0	0	0	0	0	113.1	V16 A501 E502 R507 G509 E510 Y512	V16-A505 HydrophobicContact CG1-CB 3.67Å; A501-A505 WeakPolarHBondContact O-CB 3.42Å; A501-A505 PolarHBondContact O-N 3.03Å; E502-A505 PolarHBondContact O-N 3.11Å; A505-R507 PolarHBondContact O-N 3.2Å; A505-G509 WeakPolarHBondContact CA-O 3.5Å; A505-G509 VanDerWaalsContact O-CA 3.27Å; A505-G509 WeakPolarHBondContact O-CA 3.3Å; A505-G509 PolarHBondContact O-N 3.29Å; A505-E510 HydrophobicContact CB-CG 4.38Å; A505-Y512 HydrophobicContact CB-CE1 4.22Å
506	E	97.2	Very high	97.1	Very high	113 Å²	113	32.6 Å²	32.6	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-60.1	-24.4	174.8	-74.1	-176.6	-175.4	0	0	113.5	E502 I504	E502-E506 WeakPolarHBondContact O-CG 3.29Å; E502-E506 PolarHBondContact O-N 2.99Å; I504-E506 VanDerWaalsContact C-N 3.31Å; I504-E506 PolarHBondContact O-N 3.33Å
507	R	97.2	Very high	97.1	Very high	72 Å²	72	35.2 Å²	35.2	27%	0.272	19%	0.185	S	C	.	.	H	α-helix	trans	-99.4	-37.5	-178.1	-61.1	-60.6	179.1	-85.7	-8.6	112.7	I504 A505 F525 F531 D534	I504-R507 PolarHBondContact O-N 3.22Å; A505-R507 PolarHBondContact O-N 3.2Å; R507-F525 HydrophobicContact CB-CE2 4.19Å; R507-F525 HydrophobicContact CB-CZ 4.21Å; R507-F531 HydrophobicContact CG-CD2 3.9Å; R507-F531 HydrophobicContact CG-CE2 4.04Å; R507-D534 IonicContact NH2-OD2 3.98Å; R507-D534 PolarHBondContact NH2-OD2 3.01Å
508	I	97.7	Very high	97.1	Very high	24 Å²	24	36.6 Å²	36.6	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-126	1.6	-170.6	68.9	165.6	0	0	0	115	I504 Y512 L519 K521 L522 F525	I504-I508 HydrophobicContact CG2-CD1 3.68Å; I504-I508 HydrophobicContact CG2-CG1 3.75Å; I504-I508 WeakPolarHBondContact O-CG1 3.33Å; I504-I508 PolarHBondContact O-N 3.19Å; I508-Y512 HydrophobicContact CD1-CD1 4.19Å; I508-Y512 HydrophobicContact CD1-CG 4.28Å; I508-Y512 HydrophobicContact CG1-CD1 4.29Å; I508-L519 HydrophobicContact CD1-CD2 4.22Å; I508-K521 HydrophobicContact CB-CD 4.35Å; I508-K521 HydrophobicContact CG2-CB 3.74Å; I508-K521 HydrophobicContact CG2-CD 4.39Å; I508-L522 HydrophobicContact CD1-CD2 4.33Å; I508-L522 HydrophobicContact CD1-CG 4.45Å; I508-L522 HydrophobicContact CG1-CD2 4.49Å; I508-L522 HydrophobicContact CG2-CD2 3.88Å; I508-F525 HydrophobicContact CG2-CE2 4.41Å
509	G	96.9	Very high	97.2	Very high	33 Å²	33	35.6 Å²	35.6	34%	0.34	19%	0.185	S	C	.	.			trans	81.6	-177.7	-175.1	0	0	0	0	0	113.6	A505 Y512	A505-G509 WeakPolarHBondContact CA-O 3.5Å; A505-G509 VanDerWaalsContact O-CA 3.27Å; A505-G509 WeakPolarHBondContact O-CA 3.3Å; A505-G509 PolarHBondContact O-N 3.29Å; G509-Y512 WeakPolarHBondContact O-CD1 3.28Å; G509-Y512 WeakPolarHBondContact O-CE1 3.48Å
510	E	95.8	Very high	97.2	Very high	60 Å²	60	39.5 Å²	39.5	28%	0.28	20%	0.197	S	C	.	.	S	Bend	trans	-90.4	-10.1	-175	-65.1	-170.1	-168.4	0	0	114.8	V16 R235 A505 Y512 I513	V16-E510 HydrophobicContact CG1-CG 4.18Å; R235-E510 IonicContact CZ-OE2 3.65Å; R235-E510 IonicContact NH1-OE2 2.72Å; R235-E510 PolarHBondContact NH1-OE2 3.25Å; R235-E510 IonicContact NH2-OE2 2.87Å; A505-E510 HydrophobicContact CB-CG 4.38Å; E510-Y512 PolarHBondContact O-N 3.09Å; E510-I513 HydrophobicContact CB-CD1 4.38Å; E510-I513 WeakPolarHBondContact O-CG1 3.08Å; E510-I513 PolarHBondContact O-N 2.99Å; E510-I513 VanDerWaalsContact O-N 3.13Å
511	D	95.4	Very high	97.2	Very high	109 Å²	109	43.8 Å²	43.8	58%	0.583	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-61.8	-24.2	-171.6	-72.1	-29.5	0	0	0	113	I513 R514 D515	D511-I513 PolarHBondContact O-N 3.31Å; D511-R514 PolarHBondContact O-N 3.15Å; D511-D515 PolarHBondContact O-N 3.15Å
512	Y	97.4	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.6	-21.5	178.3	79.4	-89	0	0	0	113.8	L493 A501 I504 A505 I508 G509 E510 R514 D515 L516 L519	L493-Y512 HydrophobicContact CD2-CD2 4.49Å; L493-Y512 HydrophobicContact CD2-CE2 3.69Å; A501-Y512 VanDerWaalsContact CA-OH 3.29Å; A501-Y512 WeakPolarHBondContact CA-OH 3.44Å; A501-Y512 WeakPolarHBondContact CB-OH 3.31Å; A501-Y512 PolarHBondContact O-OH 3.31Å; I504-Y512 HydrophobicContact CB-CE1 4.33Å; I504-Y512 HydrophobicContact CG2-CD1 3.83Å; I504-Y512 HydrophobicContact CG2-CD2 4.34Å; I504-Y512 HydrophobicContact CG2-CE1 3.64Å; I504-Y512 HydrophobicContact CG2-CE2 4.18Å; I504-Y512 HydrophobicContact CG2-CG 4.19Å; A505-Y512 HydrophobicContact CB-CE1 4.22Å; I508-Y512 HydrophobicContact CD1-CD1 4.19Å; I508-Y512 HydrophobicContact CD1-CG 4.28Å; I508-Y512 HydrophobicContact CG1-CD1 4.29Å; G509-Y512 WeakPolarHBondContact O-CD1 3.28Å; G509-Y512 WeakPolarHBondContact O-CE1 3.48Å; E510-Y512 PolarHBondContact O-N 3.09Å; Y512-R514 PolarHBondContact O-N 3Å; Y512-D515 VanDerWaalsContact CA-O 3.29Å; Y512-D515 WeakPolarHBondContact CA-O 3.17Å; Y512-D515 CarbonylContact O-C 3.54Å; Y512-D515 VanDerWaalsContact O-C 3.29Å; Y512-D515 PolarHBondContact O-N 3.02Å; Y512-L516 HydrophobicContact CD2-CD1 4.16Å; Y512-L516 WeakPolarHBondContact O-CA 3.22Å; Y512-L516 PolarHBondContact O-N 2.95Å; Y512-L519 HydrophobicContact CD2-CD2 3.79Å; Y512-L519 HydrophobicContact CD2-CG 4.47Å; Y512-L519 HydrophobicContact CE2-CD2 4.44Å; Y512-L519 HydrophobicContact CG-CD2 4.11Å
513	I	96.7	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-66.8	-27.1	179.2	-57.6	168.3	0	0	0	110.9	V16 Y234 R490 V494 E510 D511	V16-I513 HydrophobicContact CG1-CD1 4.43Å; Y234-I513 HydrophobicContact CD1-CG2 3.97Å; Y234-I513 HydrophobicContact CD2-CG2 4.34Å; Y234-I513 HydrophobicContact CE1-CB 3.94Å; Y234-I513 HydrophobicContact CE1-CG2 3.45Å; Y234-I513 VanDerWaalsContact CE1-CG2 3.45Å; Y234-I513 HydrophobicContact CE2-CG2 3.85Å; Y234-I513 HydrophobicContact CG-CG2 4.4Å; Y234-I513 VanDerWaalsContact OH-CD1 3.31Å; Y234-I513 WeakPolarHBondContact OH-CD1 3.17Å; R490-I513 HydrophobicContact CG-CG2 4.29Å; V494-I513 HydrophobicContact CG2-CB 4.46Å; V494-I513 HydrophobicContact CG2-CD1 3.82Å; V494-I513 HydrophobicContact CG2-CG1 3.78Å; V494-I513 HydrophobicContact CG2-CG2 3.84Å; E510-I513 HydrophobicContact CB-CD1 4.38Å; E510-I513 WeakPolarHBondContact O-CG1 3.08Å; E510-I513 PolarHBondContact O-N 2.99Å; E510-I513 VanDerWaalsContact O-N 3.13Å; D511-I513 PolarHBondContact O-N 3.31Å
514	R	93.5	Very high	97.3	Very high	77 Å²	77	52 Å²	52	29%	0.291	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-19.5	175.1	-66.8	174.3	172.4	-162.8	-10.4	113.2	Y234 R235 D511 Y512	Y234-R514 HydrophobicContact CD1-CG 3.57Å; Y234-R514 HydrophobicContact CE1-CG 3.93Å; Y234-R514 PolarHBondContact O-NE 3.38Å; Y234-R514 PolarHBondContact O-NH2 2.95Å; R235-R514 PolarHBondContact O-NH2 2.88Å; D511-R514 PolarHBondContact O-N 3.15Å; Y512-R514 PolarHBondContact O-N 3Å
515	D	96.4	Very high	97.3	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	27%	0.271	S	S	.	.			trans	-137.2	79.4	-177.5	178.6	20	0	0	0	110.4	D511 Y512 D517 Q518	D511-D515 PolarHBondContact O-N 3.15Å; Y512-D515 VanDerWaalsContact CA-O 3.29Å; Y512-D515 WeakPolarHBondContact CA-O 3.17Å; Y512-D515 CarbonylContact O-C 3.54Å; Y512-D515 VanDerWaalsContact O-C 3.29Å; Y512-D515 PolarHBondContact O-N 3.02Å; D515-D517 PolarHBondContact O-N 3.25Å; D515-D517 VanDerWaalsContact O-N 3.07Å; D515-Q518 HydrophobicContact CB-CG 4.34Å; D515-Q518 WeakPolarHBondContact O-CB 3.46Å; D515-Q518 WeakPolarHBondContact O-CG 3.13Å; D515-Q518 PolarHBondContact O-N 3.26Å; D515-Q518 VanDerWaalsContact O-N 3.09Å; D515-Q518 WeakPolarHBondContact OD2-CG 3.46Å; D515-Q518 PolarHBondContact OD2-NE2 2.77Å
516	L	98.1	Very high	97.2	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.9	-17.3	-169.7	-156.5	66.3	0	0	0	113.3	P489 Y512 Q518 L519 L684 G810	P489-L516 HydrophobicContact CB-CD1 3.68Å; P489-L516 HydrophobicContact CB-CD2 4.27Å; P489-L516 HydrophobicContact CG-CD1 4.15Å; P489-L516 HydrophobicContact CG-CD2 4.49Å; Y512-L516 HydrophobicContact CD2-CD1 4.16Å; Y512-L516 WeakPolarHBondContact O-CA 3.22Å; Y512-L516 PolarHBondContact O-N 2.95Å; L516-Q518 PolarHBondContact O-N 2.88Å; L516-L519 HydrophobicContact CD1-CD1 3.59Å; L516-L519 HydrophobicContact CD1-CG 4.05Å; L516-L519 HydrophobicContact CG-CD1 3.76Å; L516-L519 HydrophobicContact CG-CG 4.29Å; L516-L519 WeakPolarHBondContact O-CB 3.26Å; L516-L519 WeakPolarHBondContact O-CG 3.32Å; L516-L519 PolarHBondContact O-N 3.32Å; L516-L519 VanDerWaalsContact O-N 3.1Å; L516-L684 HydrophobicContact CD1-CD1 4.35Å; L516-L684 HydrophobicContact CD2-CD1 4.28Å; L516-G810 VanDerWaalsContact O-CA 3.24Å; L516-G810 WeakPolarHBondContact O-CA 3.42Å
517	D	97.7	Very high	97.3	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.8	175.3	-74.1	-32.7	0	0	0	112.6	D515 L519 K520 G810 K811	D515-D517 PolarHBondContact O-N 3.25Å; D515-D517 VanDerWaalsContact O-N 3.07Å; D517-L519 PolarHBondContact O-N 3.28Å; D517-K520 WeakPolarHBondContact O-CB 3.29Å; D517-K520 PolarHBondContact O-N 2.95Å; D517-G810 VanDerWaalsContact OD1-C 3.24Å; D517-K811 PolarHBondContact OD1-N 3.34Å
518	Q	98.4	Very high	97.3	Very high	32 Å²	32	54.3 Å²	54.3	15%	0.15	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-64.8	-16.9	174.1	-62.7	-164.8	39.5	0	0	114	D515 L516 K520 K521	D515-Q518 HydrophobicContact CB-CG 4.34Å; D515-Q518 WeakPolarHBondContact O-CB 3.46Å; D515-Q518 WeakPolarHBondContact O-CG 3.13Å; D515-Q518 PolarHBondContact O-N 3.26Å; D515-Q518 VanDerWaalsContact O-N 3.09Å; D515-Q518 WeakPolarHBondContact OD2-CG 3.46Å; D515-Q518 PolarHBondContact OD2-NE2 2.77Å; L516-Q518 PolarHBondContact O-N 2.88Å; Q518-K520 PolarHBondContact O-N 2.83Å; Q518-K520 VanDerWaalsContact O-N 3.09Å; Q518-K521 HydrophobicContact CB-CD 4.46Å; Q518-K521 VanDerWaalsContact O-CB 3.3Å; Q518-K521 WeakPolarHBondContact O-CB 3.43Å; Q518-K521 WeakPolarHBondContact O-CG 3.31Å; Q518-K521 PolarHBondContact O-N 2.86Å
519	L	98.5	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58	-22.1	173	-67.3	-177.5	0	0	0	112.5	I504 I508 Y512 L516 D517 K521 L522 L684 I806 A807	I504-L519 HydrophobicContact CD1-CD2 4.16Å; I504-L519 HydrophobicContact CG2-CD2 3.76Å; I508-L519 HydrophobicContact CD1-CD2 4.22Å; Y512-L519 HydrophobicContact CD2-CD2 3.79Å; Y512-L519 HydrophobicContact CD2-CG 4.47Å; Y512-L519 HydrophobicContact CE2-CD2 4.44Å; Y512-L519 HydrophobicContact CG-CD2 4.11Å; L516-L519 HydrophobicContact CD1-CD1 3.59Å; L516-L519 HydrophobicContact CD1-CG 4.05Å; L516-L519 HydrophobicContact CG-CD1 3.76Å; L516-L519 HydrophobicContact CG-CG 4.29Å; L516-L519 WeakPolarHBondContact O-CB 3.26Å; L516-L519 WeakPolarHBondContact O-CG 3.32Å; L516-L519 PolarHBondContact O-N 3.32Å; L516-L519 VanDerWaalsContact O-N 3.1Å; D517-L519 PolarHBondContact O-N 3.28Å; L519-K521 PolarHBondContact O-N 3.21Å; L519-K521 VanDerWaalsContact O-N 3.15Å; L519-L522 HydrophobicContact CB-CD1 4.5Å; L519-L522 HydrophobicContact CD2-CD1 3.96Å; L519-L522 VanDerWaalsContact O-CB 3.24Å; L519-L522 WeakPolarHBondContact O-CB 3.29Å; L519-L522 VanDerWaalsContact O-CG 3.29Å; L519-L522 WeakPolarHBondContact O-CG 3.42Å; L519-L522 PolarHBondContact O-N 3.45Å; L519-L684 HydrophobicContact CD1-CD1 3.69Å; L519-I806 HydrophobicContact CD1-CG2 4.49Å; L519-A807 WeakPolarHBondContact O-CA 3.41Å; L519-A807 WeakPolarHBondContact O-CB 3.36Å
520	K	98	Very high	97.4	Very high	101 Å²	101	57.9 Å²	57.9	44%	0.439	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56.8	-28.2	173.4	-72	-175.2	176.6	-177.8	0	113.2	D517 Q518 L522 L523 E703 A807	D517-K520 WeakPolarHBondContact O-CB 3.29Å; D517-K520 PolarHBondContact O-N 2.95Å; Q518-K520 PolarHBondContact O-N 2.83Å; Q518-K520 VanDerWaalsContact O-N 3.09Å; K520-L522 PolarHBondContact O-N 3.44Å; K520-L522 VanDerWaalsContact O-N 3.15Å; K520-L523 WeakPolarHBondContact O-CB 3.26Å; K520-L523 VanDerWaalsContact O-CG 3.3Å; K520-L523 WeakPolarHBondContact O-CG 3.29Å; K520-L523 PolarHBondContact O-N 3.42Å; K520-L523 VanDerWaalsContact O-N 3.12Å; K520-E703 IonicContact NZ-OE2 3.72Å; K520-A807 PolarHBondContact N-O 2.71Å
521	K	98.4	Very high	97.5	Very high	96 Å²	96	55.2 Å²	55.2	42%	0.417	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.9	-20.5	174.9	-64.1	172.2	-178.5	172.3	0	112.9	I508 Q518 L519 L523 D524	I508-K521 HydrophobicContact CB-CD 4.35Å; I508-K521 HydrophobicContact CG2-CB 3.74Å; I508-K521 HydrophobicContact CG2-CD 4.39Å; Q518-K521 HydrophobicContact CB-CD 4.46Å; Q518-K521 VanDerWaalsContact O-CB 3.3Å; Q518-K521 WeakPolarHBondContact O-CB 3.43Å; Q518-K521 WeakPolarHBondContact O-CG 3.31Å; Q518-K521 PolarHBondContact O-N 2.86Å; L519-K521 PolarHBondContact O-N 3.21Å; L519-K521 VanDerWaalsContact O-N 3.15Å; K521-L523 PolarHBondContact O-N 2.91Å; K521-D524 PolarHBondContact O-N 2.97Å
522	L	98.3	Very high	97.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67.8	-17.5	176.8	-60.7	178	0	0	0	113.1	I504 I508 L519 K520 D524 F525 F531 I806 A807	I504-L522 HydrophobicContact CD1-CD1 4.36Å; I504-L522 HydrophobicContact CG1-CD1 4.03Å; I504-L522 HydrophobicContact CG2-CD1 4.31Å; I504-L522 HydrophobicContact CG2-CD2 4.37Å; I508-L522 HydrophobicContact CD1-CD2 4.33Å; I508-L522 HydrophobicContact CD1-CG 4.45Å; I508-L522 HydrophobicContact CG1-CD2 4.49Å; I508-L522 HydrophobicContact CG2-CD2 3.88Å; L519-L522 HydrophobicContact CB-CD1 4.5Å; L519-L522 HydrophobicContact CD2-CD1 3.96Å; L519-L522 VanDerWaalsContact O-CB 3.24Å; L519-L522 WeakPolarHBondContact O-CB 3.29Å; L519-L522 VanDerWaalsContact O-CG 3.29Å; L519-L522 WeakPolarHBondContact O-CG 3.42Å; L519-L522 PolarHBondContact O-N 3.45Å; K520-L522 PolarHBondContact O-N 3.44Å; K520-L522 VanDerWaalsContact O-N 3.15Å; L522-D524 PolarHBondContact O-N 2.83Å; L522-F525 PolarHBondContact O-N 2.83Å; L522-F531 HydrophobicContact CD1-CZ 4.44Å; L522-F531 HydrophobicContact CD2-CE1 4.45Å; L522-F531 HydrophobicContact CD2-CE2 4.36Å; L522-F531 HydrophobicContact CD2-CZ 3.8Å; L522-F531 HydrophobicContact CG-CZ 4.5Å; L522-I806 HydrophobicContact CD1-CG2 3.91Å; L522-A807 HydrophobicContact CB-CB 4.11Å
523	L	97.8	Very high	97.7	Very high	72 Å²	72	58 Å²	58	38%	0.377	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.3	175.2	-66.4	175.7	0	0	0	112.1	K520 K521 F525 V526 H804 A807	K520-L523 WeakPolarHBondContact O-CB 3.26Å; K520-L523 VanDerWaalsContact O-CG 3.3Å; K520-L523 WeakPolarHBondContact O-CG 3.29Å; K520-L523 PolarHBondContact O-N 3.42Å; K520-L523 VanDerWaalsContact O-N 3.12Å; K521-L523 PolarHBondContact O-N 2.91Å; L523-F525 PolarHBondContact O-N 2.9Å; L523-V526 VanDerWaalsContact O-CG1 3.29Å; L523-V526 WeakPolarHBondContact O-CG1 3.39Å; L523-V526 PolarHBondContact O-N 3.13Å; L523-H804 VanDerWaalsContact CD2-ND1 3.35Å; L523-H804 WeakPolarHBondContact CD2-ND1 3.5Å; L523-A807 HydrophobicContact CD2-CB 3.72Å; L523-A807 HydrophobicContact CG-CB 3.84Å
524	D	97.8	Very high	97.8	Very high	140 Å²	140	59.4 Å²	59.4	75%	0.749	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.4	177.2	-63.1	-26.5	0	0	0	112.3	K521 L522	K521-D524 PolarHBondContact O-N 2.97Å; L522-D524 PolarHBondContact O-N 2.83Å
525	F	97.9	Very high	98	Very high	53 Å²	53	56.1 Å²	56.1	23%	0.232	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-104.2	6	-178.1	-58.2	-86.1	0	0	0	113.2	R507 I508 L522 L523 N527 D528 F531	R507-F525 HydrophobicContact CB-CE2 4.19Å; R507-F525 HydrophobicContact CB-CZ 4.21Å; I508-F525 HydrophobicContact CG2-CE2 4.41Å; L522-F525 PolarHBondContact O-N 2.83Å; L523-F525 PolarHBondContact O-N 2.9Å; F525-N527 PolarHBondContact O-N 3.33Å; F525-N527 VanDerWaalsContact O-N 3.17Å; F525-D528 HydrophobicContact CB-CB 4.21Å; F525-D528 HydrophobicContact CD1-CB 4.42Å; F525-D528 WeakPolarHBondContact O-CB 3.27Å; F525-D528 PolarHBondContact O-N 2.75Å; F525-F531 HydrophobicContact CB-CB 4.2Å; F525-F531 HydrophobicContact CB-CD1 3.62Å; F525-F531 HydrophobicContact CB-CE1 4.18Å; F525-F531 HydrophobicContact CB-CG 3.96Å
526	V	97.2	Very high	98.1	Very high	15 Å²	15	54.6 Å²	54.6	9%	0.091	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.8	-176.7	75	0	0	0	0	113.5	L523 I532 K800 I803	L523-V526 VanDerWaalsContact O-CG1 3.29Å; L523-V526 WeakPolarHBondContact O-CG1 3.39Å; L523-V526 PolarHBondContact O-N 3.13Å; V526-I532 WeakPolarHBondContact O-CD1 3.3Å; V526-K800 HydrophobicContact CG2-CB 4.13Å; V526-K800 HydrophobicContact CG2-CG 4.26Å; V526-K800 WeakPolarHBondContact O-CG 3.41Å; V526-I803 HydrophobicContact CB-CG2 4.28Å; V526-I803 HydrophobicContact CG2-CB 4.37Å; V526-I803 HydrophobicContact CG2-CG2 4.16Å
527	N	97.4	Very high	98.1	Very high	115 Å²	115	59.8 Å²	59.8	62%	0.615	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	6.5	175.4	-66.8	-54	0	0	0	113	F525 D529 K800	F525-N527 PolarHBondContact O-N 3.33Å; F525-N527 VanDerWaalsContact O-N 3.17Å; N527-D529 PolarHBondContact O-N 3.37Å; N527-K800 WeakPolarHBondContact OD1-CE 3.45Å; N527-K800 PolarHBondContact OD1-NZ 2.78Å
528	D	98.2	Very high	98.1	Very high	62 Å²	62	57 Å²	57	33%	0.332	29%	0.285	S	S	.	.			trans	-79.4	114.4	176	-176.4	-65.1	0	0	0	110	F525 A530 F531 I532	F525-D528 HydrophobicContact CB-CB 4.21Å; F525-D528 HydrophobicContact CD1-CB 4.42Å; F525-D528 WeakPolarHBondContact O-CB 3.27Å; F525-D528 PolarHBondContact O-N 2.75Å; D528-A530 VanDerWaalsContact C-N 3.26Å; D528-A530 PolarHBondContact O-N 3.07Å; D528-A530 WeakPolarHBondContact OD1-CA 3.25Å; D528-A530 VanDerWaalsContact OD1-CB 3.3Å; D528-A530 WeakPolarHBondContact OD1-CB 3.48Å; D528-A530 PolarHBondContact OD1-N 2.66Å; D528-F531 HydrophobicContact CB-CB 4Å; D528-F531 PolarHBondContact O-N 2.74Å; D528-F531 PolarHBondContact OD1-N 3.44Å; D528-I532 VanDerWaalsContact O-CG1 3.25Å; D528-I532 WeakPolarHBondContact O-CG1 3.44Å; D528-I532 PolarHBondContact O-N 3.3Å
529	D	98	Very high	98.2	Very high	100 Å²	100	56.7 Å²	56.7	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-27.8	-176.6	-77.6	-26.8	0	0	0	113.4	N527 R533 K796	N527-D529 PolarHBondContact O-N 3.37Å; D529-R533 WeakPolarHBondContact O-CB 3.3Å; D529-R533 PolarHBondContact O-N 2.91Å; D529-K796 WeakPolarHBondContact OD1-CE 3.48Å; D529-K796 IonicContact OD1-NZ 3.65Å; D529-K796 PolarHBondContact OD1-NZ 2.87Å; D529-K796 IonicContact OD2-NZ 2.92Å
530	A	97.8	Very high	98.2	Very high	32 Å²	32	59.6 Å²	59.6	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-72.8	-46.6	176.2	0	0	0	0	0	110.4	D528 R533 D534	D528-A530 VanDerWaalsContact C-N 3.26Å; D528-A530 PolarHBondContact O-N 3.07Å; D528-A530 WeakPolarHBondContact OD1-CA 3.25Å; D528-A530 VanDerWaalsContact OD1-CB 3.3Å; D528-A530 WeakPolarHBondContact OD1-CB 3.48Å; D528-A530 PolarHBondContact OD1-N 2.66Å; A530-R533 WeakPolarHBondContact O-CB 3.48Å; A530-R533 PolarHBondContact O-N 2.77Å; A530-D534 PolarHBondContact O-N 2.51Å
531	F	98.1	Very high	98.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-43.5	178.1	-172.2	-116.2	0	0	0	112.2	V503 R507 L522 F525 D528 R533 D534 V535 I803	V503-F531 HydrophobicContact CG1-CD2 3.98Å; V503-F531 HydrophobicContact CG1-CE2 3.66Å; R507-F531 HydrophobicContact CG-CD2 3.9Å; R507-F531 HydrophobicContact CG-CE2 4.04Å; L522-F531 HydrophobicContact CD1-CZ 4.44Å; L522-F531 HydrophobicContact CD2-CE1 4.45Å; L522-F531 HydrophobicContact CD2-CE2 4.36Å; L522-F531 HydrophobicContact CD2-CZ 3.8Å; L522-F531 HydrophobicContact CG-CZ 4.5Å; F525-F531 HydrophobicContact CB-CB 4.2Å; F525-F531 HydrophobicContact CB-CD1 3.62Å; F525-F531 HydrophobicContact CB-CE1 4.18Å; F525-F531 HydrophobicContact CB-CG 3.96Å; D528-F531 HydrophobicContact CB-CB 4Å; D528-F531 PolarHBondContact O-N 2.74Å; D528-F531 PolarHBondContact OD1-N 3.44Å; F531-R533 VanDerWaalsContact C-N 3.3Å; F531-R533 PolarHBondContact O-N 3.44Å; F531-D534 PolarHBondContact O-N 3.34Å; F531-V535 HydrophobicContact CD1-CG2 4.37Å; F531-V535 HydrophobicContact CD2-CG2 4.37Å; F531-V535 HydrophobicContact CE1-CG2 4.02Å; F531-V535 HydrophobicContact CE2-CG2 4.04Å; F531-V535 HydrophobicContact CZ-CG2 3.83Å; F531-V535 WeakPolarHBondContact O-CG2 3.36Å; F531-V535 PolarHBondContact O-N 3.39Å; F531-I803 HydrophobicContact CD1-CD1 3.72Å; F531-I803 HydrophobicContact CD1-CG1 4.26Å; F531-I803 HydrophobicContact CE1-CD1 3.84Å; F531-I803 HydrophobicContact CE1-CG1 3.85Å; F531-I803 HydrophobicContact CE1-CG2 3.88Å
532	I	98.6	Very high	98.2	Very high	12 Å²	12	56 Å²	56	6%	0.062	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-47.4	173.3	-69	166.5	0	0	0	110.6	V526 D528 A536 K796 T799 K800 I803	V526-I532 WeakPolarHBondContact O-CD1 3.3Å; D528-I532 VanDerWaalsContact O-CG1 3.25Å; D528-I532 WeakPolarHBondContact O-CG1 3.44Å; D528-I532 PolarHBondContact O-N 3.3Å; I532-A536 WeakPolarHBondContact O-CB 3.2Å; I532-A536 PolarHBondContact O-N 2.9Å; I532-K796 HydrophobicContact CD1-CG 4.44Å; I532-K796 HydrophobicContact CG2-CG 4.48Å; I532-T799 HydrophobicContact CB-CG2 4.49Å; I532-T799 HydrophobicContact CG2-CG2 3.88Å; I532-T799 WeakPolarHBondContact O-CG2 3.49Å; I532-K800 HydrophobicContact CD1-CG 4.07Å; I532-I803 HydrophobicContact CG1-CD1 3.94Å
533	R	98.5	Very high	98.2	Very high	156 Å²	156	56 Å²	56	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-63.7	-42.2	179.4	-179	-174.7	62.4	-138.3	-7.4	111.7	D529 A530 F531 A536 K537	D529-R533 WeakPolarHBondContact O-CB 3.3Å; D529-R533 PolarHBondContact O-N 2.91Å; A530-R533 WeakPolarHBondContact O-CB 3.48Å; A530-R533 PolarHBondContact O-N 2.77Å; F531-R533 VanDerWaalsContact C-N 3.3Å; F531-R533 PolarHBondContact O-N 3.44Å; R533-A536 PolarHBondContact O-N 3.19Å; R533-K537 VanDerWaalsContact O-CB 3.27Å; R533-K537 WeakPolarHBondContact O-CB 3.48Å; R533-K537 PolarHBondContact O-N 3.39Å
534	D	98.4	Very high	98.3	Very high	30 Å²	30	56.7 Å²	56.7	16%	0.16	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-43.3	-177.8	-63.9	-20.3	0	0	0	111	V503 R507 A530 F531 A536 K537 I538	V503-D534 HydrophobicContact CG1-CB 3.99Å; V503-D534 HydrophobicContact CG2-CB 4.23Å; R507-D534 IonicContact NH2-OD2 3.98Å; R507-D534 PolarHBondContact NH2-OD2 3.01Å; A530-D534 PolarHBondContact O-N 2.51Å; F531-D534 PolarHBondContact O-N 3.34Å; D534-A536 PolarHBondContact O-N 3.42Å; D534-K537 WeakPolarHBondContact O-CB 3.31Å; D534-K537 PolarHBondContact O-N 2.75Å; D534-I538 WeakPolarHBondContact O-CG1 3.26Å; D534-I538 PolarHBondContact O-N 3Å
535	V	98.6	Very high	98.2	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-45.9	174.4	172.9	0	0	0	0	111.5	V503 F531 K537 I538 K539 T799 V802 I803	V503-V535 HydrophobicContact CG1-CG2 4.31Å; F531-V535 HydrophobicContact CD1-CG2 4.37Å; F531-V535 HydrophobicContact CD2-CG2 4.37Å; F531-V535 HydrophobicContact CE1-CG2 4.02Å; F531-V535 HydrophobicContact CE2-CG2 4.04Å; F531-V535 HydrophobicContact CZ-CG2 3.83Å; F531-V535 WeakPolarHBondContact O-CG2 3.36Å; F531-V535 PolarHBondContact O-N 3.39Å; V535-K537 VanDerWaalsContact C-N 3.33Å; V535-K537 PolarHBondContact O-N 3.27Å; V535-I538 PolarHBondContact O-N 2.95Å; V535-K539 PolarHBondContact O-N 3.03Å; V535-K539 VanDerWaalsContact O-N 3.17Å; V535-T799 HydrophobicContact CB-CG2 4.1Å; V535-T799 HydrophobicContact CG1-CG2 3.96Å; V535-V802 HydrophobicContact CG1-CG1 4.1Å; V535-I803 HydrophobicContact CG1-CG1 4.41Å; V535-I803 HydrophobicContact CG2-CD1 4.47Å; V535-I803 HydrophobicContact CG2-CG1 4.23Å
536	A	98.5	Very high	98.2	Very high	39 Å²	39	53.6 Å²	53.6	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-39.3	177.4	0	0	0	0	0	112.2	I532 R533 D534 K539 Q540 T799	I532-A536 WeakPolarHBondContact O-CB 3.2Å; I532-A536 PolarHBondContact O-N 2.9Å; R533-A536 PolarHBondContact O-N 3.19Å; D534-A536 PolarHBondContact O-N 3.42Å; A536-K539 PolarHBondContact O-N 2.96Å; A536-Q540 PolarHBondContact O-N 3.31Å; A536-T799 HydrophobicContact CB-CG2 4.36Å
537	K	98.5	Very high	98.3	Very high	114 Å²	114	53.4 Å²	53.4	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-48.9	177.2	176.8	-174	166.1	-166.5	0	111.4	R533 D534 V535 K539 Q540 E541	R533-K537 VanDerWaalsContact O-CB 3.27Å; R533-K537 WeakPolarHBondContact O-CB 3.48Å; R533-K537 PolarHBondContact O-N 3.39Å; D534-K537 WeakPolarHBondContact O-CB 3.31Å; D534-K537 PolarHBondContact O-N 2.75Å; V535-K537 VanDerWaalsContact C-N 3.33Å; V535-K537 PolarHBondContact O-N 3.27Å; K537-K539 VanDerWaalsContact C-N 3.31Å; K537-K539 PolarHBondContact O-N 3.14Å; K537-Q540 WeakPolarHBondContact O-CB 3.43Å; K537-Q540 PolarHBondContact O-N 3.22Å; K537-Q540 VanDerWaalsContact O-N 3.12Å; K537-E541 WeakPolarHBondContact CE-OE1 3.38Å; K537-E541 IonicContact NZ-OE1 3.29Å; K537-E541 WeakPolarHBondContact O-CG 3.12Å; K537-E541 PolarHBondContact O-N 2.89Å
538	I	98.4	Very high	98.2	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-41.9	178.6	-65	-53.3	0	0	0	111.2	L500 V503 D534 V535 Q540 E541 N542	L500-I538 HydrophobicContact CB-CG2 3.99Å; V503-I538 HydrophobicContact CG2-CD1 4.34Å; V503-I538 HydrophobicContact CG2-CG1 3.88Å; D534-I538 WeakPolarHBondContact O-CG1 3.26Å; D534-I538 PolarHBondContact O-N 3Å; V535-I538 PolarHBondContact O-N 2.95Å; I538-Q540 VanDerWaalsContact C-N 3.31Å; I538-Q540 PolarHBondContact O-N 2.83Å; I538-E541 PolarHBondContact O-N 3.41Å; I538-N542 PolarHBondContact O-N 3.35Å; I538-N542 PolarHBondContact O-ND2 3.39Å
539	K	98.8	Very high	98.1	Very high	25 Å²	25	48.7 Å²	48.7	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-45.4	174.7	-177.9	59.8	59.6	179.4	0	111.3	V535 A536 K537 N542 K543 P659 A661 D662 N685	V535-K539 PolarHBondContact O-N 3.03Å; V535-K539 VanDerWaalsContact O-N 3.17Å; A536-K539 PolarHBondContact O-N 2.96Å; K537-K539 VanDerWaalsContact C-N 3.31Å; K537-K539 PolarHBondContact O-N 3.14Å; K539-N542 PolarHBondContact O-N 3.45Å; K539-K543 HydrophobicContact CD-CD 4.33Å; K539-K543 HydrophobicContact CD-CG 4.47Å; K539-K543 HydrophobicContact CG-CD 4.1Å; K539-K543 VanDerWaalsContact O-CG 3.28Å; K539-K543 WeakPolarHBondContact O-CG 3.45Å; K539-K543 PolarHBondContact O-N 3.04Å; K539-P659 PolarHBondContact NZ-O 3.32Å; K539-A661 WeakPolarHBondContact CE-O 3.47Å; K539-A661 PolarHBondContact NZ-O 3.45Å; K539-D662 WeakPolarHBondContact CG-OD1 3.45Å; K539-N685 PolarHBondContact NZ-O 2.88Å
540	Q	98.6	Very high	97.9	Very high	60 Å²	60	44 Å²	44	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-40	178.8	-168.7	60.3	36	0	0	112.7	A536 K537 I538 K543 L544 P560	A536-Q540 PolarHBondContact O-N 3.31Å; K537-Q540 WeakPolarHBondContact O-CB 3.43Å; K537-Q540 PolarHBondContact O-N 3.22Å; K537-Q540 VanDerWaalsContact O-N 3.12Å; I538-Q540 VanDerWaalsContact C-N 3.31Å; I538-Q540 PolarHBondContact O-N 2.83Å; Q540-K543 PolarHBondContact O-N 2.81Å; Q540-L544 HydrophobicContact CG-CD1 4.42Å; Q540-L544 WeakPolarHBondContact O-CG 3.23Å; Q540-L544 PolarHBondContact O-N 3.01Å; Q540-P560 PolarHBondContact NE2-O 3.2Å
541	E	98.6	Very high	97.7	Very high	91 Å²	91	47 Å²	47	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-45	175	-72	175.3	177.6	0	0	111.5	K537 I538 K543 L544 K545	K537-E541 WeakPolarHBondContact CE-OE1 3.38Å; K537-E541 IonicContact NZ-OE1 3.29Å; K537-E541 WeakPolarHBondContact O-CG 3.12Å; K537-E541 PolarHBondContact O-N 2.89Å; I538-E541 PolarHBondContact O-N 3.41Å; E541-K543 VanDerWaalsContact C-N 3.34Å; E541-K543 PolarHBondContact O-N 2.71Å; E541-L544 PolarHBondContact O-N 2.78Å; E541-K545 PolarHBondContact O-N 3.36Å
542	N	98.6	Very high	97.4	Very high	30 Å²	30	53 Å²	53	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-40.6	176.1	-70.3	-21.6	0	0	0	111.9	N497 I538 K539 K545 F546 P659 A660	N497-N542 PolarHBondContact OD1-ND2 2.86Å; I538-N542 PolarHBondContact O-N 3.35Å; I538-N542 PolarHBondContact O-ND2 3.39Å; K539-N542 PolarHBondContact O-N 3.45Å; N542-K545 PolarHBondContact O-N 2.85Å; N542-F546 WeakPolarHBondContact O-CB 3.44Å; N542-F546 PolarHBondContact O-N 3.24Å; N542-P659 HydrophobicContact CB-CB 4.24Å; N542-P659 WeakPolarHBondContact CB-O 3.3Å; N542-P659 PolarHBondContact ND2-O 3.35Å; N542-A660 HydrophobicContact CB-CB 4.49Å
543	K	98.8	Very high	96.8	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175.6	-73.2	172.7	66.7	170.9	0	112.3	K539 Q540 E541 F546 A547 P560 S562 F564 A660 D662 Y792	K539-K543 HydrophobicContact CD-CD 4.33Å; K539-K543 HydrophobicContact CD-CG 4.47Å; K539-K543 HydrophobicContact CG-CD 4.1Å; K539-K543 VanDerWaalsContact O-CG 3.28Å; K539-K543 WeakPolarHBondContact O-CG 3.45Å; K539-K543 PolarHBondContact O-N 3.04Å; Q540-K543 PolarHBondContact O-N 2.81Å; E541-K543 VanDerWaalsContact C-N 3.34Å; E541-K543 PolarHBondContact O-N 2.71Å; K543-F546 PolarHBondContact O-N 2.79Å; K543-A547 WeakPolarHBondContact O-CB 3.17Å; K543-A547 PolarHBondContact O-N 3.45Å; K543-P560 WeakPolarHBondContact CE-O 2.96Å; K543-P560 PolarHBondContact NZ-O 3.19Å; K543-S562 WeakPolarHBondContact CE-O 3.44Å; K543-S562 PolarHBondContact NZ-O 3.04Å; K543-F564 HydrophobicContact CB-CD2 4.33Å; K543-F564 HydrophobicContact CB-CE2 3.89Å; K543-F564 HydrophobicContact CB-CZ 4.21Å; K543-F564 HydrophobicContact CD-CD2 4.49Å; K543-F564 HydrophobicContact CG-CD2 3.8Å; K543-F564 HydrophobicContact CG-CE2 3.88Å; K543-F564 HydrophobicContact CG-CG 4.32Å; K543-F564 HydrophobicContact CG-CZ 4.46Å; K543-A660 HydrophobicContact CG-CB 4.46Å; K543-A660 WeakPolarHBondContact CG-O 2.95Å; K543-D662 VanDerWaalsContact CE-OD2 3.31Å; K543-D662 WeakPolarHBondContact CE-OD2 3.32Å; K543-D662 IonicContact NZ-OD1 3.76Å; K543-D662 IonicContact NZ-OD2 3.9Å; K543-D662 PolarHBondContact NZ-OD2 3.04Å; K543-Y792 PolarHBondContact NZ-OH 3.16Å; K543-Y792 VanDerWaalsContact NZ-OH 3.07Å
544	L	98.5	Very high	96.2	Very high	87 Å²	87	53 Å²	53	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.6	-72.5	167.7	0	0	0	111.5	Q540 E541 F546 A547 A548 P560	Q540-L544 HydrophobicContact CG-CD1 4.42Å; Q540-L544 WeakPolarHBondContact O-CG 3.23Å; Q540-L544 PolarHBondContact O-N 3.01Å; E541-L544 PolarHBondContact O-N 2.78Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 3.07Å; L544-A547 PolarHBondContact O-N 3.3Å; L544-A548 PolarHBondContact O-N 3.38Å; L544-P560 HydrophobicContact CD2-CB 3.76Å; L544-P560 HydrophobicContact CD2-CG 3.74Å; L544-P560 HydrophobicContact CG-CB 4.45Å
545	K	96.9	Very high	95.8	Very high	123 Å²	123	59.4 Å²	59.4	54%	0.535	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-43.1	176.5	-169.8	171	-174.1	169.3	0	111.3	E121 E541 N542 A548 H549	E121-K545 IonicContact OE1-NZ 3.95Å; E121-K545 PolarHBondContact OE1-NZ 3Å; E121-K545 IonicContact OE2-NZ 2.83Å; E121-K545 PolarHBondContact OE2-NZ 3.28Å; E541-K545 PolarHBondContact O-N 3.36Å; N542-K545 PolarHBondContact O-N 2.85Å; K545-A548 PolarHBondContact O-N 2.81Å; K545-H549 PolarHBondContact O-N 2.76Å
546	F	98.1	Very high	95.3	Very high	5 Å²	5	61 Å²	61	2%	0.022	30%	0.3	C	S	.	.	H	α-helix	trans	-70.8	-38.7	179	-168.5	-110.1	0	0	0	113.2	N542 K543 L544 A548 H549 L550 F564 M605 L646 L653 K656 V657 A660	N542-F546 WeakPolarHBondContact O-CB 3.44Å; N542-F546 PolarHBondContact O-N 3.24Å; K543-F546 PolarHBondContact O-N 2.79Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 3.07Å; F546-A548 VanDerWaalsContact C-N 3.34Å; F546-A548 PolarHBondContact O-N 2.92Å; F546-H549 WeakPolarHBondContact O-CB 3.31Å; F546-H549 PolarHBondContact O-N 3.16Å; F546-L550 HydrophobicContact CD1-CD1 4.03Å; F546-L550 HydrophobicContact CD1-CG 4.34Å; F546-L550 HydrophobicContact CE1-CD1 3.62Å; F546-L550 HydrophobicContact CE1-CD2 4.29Å; F546-L550 HydrophobicContact CE1-CG 3.95Å; F546-L550 HydrophobicContact CZ-CD1 4.26Å; F546-L550 HydrophobicContact CZ-CD2 4.09Å; F546-L550 HydrophobicContact CZ-CG 4.16Å; F546-L550 PolarHBondContact O-N 3.44Å; F546-F564 HydrophobicContact CD1-CE2 4.16Å; F546-M605 HydrophobicContact CD1-SD 4.29Å; F546-M605 HydrophobicContact CE1-SD 3.59Å; F546-M605 VanDerWaalsContact CE1-SD 3.59Å; F546-L646 HydrophobicContact CE1-CD2 4.5Å; F546-L646 HydrophobicContact CZ-CD1 4.36Å; F546-L646 HydrophobicContact CZ-CD2 4.13Å; F546-L653 HydrophobicContact CE2-CD1 4.23Å; F546-K656 HydrophobicContact CD2-CB 4Å; F546-K656 HydrophobicContact CE2-CB 4.07Å; F546-V657 HydrophobicContact CE1-CB 4.34Å; F546-V657 HydrophobicContact CE1-CG2 3.87Å; F546-V657 HydrophobicContact CE2-CB 3.84Å; F546-V657 HydrophobicContact CE2-CG2 4.28Å; F546-V657 HydrophobicContact CZ-CB 3.72Å; F546-V657 HydrophobicContact CZ-CG2 3.68Å; F546-A660 HydrophobicContact CB-CB 3.6Å; F546-A660 HydrophobicContact CD1-CB 4.3Å; F546-A660 HydrophobicContact CG-CB 4Å
547	A	97.9	Very high	95	Very high	12 Å²	12	66.7 Å²	66.7	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-43	173.7	0	0	0	0	0	111.7	K543 L544 L550 E551 I558 P560	K543-A547 WeakPolarHBondContact O-CB 3.17Å; K543-A547 PolarHBondContact O-N 3.45Å; L544-A547 PolarHBondContact O-N 3.3Å; A547-L550 PolarHBondContact O-N 3.12Å; A547-E551 PolarHBondContact O-N 3.49Å; A547-I558 HydrophobicContact CB-CD1 4.04Å; A547-I558 HydrophobicContact CB-CG1 3.78Å; A547-P560 HydrophobicContact CB-CB 4.41Å
548	A	96.7	Very high	94.9	Very high	54 Å²	54	61.9 Å²	61.9	45%	0.446	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-41.5	174.3	0	0	0	0	0	111.9	L544 K545 F546 L550 E551 E552	L544-A548 PolarHBondContact O-N 3.38Å; K545-A548 PolarHBondContact O-N 2.81Å; F546-A548 VanDerWaalsContact C-N 3.34Å; F546-A548 PolarHBondContact O-N 2.92Å; A548-L550 VanDerWaalsContact C-N 3.35Å; A548-L550 PolarHBondContact O-N 3.02Å; A548-E551 PolarHBondContact O-N 3.23Å; A548-E552 WeakPolarHBondContact O-CB 3.21Å; A548-E552 PolarHBondContact O-N 2.98Å
549	H	94.4	Very high	94.9	Very high	23 Å²	23	62.6 Å²	62.6	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-44.2	175.4	178.5	69.3	0	0	0	112.3	K545 F546 E552 H553	K545-H549 PolarHBondContact O-N 2.76Å; F546-H549 WeakPolarHBondContact O-CB 3.31Å; F546-H549 PolarHBondContact O-N 3.16Å; H549-E552 PolarHBondContact O-N 3.28Å; H549-H553 AromaticContact CE1-CD2 3.92Å; H549-H553 AromaticContact CE1-CE1 3.72Å; H549-H553 AromaticContact CE1-CG 3.64Å; H549-H553 AromaticContact CE1-ND1 3.49Å; H549-H553 PolarHBondContact CE1-ND1 2.89Å; H549-H553 AromaticContact CE1-NE2 3.95Å; H549-H553 AromaticContact ND1-CE1 3.49Å; H549-H553 PolarHBondContact ND1-CE1 2.9Å; H549-H553 AromaticContact ND1-CG 3.88Å; H549-H553 AromaticContact ND1-ND1 3.25Å; H549-H553 PolarHBondContact ND1-ND1 2.88Å; H549-H553 WeakPolarHBondContact O-CB 3.29Å; H549-H553 PolarHBondContact O-N 3.17Å; H549-H553 PolarHBondContact O-ND1 2.82Å
550	L	94.6	Very high	94.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-39.6	177	-70.9	178.9	0	0	0	112.8	F546 A547 A548 Y554 K555 V556 I558 M605 L646	F546-L550 HydrophobicContact CD1-CD1 4.03Å; F546-L550 HydrophobicContact CD1-CG 4.34Å; F546-L550 HydrophobicContact CE1-CD1 3.62Å; F546-L550 HydrophobicContact CE1-CD2 4.29Å; F546-L550 HydrophobicContact CE1-CG 3.95Å; F546-L550 HydrophobicContact CZ-CD1 4.26Å; F546-L550 HydrophobicContact CZ-CD2 4.09Å; F546-L550 HydrophobicContact CZ-CG 4.16Å; F546-L550 PolarHBondContact O-N 3.44Å; A547-L550 PolarHBondContact O-N 3.12Å; A548-L550 VanDerWaalsContact C-N 3.35Å; A548-L550 PolarHBondContact O-N 3.02Å; L550-Y554 HydrophobicContact CD2-CD2 3.75Å; L550-Y554 HydrophobicContact CD2-CE2 4.21Å; L550-Y554 CarbonylContact O-C 3.01Å; L550-Y554 WeakPolarHBondContact O-CA 3.33Å; L550-Y554 WeakPolarHBondContact O-CB 3.42Å; L550-Y554 PolarHBondContact O-N 2.96Å; L550-K555 PolarHBondContact O-N 2.87Å; L550-K555 VanDerWaalsContact O-N 3.09Å; L550-V556 CarbonylContact C-O 3.36Å; L550-V556 PolarHBondContact O-N 2.87Å; L550-I558 HydrophobicContact CD1-CD1 3.66Å; L550-I558 HydrophobicContact CD1-CG1 4.39Å; L550-M605 HydrophobicContact CD1-SD 4.45Å; L550-L646 HydrophobicContact CD2-CD2 3.83Å
551	E	94.3	Very high	94.8	Very high	97 Å²	97	65.3 Å²	65.3	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-68.5	-39.4	176.9	-173.2	166.1	-163	0	0	111.8	A547 A548 K555 V556	A547-E551 PolarHBondContact O-N 3.49Å; A548-E551 PolarHBondContact O-N 3.23Å; E551-K555 VanDerWaalsContact O-CA 3.3Å; E551-K555 WeakPolarHBondContact O-CA 3.19Å; E551-K555 WeakPolarHBondContact O-CD 3.34Å; E551-K555 PolarHBondContact O-N 2.96Å; E551-V556 WeakPolarHBondContact CA-O 3.29Å; E551-V556 PolarHBondContact N-O 2.81Å
552	E	91.1	Very high	94.7	Very high	129 Å²	129	61 Å²	61	60%	0.603	30%	0.3	S	S	*	.	H	α-helix	trans	-69.5	-49.9	179.5	-176.8	-180	-165	0	0	112.3	A548 H549 K555	A548-E552 WeakPolarHBondContact O-CB 3.21Å; A548-E552 PolarHBondContact O-N 2.98Å; H549-E552 PolarHBondContact O-N 3.28Å; E552-K555 PolarHBondContact O-NZ 2.79Å
553	H	85.6	Confident	94.8	Very high	98 Å²	98	59.5 Å²	59.5	45%	0.454	29%	0.292	S	S	.	.	H	α-helix	trans	-92.5	-33.1	-168.5	-68.5	72	0	0	0	113.4	H549	H549-H553 AromaticContact CE1-CD2 3.92Å; H549-H553 AromaticContact CE1-CE1 3.72Å; H549-H553 AromaticContact CE1-CG 3.64Å; H549-H553 AromaticContact CE1-ND1 3.49Å; H549-H553 PolarHBondContact CE1-ND1 2.89Å; H549-H553 AromaticContact CE1-NE2 3.95Å; H549-H553 AromaticContact ND1-CE1 3.49Å; H549-H553 PolarHBondContact ND1-CE1 2.9Å; H549-H553 AromaticContact ND1-CG 3.88Å; H549-H553 AromaticContact ND1-ND1 3.25Å; H549-H553 PolarHBondContact ND1-ND1 2.88Å; H549-H553 WeakPolarHBondContact O-CB 3.29Å; H549-H553 PolarHBondContact O-N 3.17Å; H549-H553 PolarHBondContact O-ND1 2.82Å
554	Y	86	Confident	94.8	Very high	69 Å²	69	59.5 Å²	59.5	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-116.2	-3.6	-174.5	-58.3	-80	0	0	0	112.9	L550 V556 E647	L550-Y554 HydrophobicContact CD2-CD2 3.75Å; L550-Y554 HydrophobicContact CD2-CE2 4.21Å; L550-Y554 CarbonylContact O-C 3.01Å; L550-Y554 WeakPolarHBondContact O-CA 3.33Å; L550-Y554 WeakPolarHBondContact O-CB 3.42Å; L550-Y554 PolarHBondContact O-N 2.96Å; Y554-V556 WeakPolarHBondContact O-CG2 3.37Å; Y554-V556 PolarHBondContact O-N 3Å; Y554-E647 HydrophobicContact CE1-CB 3.88Å; Y554-E647 PolarHBondContact OH-O 3.13Å
555	K	90.1	Very high	94.8	Very high	165 Å²	165	55.3 Å²	55.3	72%	0.717	27%	0.27	S	S	*	.			trans	57.8	29.1	-178.9	-50.7	-49.6	-174	-163.4	0	113.3	L550 E551 E552	L550-K555 PolarHBondContact O-N 2.87Å; L550-K555 VanDerWaalsContact O-N 3.09Å; E551-K555 VanDerWaalsContact O-CA 3.3Å; E551-K555 WeakPolarHBondContact O-CA 3.19Å; E551-K555 WeakPolarHBondContact O-CD 3.34Å; E551-K555 PolarHBondContact O-N 2.96Å; E552-K555 PolarHBondContact O-NZ 2.79Å
556	V	88.5	Confident	94.9	Very high	43 Å²	43	49.5 Å²	49.5	26%	0.261	25%	0.245	S	C	.	.			trans	-107.3	118.4	178.6	179.2	0	0	0	0	109.4	L550 E551 Y554 I558 I644	L550-V556 CarbonylContact C-O 3.36Å; L550-V556 PolarHBondContact O-N 2.87Å; E551-V556 WeakPolarHBondContact CA-O 3.29Å; E551-V556 PolarHBondContact N-O 2.81Å; Y554-V556 WeakPolarHBondContact O-CG2 3.37Å; Y554-V556 PolarHBondContact O-N 3Å; V556-I558 HydrophobicContact CG1-CG2 3.96Å; V556-I644 HydrophobicContact CG1-CD1 3.44Å; V556-I644 VanDerWaalsContact CG1-CD1 3.44Å; V556-I644 HydrophobicContact CG1-CG1 4.18Å
557	K	92.8	Very high	94.9	Very high	157 Å²	157	49.2 Å²	49.2	68%	0.683	24%	0.244	S	C	*	.			trans	-90.7	126.2	173.8	-172.1	172.6	-176.4	171.1	0	110.7
558	I	96	Very high	94.9	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.072	24%	0.241	C	C	.	.			trans	-122.7	158.9	178.3	62.1	166.4	0	0	0	111.4	A547 L550 V556 P560 F564 T603 I644	A547-I558 HydrophobicContact CB-CD1 4.04Å; A547-I558 HydrophobicContact CB-CG1 3.78Å; L550-I558 HydrophobicContact CD1-CD1 3.66Å; L550-I558 HydrophobicContact CD1-CG1 4.39Å; V556-I558 HydrophobicContact CG1-CG2 3.96Å; I558-P560 VanDerWaalsContact O-CD 3.31Å; I558-P560 WeakPolarHBondContact O-CD 3.43Å; I558-F564 HydrophobicContact CD1-CE1 3.87Å; I558-F564 HydrophobicContact CD1-CE2 4.08Å; I558-F564 HydrophobicContact CD1-CZ 3.39Å; I558-F564 HydrophobicContact CG1-CZ 4.37Å; I558-T603 HydrophobicContact CB-CG2 4.15Å; I558-T603 HydrophobicContact CD1-CG2 4.11Å; I558-T603 HydrophobicContact CG2-CG2 3.93Å; I558-I644 HydrophobicContact CG2-CD1 4.45Å; I558-I644 HydrophobicContact CG2-CG1 4.18Å
559	N	97.3	Very high	94.9	Very high	29 Å²	29	47.4 Å²	47.4	16%	0.155	22%	0.224	C	C	.	.			trans	-86.2	109.8	176.9	178.2	-4.6	0	0	0	110.1	N561 S562 D639	N559-N561 PolarHBondContact O-N 2.89Å; N559-N561 WeakPolarHBondContact OD1-CB 3.43Å; N559-N561 PolarHBondContact OD1-N 3.18Å; N559-S562 WeakPolarHBondContact O-CB 3.47Å; N559-S562 PolarHBondContact O-N 2.7Å; N559-S562 VanDerWaalsContact O-N 3.12Å; N559-S562 PolarHBondContact O-OG 2.93Å; N559-D639 HydrophobicContact CB-CB 4.49Å; N559-D639 PolarHBondContact ND2-OD2 3.44Å
560	P	97.6	Very high	94.8	Very high	29 Å²	29	51.6 Å²	51.6	19%	0.188	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.2	-178.1	31.4	-37	0	0	0	113.9	Q540 K543 L544 A547 I558	Q540-P560 PolarHBondContact NE2-O 3.2Å; K543-P560 WeakPolarHBondContact CE-O 2.96Å; K543-P560 PolarHBondContact NZ-O 3.19Å; L544-P560 HydrophobicContact CD2-CB 3.76Å; L544-P560 HydrophobicContact CD2-CG 3.74Å; L544-P560 HydrophobicContact CG-CB 4.45Å; A547-P560 HydrophobicContact CB-CB 4.41Å; I558-P560 VanDerWaalsContact O-CD 3.31Å; I558-P560 WeakPolarHBondContact O-CD 3.43Å
561	N	97.7	Very high	94.9	Very high	113 Å²	113	51.5 Å²	51.5	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-16.7	173.9	-59	-39.4	0	0	0	112.3	N559	N559-N561 PolarHBondContact O-N 2.89Å; N559-N561 WeakPolarHBondContact OD1-CB 3.43Å; N559-N561 PolarHBondContact OD1-N 3.18Å
562	S	98.3	Very high	94.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-65.8	158	173.4	71.2	0	0	0	0	111.2	K543 N559 F564 P601 T603 Y792	K543-S562 WeakPolarHBondContact CE-O 3.44Å; K543-S562 PolarHBondContact NZ-O 3.04Å; N559-S562 WeakPolarHBondContact O-CB 3.47Å; N559-S562 PolarHBondContact O-N 2.7Å; N559-S562 VanDerWaalsContact O-N 3.12Å; N559-S562 PolarHBondContact O-OG 2.93Å; S562-F564 PolarHBondContact O-N 2.9Å; S562-P601 WeakPolarHBondContact CA-O 3.01Å; S562-P601 WeakPolarHBondContact CB-O 3.15Å; S562-T603 PolarHBondContact OG-N 2.67Å; S562-T603 PolarHBondContact OG-OG1 2.86Å; S562-Y792 PolarHBondContact O-OH 2.8Å
563	M	98.8	Very high	95.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128	169.9	-172.7	175.1	65.6	0	0	109.5	D565 P601 R602 T603 D662 L663 V788 Y792 W798	M563-D565 PolarHBondContact O-N 2.96Å; M563-P601 PolarHBondContact N-O 3.01Å; M563-R602 HydrophobicContact CB-CG 4.48Å; M563-R602 HydrophobicContact CE-CG 3.92Å; M563-T603 PolarHBondContact O-N 3.19Å; M563-D662 HydrophobicContact CG-CB 3.78Å; M563-L663 HydrophobicContact CE-CD2 4.1Å; M563-L663 HydrophobicContact SD-CB 4.28Å; M563-V788 HydrophobicContact CE-CG1 3.81Å; M563-V788 HydrophobicContact SD-CG1 3.67Å; M563-Y792 HydrophobicContact CB-CD1 4.07Å; M563-Y792 HydrophobicContact CB-CD2 4.11Å; M563-Y792 HydrophobicContact CB-CE1 3.8Å; M563-Y792 HydrophobicContact CB-CE2 3.86Å; M563-Y792 HydrophobicContact CB-CG 4.22Å; M563-Y792 HydrophobicContact CG-CD2 3.81Å; M563-Y792 HydrophobicContact CG-CE2 3.72Å; M563-Y792 HydrophobicContact CG-CG 4.27Å; M563-Y792 HydrophobicContact SD-CD2 3.8Å; M563-Y792 HydrophobicContact SD-CE2 4.34Å; M563-Y792 HydrophobicContact SD-CG 4Å; M563-W798 HydrophobicContact SD-CH2 3.88Å; M563-W798 HydrophobicContact SD-CZ3 4.37Å
564	F	98.9	Very high	95.6	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.1	174.7	-79.9	17.5	0	0	0	109.5	K543 F546 I558 S562 M605 A660 D662 L663	K543-F564 HydrophobicContact CB-CD2 4.33Å; K543-F564 HydrophobicContact CB-CE2 3.89Å; K543-F564 HydrophobicContact CB-CZ 4.21Å; K543-F564 HydrophobicContact CD-CD2 4.49Å; K543-F564 HydrophobicContact CG-CD2 3.8Å; K543-F564 HydrophobicContact CG-CE2 3.88Å; K543-F564 HydrophobicContact CG-CG 4.32Å; K543-F564 HydrophobicContact CG-CZ 4.46Å; F546-F564 HydrophobicContact CD1-CE2 4.16Å; I558-F564 HydrophobicContact CD1-CE1 3.87Å; I558-F564 HydrophobicContact CD1-CE2 4.08Å; I558-F564 HydrophobicContact CD1-CZ 3.39Å; I558-F564 HydrophobicContact CG1-CZ 4.37Å; S562-F564 PolarHBondContact O-N 2.9Å; F564-M605 HydrophobicContact CB-CE 3.53Å; F564-M605 HydrophobicContact CD1-CE 3.98Å; F564-M605 HydrophobicContact CD2-CE 3.55Å; F564-M605 HydrophobicContact CE2-CE 4.24Å; F564-M605 HydrophobicContact CG-CE 3.41Å; F564-M605 VanDerWaalsContact CG-CE 3.41Å; F564-A660 HydrophobicContact CD2-CB 4.21Å; F564-A660 WeakPolarHBondContact CD2-O 3.06Å; F564-A660 HydrophobicContact CE2-CB 4.46Å; F564-D662 PolarHBondContact N-OD2 3.44Å; F564-D662 PolarHBondContact O-N 3.21Å; F564-L663 PolarHBondContact O-N 2.91Å
565	D	98.8	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.3	-176.5	178.1	-17	0	0	0	108.8	M563 R602 T603 I604 M605 L663 E665	M563-D565 PolarHBondContact O-N 2.96Å; D565-R602 IonicContact OD2-CZ 3.26Å; D565-R602 IonicContact OD2-NH1 2.67Å; D565-R602 PolarHBondContact OD2-NH1 3.23Å; D565-T603 PolarHBondContact N-O 3.43Å; D565-I604 HydrophobicContact CB-CG1 4Å; D565-I604 CarbonylContact O-C 3.53Å; D565-I604 WeakPolarHBondContact O-CA 3.49Å; D565-M605 PolarHBondContact O-N 2.94Å; D565-L663 HydrophobicContact CB-CD2 4.48Å; D565-E665 WeakPolarHBondContact OD1-CG 3.31Å
566	V	98.9	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.3	-162.6	-174.3	0	0	0	0	112.5	V568 M605 V657 A661 L663 E665 F682	V566-V568 HydrophobicContact CG1-CB 4.41Å; V566-V568 HydrophobicContact CG1-CG1 3.76Å; V566-V568 HydrophobicContact CG1-CG2 3.99Å; V566-M605 WeakPolarHBondContact CA-O 3.29Å; V566-M605 HydrophobicContact CG2-CB 4.3Å; V566-M605 HydrophobicContact CG2-CE 3.76Å; V566-V657 HydrophobicContact CG1-CG2 3.8Å; V566-V657 HydrophobicContact CG2-CG2 4.18Å; V566-A661 HydrophobicContact CB-CB 4.05Å; V566-A661 HydrophobicContact CG2-CB 3.62Å; V566-L663 PolarHBondContact N-O 3.19Å; V566-E665 PolarHBondContact O-N 3.2Å; V566-F682 HydrophobicContact CB-CE1 4.32Å; V566-F682 HydrophobicContact CB-CZ 4.31Å; V566-F682 HydrophobicContact CG1-CE1 4.25Å; V566-F682 HydrophobicContact CG1-CZ 3.88Å
567	Q	98.8	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	89.5	170.1	-163.9	179.2	15.6	0	0	111.1	K575 N580 M605 I606 G607 E665	Q567-K575 PolarHBondContact NE2-O 3.49Å; Q567-N580 VanDerWaalsContact OE1-CB 3.22Å; Q567-N580 PolarHBondContact OE1-ND2 3.35Å; Q567-M605 PolarHBondContact N-O 3.42Å; Q567-I606 HydrophobicContact CB-CG1 4.33Å; Q567-I606 WeakPolarHBondContact O-CA 3.18Å; Q567-G607 PolarHBondContact O-N 3.31Å; Q567-E665 HydrophobicContact CB-CB 3.6Å; Q567-E665 HydrophobicContact CB-CG 4.08Å; Q567-E665 HydrophobicContact CG-CB 3.67Å
568	V	98.1	Very high	97.2	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.4	178.9	-66.8	0	0	0	0	113.1	V566 G607 L646 Y649 V657 F682	V566-V568 HydrophobicContact CG1-CB 4.41Å; V566-V568 HydrophobicContact CG1-CG1 3.76Å; V566-V568 HydrophobicContact CG1-CG2 3.99Å; V568-G607 VanDerWaalsContact CA-O 3.28Å; V568-G607 WeakPolarHBondContact CA-O 3.46Å; V568-L646 HydrophobicContact CG1-CD1 3.83Å; V568-Y649 HydrophobicContact CB-CD1 4.44Å; V568-Y649 HydrophobicContact CB-CD2 3.85Å; V568-Y649 HydrophobicContact CB-CE1 4.15Å; V568-Y649 HydrophobicContact CB-CE2 3.54Å; V568-Y649 HydrophobicContact CB-CG 4.29Å; V568-Y649 HydrophobicContact CG1-CD2 4.11Å; V568-Y649 HydrophobicContact CG1-CE2 4.16Å; V568-Y649 HydrophobicContact CG2-CD2 4.42Å; V568-Y649 HydrophobicContact CG2-CE2 3.65Å; V568-V657 HydrophobicContact CG1-CG1 4.47Å; V568-V657 HydrophobicContact CG2-CG1 4.2Å; V568-F682 HydrophobicContact CG2-CE2 3.96Å; V568-F682 HydrophobicContact CG2-CZ 3.69Å
569	K	95.4	Very high	97.4	Very high	23 Å²	23	20.6 Å²	20.6	10%	0.1	10%	0.097	C	C	.	.	S	Bend	trans	-170.1	166.4	-178.6	52.6	-169.2	65.8	175.8	0	109.3	I571 K575 G607 G608 E665	K569-I571 PolarHBondContact O-N 2.85Å; K569-K575 HydrophobicContact CB-CD 4.28Å; K569-K575 HydrophobicContact CD-CB 3.97Å; K569-K575 HydrophobicContact CD-CD 3.84Å; K569-K575 HydrophobicContact CD-CG 4.15Å; K569-K575 HydrophobicContact CG-CD 3.97Å; K569-G607 PolarHBondContact N-O 2.87Å; K569-G608 WeakPolarHBondContact O-CA 3.37Å; K569-E665 PolarHBondContact NZ-O 3.46Å
570	R	93.4	Very high	97.5	Very high	110 Å²	110	19.2 Å²	19.2	42%	0.415	9%	0.09	S	C	.	.			trans	-49.6	139.9	172.2	-170.2	-173.1	-65.9	-172.1	3.8	109.9	H572 K575 Q577 K609	R570-H572 PolarHBondContact O-N 2.82Å; R570-K575 WeakPolarHBondContact O-CD 3.44Å; R570-Q577 PolarHBondContact O-NE2 2.65Å; R570-Q577 VanDerWaalsContact O-NE2 3.14Å; R570-K609 WeakPolarHBondContact CG-O 3.21Å
571	I	96.2	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.			trans	-77	122.7	177.3	-51.8	-57.9	0	0	0	108.8	K569 Q577 K609 A610 A617 I620 I621	K569-I571 PolarHBondContact O-N 2.85Å; I571-Q577 HydrophobicContact CD1-CG 4.08Å; I571-K609 PolarHBondContact N-O 3.09Å; I571-A610 HydrophobicContact CB-CB 4.37Å; I571-A617 HydrophobicContact CB-CB 4.28Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.49Å; I571-I620 HydrophobicContact CG2-CB 3.99Å; I571-I620 HydrophobicContact CG2-CD1 4.44Å; I571-I620 HydrophobicContact CG2-CG2 3.85Å; I571-I621 HydrophobicContact CG1-CD1 4Å; I571-I621 HydrophobicContact CG1-CG1 3.85Å; I571-I621 HydrophobicContact CG2-CG1 4.4Å
572	H	94.8	Very high	97.6	Very high	37 Å²	37	12.6 Å²	12.6	17%	0.171	5%	0.053	C	C	.	.			trans	-159.1	143.3	-179	-160.1	-49.1	0	0	0	110.1	R570 Y574 K575 Q577 Y614	R570-H572 PolarHBondContact O-N 2.82Å; H572-Y574 HydrophobicContact CB-CD1 4.1Å; H572-Y574 HydrophobicContact CB-CE1 4.07Å; H572-Y574 AromaticContact CD2-CD1 3.75Å; H572-Y574 AromaticContact CD2-CE1 3.5Å; H572-Y574 AromaticContact CE1-CD1 3.49Å; H572-Y574 VanDerWaalsContact CE1-CD1 3.49Å; H572-Y574 WeakPolarHBondContact CE1-CD1 3.36Å; H572-Y574 AromaticContact CE1-CE1 3.99Å; H572-Y574 AromaticContact CG-CD1 3.43Å; H572-Y574 VanDerWaalsContact CG-CD1 3.43Å; H572-Y574 AromaticContact CG-CE1 3.53Å; H572-Y574 AromaticContact ND1-CD1 3.26Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.26Å; H572-Y574 WeakPolarHBondContact ND1-CD1 3.5Å; H572-Y574 AromaticContact ND1-CE1 3.84Å; H572-Y574 AromaticContact NE2-CD1 3.78Å; H572-Y574 AromaticContact NE2-CE1 3.8Å; H572-Y574 PolarHBondContact O-N 2.94Å; H572-K575 HydrophobicContact CB-CB 4.47Å; H572-K575 HydrophobicContact CB-CD 4.18Å; H572-K575 HydrophobicContact CB-CG 4.25Å; H572-K575 WeakPolarHBondContact O-CB 3.44Å; H572-K575 PolarHBondContact O-N 3.31Å; H572-Q577 PolarHBondContact O-OE1 3.04Å; H572-Y614 AromaticContact CD2-CE2 3.98Å; H572-Y614 PolarHBondContact CE1-OH 3.07Å; H572-Y614 AromaticContact CG-CE2 3.98Å; H572-Y614 AromaticContact ND1-CE2 4Å; H572-Y614 PolarHBondContact ND1-OH 3.02Å
573	E	95.9	Very high	97.6	Very high	29 Å²	29	13 Å²	13	14%	0.136	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-51.9	-46.2	178.8	-68	169	70.7	0	0	113.6	K575 R576 Y614 T616 I620 M765 F772	E573-K575 PolarHBondContact O-N 3.08Å; E573-R576 WeakPolarHBondContact O-CA 3.48Å; E573-R576 PolarHBondContact O-N 3.14Å; E573-Y614 VanDerWaalsContact CD-OH 3.24Å; E573-Y614 VanDerWaalsContact CG-OH 3.28Å; E573-Y614 WeakPolarHBondContact CG-OH 3.28Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.27Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.3Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.28Å; E573-Y614 PolarHBondContact OE2-OH 3.32Å; E573-T616 HydrophobicContact CG-CG2 3.86Å; E573-I620 HydrophobicContact CG-CD1 4.42Å; E573-M765 HydrophobicContact CG-CE 4.4Å; E573-F772 HydrophobicContact CB-CD2 3.5Å; E573-F772 VanDerWaalsContact CB-CD2 3.5Å; E573-F772 HydrophobicContact CB-CE2 3.45Å; E573-F772 VanDerWaalsContact CB-CE2 3.45Å
574	Y	95.3	Very high	97.6	Very high	34 Å²	34	13 Å²	13	13%	0.133	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-65.9	-21.3	179.3	82.3	-102.7	0	0	0	114.6	L381 H572 S668 T669 T672 E673 F772	L381-Y574 HydrophobicContact CD1-CD1 3.85Å; L381-Y574 HydrophobicContact CD1-CE1 4.08Å; L381-Y574 HydrophobicContact CD1-CG 4.45Å; H572-Y574 HydrophobicContact CB-CD1 4.1Å; H572-Y574 HydrophobicContact CB-CE1 4.07Å; H572-Y574 AromaticContact CD2-CD1 3.75Å; H572-Y574 AromaticContact CD2-CE1 3.5Å; H572-Y574 AromaticContact CE1-CD1 3.49Å; H572-Y574 VanDerWaalsContact CE1-CD1 3.49Å; H572-Y574 WeakPolarHBondContact CE1-CD1 3.36Å; H572-Y574 AromaticContact CE1-CE1 3.99Å; H572-Y574 AromaticContact CG-CD1 3.43Å; H572-Y574 VanDerWaalsContact CG-CD1 3.43Å; H572-Y574 AromaticContact CG-CE1 3.53Å; H572-Y574 AromaticContact ND1-CD1 3.26Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.26Å; H572-Y574 WeakPolarHBondContact ND1-CD1 3.5Å; H572-Y574 AromaticContact ND1-CE1 3.84Å; H572-Y574 AromaticContact NE2-CD1 3.78Å; H572-Y574 AromaticContact NE2-CE1 3.8Å; H572-Y574 PolarHBondContact O-N 2.94Å; Y574-S668 VanDerWaalsContact O-CA 3.27Å; Y574-S668 WeakPolarHBondContact O-CA 3.5Å; Y574-S668 WeakPolarHBondContact O-CB 3.49Å; Y574-T669 PolarHBondContact O-N 3.19Å; Y574-T672 WeakPolarHBondContact CD2-OG1 3.48Å; Y574-E673 WeakPolarHBondContact CE2-OE2 3.49Å; Y574-F772 VanDerWaalsContact CB-CD1 3.46Å
575	K	96.3	Very high	97.6	Very high	14 Å²	14	13 Å²	13	6%	0.061	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-82.2	-6.1	176.4	-67.8	179.3	177.4	-39.4	0	112.3	Q567 K569 R570 H572 E573 Q577 E673	Q567-K575 PolarHBondContact NE2-O 3.49Å; K569-K575 HydrophobicContact CB-CD 4.28Å; K569-K575 HydrophobicContact CD-CB 3.97Å; K569-K575 HydrophobicContact CD-CD 3.84Å; K569-K575 HydrophobicContact CD-CG 4.15Å; K569-K575 HydrophobicContact CG-CD 3.97Å; R570-K575 WeakPolarHBondContact O-CD 3.44Å; H572-K575 HydrophobicContact CB-CB 4.47Å; H572-K575 HydrophobicContact CB-CD 4.18Å; H572-K575 HydrophobicContact CB-CG 4.25Å; H572-K575 WeakPolarHBondContact O-CB 3.44Å; H572-K575 PolarHBondContact O-N 3.31Å; E573-K575 PolarHBondContact O-N 3.08Å; K575-Q577 PolarHBondContact O-N 3.39Å; K575-E673 IonicContact NZ-OE1 3.98Å; K575-E673 PolarHBondContact NZ-OE1 3.16Å; K575-E673 IonicContact NZ-OE2 2.78Å; K575-E673 PolarHBondContact NZ-OE2 3.45Å
576	R	98.4	Very high	97.6	Very high	1 Å²	1	13 Å²	13	0%	0.004	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.6	168.9	-58.7	-165.4	-65.3	-178.8	0.6	114.8	E573 L578 L579 N580 I667 S668 T669 V774 D777	E573-R576 WeakPolarHBondContact O-CA 3.48Å; E573-R576 PolarHBondContact O-N 3.14Å; R576-L578 PolarHBondContact O-N 3.46Å; R576-L578 VanDerWaalsContact O-N 3.16Å; R576-L579 HydrophobicContact CB-CB 3.84Å; R576-L579 WeakPolarHBondContact O-CB 3.49Å; R576-L579 PolarHBondContact O-N 3.11Å; R576-N580 PolarHBondContact O-N 2.99Å; R576-I667 HydrophobicContact CB-CG1 4.45Å; R576-I667 PolarHBondContact NE-O 2.93Å; R576-I667 PolarHBondContact NH2-O 2.9Å; R576-I667 WeakPolarHBondContact O-CD1 3.36Å; R576-S668 PolarHBondContact NH2-O 3.08Å; R576-T669 WeakPolarHBondContact CD-OG1 3.31Å; R576-V774 HydrophobicContact CG-CG2 4.42Å; R576-D777 IonicContact CZ-OD2 2.68Å; R576-D777 IonicContact NH1-OD2 3.84Å; R576-D777 PolarHBondContact NH1-OD2 3.1Å; R576-D777 IonicContact NH2-OD2 2.74Å; R576-D777 PolarHBondContact NH2-OD2 3.08Å; R576-D777 VanDerWaalsContact NH2-OD2 3.16Å
577	Q	98.7	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-54.5	-29.8	163.9	-68.9	84.1	-0.9	0	0	111.6	R570 I571 H572 K575 N580 C581 I606 I620 I624	R570-Q577 PolarHBondContact O-NE2 2.65Å; R570-Q577 VanDerWaalsContact O-NE2 3.14Å; I571-Q577 HydrophobicContact CD1-CG 4.08Å; H572-Q577 PolarHBondContact O-OE1 3.04Å; K575-Q577 PolarHBondContact O-N 3.39Å; Q577-N580 WeakPolarHBondContact O-CB 3.45Å; Q577-N580 PolarHBondContact O-N 2.92Å; Q577-C581 PolarHBondContact O-N 3.21Å; Q577-C581 PolarHBondContact O-SG 3.16Å; Q577-C581 VanDerWaalsContact O-SG 3.33Å; Q577-I606 HydrophobicContact CG-CG2 4.1Å; Q577-I620 HydrophobicContact CB-CG2 3.88Å; Q577-I624 HydrophobicContact CB-CD1 4.49Å
578	L	98.6	Very high	97.6	Very high	7 Å²	7	13.9 Å²	13.9	4%	0.037	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-38.4	172.4	-74	172.5	0	0	0	113.7	R576 N580 C581 L582 I620 L623 L762 M765 L766	R576-L578 PolarHBondContact O-N 3.46Å; R576-L578 VanDerWaalsContact O-N 3.16Å; L578-N580 VanDerWaalsContact C-N 3.27Å; L578-N580 PolarHBondContact O-N 3.08Å; L578-C581 WeakPolarHBondContact O-CB 3.26Å; L578-C581 PolarHBondContact O-N 3.03Å; L578-L582 WeakPolarHBondContact O-CG 2.99Å; L578-L582 PolarHBondContact O-N 3.28Å; L578-I620 HydrophobicContact CD1-CD1 3.92Å; L578-I620 HydrophobicContact CD1-CG1 4.03Å; L578-I620 HydrophobicContact CD2-CG1 3.92Å; L578-I620 HydrophobicContact CG-CD1 3.93Å; L578-I620 HydrophobicContact CG-CG1 3.81Å; L578-L623 HydrophobicContact CD2-CD2 3.74Å; L578-L762 HydrophobicContact CD2-CD1 4.37Å; L578-M765 HydrophobicContact CD1-CE 3.57Å; L578-L766 HydrophobicContact CD1-CD2 4.24Å; L578-L766 HydrophobicContact CD1-CG 4.47Å
579	L	98.9	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-39.9	175	179	58.3	0	0	0	110.5	R576 L582 H583 I667 F712 V774 D777 Y781	R576-L579 HydrophobicContact CB-CB 3.84Å; R576-L579 WeakPolarHBondContact O-CB 3.49Å; R576-L579 PolarHBondContact O-N 3.11Å; L579-L582 PolarHBondContact O-N 2.85Å; L579-H583 PolarHBondContact O-N 3.09Å; L579-I667 HydrophobicContact CB-CD1 4.22Å; L579-I667 HydrophobicContact CD2-CD1 4.35Å; L579-I667 HydrophobicContact CG-CD1 4.4Å; L579-F712 HydrophobicContact CD2-CE2 4.2Å; L579-F712 HydrophobicContact CD2-CZ 4.31Å; L579-V774 HydrophobicContact CB-CG1 4.1Å; L579-V774 HydrophobicContact CD1-CG1 4.29Å; L579-D777 HydrophobicContact CD2-CB 4.45Å; L579-Y781 HydrophobicContact CD1-CD1 3.74Å; L579-Y781 HydrophobicContact CD1-CE1 4.43Å; L579-Y781 HydrophobicContact CD1-CG 4.34Å; L579-Y781 HydrophobicContact CD2-CD1 4.14Å; L579-Y781 HydrophobicContact CD2-CG 4.19Å; L579-Y781 HydrophobicContact CG-CD1 3.59Å; L579-Y781 HydrophobicContact CG-CE1 3.92Å; L579-Y781 HydrophobicContact CG-CG 4.15Å
580	N	98.8	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.9	-41.2	174	-160	7.2	0	0	0	112	Q567 R576 Q577 L578 L582 H583 I584 I606 I667 Y781	Q567-N580 VanDerWaalsContact OE1-CB 3.22Å; Q567-N580 PolarHBondContact OE1-ND2 3.35Å; R576-N580 PolarHBondContact O-N 2.99Å; Q577-N580 WeakPolarHBondContact O-CB 3.45Å; Q577-N580 PolarHBondContact O-N 2.92Å; L578-N580 VanDerWaalsContact C-N 3.27Å; L578-N580 PolarHBondContact O-N 3.08Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.32Å; N580-H583 WeakPolarHBondContact O-CB 3.45Å; N580-H583 PolarHBondContact O-N 3.05Å; N580-H583 VanDerWaalsContact O-N 3.14Å; N580-I584 VanDerWaalsContact O-CG1 3.32Å; N580-I584 WeakPolarHBondContact O-CG1 3.41Å; N580-I584 PolarHBondContact O-N 3.24Å; N580-I606 HydrophobicContact CB-CD1 4.42Å; N580-I667 HydrophobicContact CB-CD1 4.05Å; N580-Y781 PolarHBondContact OD1-OH 2.88Å
581	C	98.8	Very high	97.9	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	5%	0.046	C	C	.	.	H	α-helix	trans	-55.4	-43.8	172.9	-68.2	0	0	0	0	112.5	Q577 L578 H583 I584 I585 I624 I627	Q577-C581 PolarHBondContact O-N 3.21Å; Q577-C581 PolarHBondContact O-SG 3.16Å; Q577-C581 VanDerWaalsContact O-SG 3.33Å; L578-C581 WeakPolarHBondContact O-CB 3.26Å; L578-C581 PolarHBondContact O-N 3.03Å; C581-H583 VanDerWaalsContact C-N 3.33Å; C581-H583 PolarHBondContact O-N 3.01Å; C581-I584 WeakPolarHBondContact O-CB 3.48Å; C581-I584 PolarHBondContact O-N 3.45Å; C581-I585 VanDerWaalsContact O-CG1 3.31Å; C581-I585 WeakPolarHBondContact O-CG1 3.46Å; C581-I585 PolarHBondContact O-N 3.14Å; C581-I624 VanDerWaalsContact SG-CG1 3.52Å; C581-I627 HydrophobicContact CB-CD1 3.77Å
582	L	98.8	Very high	98	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-64.1	-38.2	178	-66.1	174.9	0	0	0	112	L578 L579 N580 I585 T586 L739 A742 M743 I746 V774 F775 Y778	L578-L582 WeakPolarHBondContact O-CG 2.99Å; L578-L582 PolarHBondContact O-N 3.28Å; L579-L582 PolarHBondContact O-N 2.85Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.32Å; L582-I585 PolarHBondContact O-N 3.25Å; L582-T586 WeakPolarHBondContact O-CB 3.21Å; L582-T586 PolarHBondContact O-N 3.46Å; L582-T586 PolarHBondContact O-OG1 2.71Å; L582-L739 HydrophobicContact CD1-CD1 3.94Å; L582-L739 HydrophobicContact CD2-CD1 4.48Å; L582-A742 HydrophobicContact CD2-CB 4.18Å; L582-M743 HydrophobicContact CD2-SD 3.97Å; L582-I746 HydrophobicContact CD2-CD1 4.18Å; L582-V774 HydrophobicContact CD1-CG1 3.76Å; L582-F775 HydrophobicContact CD1-CD1 4.12Å; L582-F775 HydrophobicContact CD1-CE1 3.95Å; L582-Y778 HydrophobicContact CB-CD2 3.99Å; L582-Y778 HydrophobicContact CB-CE2 3.92Å; L582-Y778 HydrophobicContact CD1-CD2 4.31Å
583	H	98.8	Very high	98.1	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.032	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-45	171.7	162.6	-116.9	0	0	0	112.4	L579 N580 C581 I585 T586 F587 R602 Y781 I782	L579-H583 PolarHBondContact O-N 3.09Å; N580-H583 WeakPolarHBondContact O-CB 3.45Å; N580-H583 PolarHBondContact O-N 3.05Å; N580-H583 VanDerWaalsContact O-N 3.14Å; C581-H583 VanDerWaalsContact C-N 3.33Å; C581-H583 PolarHBondContact O-N 3.01Å; H583-I585 VanDerWaalsContact C-N 3.34Å; H583-I585 PolarHBondContact O-N 2.99Å; H583-T586 PolarHBondContact O-N 3.17Å; H583-F587 WeakPolarHBondContact O-CB 3.37Å; H583-F587 PolarHBondContact O-N 3.05Å; H583-R602 PolarHBondContact CE1-NH1 2.92Å; H583-Y781 HydrophobicContact CB-CD1 4.01Å; H583-Y781 HydrophobicContact CB-CE1 3.39Å; H583-Y781 AromaticContact CG-CE1 3.97Å; H583-I782 HydrophobicContact CB-CD1 3.76Å
584	I	98.8	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-48.2	176.4	-65.1	165.7	0	0	0	110.7	N580 C581 T586 F587 Y588 I604 I606 I627 V643	N580-I584 VanDerWaalsContact O-CG1 3.32Å; N580-I584 WeakPolarHBondContact O-CG1 3.41Å; N580-I584 PolarHBondContact O-N 3.24Å; C581-I584 WeakPolarHBondContact O-CB 3.48Å; C581-I584 PolarHBondContact O-N 3.45Å; I584-T586 VanDerWaalsContact C-N 3.32Å; I584-T586 PolarHBondContact O-N 3.25Å; I584-F587 PolarHBondContact O-N 3.34Å; I584-Y588 WeakPolarHBondContact O-CB 3.24Å; I584-Y588 PolarHBondContact O-N 3.18Å; I584-I604 HydrophobicContact CD1-CG2 3.82Å; I584-I604 HydrophobicContact CG1-CD1 3.69Å; I584-I604 HydrophobicContact CG1-CG2 4.09Å; I584-I606 HydrophobicContact CD1-CD1 3.98Å; I584-I627 HydrophobicContact CB-CG2 4.44Å; I584-I627 HydrophobicContact CG2-CG2 3.5Å; I584-V643 HydrophobicContact CD1-CG1 4.08Å; I584-V643 HydrophobicContact CD1-CG2 4.47Å; I584-V643 HydrophobicContact CG2-CG1 4.48Å; I584-V643 HydrophobicContact CG2-CG2 3.39Å
585	I	98.8	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-41.2	-179.7	-65.1	166.7	0	0	0	110.7	C581 L582 H583 Y588 N589 I627 A742 Q745 I746 F751	C581-I585 VanDerWaalsContact O-CG1 3.31Å; C581-I585 WeakPolarHBondContact O-CG1 3.46Å; C581-I585 PolarHBondContact O-N 3.14Å; L582-I585 PolarHBondContact O-N 3.25Å; H583-I585 VanDerWaalsContact C-N 3.34Å; H583-I585 PolarHBondContact O-N 2.99Å; I585-Y588 PolarHBondContact O-N 3.41Å; I585-N589 WeakPolarHBondContact O-CB 3.47Å; I585-N589 PolarHBondContact O-N 2.91Å; I585-N589 PolarHBondContact O-ND2 2.98Å; I585-I627 HydrophobicContact CD1-CD1 3.85Å; I585-I627 HydrophobicContact CD1-CG1 4.25Å; I585-I627 HydrophobicContact CG1-CD1 4.02Å; I585-I627 HydrophobicContact CG1-CG1 4.22Å; I585-A742 HydrophobicContact CB-CB 4.2Å; I585-A742 HydrophobicContact CG2-CB 3.61Å; I585-Q745 VanDerWaalsContact CG2-OE1 3.27Å; I585-I746 HydrophobicContact CD1-CD1 3.74Å; I585-I746 HydrophobicContact CD1-CG1 3.92Å; I585-F751 HydrophobicContact CB-CZ 4.42Å; I585-F751 HydrophobicContact CD1-CD2 4.48Å; I585-F751 HydrophobicContact CD1-CE2 3.7Å; I585-F751 HydrophobicContact CD1-CZ 4.01Å; I585-F751 HydrophobicContact CG1-CE2 3.92Å; I585-F751 HydrophobicContact CG1-CZ 3.67Å; I585-F751 HydrophobicContact CG2-CE2 4.21Å; I585-F751 HydrophobicContact CG2-CZ 4.01Å
586	T	98.8	Very high	98.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-44.5	177.6	-58.3	0	0	0	0	110.7	L582 H583 I584 N589 R590 E738 Y778 I782	L582-T586 WeakPolarHBondContact O-CB 3.21Å; L582-T586 PolarHBondContact O-N 3.46Å; L582-T586 PolarHBondContact O-OG1 2.71Å; H583-T586 PolarHBondContact O-N 3.17Å; I584-T586 VanDerWaalsContact C-N 3.32Å; I584-T586 PolarHBondContact O-N 3.25Å; T586-N589 PolarHBondContact O-N 2.86Å; T586-R590 WeakPolarHBondContact O-CB 3.26Å; T586-R590 VanDerWaalsContact O-CG 3.29Å; T586-R590 WeakPolarHBondContact O-CG 3.34Å; T586-R590 PolarHBondContact O-N 3.27Å; T586-E738 HydrophobicContact CG2-CB 4.38Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.32Å; T586-Y778 PolarHBondContact OG1-OH 3.49Å; T586-I782 HydrophobicContact CG2-CD1 4.22Å
587	F	98.4	Very high	98	Very high	7 Å²	7	34 Å²	34	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-42.2	178.3	-168.5	-139	0	0	0	111.9	H583 I584 R590 I591 W599 R602 L641	H583-F587 WeakPolarHBondContact O-CB 3.37Å; H583-F587 PolarHBondContact O-N 3.05Å; I584-F587 PolarHBondContact O-N 3.34Å; F587-R590 PolarHBondContact O-N 3.5Å; F587-I591 HydrophobicContact CD1-CD1 4.23Å; F587-I591 HydrophobicContact CD2-CD1 4.4Å; F587-I591 HydrophobicContact CE1-CD1 4.06Å; F587-I591 HydrophobicContact CE2-CD1 4.25Å; F587-I591 HydrophobicContact CE2-CG1 4.41Å; F587-I591 HydrophobicContact CG-CD1 4.38Å; F587-I591 HydrophobicContact CZ-CD1 4.07Å; F587-I591 VanDerWaalsContact O-CG1 3.3Å; F587-I591 WeakPolarHBondContact O-CG1 3.44Å; F587-I591 PolarHBondContact O-N 3.01Å; F587-W599 HydrophobicContact CD2-CE3 4.4Å; F587-W599 HydrophobicContact CE2-CD2 4.22Å; F587-W599 AromaticContact CE2-CE3 3.59Å; F587-W599 HydrophobicContact CE2-CE3 3.59Å; F587-W599 HydrophobicContact CE2-CZ3 4.09Å; F587-W599 HydrophobicContact CZ-CB 4.42Å; F587-W599 HydrophobicContact CZ-CE3 4.45Å; F587-R602 HydrophobicContact CE1-CB 4.29Å; F587-R602 HydrophobicContact CE1-CG 4.15Å; F587-L641 HydrophobicContact CB-CD2 4.5Å; F587-L641 HydrophobicContact CD1-CB 4.47Å; F587-L641 HydrophobicContact CD1-CD1 3.73Å; F587-L641 HydrophobicContact CD1-CD2 3.8Å; F587-L641 HydrophobicContact CD1-CG 4.2Å; F587-L641 HydrophobicContact CE1-CB 4.39Å; F587-L641 HydrophobicContact CE1-CD1 4.02Å; F587-L641 HydrophobicContact CG-CD2 4.48Å
588	Y	98.7	Very high	97.7	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.039	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-50.8	171.9	171.4	-104.3	0	0	0	112	I584 I585 R590 I591 K592 V631 D634 V637 F750	I584-Y588 WeakPolarHBondContact O-CB 3.24Å; I584-Y588 PolarHBondContact O-N 3.18Å; I585-Y588 PolarHBondContact O-N 3.41Å; Y588-R590 VanDerWaalsContact C-N 3.34Å; Y588-R590 PolarHBondContact O-N 3.39Å; Y588-I591 PolarHBondContact O-N 3.26Å; Y588-K592 HydrophobicContact CD2-CG 4.36Å; Y588-K592 HydrophobicContact CE1-CG 4.14Å; Y588-K592 HydrophobicContact CE2-CD 4.08Å; Y588-K592 HydrophobicContact CE2-CG 3.97Å; Y588-K592 WeakPolarHBondContact O-CG 3.18Å; Y588-K592 PolarHBondContact O-N 2.76Å; Y588-V631 HydrophobicContact CD2-CB 4.45Å; Y588-V631 HydrophobicContact CD2-CG1 4.45Å; Y588-V631 HydrophobicContact CD2-CG2 3.78Å; Y588-V631 HydrophobicContact CE2-CG2 4.35Å; Y588-V631 HydrophobicContact CG-CG2 3.99Å; Y588-D634 HydrophobicContact CE2-CB 4.14Å; Y588-D634 PolarHBondContact OH-OD2 2.94Å; Y588-V637 HydrophobicContact CD2-CG2 3.64Å; Y588-V637 HydrophobicContact CE2-CG2 3.58Å; Y588-F750 AromaticContact CE1-CE1 3.92Å; Y588-F750 HydrophobicContact CE1-CE1 3.92Å; Y588-F750 HydrophobicContact CE1-CZ 4.09Å
589	N	98.6	Very high	97.5	Very high	14 Å²	14	42.4 Å²	42.4	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-42	179.9	-72.8	-21.8	0	0	0	112.1	I585 T586 K592 N593 Q745	I585-N589 WeakPolarHBondContact O-CB 3.47Å; I585-N589 PolarHBondContact O-N 2.91Å; I585-N589 PolarHBondContact O-ND2 2.98Å; T586-N589 PolarHBondContact O-N 2.86Å; N589-K592 PolarHBondContact O-N 2.92Å; N589-N593 WeakPolarHBondContact O-CB 3.4Å; N589-N593 PolarHBondContact O-N 3.5Å; N589-Q745 PolarHBondContact ND2-OE1 2.89Å; N589-Q745 PolarHBondContact OD1-NE2 3.31Å; N589-Q745 PolarHBondContact OD1-OE1 3.01Å
590	R	98.3	Very high	97.4	Very high	55 Å²	55	42.9 Å²	42.9	21%	0.208	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.1	-73.7	175	175	-164.5	-2.7	112.2	T586 F587 Y588 K592 N593 E594 W599 E738 E786	T586-R590 WeakPolarHBondContact O-CB 3.26Å; T586-R590 VanDerWaalsContact O-CG 3.29Å; T586-R590 WeakPolarHBondContact O-CG 3.34Å; T586-R590 PolarHBondContact O-N 3.27Å; F587-R590 PolarHBondContact O-N 3.5Å; Y588-R590 VanDerWaalsContact C-N 3.34Å; Y588-R590 PolarHBondContact O-N 3.39Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 3.45Å; R590-N593 PolarHBondContact O-N 2.92Å; R590-E594 PolarHBondContact O-N 3.39Å; R590-W599 HydrophobicContact CB-CH2 3.69Å; R590-W599 HydrophobicContact CB-CZ2 4.02Å; R590-W599 HydrophobicContact CB-CZ3 4.48Å; R590-W599 WeakPolarHBondContact O-CZ2 3.26Å; R590-E738 IonicContact CZ-OE1 3.89Å; R590-E738 IonicContact CZ-OE2 3.65Å; R590-E738 IonicContact NE-OE1 2.83Å; R590-E738 PolarHBondContact NE-OE1 3.23Å; R590-E738 IonicContact NE-OE2 2.8Å; R590-E738 IonicContact NH2-OE1 3.75Å; R590-E738 PolarHBondContact NH2-OE1 2.97Å; R590-E738 IonicContact NH2-OE2 3.82Å; R590-E738 PolarHBondContact NH2-OE2 2.93Å; R590-E786 IonicContact CZ-OE1 3.92Å; R590-E786 IonicContact NH1-OE1 3.79Å; R590-E786 PolarHBondContact NH1-OE1 2.79Å; R590-E786 IonicContact NH2-OE1 3.52Å; R590-E786 PolarHBondContact NH2-OE1 2.68Å
591	I	97.9	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-42.8	174.1	-68.3	165.3	0	0	0	110.6	F587 Y588 N593 E594 P595 W599 V637 L641	F587-I591 HydrophobicContact CD1-CD1 4.23Å; F587-I591 HydrophobicContact CD2-CD1 4.4Å; F587-I591 HydrophobicContact CE1-CD1 4.06Å; F587-I591 HydrophobicContact CE2-CD1 4.25Å; F587-I591 HydrophobicContact CE2-CG1 4.41Å; F587-I591 HydrophobicContact CG-CD1 4.38Å; F587-I591 HydrophobicContact CZ-CD1 4.07Å; F587-I591 VanDerWaalsContact O-CG1 3.3Å; F587-I591 WeakPolarHBondContact O-CG1 3.44Å; F587-I591 PolarHBondContact O-N 3.01Å; Y588-I591 PolarHBondContact O-N 3.26Å; I591-N593 VanDerWaalsContact C-N 3.33Å; I591-N593 PolarHBondContact O-N 3.18Å; I591-E594 CarbonylContact O-C 3.13Å; I591-E594 VanDerWaalsContact O-C 3.23Å; I591-E594 PolarHBondContact O-N 3.16Å; I591-P595 WeakPolarHBondContact O-CA 3.48Å; I591-P595 VanDerWaalsContact O-N 3.12Å; I591-W599 HydrophobicContact CG1-CD2 4.03Å; I591-W599 HydrophobicContact CG1-CG 3.93Å; I591-V637 HydrophobicContact CG2-CG2 4.28Å; I591-L641 HydrophobicContact CD1-CB 4.03Å; I591-L641 HydrophobicContact CD1-CD2 4.39Å
592	K	97.8	Very high	97.4	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-34.8	178.5	-66.7	-63.4	-62	-160.8	0	112.8	Y588 N589 R590 D634 V636 V637	Y588-K592 HydrophobicContact CD2-CG 4.36Å; Y588-K592 HydrophobicContact CE1-CG 4.14Å; Y588-K592 HydrophobicContact CE2-CD 4.08Å; Y588-K592 HydrophobicContact CE2-CG 3.97Å; Y588-K592 WeakPolarHBondContact O-CG 3.18Å; Y588-K592 PolarHBondContact O-N 2.76Å; N589-K592 PolarHBondContact O-N 2.92Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 3.45Å; K592-D634 WeakPolarHBondContact CD-OD2 3.38Å; K592-D634 WeakPolarHBondContact CE-OD2 3.46Å; K592-D634 VanDerWaalsContact NZ-CG 3.34Å; K592-D634 IonicContact NZ-OD1 3.98Å; K592-D634 PolarHBondContact NZ-OD1 2.61Å; K592-D634 VanDerWaalsContact NZ-OD1 3.15Å; K592-D634 IonicContact NZ-OD2 3.49Å; K592-D634 PolarHBondContact NZ-OD2 2.52Å; K592-V636 HydrophobicContact CD-CB 4.31Å; K592-V636 HydrophobicContact CD-CG1 4.39Å; K592-V637 HydrophobicContact CD-CG2 4.33Å
593	N	97.6	Very high	97.4	Very high	133 Å²	133	44.7 Å²	44.7	71%	0.711	22%	0.224	S	C	*	.	H	α-helix	trans	-72.8	-39.9	177.5	-168.2	42.5	0	0	0	112.3	N589 R590 I591 P595	N589-N593 WeakPolarHBondContact O-CB 3.4Å; N589-N593 PolarHBondContact O-N 3.5Å; R590-N593 PolarHBondContact O-N 2.92Å; I591-N593 VanDerWaalsContact C-N 3.33Å; I591-N593 PolarHBondContact O-N 3.18Å; N593-P595 VanDerWaalsContact C-CD 3.46Å; N593-P595 WeakPolarHBondContact O-CD 3.31Å
594	E	97.1	Very high	97.4	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.411	22%	0.223	S	C	.	.	S	Bend	trans	-122	70.1	178.6	-59.3	-174.7	141.1	0	0	111.2	R590 I591 N596 K597 W599	R590-E594 PolarHBondContact O-N 3.39Å; I591-E594 CarbonylContact O-C 3.13Å; I591-E594 VanDerWaalsContact O-C 3.23Å; I591-E594 PolarHBondContact O-N 3.16Å; E594-N596 PolarHBondContact O-N 2.72Å; E594-K597 HydrophobicContact CB-CB 4.04Å; E594-K597 HydrophobicContact CB-CD 4.31Å; E594-K597 WeakPolarHBondContact O-CB 3.48Å; E594-K597 PolarHBondContact O-N 3.31Å; E594-K597 WeakPolarHBondContact OE2-CD 3.29Å; E594-K597 IonicContact OE2-NZ 2.78Å; E594-K597 PolarHBondContact OE2-NZ 3.31Å; E594-W599 HydrophobicContact CB-CZ2 4.23Å; E594-W599 PolarHBondContact O-NE1 3.26Å; E594-W599 VanDerWaalsContact O-NE1 3.11Å
595	P	95.4	Very high	97.4	Very high	45 Å²	45	44.3 Å²	44.3	29%	0.292	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.3	-170.1	27.2	-36	0	0	0	113.8	I591 N593 V636 R640	I591-P595 WeakPolarHBondContact O-CA 3.48Å; I591-P595 VanDerWaalsContact O-N 3.12Å; N593-P595 VanDerWaalsContact C-CD 3.46Å; N593-P595 WeakPolarHBondContact O-CD 3.31Å; P595-V636 HydrophobicContact CB-CG1 3.61Å; P595-R640 PolarHBondContact O-NH1 2.91Å; P595-R640 PolarHBondContact O-NH2 2.81Å; P595-R640 VanDerWaalsContact O-NH2 3.15Å
596	N	95	Very high	97.4	Very high	163 Å²	163	44.3 Å²	44.3	87%	0.872	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.1	-179.1	-61.7	-32.6	0	0	0	113.3	E594	E594-N596 PolarHBondContact O-N 2.72Å
597	K	95	Very high	97.3	Very high	101 Å²	101	44.2 Å²	44.2	44%	0.439	22%	0.222	S	C	.	.	S	Bend	trans	-74.4	149	177.9	-178.5	172.6	178.4	-176.7	0	111.3	E594 W599	E594-K597 HydrophobicContact CB-CB 4.04Å; E594-K597 HydrophobicContact CB-CD 4.31Å; E594-K597 WeakPolarHBondContact O-CB 3.48Å; E594-K597 PolarHBondContact O-N 3.31Å; E594-K597 WeakPolarHBondContact OE2-CD 3.29Å; E594-K597 IonicContact OE2-NZ 2.78Å; E594-K597 PolarHBondContact OE2-NZ 3.31Å; K597-W599 HydrophobicContact CB-CZ2 4.43Å; K597-W599 HydrophobicContact CD-CH2 4.06Å; K597-W599 HydrophobicContact CD-CZ2 3.74Å; K597-W599 HydrophobicContact CG-CZ2 4.41Å; K597-W599 PolarHBondContact O-N 2.95Å; K597-W599 VanDerWaalsContact O-N 3.14Å
598	L	92.9	Very high	97.2	Very high	150 Å²	150	43.9 Å²	43.9	79%	0.785	22%	0.221	S	C	*	.			trans	-85.3	87.2	-179	-146.4	136.7	0	0	0	110.6
599	W	95.3	Very high	97.1	Very high	33 Å²	33	44.4 Å²	44.4	13%	0.125	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-79.6	145	178.4	-62.3	104	0	0	0	111.7	F587 R590 I591 E594 K597 P601	F587-W599 HydrophobicContact CD2-CE3 4.4Å; F587-W599 HydrophobicContact CE2-CD2 4.22Å; F587-W599 AromaticContact CE2-CE3 3.59Å; F587-W599 HydrophobicContact CE2-CE3 3.59Å; F587-W599 HydrophobicContact CE2-CZ3 4.09Å; F587-W599 HydrophobicContact CZ-CB 4.42Å; F587-W599 HydrophobicContact CZ-CE3 4.45Å; R590-W599 HydrophobicContact CB-CH2 3.69Å; R590-W599 HydrophobicContact CB-CZ2 4.02Å; R590-W599 HydrophobicContact CB-CZ3 4.48Å; R590-W599 WeakPolarHBondContact O-CZ2 3.26Å; I591-W599 HydrophobicContact CG1-CD2 4.03Å; I591-W599 HydrophobicContact CG1-CG 3.93Å; E594-W599 HydrophobicContact CB-CZ2 4.23Å; E594-W599 PolarHBondContact O-NE1 3.26Å; E594-W599 VanDerWaalsContact O-NE1 3.11Å; K597-W599 HydrophobicContact CB-CZ2 4.43Å; K597-W599 HydrophobicContact CD-CH2 4.06Å; K597-W599 HydrophobicContact CD-CZ2 3.74Å; K597-W599 HydrophobicContact CG-CZ2 4.41Å; K597-W599 PolarHBondContact O-N 2.95Å; K597-W599 VanDerWaalsContact O-N 3.14Å; W599-P601 VanDerWaalsContact O-CD 3.29Å; W599-P601 WeakPolarHBondContact O-CD 3.35Å
600	T	97.1	Very high	96.8	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-70.8	118	169.7	-57.8	0	0	0	0	108.6	N789 Y792 K793	T600-N789 PolarHBondContact OG1-O 2.93Å; T600-Y792 HydrophobicContact CG2-CD1 3.71Å; T600-Y792 HydrophobicContact CG2-CG 4.45Å; T600-K793 WeakPolarHBondContact OG1-CE 3.43Å
601	P	98.1	Very high	96.3	Very high	42 Å²	42	43.3 Å²	43.3	27%	0.273	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.7	137.9	-177.5	-22.3	34.8	0	0	0	112.2	S562 M563 W599 R640	S562-P601 WeakPolarHBondContact CA-O 3.01Å; S562-P601 WeakPolarHBondContact CB-O 3.15Å; M563-P601 PolarHBondContact N-O 3.01Å; W599-P601 VanDerWaalsContact O-CD 3.29Å; W599-P601 WeakPolarHBondContact O-CD 3.35Å; P601-R640 CarbonylContact C-O 3.58Å; P601-R640 VanDerWaalsContact CA-O 3.25Å; P601-R640 WeakPolarHBondContact CA-O 3.43Å
602	R	98.3	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	178.1	-66.4	-167.5	177	-147.8	6.5	112.5	M563 D565 H583 F587 I604 R640 L641 K642 Q785 N789	M563-R602 HydrophobicContact CB-CG 4.48Å; M563-R602 HydrophobicContact CE-CG 3.92Å; D565-R602 IonicContact OD2-CZ 3.26Å; D565-R602 IonicContact OD2-NH1 2.67Å; D565-R602 PolarHBondContact OD2-NH1 3.23Å; H583-R602 PolarHBondContact CE1-NH1 2.92Å; F587-R602 HydrophobicContact CE1-CB 4.29Å; F587-R602 HydrophobicContact CE1-CG 4.15Å; R602-I604 HydrophobicContact CB-CG1 4.16Å; R602-R640 PolarHBondContact N-O 3.43Å; R602-L641 HydrophobicContact CB-CD1 4.2Å; R602-L641 WeakPolarHBondContact O-CA 3.43Å; R602-K642 PolarHBondContact O-N 3.31Å; R602-Q785 PolarHBondContact NH2-O 3.43Å; R602-Q785 VanDerWaalsContact NH2-O 3.11Å; R602-N789 VanDerWaalsContact CZ-OD1 3.23Å; R602-N789 PolarHBondContact NE-OD1 3.49Å; R602-N789 PolarHBondContact NH2-ND2 2.9Å; R602-N789 PolarHBondContact NH2-OD1 2.85Å
603	T	98.8	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.4	160.7	-60.5	0	0	0	0	107.5	I558 S562 M563 D565 M605 K642 I644	I558-T603 HydrophobicContact CB-CG2 4.15Å; I558-T603 HydrophobicContact CD1-CG2 4.11Å; I558-T603 HydrophobicContact CG2-CG2 3.93Å; S562-T603 PolarHBondContact OG-N 2.67Å; S562-T603 PolarHBondContact OG-OG1 2.86Å; M563-T603 PolarHBondContact O-N 3.19Å; D565-T603 PolarHBondContact N-O 3.43Å; T603-M605 HydrophobicContact CG2-CE 4.13Å; T603-M605 HydrophobicContact CG2-CG 4.01Å; T603-M605 HydrophobicContact CG2-SD 4.32Å; T603-K642 HydrophobicContact CG2-CB 4.31Å; T603-I644 HydrophobicContact CG2-CG1 4.34Å
604	I	98.8	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.9	-179.7	-56.9	178.3	0	0	0	108.5	D565 I584 R602 I606 L641 K642 V643 I644	D565-I604 HydrophobicContact CB-CG1 4Å; D565-I604 CarbonylContact O-C 3.53Å; D565-I604 WeakPolarHBondContact O-CA 3.49Å; I584-I604 HydrophobicContact CD1-CG2 3.82Å; I584-I604 HydrophobicContact CG1-CD1 3.69Å; I584-I604 HydrophobicContact CG1-CG2 4.09Å; R602-I604 HydrophobicContact CB-CG1 4.16Å; I604-I606 HydrophobicContact CG2-CG1 4.44Å; I604-L641 HydrophobicContact CD1-CD1 3.81Å; I604-L641 HydrophobicContact CG1-CD1 4.14Å; I604-K642 PolarHBondContact N-O 3.01Å; I604-V643 CarbonylContact O-C 3.56Å; I604-V643 WeakPolarHBondContact O-CA 3.33Å; I604-I644 PolarHBondContact O-N 2.81Å
605	M	98.8	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.2	-173.2	-65.7	175.8	-93.7	0	0	109.9	F546 L550 F564 D565 V566 Q567 T603 I644 L646	F546-M605 HydrophobicContact CD1-SD 4.29Å; F546-M605 HydrophobicContact CE1-SD 3.59Å; F546-M605 VanDerWaalsContact CE1-SD 3.59Å; L550-M605 HydrophobicContact CD1-SD 4.45Å; F564-M605 HydrophobicContact CB-CE 3.53Å; F564-M605 HydrophobicContact CD1-CE 3.98Å; F564-M605 HydrophobicContact CD2-CE 3.55Å; F564-M605 HydrophobicContact CE2-CE 4.24Å; F564-M605 HydrophobicContact CG-CE 3.41Å; F564-M605 VanDerWaalsContact CG-CE 3.41Å; D565-M605 PolarHBondContact O-N 2.94Å; V566-M605 WeakPolarHBondContact CA-O 3.29Å; V566-M605 HydrophobicContact CG2-CB 4.3Å; V566-M605 HydrophobicContact CG2-CE 3.76Å; Q567-M605 PolarHBondContact N-O 3.42Å; T603-M605 HydrophobicContact CG2-CE 4.13Å; T603-M605 HydrophobicContact CG2-CG 4.01Å; T603-M605 HydrophobicContact CG2-SD 4.32Å; M605-I644 WeakPolarHBondContact CA-O 3.36Å; M605-I644 HydrophobicContact CG-CB 4.28Å; M605-L646 HydrophobicContact CB-CD1 3.97Å; M605-L646 HydrophobicContact CB-CG 4.17Å
606	I	98.8	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.2	177.3	-55.1	177.2	0	0	0	108.3	Q567 Q577 N580 I584 I604 I624 I644 F645 L646	Q567-I606 HydrophobicContact CB-CG1 4.33Å; Q567-I606 WeakPolarHBondContact O-CA 3.18Å; Q577-I606 HydrophobicContact CG-CG2 4.1Å; N580-I606 HydrophobicContact CB-CD1 4.42Å; I584-I606 HydrophobicContact CD1-CD1 3.98Å; I604-I606 HydrophobicContact CG2-CG1 4.44Å; I606-I624 HydrophobicContact CB-CD1 4.28Å; I606-I624 HydrophobicContact CB-CG2 4.23Å; I606-I624 HydrophobicContact CD1-CD1 4.25Å; I606-I624 HydrophobicContact CD1-CG1 4.13Å; I606-I624 HydrophobicContact CD1-CG2 4.2Å; I606-I624 HydrophobicContact CG2-CD1 3.67Å; I606-I644 PolarHBondContact N-O 3.45Å; I606-F645 CarbonylContact O-C 3.5Å; I606-F645 VanDerWaalsContact O-CA 3.26Å; I606-F645 WeakPolarHBondContact O-CA 3.4Å; I606-L646 PolarHBondContact O-N 2.92Å
607	G	97.8	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.4	-179.4	0	0	0	0	0	112.6	Q567 V568 K569	Q567-G607 PolarHBondContact O-N 3.31Å; V568-G607 VanDerWaalsContact CA-O 3.28Å; V568-G607 WeakPolarHBondContact CA-O 3.46Å; K569-G607 PolarHBondContact N-O 2.87Å
608	G	96.3	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.			trans	163	154.2	-177.9	0	0	0	0	0	113	Q169 K569 F645	Q169-G608 PolarHBondContact NE2-O 2.78Å; K569-G608 WeakPolarHBondContact O-CA 3.37Å; G608-F645 WeakPolarHBondContact O-CZ 3.46Å
609	K	94.9	Very high	94.8	Very high	21 Å²	21	23.2 Å²	23.2	9%	0.091	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-92.6	139.5	172.6	-60	-176.6	-177	-175.3	0	109.9	I166 F167 Q169 R570 I571 N648 Y649	I166-K609 HydrophobicContact CD1-CD 4.49Å; I166-K609 HydrophobicContact CG1-CD 3.78Å; F167-K609 HydrophobicContact CE2-CB 4.27Å; F167-K609 HydrophobicContact CE2-CD 4.04Å; F167-K609 HydrophobicContact CE2-CG 4.29Å; F167-K609 HydrophobicContact CZ-CB 3.93Å; F167-K609 HydrophobicContact CZ-CD 4.21Å; F167-K609 HydrophobicContact CZ-CG 4.4Å; F167-K609 WeakPolarHBondContact O-CE 3.15Å; F167-K609 PolarHBondContact O-NZ 3.27Å; Q169-K609 HydrophobicContact CB-CG 4.24Å; R570-K609 WeakPolarHBondContact CG-O 3.21Å; I571-K609 PolarHBondContact N-O 3.09Å; K609-N648 WeakPolarHBondContact CE-OD1 3.26Å; K609-N648 PolarHBondContact NZ-OD1 3.4Å; K609-Y649 WeakPolarHBondContact CE-O 3.5Å
610	A	92.8	Very high	95	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-91.8	144	165.4	0	0	0	0	0	109.5	F167 Q176 I571 A617 K618 I621	F167-A610 VanDerWaalsContact CZ-O 3.26Å; F167-A610 WeakPolarHBondContact CZ-O 3.27Å; Q176-A610 PolarHBondContact NE2-O 2.68Å; I571-A610 HydrophobicContact CB-CB 4.37Å; A610-A617 HydrophobicContact CB-CB 3.6Å; A610-K618 HydrophobicContact CB-CG 3.96Å; A610-I621 HydrophobicContact CB-CD1 3.67Å
611	A	88.2	Confident	95	Very high	45 Å²	45	21.1 Å²	21.1	37%	0.372	13%	0.125	S	C	.	.	P	Polyproline II helix	trans	-62.3	142.5	172.1	0	0	0	0	0	109.8	G613 Y614	A611-G613 PolarHBondContact O-N 2.98Å; A611-G613 VanDerWaalsContact O-N 3.17Å; A611-Y614 PolarHBondContact O-N 3.43Å
612	P	85.2	Confident	95.1	Very high	64 Å²	64	20.8 Å²	20.8	42%	0.416	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.9	-171.4	-26.4	35.4	0	0	0	113.7	F167 E178 K618	F167-P612 HydrophobicContact CD1-CG 4.05Å; F167-P612 HydrophobicContact CE1-CG 3.77Å; E178-P612 HydrophobicContact CG-CB 4.41Å; E178-P612 HydrophobicContact CG-CG 4.16Å; P612-K618 VanDerWaalsContact O-CE 3.29Å; P612-K618 WeakPolarHBondContact O-CE 3.28Å; P612-K618 PolarHBondContact O-NZ 3.07Å
613	G	84.2	Confident	95.1	Very high	38 Å²	38	20.9 Å²	20.9	39%	0.392	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.3	177.6	0	0	0	0	0	115.4	A611 H615	A611-G613 PolarHBondContact O-N 2.98Å; A611-G613 VanDerWaalsContact O-N 3.17Å; G613-H615 PolarHBondContact O-N 3.45Å
614	Y	88.9	Confident	95.1	Very high	52 Å²	52	21 Å²	21	20%	0.204	12%	0.12	C	C	.	.			trans	-94.2	89.6	-175.7	-168.3	2.3	0	0	0	111.2	H572 E573 A611 T616 A617 K618	H572-Y614 AromaticContact CD2-CE2 3.98Å; H572-Y614 PolarHBondContact CE1-OH 3.07Å; H572-Y614 AromaticContact CG-CE2 3.98Å; H572-Y614 AromaticContact ND1-CE2 4Å; H572-Y614 PolarHBondContact ND1-OH 3.02Å; E573-Y614 VanDerWaalsContact CD-OH 3.24Å; E573-Y614 VanDerWaalsContact CG-OH 3.28Å; E573-Y614 WeakPolarHBondContact CG-OH 3.28Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.27Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.3Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.28Å; E573-Y614 PolarHBondContact OE2-OH 3.32Å; A611-Y614 PolarHBondContact O-N 3.43Å; Y614-T616 PolarHBondContact O-N 3.07Å; Y614-A617 HydrophobicContact CD1-CB 4.12Å; Y614-A617 HydrophobicContact CD2-CB 3.51Å; Y614-A617 HydrophobicContact CE1-CB 4.47Å; Y614-A617 HydrophobicContact CE2-CB 3.92Å; Y614-A617 HydrophobicContact CG-CB 3.62Å; Y614-A617 PolarHBondContact O-N 3.24Å; Y614-K618 PolarHBondContact O-N 2.92Å
615	H	92.8	Very high	95.1	Very high	103 Å²	103	21.7 Å²	21.7	48%	0.477	12%	0.124	S	C	.	.	H	α-helix	trans	-55.2	-52.1	-176.3	179	72	0	0	0	113.3	G613 A617 K618 M619 D761	G613-H615 PolarHBondContact O-N 3.45Å; H615-A617 VanDerWaalsContact C-N 3.29Å; H615-A617 PolarHBondContact O-N 3.38Å; H615-K618 WeakPolarHBondContact O-CB 3.45Å; H615-K618 PolarHBondContact O-N 2.69Å; H615-M619 WeakPolarHBondContact NE2-CG 3.36Å; H615-M619 WeakPolarHBondContact O-CG 3.28Å; H615-M619 PolarHBondContact O-N 3.25Å; H615-D761 IonicContact NE2-OD2 3.2Å
616	T	95.2	Very high	95	Very high	33 Å²	33	21.7 Å²	21.7	20%	0.202	12%	0.124	C	C	.	.	H	α-helix	trans	-56.9	-41.4	-179.6	-44.4	0	0	0	0	112.2	E573 Y614 K618 M619 I620 L762 M765	E573-T616 HydrophobicContact CG-CG2 3.86Å; Y614-T616 PolarHBondContact O-N 3.07Å; T616-K618 PolarHBondContact O-N 3.35Å; T616-M619 WeakPolarHBondContact O-CB 3.49Å; T616-M619 PolarHBondContact O-N 2.9Å; T616-I620 HydrophobicContact CG2-CD1 4.46Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.43Å; T616-I620 PolarHBondContact O-N 3.16Å; T616-L762 HydrophobicContact CG2-CD2 3.74Å; T616-M765 HydrophobicContact CG2-CE 4.37Å
617	A	95.9	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-37.4	177.8	0	0	0	0	0	112.6	I571 A610 Y614 H615 I620 I621	I571-A617 HydrophobicContact CB-CB 4.28Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.49Å; A610-A617 HydrophobicContact CB-CB 3.6Å; Y614-A617 HydrophobicContact CD1-CB 4.12Å; Y614-A617 HydrophobicContact CD2-CB 3.51Å; Y614-A617 HydrophobicContact CE1-CB 4.47Å; Y614-A617 HydrophobicContact CE2-CB 3.92Å; Y614-A617 HydrophobicContact CG-CB 3.62Å; Y614-A617 PolarHBondContact O-N 3.24Å; H615-A617 VanDerWaalsContact C-N 3.29Å; H615-A617 PolarHBondContact O-N 3.38Å; A617-I620 PolarHBondContact O-N 2.83Å; A617-I621 PolarHBondContact O-N 2.67Å
618	K	97	Very high	95	Very high	39 Å²	39	21.9 Å²	21.9	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-39.1	172.4	-71	-172	170.9	-169.5	0	112	E178 A610 P612 Y614 H615 T616 I620 I621 R622	E178-K618 WeakPolarHBondContact OE1-CE 3.29Å; E178-K618 IonicContact OE1-NZ 3.13Å; E178-K618 PolarHBondContact OE1-NZ 3.45Å; E178-K618 IonicContact OE2-NZ 3.57Å; E178-K618 PolarHBondContact OE2-NZ 3.12Å; A610-K618 HydrophobicContact CB-CG 3.96Å; P612-K618 VanDerWaalsContact O-CE 3.29Å; P612-K618 WeakPolarHBondContact O-CE 3.28Å; P612-K618 PolarHBondContact O-NZ 3.07Å; Y614-K618 PolarHBondContact O-N 2.92Å; H615-K618 WeakPolarHBondContact O-CB 3.45Å; H615-K618 PolarHBondContact O-N 2.69Å; T616-K618 PolarHBondContact O-N 3.35Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 2.85Å; K618-I621 WeakPolarHBondContact O-CB 3.49Å; K618-I621 PolarHBondContact O-N 3.07Å; K618-R622 PolarHBondContact O-N 2.73Å
619	M	98.1	Very high	95.1	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-39.5	173.7	-69.9	-55.8	-59.2	0	0	112.2	W175 H615 T616 R622 L623 L758 F759 L762	W175-M619 HydrophobicContact CH2-CE 4.16Å; W175-M619 HydrophobicContact CH2-SD 3.37Å; W175-M619 WeakPolarHBondContact CH2-SD 3.42Å; W175-M619 HydrophobicContact CZ3-SD 3.61Å; H615-M619 WeakPolarHBondContact NE2-CG 3.36Å; H615-M619 WeakPolarHBondContact O-CG 3.28Å; H615-M619 PolarHBondContact O-N 3.25Å; T616-M619 WeakPolarHBondContact O-CB 3.49Å; T616-M619 PolarHBondContact O-N 2.9Å; M619-R622 PolarHBondContact O-N 3.35Å; M619-L623 PolarHBondContact O-N 3.39Å; M619-L758 HydrophobicContact CE-CD1 4.18Å; M619-L758 HydrophobicContact CE-CG 4.38Å; M619-L758 WeakPolarHBondContact CE-O 3.34Å; M619-F759 HydrophobicContact CE-CD1 3.89Å; M619-F759 HydrophobicContact CE-CE1 4.27Å; M619-L762 HydrophobicContact CB-CD1 3.98Å; M619-L762 HydrophobicContact CB-CD2 3.91Å; M619-L762 HydrophobicContact CB-CG 3.94Å
620	I	98.6	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-44.2	175.5	-68.6	168.1	0	0	0	111	I571 E573 Q577 L578 T616 A617 K618 R622 L623 I624 L762	I571-I620 HydrophobicContact CG2-CB 3.99Å; I571-I620 HydrophobicContact CG2-CD1 4.44Å; I571-I620 HydrophobicContact CG2-CG2 3.85Å; E573-I620 HydrophobicContact CG-CD1 4.42Å; Q577-I620 HydrophobicContact CB-CG2 3.88Å; L578-I620 HydrophobicContact CD1-CD1 3.92Å; L578-I620 HydrophobicContact CD1-CG1 4.03Å; L578-I620 HydrophobicContact CD2-CG1 3.92Å; L578-I620 HydrophobicContact CG-CD1 3.93Å; L578-I620 HydrophobicContact CG-CG1 3.81Å; T616-I620 HydrophobicContact CG2-CD1 4.46Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.43Å; T616-I620 PolarHBondContact O-N 3.16Å; A617-I620 PolarHBondContact O-N 2.83Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 2.85Å; I620-R622 VanDerWaalsContact C-N 3.31Å; I620-R622 PolarHBondContact O-N 2.7Å; I620-L623 PolarHBondContact O-N 2.85Å; I620-I624 HydrophobicContact CG2-CD1 3.93Å; I620-I624 WeakPolarHBondContact O-CD1 3.24Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.49Å; I620-I624 PolarHBondContact O-N 2.84Å; I620-L762 HydrophobicContact CG1-CD2 4.14Å
621	I	98.6	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-48.4	174.7	-66.3	170.6	0	0	0	110	I171 Q176 I571 A610 A617 K618 L623 I624 T625 F645	I171-I621 HydrophobicContact CD1-CG2 3.95Å; Q176-I621 HydrophobicContact CB-CD1 3.98Å; Q176-I621 VanDerWaalsContact OE1-CD1 3.23Å; I571-I621 HydrophobicContact CG1-CD1 4Å; I571-I621 HydrophobicContact CG1-CG1 3.85Å; I571-I621 HydrophobicContact CG2-CG1 4.4Å; A610-I621 HydrophobicContact CB-CD1 3.67Å; A617-I621 PolarHBondContact O-N 2.67Å; K618-I621 WeakPolarHBondContact O-CB 3.49Å; K618-I621 PolarHBondContact O-N 3.07Å; I621-L623 VanDerWaalsContact C-N 3.29Å; I621-L623 PolarHBondContact O-N 3.08Å; I621-I624 PolarHBondContact O-N 3.08Å; I621-I624 VanDerWaalsContact O-N 3.14Å; I621-T625 PolarHBondContact O-N 2.78Å; I621-T625 VanDerWaalsContact O-N 3.09Å; I621-F645 HydrophobicContact CB-CE2 4.28Å; I621-F645 HydrophobicContact CB-CZ 4.42Å; I621-F645 HydrophobicContact CD1-CZ 4.21Å; I621-F645 HydrophobicContact CG1-CE2 3.93Å; I621-F645 HydrophobicContact CG1-CZ 3.94Å; I621-F645 HydrophobicContact CG2-CD2 4.37Å; I621-F645 HydrophobicContact CG2-CE1 4.23Å; I621-F645 HydrophobicContact CG2-CE2 3.84Å; I621-F645 HydrophobicContact CG2-CZ 3.74Å
622	R	98.4	Very high	95.8	Very high	34 Å²	34	26.7 Å²	26.7	13%	0.128	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-37.3	179.8	177.6	61.9	-167.9	105.4	-4	113	G174 W175 K618 M619 I620 T625 A626 L758 F759	G174-R622 WeakPolarHBondContact O-CA 3.39Å; G174-R622 WeakPolarHBondContact O-CD 3.35Å; W175-R622 HydrophobicContact CD2-CB 4.06Å; W175-R622 HydrophobicContact CD2-CG 3.99Å; W175-R622 HydrophobicContact CE3-CB 3.8Å; W175-R622 HydrophobicContact CE3-CG 4.17Å; W175-R622 HydrophobicContact CH2-CB 4.13Å; W175-R622 HydrophobicContact CH2-CG 3.94Å; W175-R622 HydrophobicContact CZ2-CB 4.35Å; W175-R622 HydrophobicContact CZ2-CG 3.73Å; W175-R622 HydrophobicContact CZ3-CB 3.83Å; W175-R622 HydrophobicContact CZ3-CG 4.14Å; K618-R622 PolarHBondContact O-N 2.73Å; M619-R622 PolarHBondContact O-N 3.35Å; I620-R622 VanDerWaalsContact C-N 3.31Å; I620-R622 PolarHBondContact O-N 2.7Å; R622-T625 PolarHBondContact NH1-OG1 2.93Å; R622-T625 PolarHBondContact O-OG1 3.33Å; R622-A626 VanDerWaalsContact NH1-CB 3.33Å; R622-A626 WeakPolarHBondContact O-CB 3.19Å; R622-A626 PolarHBondContact O-N 2.85Å; R622-L758 HydrophobicContact CG-CD2 4.17Å; R622-F759 HydrophobicContact CB-CE1 4.4Å; R622-F759 HydrophobicContact CG-CE1 3.97Å; R622-F759 HydrophobicContact CG-CZ 4.17Å
623	L	98.7	Very high	96.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-43.2	175.3	179.3	61.9	0	0	0	111.5	L578 M619 I620 I621 T625 A626 I627 I746 F759 L762	L578-L623 HydrophobicContact CD2-CD2 3.74Å; M619-L623 PolarHBondContact O-N 3.39Å; I620-L623 PolarHBondContact O-N 2.85Å; I621-L623 VanDerWaalsContact C-N 3.29Å; I621-L623 PolarHBondContact O-N 3.08Å; L623-T625 VanDerWaalsContact C-N 3.34Å; L623-T625 PolarHBondContact O-N 3.24Å; L623-A626 WeakPolarHBondContact O-CB 3.4Å; L623-A626 PolarHBondContact O-N 3.46Å; L623-I627 HydrophobicContact CD1-CD1 4.08Å; L623-I627 HydrophobicContact CD1-CG1 4.21Å; L623-I627 HydrophobicContact CG-CD1 3.89Å; L623-I627 HydrophobicContact CG-CG1 4.47Å; L623-I627 VanDerWaalsContact O-CG1 3.27Å; L623-I627 WeakPolarHBondContact O-CG1 3.27Å; L623-I627 PolarHBondContact O-N 2.82Å; L623-I746 HydrophobicContact CD1-CG1 4.49Å; L623-I746 HydrophobicContact CD1-CG2 4.49Å; L623-F759 HydrophobicContact CB-CD1 4.13Å; L623-F759 HydrophobicContact CB-CE1 3.69Å; L623-F759 HydrophobicContact CB-CZ 4.14Å; L623-F759 HydrophobicContact CD1-CD1 4.15Å; L623-F759 HydrophobicContact CD1-CD2 4.01Å; L623-F759 HydrophobicContact CD1-CE1 4.04Å; L623-F759 HydrophobicContact CD1-CE2 3.88Å; L623-F759 HydrophobicContact CD1-CG 4.14Å; L623-F759 HydrophobicContact CD1-CZ 3.9Å; L623-F759 HydrophobicContact CG-CE1 4.46Å; L623-L762 HydrophobicContact CB-CD1 4.15Å; L623-L762 HydrophobicContact CD2-CD1 3.94Å
624	I	98.8	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-46.7	178.1	-65.6	157	0	0	0	110.6	Q577 C581 I606 I620 I621 I627 G628 F645	Q577-I624 HydrophobicContact CB-CD1 4.49Å; C581-I624 VanDerWaalsContact SG-CG1 3.52Å; I606-I624 HydrophobicContact CB-CD1 4.28Å; I606-I624 HydrophobicContact CB-CG2 4.23Å; I606-I624 HydrophobicContact CD1-CD1 4.25Å; I606-I624 HydrophobicContact CD1-CG1 4.13Å; I606-I624 HydrophobicContact CD1-CG2 4.2Å; I606-I624 HydrophobicContact CG2-CD1 3.67Å; I620-I624 HydrophobicContact CG2-CD1 3.93Å; I620-I624 WeakPolarHBondContact O-CD1 3.24Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.49Å; I620-I624 PolarHBondContact O-N 2.84Å; I621-I624 PolarHBondContact O-N 3.08Å; I621-I624 VanDerWaalsContact O-N 3.14Å; I624-I627 PolarHBondContact O-N 3.17Å; I624-G628 PolarHBondContact O-N 3.42Å; I624-F645 HydrophobicContact CB-CD2 4.29Å; I624-F645 HydrophobicContact CD1-CD2 4.29Å; I624-F645 HydrophobicContact CD1-CE2 4.31Å; I624-F645 HydrophobicContact CG2-CB 4.31Å; I624-F645 HydrophobicContact CG2-CD2 3.9Å
625	T	98.3	Very high	97.4	Very high	15 Å²	15	32.1 Å²	32.1	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-38.8	178.8	66.6	0	0	0	0	111.4	I171 G174 I621 R622 L623 I627 G628 D629 F645	I171-T625 HydrophobicContact CG2-CG2 4.1Å; G174-T625 WeakPolarHBondContact CA-OG1 3.4Å; G174-T625 PolarHBondContact O-OG1 3.02Å; I621-T625 PolarHBondContact O-N 2.78Å; I621-T625 VanDerWaalsContact O-N 3.09Å; R622-T625 PolarHBondContact NH1-OG1 2.93Å; R622-T625 PolarHBondContact O-OG1 3.33Å; L623-T625 VanDerWaalsContact C-N 3.34Å; L623-T625 PolarHBondContact O-N 3.24Å; T625-I627 PolarHBondContact O-N 3.46Å; T625-G628 CarbonylContact O-C 3.11Å; T625-G628 WeakPolarHBondContact O-CA 3.41Å; T625-G628 PolarHBondContact O-N 2.98Å; T625-G628 VanDerWaalsContact O-N 3.11Å; T625-D629 VanDerWaalsContact O-CG 3.23Å; T625-D629 PolarHBondContact O-N 3.45Å; T625-F645 HydrophobicContact CG2-CB 3.99Å; T625-F645 HydrophobicContact CG2-CG 4.28Å
626	A	98.4	Very high	97.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-43.6	175.6	0	0	0	0	0	112.8	R622 L623 G628 D629 V630 F751 F759	R622-A626 VanDerWaalsContact NH1-CB 3.33Å; R622-A626 WeakPolarHBondContact O-CB 3.19Å; R622-A626 PolarHBondContact O-N 2.85Å; L623-A626 WeakPolarHBondContact O-CB 3.4Å; L623-A626 PolarHBondContact O-N 3.46Å; A626-G628 VanDerWaalsContact C-N 3.31Å; A626-D629 PolarHBondContact O-N 3.3Å; A626-V630 PolarHBondContact O-N 3.26Å; A626-F751 HydrophobicContact CB-CB 4.13Å; A626-F751 WeakPolarHBondContact CB-O 3.3Å; A626-F759 HydrophobicContact CB-CE2 4.02Å; A626-F759 HydrophobicContact CB-CZ 3.75Å
627	I	98.6	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-44.1	174.7	-66.3	163.2	0	0	0	109.5	C581 I584 I585 L623 I624 T625 D629 V630 V631 V643 F751	C581-I627 HydrophobicContact CB-CD1 3.77Å; I584-I627 HydrophobicContact CB-CG2 4.44Å; I584-I627 HydrophobicContact CG2-CG2 3.5Å; I585-I627 HydrophobicContact CD1-CD1 3.85Å; I585-I627 HydrophobicContact CD1-CG1 4.25Å; I585-I627 HydrophobicContact CG1-CD1 4.02Å; I585-I627 HydrophobicContact CG1-CG1 4.22Å; L623-I627 HydrophobicContact CD1-CD1 4.08Å; L623-I627 HydrophobicContact CD1-CG1 4.21Å; L623-I627 HydrophobicContact CG-CD1 3.89Å; L623-I627 HydrophobicContact CG-CG1 4.47Å; L623-I627 VanDerWaalsContact O-CG1 3.27Å; L623-I627 WeakPolarHBondContact O-CG1 3.27Å; L623-I627 PolarHBondContact O-N 2.82Å; I624-I627 PolarHBondContact O-N 3.17Å; T625-I627 PolarHBondContact O-N 3.46Å; I627-D629 PolarHBondContact O-N 2.86Å; I627-V630 PolarHBondContact O-N 3.15Å; I627-V631 HydrophobicContact CG2-CG2 3.93Å; I627-V631 WeakPolarHBondContact O-CB 3.22Å; I627-V631 VanDerWaalsContact O-CG2 3.24Å; I627-V631 WeakPolarHBondContact O-CG2 3.44Å; I627-V631 PolarHBondContact O-N 2.57Å; I627-V643 HydrophobicContact CG2-CG1 4.45Å; I627-F751 HydrophobicContact CB-CD1 4.48Å; I627-F751 HydrophobicContact CG1-CD1 4.06Å; I627-F751 HydrophobicContact CG1-CE1 4.17Å; I627-F751 HydrophobicContact CG1-CG 4.31Å
628	G	97.5	Very high	97.5	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-44.2	174.7	0	0	0	0	0	113.6	I624 T625 A626 V630 V631 N632	I624-G628 PolarHBondContact O-N 3.42Å; T625-G628 CarbonylContact O-C 3.11Å; T625-G628 WeakPolarHBondContact O-CA 3.41Å; T625-G628 PolarHBondContact O-N 2.98Å; T625-G628 VanDerWaalsContact O-N 3.11Å; A626-G628 VanDerWaalsContact C-N 3.31Å; G628-V630 VanDerWaalsContact C-N 3.3Å; G628-V630 PolarHBondContact O-N 2.99Å; G628-V631 PolarHBondContact O-N 3.1Å; G628-N632 WeakPolarHBondContact O-CB 3.16Å; G628-N632 PolarHBondContact O-N 3.2Å; G628-N632 PolarHBondContact O-ND2 3.32Å; G628-N632 VanDerWaalsContact O-ND2 3.1Å
629	D	96.9	Very high	97.4	Very high	90 Å²	90	32.3 Å²	32.3	48%	0.481	19%	0.189	S	C	.	.	H	α-helix	trans	-60.1	-39.6	179.9	-65.6	-29.9	0	0	0	112	T625 A626 I627 N633	T625-D629 VanDerWaalsContact O-CG 3.23Å; T625-D629 PolarHBondContact O-N 3.45Å; A626-D629 PolarHBondContact O-N 3.3Å; I627-D629 PolarHBondContact O-N 2.86Å; D629-N633 WeakPolarHBondContact O-CB 3.5Å; D629-N633 PolarHBondContact O-ND2 3.05Å
630	V	98.1	Very high	97.3	Very high	37 Å²	37	34.1 Å²	34.1	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-75.3	-53.1	177.1	177.3	0	0	0	0	111.1	A626 I627 G628 N632 N633 D634 F750 F751	A626-V630 PolarHBondContact O-N 3.26Å; I627-V630 PolarHBondContact O-N 3.15Å; G628-V630 VanDerWaalsContact C-N 3.3Å; G628-V630 PolarHBondContact O-N 2.99Å; V630-N632 PolarHBondContact O-N 2.95Å; V630-N633 PolarHBondContact O-N 3.49Å; V630-D634 PolarHBondContact O-N 3.16Å; V630-F750 HydrophobicContact CG1-CE1 3.89Å; V630-F750 HydrophobicContact CG1-CZ 4.3Å; V630-F751 HydrophobicContact CB-CD1 4.1Å; V630-F751 HydrophobicContact CB-CE1 4.27Å; V630-F751 HydrophobicContact CG1-CE1 4.4Å; V630-F751 HydrophobicContact CG2-CD1 3.83Å; V630-F751 HydrophobicContact CG2-CE1 4.44Å
631	V	97.9	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-43.8	-172.4	172.9	0	0	0	0	111.7	Y588 I627 G628 N633 D634 V637 L641 V643	Y588-V631 HydrophobicContact CD2-CB 4.45Å; Y588-V631 HydrophobicContact CD2-CG1 4.45Å; Y588-V631 HydrophobicContact CD2-CG2 3.78Å; Y588-V631 HydrophobicContact CE2-CG2 4.35Å; Y588-V631 HydrophobicContact CG-CG2 3.99Å; I627-V631 HydrophobicContact CG2-CG2 3.93Å; I627-V631 WeakPolarHBondContact O-CB 3.22Å; I627-V631 VanDerWaalsContact O-CG2 3.24Å; I627-V631 WeakPolarHBondContact O-CG2 3.44Å; I627-V631 PolarHBondContact O-N 2.57Å; G628-V631 PolarHBondContact O-N 3.1Å; V631-N633 VanDerWaalsContact C-N 3.25Å; V631-N633 PolarHBondContact O-N 3.28Å; V631-D634 PolarHBondContact O-N 3.34Å; V631-V637 HydrophobicContact CG1-CG1 4.48Å; V631-L641 HydrophobicContact CG1-CB 4.25Å; V631-L641 HydrophobicContact CG1-CD2 3.77Å; V631-L641 HydrophobicContact CG1-CG 3.71Å; V631-V643 HydrophobicContact CB-CG2 4.21Å; V631-V643 HydrophobicContact CG1-CG2 3.93Å; V631-V643 HydrophobicContact CG2-CG2 4.43Å
632	N	96.6	Very high	97.2	Very high	39 Å²	39	36 Å²	36	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-21.1	-173.7	-63.9	-27.8	0	0	0	113	G628 V630 K642 V643	G628-N632 WeakPolarHBondContact O-CB 3.16Å; G628-N632 PolarHBondContact O-N 3.2Å; G628-N632 PolarHBondContact O-ND2 3.32Å; G628-N632 VanDerWaalsContact O-ND2 3.1Å; V630-N632 PolarHBondContact O-N 2.95Å; N632-K642 HydrophobicContact CB-CD 4.25Å; N632-K642 PolarHBondContact O-NZ 3.44Å; N632-K642 VanDerWaalsContact OD1-CA 3.3Å; N632-K642 WeakPolarHBondContact OD1-CA 3.43Å; N632-K642 WeakPolarHBondContact OD1-CD 3.43Å; N632-V643 PolarHBondContact ND2-O 2.72Å; N632-V643 PolarHBondContact OD1-N 3.02Å
633	N	96.2	Very high	97.2	Very high	129 Å²	129	34.5 Å²	34.5	69%	0.69	20%	0.199	S	C	*	.	H	α-helix	trans	-103.3	-0.6	-178.4	-66.8	-55.7	0	0	0	113.6	D629 V630 V631 P635	D629-N633 WeakPolarHBondContact O-CB 3.5Å; D629-N633 PolarHBondContact O-ND2 3.05Å; V630-N633 PolarHBondContact O-N 3.49Å; V631-N633 VanDerWaalsContact C-N 3.25Å; V631-N633 PolarHBondContact O-N 3.28Å; N633-P635 WeakPolarHBondContact O-CD 3.49Å
634	D	97.4	Very high	97.2	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.112	20%	0.202	C	C	.	.			trans	-78.9	115.3	176.8	-169.2	-46.8	0	0	0	111.2	Y588 K592 V630 V631 V636 V637 G638	Y588-D634 HydrophobicContact CE2-CB 4.14Å; Y588-D634 PolarHBondContact OH-OD2 2.94Å; K592-D634 WeakPolarHBondContact CD-OD2 3.38Å; K592-D634 WeakPolarHBondContact CE-OD2 3.46Å; K592-D634 VanDerWaalsContact NZ-CG 3.34Å; K592-D634 IonicContact NZ-OD1 3.98Å; K592-D634 PolarHBondContact NZ-OD1 2.61Å; K592-D634 VanDerWaalsContact NZ-OD1 3.15Å; K592-D634 IonicContact NZ-OD2 3.49Å; K592-D634 PolarHBondContact NZ-OD2 2.52Å; V630-D634 PolarHBondContact O-N 3.16Å; V631-D634 PolarHBondContact O-N 3.34Å; D634-V636 VanDerWaalsContact C-N 3.26Å; D634-V636 PolarHBondContact O-N 2.91Å; D634-V636 WeakPolarHBondContact OD1-CA 3.39Å; D634-V636 VanDerWaalsContact OD1-CB 3.22Å; D634-V636 WeakPolarHBondContact OD1-CB 3.45Å; D634-V636 PolarHBondContact OD1-N 3.44Å; D634-V637 HydrophobicContact CB-CB 4.16Å; D634-V637 HydrophobicContact CB-CG2 3.81Å; D634-V637 PolarHBondContact O-N 3.01Å; D634-V637 VanDerWaalsContact O-N 3.16Å; D634-V637 PolarHBondContact OD1-N 3.49Å; D634-G638 PolarHBondContact O-N 2.96Å
635	P	96.4	Very high	97.2	Very high	119 Å²	119	36.4 Å²	36.4	77%	0.773	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.3	-176.9	29	-35.5	0	0	0	113.1	N633	N633-P635 WeakPolarHBondContact O-CD 3.49Å
636	V	96.8	Very high	97.2	Very high	60 Å²	60	35.8 Å²	35.8	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-40.4	174.2	-178.7	0	0	0	0	109.1	K592 P595 D634 R640	K592-V636 HydrophobicContact CD-CB 4.31Å; K592-V636 HydrophobicContact CD-CG1 4.39Å; P595-V636 HydrophobicContact CB-CG1 3.61Å; D634-V636 VanDerWaalsContact C-N 3.26Å; D634-V636 PolarHBondContact O-N 2.91Å; D634-V636 WeakPolarHBondContact OD1-CA 3.39Å; D634-V636 VanDerWaalsContact OD1-CB 3.22Å; D634-V636 WeakPolarHBondContact OD1-CB 3.45Å; D634-V636 PolarHBondContact OD1-N 3.44Å; V636-R640 PolarHBondContact O-NH2 2.67Å
637	V	96.8	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-44.8	179.2	176.6	0	0	0	0	111.2	Y588 I591 K592 V631 D634 D639 R640 L641	Y588-V637 HydrophobicContact CD2-CG2 3.64Å; Y588-V637 HydrophobicContact CE2-CG2 3.58Å; I591-V637 HydrophobicContact CG2-CG2 4.28Å; K592-V637 HydrophobicContact CD-CG2 4.33Å; V631-V637 HydrophobicContact CG1-CG1 4.48Å; D634-V637 HydrophobicContact CB-CB 4.16Å; D634-V637 HydrophobicContact CB-CG2 3.81Å; D634-V637 PolarHBondContact O-N 3.01Å; D634-V637 VanDerWaalsContact O-N 3.16Å; D634-V637 PolarHBondContact OD1-N 3.49Å; V637-D639 PolarHBondContact O-N 3.36Å; V637-R640 WeakPolarHBondContact O-CB 3.47Å; V637-R640 PolarHBondContact O-N 2.9Å; V637-R640 PolarHBondContact O-NE 2.78Å; V637-L641 HydrophobicContact CG1-CB 3.74Å
638	G	93.1	Very high	97	Very high	33 Å²	33	37.8 Å²	37.8	34%	0.34	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-125.3	178.9	0	0	0	0	0	112.6	D634 K642	D634-G638 PolarHBondContact O-N 2.96Å; G638-K642 WeakPolarHBondContact O-CE 3.22Å; G638-K642 PolarHBondContact O-NZ 2.88Å
639	D	94.2	Very high	96.9	Very high	85 Å²	85	39.3 Å²	39.3	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5.6	179.3	73.6	-31.5	0	0	0	113.4	N559 V637	N559-D639 HydrophobicContact CB-CB 4.49Å; N559-D639 PolarHBondContact ND2-OD2 3.44Å; V637-D639 PolarHBondContact O-N 3.36Å
640	R	96.6	Very high	96.9	Very high	44 Å²	44	38.1 Å²	38.1	17%	0.166	21%	0.207	C	C	.	.	S	Bend	trans	-74.8	-27.8	-177.5	-61.5	-179.2	-73.6	-176.3	-3.3	113	P595 P601 R602 V636 V637	P595-R640 PolarHBondContact O-NH1 2.91Å; P595-R640 PolarHBondContact O-NH2 2.81Å; P595-R640 VanDerWaalsContact O-NH2 3.15Å; P601-R640 CarbonylContact C-O 3.58Å; P601-R640 VanDerWaalsContact CA-O 3.25Å; P601-R640 WeakPolarHBondContact CA-O 3.43Å; R602-R640 PolarHBondContact N-O 3.43Å; V636-R640 PolarHBondContact O-NH2 2.67Å; V637-R640 WeakPolarHBondContact O-CB 3.47Å; V637-R640 PolarHBondContact O-N 2.9Å; V637-R640 PolarHBondContact O-NE 2.78Å
641	L	98.2	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126	175	-179.5	59.5	0	0	0	109.4	F587 I591 R602 I604 V631 V637 V643	F587-L641 HydrophobicContact CB-CD2 4.5Å; F587-L641 HydrophobicContact CD1-CB 4.47Å; F587-L641 HydrophobicContact CD1-CD1 3.73Å; F587-L641 HydrophobicContact CD1-CD2 3.8Å; F587-L641 HydrophobicContact CD1-CG 4.2Å; F587-L641 HydrophobicContact CE1-CB 4.39Å; F587-L641 HydrophobicContact CE1-CD1 4.02Å; F587-L641 HydrophobicContact CG-CD2 4.48Å; I591-L641 HydrophobicContact CD1-CB 4.03Å; I591-L641 HydrophobicContact CD1-CD2 4.39Å; R602-L641 HydrophobicContact CB-CD1 4.2Å; R602-L641 WeakPolarHBondContact O-CA 3.43Å; I604-L641 HydrophobicContact CD1-CD1 3.81Å; I604-L641 HydrophobicContact CG1-CD1 4.14Å; V631-L641 HydrophobicContact CG1-CB 4.25Å; V631-L641 HydrophobicContact CG1-CD2 3.77Å; V631-L641 HydrophobicContact CG1-CG 3.71Å; V637-L641 HydrophobicContact CG1-CB 3.74Å; L641-V643 HydrophobicContact CD1-CG2 4.47Å; L641-V643 HydrophobicContact CG-CG2 4.41Å
642	K	97.8	Very high	96.7	Very high	39 Å²	39	36.7 Å²	36.7	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.8	167.5	-67.8	-62.7	-177.6	-164.5	0	109.8	R602 T603 I604 N632 G638	R602-K642 PolarHBondContact O-N 3.31Å; T603-K642 HydrophobicContact CG2-CB 4.31Å; I604-K642 PolarHBondContact N-O 3.01Å; N632-K642 HydrophobicContact CB-CD 4.25Å; N632-K642 PolarHBondContact O-NZ 3.44Å; N632-K642 VanDerWaalsContact OD1-CA 3.3Å; N632-K642 WeakPolarHBondContact OD1-CA 3.43Å; N632-K642 WeakPolarHBondContact OD1-CD 3.43Å; G638-K642 WeakPolarHBondContact O-CE 3.22Å; G638-K642 PolarHBondContact O-NZ 2.88Å
643	V	98.4	Very high	96.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	111.2	-178.2	179.6	0	0	0	0	108.5	I584 I604 I627 V631 N632 L641	I584-V643 HydrophobicContact CD1-CG1 4.08Å; I584-V643 HydrophobicContact CD1-CG2 4.47Å; I584-V643 HydrophobicContact CG2-CG1 4.48Å; I584-V643 HydrophobicContact CG2-CG2 3.39Å; I604-V643 CarbonylContact O-C 3.56Å; I604-V643 WeakPolarHBondContact O-CA 3.33Å; I627-V643 HydrophobicContact CG2-CG1 4.45Å; V631-V643 HydrophobicContact CB-CG2 4.21Å; V631-V643 HydrophobicContact CG1-CG2 3.93Å; V631-V643 HydrophobicContact CG2-CG2 4.43Å; N632-V643 PolarHBondContact ND2-O 2.72Å; N632-V643 PolarHBondContact OD1-N 3.02Å; L641-V643 HydrophobicContact CD1-CG2 4.47Å; L641-V643 HydrophobicContact CG-CG2 4.41Å
644	I	98.1	Very high	96.8	Very high	15 Å²	15	29 Å²	29	8%	0.077	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130	-172.6	-52.1	-52.4	0	0	0	109.6	V556 I558 T603 I604 M605 I606 L646	V556-I644 HydrophobicContact CG1-CD1 3.44Å; V556-I644 VanDerWaalsContact CG1-CD1 3.44Å; V556-I644 HydrophobicContact CG1-CG1 4.18Å; I558-I644 HydrophobicContact CG2-CD1 4.45Å; I558-I644 HydrophobicContact CG2-CG1 4.18Å; T603-I644 HydrophobicContact CG2-CG1 4.34Å; I604-I644 PolarHBondContact O-N 2.81Å; M605-I644 WeakPolarHBondContact CA-O 3.36Å; M605-I644 HydrophobicContact CG-CB 4.28Å; I606-I644 PolarHBondContact N-O 3.45Å; I644-L646 HydrophobicContact CG2-CD2 4.19Å
645	F	98.3	Very high	96.8	Very high	28 Å²	28	29 Å²	29	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.6	166	-170.7	-89.5	0	0	0	109.8	I171 I606 G608 I621 I624 T625 E647	I171-F645 HydrophobicContact CD1-CD1 3.91Å; I171-F645 HydrophobicContact CD1-CE1 3.59Å; I171-F645 HydrophobicContact CD1-CZ 4.39Å; I171-F645 HydrophobicContact CG1-CD1 3.81Å; I171-F645 HydrophobicContact CG1-CE1 3.92Å; I606-F645 CarbonylContact O-C 3.5Å; I606-F645 VanDerWaalsContact O-CA 3.26Å; I606-F645 WeakPolarHBondContact O-CA 3.4Å; G608-F645 WeakPolarHBondContact O-CZ 3.46Å; I621-F645 HydrophobicContact CB-CE2 4.28Å; I621-F645 HydrophobicContact CB-CZ 4.42Å; I621-F645 HydrophobicContact CD1-CZ 4.21Å; I621-F645 HydrophobicContact CG1-CE2 3.93Å; I621-F645 HydrophobicContact CG1-CZ 3.94Å; I621-F645 HydrophobicContact CG2-CD2 4.37Å; I621-F645 HydrophobicContact CG2-CE1 4.23Å; I621-F645 HydrophobicContact CG2-CE2 3.84Å; I621-F645 HydrophobicContact CG2-CZ 3.74Å; I624-F645 HydrophobicContact CB-CD2 4.29Å; I624-F645 HydrophobicContact CD1-CD2 4.29Å; I624-F645 HydrophobicContact CD1-CE2 4.31Å; I624-F645 HydrophobicContact CG2-CB 4.31Å; I624-F645 HydrophobicContact CG2-CD2 3.9Å; T625-F645 HydrophobicContact CG2-CB 3.99Å; T625-F645 HydrophobicContact CG2-CG 4.28Å; F645-E647 PolarHBondContact O-N 2.93Å
646	L	98	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	97.8	179	-63.3	-179.6	0	0	0	110.3	F546 L550 V568 M605 I606 I644 L653 V657	F546-L646 HydrophobicContact CE1-CD2 4.5Å; F546-L646 HydrophobicContact CZ-CD1 4.36Å; F546-L646 HydrophobicContact CZ-CD2 4.13Å; L550-L646 HydrophobicContact CD2-CD2 3.83Å; V568-L646 HydrophobicContact CG1-CD1 3.83Å; M605-L646 HydrophobicContact CB-CD1 3.97Å; M605-L646 HydrophobicContact CB-CG 4.17Å; I606-L646 PolarHBondContact O-N 2.92Å; I644-L646 HydrophobicContact CG2-CD2 4.19Å; L646-L653 HydrophobicContact CB-CD2 4.13Å; L646-V657 HydrophobicContact CD1-CB 4.46Å; L646-V657 HydrophobicContact CD1-CG2 3.83Å
647	E	97.1	Very high	97	Very high	30 Å²	30	23.2 Å²	23.2	14%	0.14	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	137	179.8	173.8	179.2	118.1	0	0	112.5	Q169 K170 I171 Y554 F645	Q169-E647 WeakPolarHBondContact O-CG 3.36Å; K170-E647 WeakPolarHBondContact CD-OE1 3.25Å; K170-E647 IonicContact NZ-OE1 2.64Å; K170-E647 PolarHBondContact NZ-OE1 3.33Å; I171-E647 HydrophobicContact CG1-CB 4.15Å; I171-E647 HydrophobicContact CG1-CG 4.24Å; I171-E647 PolarHBondContact N-OE2 3.41Å; Y554-E647 HydrophobicContact CE1-CB 3.88Å; Y554-E647 PolarHBondContact OH-O 3.13Å; F645-E647 PolarHBondContact O-N 2.93Å
648	N	96.1	Very high	97.1	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.07	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	47.5	172.4	-159.4	23	0	0	0	113.9	N168 Q169 K609 R650	N168-N648 PolarHBondContact OD1-ND2 3.17Å; Q169-N648 HydrophobicContact CB-CB 4.12Å; Q169-N648 PolarHBondContact N-OD1 3.22Å; Q169-N648 WeakPolarHBondContact O-CB 3.34Å; K609-N648 WeakPolarHBondContact CE-OD1 3.26Å; K609-N648 PolarHBondContact NZ-OD1 3.4Å; N648-R650 PolarHBondContact ND2-NH1 2.97Å; N648-R650 VanDerWaalsContact ND2-NH1 3.15Å; N648-R650 WeakPolarHBondContact O-CG 3.22Å; N648-R650 PolarHBondContact O-N 3.49Å; N648-R650 VanDerWaalsContact O-N 3.16Å; N648-R650 PolarHBondContact O-NH1 3.27Å
649	Y	96.9	Very high	97.4	Very high	36 Å²	36	21.8 Å²	21.8	14%	0.141	10%	0.099	C	C	.	.			trans	-53.4	121.1	173.5	-179.4	-112.1	0	0	0	111.7	V568 K609 L653 A654	V568-Y649 HydrophobicContact CB-CD1 4.44Å; V568-Y649 HydrophobicContact CB-CD2 3.85Å; V568-Y649 HydrophobicContact CB-CE1 4.15Å; V568-Y649 HydrophobicContact CB-CE2 3.54Å; V568-Y649 HydrophobicContact CB-CG 4.29Å; V568-Y649 HydrophobicContact CG1-CD2 4.11Å; V568-Y649 HydrophobicContact CG1-CE2 4.16Å; V568-Y649 HydrophobicContact CG2-CD2 4.42Å; V568-Y649 HydrophobicContact CG2-CE2 3.65Å; K609-Y649 WeakPolarHBondContact CE-O 3.5Å; Y649-L653 HydrophobicContact CD2-CB 4.46Å; Y649-L653 HydrophobicContact CD2-CD2 4.38Å; Y649-L653 HydrophobicContact CD2-CG 4.48Å; Y649-A654 HydrophobicContact CE2-CB 3.64Å
650	R	95.6	Very high	97.6	Very high	65 Å²	65	17.8 Å²	17.8	25%	0.245	8%	0.078	C	C	.	.			trans	-152.4	178.7	-175.8	64.2	-169.9	179.1	-84.2	7.2	110.2	Y91 D129 N648 T652 L653 A654	Y91-R650 VanDerWaalsContact OH-CA 3.28Å; Y91-R650 WeakPolarHBondContact OH-CA 3.34Å; Y91-R650 VanDerWaalsContact OH-CB 3.3Å; Y91-R650 WeakPolarHBondContact OH-CB 3.37Å; D129-R650 IonicContact OD1-NE 2.7Å; N648-R650 PolarHBondContact ND2-NH1 2.97Å; N648-R650 VanDerWaalsContact ND2-NH1 3.15Å; N648-R650 WeakPolarHBondContact O-CG 3.22Å; N648-R650 PolarHBondContact O-N 3.49Å; N648-R650 VanDerWaalsContact O-N 3.16Å; N648-R650 PolarHBondContact O-NH1 3.27Å; R650-T652 VanDerWaalsContact C-N 3.34Å; R650-T652 PolarHBondContact O-N 3.09Å; R650-L653 HydrophobicContact CG-CB 4.44Å; R650-L653 PolarHBondContact O-N 2.64Å; R650-L653 VanDerWaalsContact O-N 3.13Å; R650-A654 WeakPolarHBondContact O-CB 3.23Å; R650-A654 PolarHBondContact O-N 3.17Å
651	V	96.8	Very high	97.7	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.03	7%	0.07	C	C	.	.	H	α-helix	trans	-57	-47.7	-176.5	177.9	0	0	0	0	111.1	Y91 W492 L653 A654 E655	Y91-V651 HydrophobicContact CD1-CG2 3.63Å; Y91-V651 HydrophobicContact CD2-CG2 4.16Å; Y91-V651 HydrophobicContact CE1-CG2 3.81Å; Y91-V651 HydrophobicContact CE2-CG2 4.33Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å; W492-V651 HydrophobicContact CH2-CG1 4.11Å; W492-V651 HydrophobicContact CZ2-CG1 4.44Å; V651-L653 VanDerWaalsContact C-N 3.33Å; V651-L653 PolarHBondContact O-N 2.97Å; V651-A654 WeakPolarHBondContact O-CB 3.33Å; V651-A654 PolarHBondContact O-N 3.24Å; V651-A654 VanDerWaalsContact O-N 3.11Å; V651-E655 HydrophobicContact CG1-CG 4.49Å; V651-E655 WeakPolarHBondContact CG1-OE1 3.29Å; V651-E655 WeakPolarHBondContact O-CG 3.33Å; V651-E655 PolarHBondContact O-N 3.3Å
652	T	95.8	Very high	97.7	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-38.8	176.8	-69.9	0	0	0	0	113.6	R94 D129 R650 K656	R94-T652 WeakPolarHBondContact CD-OG1 3.24Å; R94-T652 PolarHBondContact NE-OG1 3.01Å; D129-T652 VanDerWaalsContact CG-OG1 3.22Å; D129-T652 VanDerWaalsContact OD1-CB 3.22Å; D129-T652 WeakPolarHBondContact OD1-CB 3.08Å; D129-T652 PolarHBondContact OD1-OG1 2.94Å; D129-T652 PolarHBondContact OD2-N 2.86Å; D129-T652 PolarHBondContact OD2-OG1 3.24Å; R650-T652 VanDerWaalsContact C-N 3.34Å; R650-T652 PolarHBondContact O-N 3.09Å; T652-K656 PolarHBondContact O-N 3.4Å
653	L	96.8	Very high	97.8	Very high	5 Å²	5	14 Å²	14	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-72.9	-35	177	-172.6	59.5	0	0	0	111.3	F546 L646 Y649 R650 V651 E655 K656 V657	F546-L653 HydrophobicContact CE2-CD1 4.23Å; L646-L653 HydrophobicContact CB-CD2 4.13Å; Y649-L653 HydrophobicContact CD2-CB 4.46Å; Y649-L653 HydrophobicContact CD2-CD2 4.38Å; Y649-L653 HydrophobicContact CD2-CG 4.48Å; R650-L653 HydrophobicContact CG-CB 4.44Å; R650-L653 PolarHBondContact O-N 2.64Å; R650-L653 VanDerWaalsContact O-N 3.13Å; V651-L653 VanDerWaalsContact C-N 3.33Å; V651-L653 PolarHBondContact O-N 2.97Å; L653-E655 VanDerWaalsContact C-N 3.34Å; L653-K656 PolarHBondContact O-N 2.99Å; L653-K656 VanDerWaalsContact O-N 3.15Å; L653-V657 WeakPolarHBondContact O-CG1 3.5Å; L653-V657 PolarHBondContact O-N 3.17Å
654	A	98.3	Very high	97.8	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-42.9	174.2	0	0	0	0	0	111.7	W492 Y649 R650 V651 K656 V657 I658	W492-A654 HydrophobicContact CH2-CB 3.98Å; W492-A654 HydrophobicContact CZ3-CB 3.97Å; Y649-A654 HydrophobicContact CE2-CB 3.64Å; R650-A654 WeakPolarHBondContact O-CB 3.23Å; R650-A654 PolarHBondContact O-N 3.17Å; V651-A654 WeakPolarHBondContact O-CB 3.33Å; V651-A654 PolarHBondContact O-N 3.24Å; V651-A654 VanDerWaalsContact O-N 3.11Å; A654-K656 PolarHBondContact O-N 2.94Å; A654-V657 PolarHBondContact O-N 3.45Å; A654-I658 HydrophobicContact CB-CD1 3.9Å; A654-I658 VanDerWaalsContact O-CB 3.26Å; A654-I658 WeakPolarHBondContact O-CB 3.46Å; A654-I658 WeakPolarHBondContact O-CD1 3.23Å; A654-I658 WeakPolarHBondContact O-CG1 3.32Å; A654-I658 PolarHBondContact O-N 3.02Å
655	E	97.9	Very high	97.8	Very high	20 Å²	20	13.1 Å²	13.1	9%	0.093	6%	0.058	C	C	.	.	H	α-helix	trans	-60.5	-24.1	175.7	-70.5	167.1	177.9	0	0	112.7	R491 W492 C496 V651 L653 P659	R491-E655 VanDerWaalsContact CD-OE1 3.29Å; R491-E655 WeakPolarHBondContact CD-OE1 3.42Å; R491-E655 WeakPolarHBondContact CG-OE1 3.3Å; R491-E655 IonicContact CZ-OE1 2.72Å; R491-E655 IonicContact NE-OE1 3.47Å; R491-E655 IonicContact NH1-OE1 3.42Å; R491-E655 PolarHBondContact NH1-OE1 2.97Å; W492-E655 HydrophobicContact CH2-CG 4.4Å; W492-E655 HydrophobicContact CZ3-CG 3.98Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.24Å; C496-E655 WeakPolarHBondContact CB-O 3.42Å; V651-E655 HydrophobicContact CG1-CG 4.49Å; V651-E655 WeakPolarHBondContact CG1-OE1 3.29Å; V651-E655 WeakPolarHBondContact O-CG 3.33Å; V651-E655 PolarHBondContact O-N 3.3Å; L653-E655 VanDerWaalsContact C-N 3.34Å; E655-P659 VanDerWaalsContact O-CD 3.24Å; E655-P659 WeakPolarHBondContact O-CD 3.39Å; E655-P659 VanDerWaalsContact O-CG 3.3Å; E655-P659 WeakPolarHBondContact O-CG 3.18Å
656	K	97.6	Very high	97.8	Very high	57 Å²	57	12.4 Å²	12.4	25%	0.248	6%	0.055	C	C	.	.	H	α-helix	trans	-90.8	-46.2	177.3	-67.9	179.7	163.4	104.9	0	113	D125 F546 T652 L653 A654	D125-K656 IonicContact OD1-NZ 3.51Å; D125-K656 PolarHBondContact OD1-NZ 2.95Å; D125-K656 IonicContact OD2-NZ 3.39Å; F546-K656 HydrophobicContact CD2-CB 4Å; F546-K656 HydrophobicContact CE2-CB 4.07Å; T652-K656 PolarHBondContact O-N 3.4Å; L653-K656 PolarHBondContact O-N 2.99Å; L653-K656 VanDerWaalsContact O-N 3.15Å; A654-K656 PolarHBondContact O-N 2.94Å
657	V	98.6	Very high	97.9	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-78.5	-33.9	-173.9	71.7	0	0	0	0	113.3	F546 V566 V568 L646 L653 A654 A660 A661	F546-V657 HydrophobicContact CE1-CB 4.34Å; F546-V657 HydrophobicContact CE1-CG2 3.87Å; F546-V657 HydrophobicContact CE2-CB 3.84Å; F546-V657 HydrophobicContact CE2-CG2 4.28Å; F546-V657 HydrophobicContact CZ-CB 3.72Å; F546-V657 HydrophobicContact CZ-CG2 3.68Å; V566-V657 HydrophobicContact CG1-CG2 3.8Å; V566-V657 HydrophobicContact CG2-CG2 4.18Å; V568-V657 HydrophobicContact CG1-CG1 4.47Å; V568-V657 HydrophobicContact CG2-CG1 4.2Å; L646-V657 HydrophobicContact CD1-CB 4.46Å; L646-V657 HydrophobicContact CD1-CG2 3.83Å; L653-V657 WeakPolarHBondContact O-CG1 3.5Å; L653-V657 PolarHBondContact O-N 3.17Å; A654-V657 PolarHBondContact O-N 3.45Å; V657-A660 PolarHBondContact O-N 2.99Å; V657-A661 PolarHBondContact O-N 3.41Å; V657-A661 VanDerWaalsContact O-N 3.09Å
658	I	98.8	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.2	-47.2	-176	-67.8	168.5	0	0	0	111.9	W492 A654 A660 A661 K681 F682 N685	W492-I658 HydrophobicContact CE3-CD1 4.22Å; W492-I658 HydrophobicContact CZ3-CD1 3.92Å; A654-I658 HydrophobicContact CB-CD1 3.9Å; A654-I658 VanDerWaalsContact O-CB 3.26Å; A654-I658 WeakPolarHBondContact O-CB 3.46Å; A654-I658 WeakPolarHBondContact O-CD1 3.23Å; A654-I658 WeakPolarHBondContact O-CG1 3.32Å; A654-I658 PolarHBondContact O-N 3.02Å; I658-A660 PolarHBondContact O-N 2.95Å; I658-A661 PolarHBondContact O-N 3.42Å; I658-K681 HydrophobicContact CD1-CB 3.85Å; I658-K681 HydrophobicContact CD1-CD 3.71Å; I658-K681 HydrophobicContact CD1-CG 4.41Å; I658-K681 HydrophobicContact CG2-CB 4.02Å; I658-K681 WeakPolarHBondContact CG2-O 3.13Å; I658-F682 HydrophobicContact CB-CD1 4.44Å; I658-F682 HydrophobicContact CB-CE1 4.19Å; I658-F682 HydrophobicContact CG1-CD1 4.36Å; I658-F682 HydrophobicContact CG1-CE1 3.86Å; I658-F682 HydrophobicContact CG1-CE2 4.16Å; I658-F682 HydrophobicContact CG1-CZ 3.75Å; I658-F682 HydrophobicContact CG2-CD1 4.08Å; I658-F682 HydrophobicContact CG2-CE1 4.33Å; I658-F682 HydrophobicContact CG2-CG 4.43Å; I658-N685 HydrophobicContact CG2-CB 3.91Å
659	P	98.8	Very high	97.9	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.019	5%	0.046	C	C	.	.	H	α-helix	trans	-60.6	-26.9	175.3	-25.4	36.2	0	0	0	114.1	C496 N497 K539 N542 E655	C496-P659 HydrophobicContact CB-CG 4.14Å; C496-P659 WeakPolarHBondContact O-CG 3.03Å; N497-P659 HydrophobicContact CB-CB 4.11Å; N497-P659 HydrophobicContact CB-CG 4.13Å; K539-P659 PolarHBondContact NZ-O 3.32Å; N542-P659 HydrophobicContact CB-CB 4.24Å; N542-P659 WeakPolarHBondContact CB-O 3.3Å; N542-P659 PolarHBondContact ND2-O 3.35Å; E655-P659 VanDerWaalsContact O-CD 3.24Å; E655-P659 WeakPolarHBondContact O-CD 3.39Å; E655-P659 VanDerWaalsContact O-CG 3.3Å; E655-P659 WeakPolarHBondContact O-CG 3.18Å
660	A	98.8	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-88.8	-17.6	-177.1	0	0	0	0	0	114.3	N542 K543 F546 F564 V657 I658	N542-A660 HydrophobicContact CB-CB 4.49Å; K543-A660 HydrophobicContact CG-CB 4.46Å; K543-A660 WeakPolarHBondContact CG-O 2.95Å; F546-A660 HydrophobicContact CB-CB 3.6Å; F546-A660 HydrophobicContact CD1-CB 4.3Å; F546-A660 HydrophobicContact CG-CB 4Å; F564-A660 HydrophobicContact CD2-CB 4.21Å; F564-A660 WeakPolarHBondContact CD2-O 3.06Å; F564-A660 HydrophobicContact CE2-CB 4.46Å; V657-A660 PolarHBondContact O-N 2.99Å; I658-A660 PolarHBondContact O-N 2.95Å
661	A	98.9	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.			trans	-71.7	142.3	-175.8	0	0	0	0	0	112.7	K539 V566 V657 I658 F682 A687	K539-A661 WeakPolarHBondContact CE-O 3.47Å; K539-A661 PolarHBondContact NZ-O 3.45Å; V566-A661 HydrophobicContact CB-CB 4.05Å; V566-A661 HydrophobicContact CG2-CB 3.62Å; V657-A661 PolarHBondContact O-N 3.41Å; V657-A661 VanDerWaalsContact O-N 3.09Å; I658-A661 PolarHBondContact O-N 3.42Å; A661-F682 HydrophobicContact CB-CD1 3.72Å; A661-F682 HydrophobicContact CB-CE1 3.39Å; A661-A687 HydrophobicContact CB-CB 4.2Å; A661-A687 WeakPolarHBondContact O-CB 3.48Å
662	D	98.9	Very high	97.4	Very high	5 Å²	5	7.4 Å²	7.4	3%	0.027	4%	0.042	C	C	.	.	S	Bend	trans	-96.9	-43.7	170.6	-63.9	-54.7	0	0	0	110.4	K539 K543 M563 F564 A687 L688 Y792 W798	K539-D662 WeakPolarHBondContact CG-OD1 3.45Å; K543-D662 VanDerWaalsContact CE-OD2 3.31Å; K543-D662 WeakPolarHBondContact CE-OD2 3.32Å; K543-D662 IonicContact NZ-OD1 3.76Å; K543-D662 IonicContact NZ-OD2 3.9Å; K543-D662 PolarHBondContact NZ-OD2 3.04Å; M563-D662 HydrophobicContact CG-CB 3.78Å; F564-D662 PolarHBondContact N-OD2 3.44Å; F564-D662 PolarHBondContact O-N 3.21Å; D662-A687 CarbonylContact O-C 3.53Å; D662-A687 VanDerWaalsContact O-CA 3.31Å; D662-A687 WeakPolarHBondContact O-CA 3.27Å; D662-L688 PolarHBondContact O-N 2.98Å; D662-Y792 HydrophobicContact CB-CE2 4.21Å; D662-W798 HydrophobicContact CB-CZ2 4.01Å; D662-W798 WeakPolarHBondContact O-CZ2 3.26Å
663	L	98.9	Very high	97.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.4	-179.6	-171.8	73	0	0	0	110.7	M563 F564 D565 V566 L688 I690 F710 V788	M563-L663 HydrophobicContact CE-CD2 4.1Å; M563-L663 HydrophobicContact SD-CB 4.28Å; F564-L663 PolarHBondContact O-N 2.91Å; D565-L663 HydrophobicContact CB-CD2 4.48Å; V566-L663 PolarHBondContact N-O 3.19Å; L663-L688 CarbonylContact C-O 3.29Å; L663-L688 WeakPolarHBondContact CA-O 3.36Å; L663-I690 HydrophobicContact CD1-CB 4.11Å; L663-I690 HydrophobicContact CD1-CG2 3.88Å; L663-I690 HydrophobicContact CD2-CG2 3.85Å; L663-I690 HydrophobicContact CG-CG2 3.81Å; L663-F710 HydrophobicContact CD1-CD2 4.43Å; L663-V788 HydrophobicContact CD1-CG1 3.89Å; L663-V788 HydrophobicContact CD1-CG2 4.15Å; L663-V788 HydrophobicContact CD2-CG1 3.91Å; L663-V788 HydrophobicContact CG-CG1 4.45Å
664	S	98.8	Very high	96.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.7	178	-169.9	0	0	0	0	111.7	Q666 F682 L688 I690	S664-Q666 PolarHBondContact OG-NE2 3.23Å; S664-F682 WeakPolarHBondContact OG-CB 3.33Å; S664-F682 WeakPolarHBondContact OG-CD2 3.41Å; S664-F682 WeakPolarHBondContact OG-CG 3.41Å; S664-L688 PolarHBondContact N-O 3.07Å; S664-I690 PolarHBondContact O-N 3.44Å
665	E	98.8	Very high	96.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	103.6	-177.5	-69.3	-68.9	166.9	0	0	112.3	D565 V566 Q567 K569 I667 I690 Y781 Q785	D565-E665 WeakPolarHBondContact OD1-CG 3.31Å; V566-E665 PolarHBondContact O-N 3.2Å; Q567-E665 HydrophobicContact CB-CB 3.6Å; Q567-E665 HydrophobicContact CB-CG 4.08Å; Q567-E665 HydrophobicContact CG-CB 3.67Å; K569-E665 PolarHBondContact NZ-O 3.46Å; E665-I667 WeakPolarHBondContact OE2-CG2 2.96Å; E665-I690 VanDerWaalsContact CD-CG2 3.41Å; E665-I690 HydrophobicContact CG-CG2 4.37Å; E665-I690 WeakPolarHBondContact OE1-CG2 3.38Å; E665-I690 VanDerWaalsContact OE2-CG2 3.29Å; E665-I690 WeakPolarHBondContact OE2-CG2 3.41Å; E665-Y781 VanDerWaalsContact CD-OH 3.28Å; E665-Y781 PolarHBondContact OE1-OH 3.05Å; E665-Y781 PolarHBondContact OE2-OH 3.27Å; E665-Y781 VanDerWaalsContact OE2-OH 3.09Å; E665-Q785 PolarHBondContact OE1-NE2 3.28Å
666	Q	98.4	Very high	96	Very high	12 Å²	12	8.9 Å²	8.9	6%	0.056	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	56.9	-178.4	-52.1	-59	-21.4	0	0	111.4	S664 N679 T689 I690 G691 T692 N697	S664-Q666 PolarHBondContact OG-NE2 3.23Å; Q666-N679 HydrophobicContact CG-CB 3.67Å; Q666-T689 HydrophobicContact CB-CG2 3.99Å; Q666-T689 HydrophobicContact CG-CG2 3.7Å; Q666-I690 PolarHBondContact N-O 3.24Å; Q666-G691 WeakPolarHBondContact O-CA 3.44Å; Q666-T692 PolarHBondContact O-N 3.46Å; Q666-N697 WeakPolarHBondContact CB-ND2 3.3Å; Q666-N697 PolarHBondContact O-ND2 3.27Å
667	I	98.6	Very high	95.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.046	C	C	.	.			trans	-102.1	33.8	-163.2	63.2	174.7	0	0	0	114.4	R576 L579 N580 E665 F712 Y781	R576-I667 HydrophobicContact CB-CG1 4.45Å; R576-I667 PolarHBondContact NE-O 2.93Å; R576-I667 PolarHBondContact NH2-O 2.9Å; R576-I667 WeakPolarHBondContact O-CD1 3.36Å; L579-I667 HydrophobicContact CB-CD1 4.22Å; L579-I667 HydrophobicContact CD2-CD1 4.35Å; L579-I667 HydrophobicContact CG-CD1 4.4Å; N580-I667 HydrophobicContact CB-CD1 4.05Å; E665-I667 WeakPolarHBondContact OE2-CG2 2.96Å; I667-F712 HydrophobicContact CB-CE1 4.45Å; I667-F712 HydrophobicContact CB-CZ 3.99Å; I667-F712 HydrophobicContact CG2-CE1 3.67Å; I667-F712 HydrophobicContact CG2-CZ 3.62Å; I667-Y781 HydrophobicContact CG2-CE2 4Å
668	S	97.7	Very high	95.8	Very high	4 Å²	4	7.5 Å²	7.5	3%	0.028	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-63.8	157.1	175	43.2	0	0	0	0	111.8	Y574 R576 A670 E673 T692 D694	Y574-S668 VanDerWaalsContact O-CA 3.27Å; Y574-S668 WeakPolarHBondContact O-CA 3.5Å; Y574-S668 WeakPolarHBondContact O-CB 3.49Å; R576-S668 PolarHBondContact NH2-O 3.08Å; S668-A670 PolarHBondContact O-N 3.01Å; S668-E673 WeakPolarHBondContact OG-CB 3.46Å; S668-T692 WeakPolarHBondContact O-CB 3.43Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.25Å; S668-T692 PolarHBondContact O-OG1 3.08Å; S668-D694 VanDerWaalsContact CB-OD2 3.3Å; S668-D694 WeakPolarHBondContact CB-OD2 3.3Å; S668-D694 PolarHBondContact OG-OD2 2.8Å
669	T	97.4	Very high	95.7	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-65.8	133.8	171.8	-51.3	0	0	0	0	109.1	Y574 R576 G671 T672 D694 V719 F772	Y574-T669 PolarHBondContact O-N 3.19Å; R576-T669 WeakPolarHBondContact CD-OG1 3.31Å; T669-G671 PolarHBondContact O-N 3.47Å; T669-T672 WeakPolarHBondContact O-CB 3.39Å; T669-T672 WeakPolarHBondContact O-CG2 3.5Å; T669-T672 PolarHBondContact O-N 3.38Å; T669-T672 VanDerWaalsContact O-N 3.09Å; T669-T672 PolarHBondContact O-OG1 3.01Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; T669-V719 HydrophobicContact CG2-CG2 4.16Å; T669-F772 WeakPolarHBondContact OG1-CB 3.38Å; T669-F772 PolarHBondContact OG1-O 2.95Å
670	A	95.6	Very high	95.7	Very high	4 Å²	4	7.4 Å²	7.4	3%	0.033	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.7	-177.6	0	0	0	0	0	112	S668 M714 V716 V719	S668-A670 PolarHBondContact O-N 3.01Å; A670-M714 WeakPolarHBondContact CB-O 3.42Å; A670-V716 HydrophobicContact CB-CG2 4.11Å; A670-V719 HydrophobicContact CB-CG2 4.4Å
671	G	91	Very high	95.7	Very high	17 Å²	17	7.9 Å²	7.9	18%	0.175	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	1.7	-178	0	0	0	0	0	114.6	V380 T669 D694	V380-G671 VanDerWaalsContact CG2-O 3.25Å; V380-G671 WeakPolarHBondContact CG2-O 3.46Å; T669-G671 PolarHBondContact O-N 3.47Å; G671-D694 WeakPolarHBondContact CA-OD1 3.44Å; G671-D694 PolarHBondContact N-OD1 3.36Å
672	T	91	Very high	95.7	Very high	19 Å²	19	8 Å²	8	12%	0.117	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-36.4	-176.9	65.3	0	0	0	0	113.9	Y574 T669 D694 F772	Y574-T672 WeakPolarHBondContact CD2-OG1 3.48Å; T669-T672 WeakPolarHBondContact O-CB 3.39Å; T669-T672 WeakPolarHBondContact O-CG2 3.5Å; T669-T672 PolarHBondContact O-N 3.38Å; T669-T672 VanDerWaalsContact O-N 3.09Å; T669-T672 PolarHBondContact O-OG1 3.01Å; T672-D694 PolarHBondContact N-OD1 2.86Å; T672-F772 HydrophobicContact CG2-CD1 4.25Å; T672-F772 HydrophobicContact CG2-CE1 4.3Å
673	E	90.4	Very high	95.7	Very high	36 Å²	36	7.7 Å²	7.7	17%	0.168	5%	0.054	C	C	.	.			trans	-86.1	114	174	-169.7	88.4	-141.7	0	0	109.7	Y574 K575 S668 S675 D694 G695	Y574-E673 WeakPolarHBondContact CE2-OE2 3.49Å; K575-E673 IonicContact NZ-OE1 3.98Å; K575-E673 PolarHBondContact NZ-OE1 3.16Å; K575-E673 IonicContact NZ-OE2 2.78Å; K575-E673 PolarHBondContact NZ-OE2 3.45Å; S668-E673 WeakPolarHBondContact OG-CB 3.46Å; E673-S675 PolarHBondContact O-N 3.34Å; E673-S675 VanDerWaalsContact O-N 3.14Å; E673-D694 WeakPolarHBondContact CB-OD2 3.27Å; E673-D694 PolarHBondContact N-OD2 3.34Å; E673-G695 WeakPolarHBondContact O-CA 3.27Å; E673-G695 PolarHBondContact O-N 2.9Å
674	A	89.1	Confident	95.7	Very high	11 Å²	11	7.7 Å²	7.7	9%	0.091	5%	0.054	C	C	.	.	S	Bend	trans	-58.8	-30.4	179.5	0	0	0	0	0	113.5	H378 V456 A457 H460	H378-A674 VanDerWaalsContact O-CB 3.26Å; H378-A674 WeakPolarHBondContact O-CB 3.45Å; V456-A674 HydrophobicContact CG2-CB 3.7Å; A457-A674 WeakPolarHBondContact CB-O 3.42Å; H460-A674 HydrophobicContact CB-CB 4.45Å; H460-A674 WeakPolarHBondContact CB-O 3.06Å; H460-A674 WeakPolarHBondContact CD2-CB 3.42Å
675	S	91.3	Very high	95.7	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.021	5%	0.054	C	C	.	.			trans	-160.7	-65.4	179.9	168.4	0	0	0	0	111.2	V456 N485 E673 N679 A696	V456-S675 WeakPolarHBondContact O-CB 3.4Å; V456-S675 PolarHBondContact O-OG 3.27Å; N485-S675 WeakPolarHBondContact ND2-CB 3.39Å; N485-S675 PolarHBondContact ND2-OG 2.87Å; E673-S675 PolarHBondContact O-N 3.34Å; E673-S675 VanDerWaalsContact O-N 3.14Å; S675-N679 PolarHBondContact O-ND2 3.31Å; S675-A696 VanDerWaalsContact O-CB 3.31Å; S675-A696 WeakPolarHBondContact O-CB 3.37Å; S675-A696 PolarHBondContact O-N 3.5Å
676	G	88.6	Confident	95.7	Very high	12 Å²	12	7.9 Å²	7.9	12%	0.124	6%	0.055	C	C	.	.			trans	80.2	132	-166.1	0	0	0	0	0	111.7	N679	G676-N679 PolarHBondContact O-OD1 3.1Å
677	T	94.4	Very high	95.7	Very high	14 Å²	14	7.3 Å²	7.3	9%	0.086	5%	0.053	C	C	.	.	S	Bend	trans	-117.7	-8.5	174.1	55	0	0	0	0	112.7	L140 N485 N679 M680 K681	L140-T677 HydrophobicContact CD1-CG2 4.36Å; N485-T677 HydrophobicContact CB-CG2 3.97Å; T677-N679 WeakPolarHBondContact CA-OD1 3.36Å; T677-N679 PolarHBondContact N-OD1 3.18Å; T677-M680 HydrophobicContact CG2-SD 4.42Å; T677-K681 WeakPolarHBondContact O-CE 3.37Å; T677-K681 WeakPolarHBondContact O-CG 3.5Å
678	G	96.9	Very high	95.7	Very high	16 Å²	16	7.3 Å²	7.3	17%	0.165	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-45.1	172.6	0	0	0	0	0	111.3	M680 K681 F682	G678-M680 VanDerWaalsContact C-N 3.33Å; G678-M680 PolarHBondContact O-N 3.33Å; G678-K681 WeakPolarHBondContact O-CB 3.47Å; G678-K681 PolarHBondContact O-N 3.16Å; G678-F682 WeakPolarHBondContact O-CD2 3.19Å; G678-F682 PolarHBondContact O-N 3.18Å; G678-F682 VanDerWaalsContact O-N 3.09Å
679	N	97.9	Very high	95.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-48.9	-48.2	174.4	56	-5.3	0	0	0	112.8	Q666 S675 G676 T677 K681 F682 M683 N697 M700	Q666-N679 HydrophobicContact CG-CB 3.67Å; S675-N679 PolarHBondContact O-ND2 3.31Å; G676-N679 PolarHBondContact O-OD1 3.1Å; T677-N679 WeakPolarHBondContact CA-OD1 3.36Å; T677-N679 PolarHBondContact N-OD1 3.18Å; N679-K681 VanDerWaalsContact C-N 3.31Å; N679-K681 PolarHBondContact O-N 3.08Å; N679-F682 PolarHBondContact O-N 3.46Å; N679-M683 WeakPolarHBondContact O-CB 3.27Å; N679-M683 PolarHBondContact O-N 3.02Å; N679-N697 PolarHBondContact ND2-OD1 3.06Å; N679-M700 HydrophobicContact CB-CE 3.93Å; N679-M700 HydrophobicContact CB-SD 3.56Å; N679-M700 VanDerWaalsContact CB-SD 3.56Å; N679-M700 VanDerWaalsContact CG-SD 3.55Å
680	M	98.6	Very high	95.8	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-38.7	177.5	-59.6	170	-174.7	0	0	112.1	N485 I487 T677 G678 L684 A696 F812	N485-M680 HydrophobicContact CB-CE 4.08Å; I487-M680 HydrophobicContact CD1-CB 3.87Å; I487-M680 HydrophobicContact CG1-CB 4.12Å; I487-M680 HydrophobicContact CG2-CB 4.24Å; I487-M680 HydrophobicContact CG2-SD 4.41Å; T677-M680 HydrophobicContact CG2-SD 4.42Å; G678-M680 VanDerWaalsContact C-N 3.33Å; G678-M680 PolarHBondContact O-N 3.33Å; M680-L684 WeakPolarHBondContact O-CB 3.42Å; M680-L684 PolarHBondContact O-N 3.12Å; M680-A696 HydrophobicContact CE-CB 3.51Å; M680-F812 HydrophobicContact CB-CB 4.08Å; M680-F812 HydrophobicContact CE-CD1 3.79Å; M680-F812 HydrophobicContact CE-CE1 4.45Å; M680-F812 HydrophobicContact CG-CB 3.83Å; M680-F812 HydrophobicContact CG-CD1 4Å; M680-F812 HydrophobicContact CG-CG 3.93Å; M680-F812 HydrophobicContact SD-CB 3.95Å; M680-F812 HydrophobicContact SD-CD1 4.1Å; M680-F812 HydrophobicContact SD-CG 4.32Å
681	K	98.8	Very high	95.9	Very high	10 Å²	10	6.9 Å²	6.9	4%	0.043	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-41.3	-179.1	-59.2	166.2	-169.8	-174.6	0	111.3	I487 W492 I658 T677 G678 N679 L684 N685	I487-K681 HydrophobicContact CB-CG 4.49Å; I487-K681 VanDerWaalsContact CD1-CA 3.48Å; I487-K681 HydrophobicContact CD1-CB 4.06Å; I487-K681 HydrophobicContact CD1-CG 3.57Å; I487-K681 HydrophobicContact CG2-CG 4.01Å; W492-K681 HydrophobicContact CB-CG 4.34Å; W492-K681 HydrophobicContact CD2-CD 3.67Å; W492-K681 HydrophobicContact CD2-CG 3.87Å; W492-K681 VanDerWaalsContact CE2-CE 3.45Å; W492-K681 HydrophobicContact CE3-CD 3.73Å; W492-K681 HydrophobicContact CE3-CG 4.13Å; W492-K681 HydrophobicContact CG-CD 4.27Å; W492-K681 HydrophobicContact CG-CG 3.96Å; W492-K681 HydrophobicContact CH2-CD 4.14Å; W492-K681 HydrophobicContact CZ2-CD 4.08Å; W492-K681 HydrophobicContact CZ3-CD 3.96Å; I658-K681 HydrophobicContact CD1-CB 3.85Å; I658-K681 HydrophobicContact CD1-CD 3.71Å; I658-K681 HydrophobicContact CD1-CG 4.41Å; I658-K681 HydrophobicContact CG2-CB 4.02Å; I658-K681 WeakPolarHBondContact CG2-O 3.13Å; T677-K681 WeakPolarHBondContact O-CE 3.37Å; T677-K681 WeakPolarHBondContact O-CG 3.5Å; G678-K681 WeakPolarHBondContact O-CB 3.47Å; G678-K681 PolarHBondContact O-N 3.16Å; N679-K681 VanDerWaalsContact C-N 3.31Å; N679-K681 PolarHBondContact O-N 3.08Å; K681-L684 PolarHBondContact O-N 3.07Å; K681-N685 WeakPolarHBondContact O-CB 3.29Å; K681-N685 PolarHBondContact O-N 2.99Å; K681-N685 VanDerWaalsContact O-N 3.14Å; K681-N685 PolarHBondContact O-ND2 2.93Å
682	F	98.9	Very high	96.3	Very high	1 Å²	1	6 Å²	6	0%	0.004	4%	0.041	C	C	.	.	H	α-helix	trans	-64.1	-45.5	176.2	-80.2	-68.6	0	0	0	111.5	V566 V568 I658 A661 S664 G678 N679 L684 N685 G686 A687	V566-F682 HydrophobicContact CB-CE1 4.32Å; V566-F682 HydrophobicContact CB-CZ 4.31Å; V566-F682 HydrophobicContact CG1-CE1 4.25Å; V566-F682 HydrophobicContact CG1-CZ 3.88Å; V568-F682 HydrophobicContact CG2-CE2 3.96Å; V568-F682 HydrophobicContact CG2-CZ 3.69Å; I658-F682 HydrophobicContact CB-CD1 4.44Å; I658-F682 HydrophobicContact CB-CE1 4.19Å; I658-F682 HydrophobicContact CG1-CD1 4.36Å; I658-F682 HydrophobicContact CG1-CE1 3.86Å; I658-F682 HydrophobicContact CG1-CE2 4.16Å; I658-F682 HydrophobicContact CG1-CZ 3.75Å; I658-F682 HydrophobicContact CG2-CD1 4.08Å; I658-F682 HydrophobicContact CG2-CE1 4.33Å; I658-F682 HydrophobicContact CG2-CG 4.43Å; A661-F682 HydrophobicContact CB-CD1 3.72Å; A661-F682 HydrophobicContact CB-CE1 3.39Å; S664-F682 WeakPolarHBondContact OG-CB 3.33Å; S664-F682 WeakPolarHBondContact OG-CD2 3.41Å; S664-F682 WeakPolarHBondContact OG-CG 3.41Å; G678-F682 WeakPolarHBondContact O-CD2 3.19Å; G678-F682 PolarHBondContact O-N 3.18Å; G678-F682 VanDerWaalsContact O-N 3.09Å; N679-F682 PolarHBondContact O-N 3.46Å; F682-L684 PolarHBondContact O-N 3.25Å; F682-N685 CarbonylContact O-C 3.57Å; F682-N685 PolarHBondContact O-N 3.42Å; F682-G686 PolarHBondContact O-N 2.81Å; F682-A687 HydrophobicContact CB-CB 4.04Å; F682-A687 HydrophobicContact CD1-CB 3.92Å; F682-A687 HydrophobicContact CG-CB 4.45Å; F682-A687 PolarHBondContact O-N 3.18Å
683	M	98.8	Very high	96.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.4	-48.8	175	-174.1	-176.8	-172.8	0	0	111.8	N679 N685 G686 M700 A704 N805 C809 F812	N679-M683 WeakPolarHBondContact O-CB 3.27Å; N679-M683 PolarHBondContact O-N 3.02Å; M683-N685 VanDerWaalsContact C-N 3.25Å; M683-N685 PolarHBondContact O-N 3.23Å; M683-G686 PolarHBondContact O-N 2.86Å; M683-M700 HydrophobicContact CB-CE 3.94Å; M683-M700 HydrophobicContact CG-CE 4.33Å; M683-M700 HydrophobicContact SD-CB 4.06Å; M683-M700 HydrophobicContact SD-CE 3.89Å; M683-M700 HydrophobicContact SD-CG 3.77Å; M683-M700 HydrophobicContact SD-SD 4.45Å; M683-A704 HydrophobicContact CE-CB 3.75Å; M683-N805 WeakPolarHBondContact CE-O 3.22Å; M683-N805 HydrophobicContact CG-CB 4.12Å; M683-N805 WeakPolarHBondContact CG-O 3.42Å; M683-C809 HydrophobicContact CE-CB 4.39Å; M683-C809 HydrophobicContact CG-CB 4.15Å; M683-C809 HydrophobicContact SD-CB 4.19Å; M683-F812 HydrophobicContact CE-CE2 4.19Å; M683-F812 HydrophobicContact SD-CD2 3.95Å; M683-F812 HydrophobicContact SD-CE2 3.8Å
684	L	98.8	Very high	96.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.1	-29.8	179.4	-172.5	59.5	0	0	0	113.3	I487 P489 L493 L516 L519 M680 K681 F682 C809	I487-L684 HydrophobicContact CD1-CB 4.5Å; I487-L684 HydrophobicContact CD1-CD2 4.08Å; P489-L684 HydrophobicContact CB-CD2 4.5Å; L493-L684 HydrophobicContact CB-CD2 3.9Å; L493-L684 HydrophobicContact CB-CG 4.18Å; L493-L684 HydrophobicContact CD2-CD1 4Å; L493-L684 HydrophobicContact CD2-CD2 4.48Å; L493-L684 HydrophobicContact CD2-CG 4.2Å; L516-L684 HydrophobicContact CD1-CD1 4.35Å; L516-L684 HydrophobicContact CD2-CD1 4.28Å; L519-L684 HydrophobicContact CD1-CD1 3.69Å; M680-L684 WeakPolarHBondContact O-CB 3.42Å; M680-L684 PolarHBondContact O-N 3.12Å; K681-L684 PolarHBondContact O-N 3.07Å; F682-L684 PolarHBondContact O-N 3.25Å; L684-C809 HydrophobicContact CD1-CB 4.13Å
685	N	98.8	Very high	96.9	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.6	-179.4	-77.4	-85.2	0	0	0	113.6	W492 N497 K539 I658 K681 F682 M683	W492-N685 PolarHBondContact O-ND2 2.84Å; N497-N685 WeakPolarHBondContact CB-OD1 3.5Å; N497-N685 PolarHBondContact ND2-OD1 3.34Å; K539-N685 PolarHBondContact NZ-O 2.88Å; I658-N685 HydrophobicContact CG2-CB 3.91Å; K681-N685 WeakPolarHBondContact O-CB 3.29Å; K681-N685 PolarHBondContact O-N 2.99Å; K681-N685 VanDerWaalsContact O-N 3.14Å; K681-N685 PolarHBondContact O-ND2 2.93Å; F682-N685 CarbonylContact O-C 3.57Å; F682-N685 PolarHBondContact O-N 3.42Å; M683-N685 VanDerWaalsContact C-N 3.25Å; M683-N685 PolarHBondContact O-N 3.23Å
686	G	98.1	Very high	97.1	Very high	3 Å²	3	3.5 Å²	3.5	3%	0.031	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	34.3	174	0	0	0	0	0	115	F682 M683 V802	F682-G686 PolarHBondContact O-N 2.81Å; M683-G686 PolarHBondContact O-N 2.86Å; G686-V802 VanDerWaalsContact CA-CG1 3.46Å; G686-V802 WeakPolarHBondContact O-CG1 3.43Å; G686-V802 WeakPolarHBondContact O-CG2 3.46Å
687	A	98.8	Very high	97.6	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.021	C	C	.	.			trans	-94.1	138.9	161.8	0	0	0	0	0	109.5	A661 D662 F682	A661-A687 HydrophobicContact CB-CB 4.2Å; A661-A687 WeakPolarHBondContact O-CB 3.48Å; D662-A687 CarbonylContact O-C 3.53Å; D662-A687 VanDerWaalsContact O-CA 3.31Å; D662-A687 WeakPolarHBondContact O-CA 3.27Å; F682-A687 HydrophobicContact CB-CB 4.04Å; F682-A687 HydrophobicContact CD1-CB 3.92Å; F682-A687 HydrophobicContact CG-CB 4.45Å; F682-A687 PolarHBondContact O-N 3.18Å
688	L	98.8	Very high	97.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	149.5	171.7	-63.3	-173.8	0	0	0	110	D662 L663 S664 F710 L791 W798 K801 V802 N805	D662-L688 PolarHBondContact O-N 2.98Å; L663-L688 CarbonylContact C-O 3.29Å; L663-L688 WeakPolarHBondContact CA-O 3.36Å; S664-L688 PolarHBondContact N-O 3.07Å; L688-F710 HydrophobicContact CB-CD2 4.42Å; L688-F710 HydrophobicContact CB-CE2 4.2Å; L688-F710 HydrophobicContact CD1-CE2 3.81Å; L688-L791 HydrophobicContact CD1-CD2 3.97Å; L688-W798 HydrophobicContact CB-CH2 4.22Å; L688-W798 HydrophobicContact CB-CZ2 4.17Å; L688-W798 HydrophobicContact CD1-CD2 3.78Å; L688-W798 HydrophobicContact CD1-CE3 3.78Å; L688-W798 HydrophobicContact CD1-CH2 3.81Å; L688-W798 HydrophobicContact CD1-CZ2 3.8Å; L688-W798 HydrophobicContact CD1-CZ3 3.8Å; L688-W798 HydrophobicContact CG-CH2 4.27Å; L688-W798 HydrophobicContact CG-CZ2 3.95Å; L688-K801 HydrophobicContact CD1-CB 4.15Å; L688-K801 HydrophobicContact CD2-CB 3.99Å; L688-V802 HydrophobicContact CD2-CG2 3.87Å; L688-V802 HydrophobicContact CG-CG2 3.94Å; L688-N805 WeakPolarHBondContact CD2-ND2 3.35Å
689	T	98.8	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.2	-177.3	-59.6	0	0	0	0	110.4	Q666 M700 F710	Q666-T689 HydrophobicContact CB-CG2 3.99Å; Q666-T689 HydrophobicContact CG-CG2 3.7Å; T689-M700 HydrophobicContact CG2-CE 4.42Å; T689-F710 WeakPolarHBondContact O-CB 3.44Å; T689-F710 PolarHBondContact O-N 3.47Å
690	I	98.8	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.1	160.2	-177.4	169.5	0	0	0	108.4	L663 S664 E665 Q666 F710 F712 Y781 C784 Q785 V788	L663-I690 HydrophobicContact CD1-CB 4.11Å; L663-I690 HydrophobicContact CD1-CG2 3.88Å; L663-I690 HydrophobicContact CD2-CG2 3.85Å; L663-I690 HydrophobicContact CG-CG2 3.81Å; S664-I690 PolarHBondContact O-N 3.44Å; E665-I690 VanDerWaalsContact CD-CG2 3.41Å; E665-I690 HydrophobicContact CG-CG2 4.37Å; E665-I690 WeakPolarHBondContact OE1-CG2 3.38Å; E665-I690 VanDerWaalsContact OE2-CG2 3.29Å; E665-I690 WeakPolarHBondContact OE2-CG2 3.41Å; Q666-I690 PolarHBondContact N-O 3.24Å; I690-F710 WeakPolarHBondContact CA-O 3.4Å; I690-F710 HydrophobicContact CB-CB 3.92Å; I690-F710 HydrophobicContact CG1-CB 4.06Å; I690-F712 HydrophobicContact CD1-CD1 4.38Å; I690-F712 HydrophobicContact CD1-CE1 4.42Å; I690-F712 HydrophobicContact CG1-CD1 3.84Å; I690-F712 HydrophobicContact CG1-CE1 3.82Å; I690-Y781 HydrophobicContact CD1-CD2 4Å; I690-Y781 HydrophobicContact CD1-CE2 3.73Å; I690-Y781 HydrophobicContact CG1-CE2 4.32Å; I690-C784 HydrophobicContact CD1-CB 4.11Å; I690-Q785 HydrophobicContact CD1-CG 3.81Å; I690-V788 HydrophobicContact CD1-CG2 4.31Å
691	G	98.2	Very high	97.6	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	169.1	-172.2	0	0	0	0	0	114.7	Q666 F710 I711 F712	Q666-G691 WeakPolarHBondContact O-CA 3.44Å; G691-F710 PolarHBondContact N-O 3.23Å; G691-I711 WeakPolarHBondContact O-CA 3.22Å; G691-F712 WeakPolarHBondContact O-CD1 3.34Å; G691-F712 PolarHBondContact O-N 3.29Å; G691-F712 VanDerWaalsContact O-N 3.14Å
692	T	98.3	Very high	97.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.033	C	C	.	.			trans	-84.4	164.4	170.8	49.7	0	0	0	0	110.8	Q666 S668 D694 N697 F712	Q666-T692 PolarHBondContact O-N 3.46Å; S668-T692 WeakPolarHBondContact O-CB 3.43Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.25Å; S668-T692 PolarHBondContact O-OG1 3.08Å; T692-D694 PolarHBondContact O-N 3.48Å; T692-D694 WeakPolarHBondContact OG1-CB 3.49Å; T692-N697 WeakPolarHBondContact O-CB 3.32Å; T692-N697 PolarHBondContact O-ND2 3.35Å; T692-F712 HydrophobicContact CG2-CE2 4.34Å; T692-F712 HydrophobicContact CG2-CZ 4.23Å
693	M	96.6	Very high	97.5	Very high	13 Å²	13	9.3 Å²	9.3	6%	0.064	5%	0.046	C	C	.	.	S	Bend	trans	-75.8	66.3	169.9	-70.1	-63.7	-83.8	0	0	110.7	V698 I711 R715	M693-V698 HydrophobicContact CB-CG2 4.17Å; M693-V698 HydrophobicContact CE-CB 4.32Å; M693-V698 HydrophobicContact CE-CG1 3.97Å; M693-V698 HydrophobicContact CE-CG2 4.15Å; M693-V698 HydrophobicContact SD-CG2 4.38Å; M693-I711 HydrophobicContact CG-CG2 3.54Å; M693-I711 HydrophobicContact SD-CD1 4.06Å; M693-I711 HydrophobicContact SD-CG1 4.18Å; M693-I711 HydrophobicContact SD-CG2 3.85Å; M693-R715 HydrophobicContact CB-CG 4.47Å
694	D	94.3	Very high	97.3	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.011	5%	0.049	C	C	.	.			trans	-127.5	148.9	-176.4	-165.1	26	0	0	0	111.6	S668 T669 G671 T672 E673 T692 A696 N697	S668-D694 VanDerWaalsContact CB-OD2 3.3Å; S668-D694 WeakPolarHBondContact CB-OD2 3.3Å; S668-D694 PolarHBondContact OG-OD2 2.8Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; G671-D694 WeakPolarHBondContact CA-OD1 3.44Å; G671-D694 PolarHBondContact N-OD1 3.36Å; T672-D694 PolarHBondContact N-OD1 2.86Å; E673-D694 WeakPolarHBondContact CB-OD2 3.27Å; E673-D694 PolarHBondContact N-OD2 3.34Å; T692-D694 PolarHBondContact O-N 3.48Å; T692-D694 WeakPolarHBondContact OG1-CB 3.49Å; D694-A696 PolarHBondContact O-N 3.2Å; D694-N697 VanDerWaalsContact O-CB 3.23Å; D694-N697 WeakPolarHBondContact O-CB 3.41Å; D694-N697 PolarHBondContact O-N 2.93Å
695	G	93.4	Very high	97.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-128.4	178.4	0	0	0	0	0	114.2	I459 E673 N697	I459-G695 WeakPolarHBondContact CG2-O 3.4Å; E673-G695 WeakPolarHBondContact O-CA 3.27Å; E673-G695 PolarHBondContact O-N 2.9Å; G695-N697 VanDerWaalsContact C-N 3.31Å; G695-N697 PolarHBondContact O-N 3.45Å
696	A	95.5	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.5	-179.4	0	0	0	0	0	113.7	S675 M680 D694 V698 E699 M700	S675-A696 VanDerWaalsContact O-CB 3.31Å; S675-A696 WeakPolarHBondContact O-CB 3.37Å; S675-A696 PolarHBondContact O-N 3.5Å; M680-A696 HydrophobicContact CE-CB 3.51Å; D694-A696 PolarHBondContact O-N 3.2Å; A696-V698 PolarHBondContact O-N 3.22Å; A696-E699 PolarHBondContact O-N 3.44Å; A696-M700 VanDerWaalsContact O-CG 3.27Å; A696-M700 WeakPolarHBondContact O-CG 3.43Å; A696-M700 PolarHBondContact O-N 3.39Å
697	N	97.2	Very high	97	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-34.2	175	-62.1	-9.9	0	0	0	111	Q666 N679 T692 D694 G695 M700 A701	Q666-N697 WeakPolarHBondContact CB-ND2 3.3Å; Q666-N697 PolarHBondContact O-ND2 3.27Å; N679-N697 PolarHBondContact ND2-OD1 3.06Å; T692-N697 WeakPolarHBondContact O-CB 3.32Å; T692-N697 PolarHBondContact O-ND2 3.35Å; D694-N697 VanDerWaalsContact O-CB 3.23Å; D694-N697 WeakPolarHBondContact O-CB 3.41Å; D694-N697 PolarHBondContact O-N 2.93Å; G695-N697 VanDerWaalsContact C-N 3.31Å; G695-N697 PolarHBondContact O-N 3.45Å; N697-M700 PolarHBondContact O-N 3.31Å; N697-A701 WeakPolarHBondContact O-CB 3.45Å; N697-A701 PolarHBondContact O-N 2.62Å
698	V	96.8	Very high	96.9	Very high	16 Å²	16	21.8 Å²	21.8	10%	0.097	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-51.1	175.6	-179.5	0	0	0	0	110.4	I459 M693 A696 M700 A701 E702	I459-V698 HydrophobicContact CD1-CG2 4.3Å; M693-V698 HydrophobicContact CB-CG2 4.17Å; M693-V698 HydrophobicContact CE-CB 4.32Å; M693-V698 HydrophobicContact CE-CG1 3.97Å; M693-V698 HydrophobicContact CE-CG2 4.15Å; M693-V698 HydrophobicContact SD-CG2 4.38Å; A696-V698 PolarHBondContact O-N 3.22Å; V698-M700 VanDerWaalsContact C-N 3.32Å; V698-M700 PolarHBondContact O-N 3Å; V698-A701 PolarHBondContact O-N 3.16Å; V698-E702 WeakPolarHBondContact O-CG 3.47Å; V698-E702 PolarHBondContact O-N 3.1Å; V698-E702 VanDerWaalsContact O-N 3.08Å
699	E	97.6	Very high	96.8	Very high	7 Å²	7	22.2 Å²	22.2	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-32.7	-179.9	-65.6	173	90.6	0	0	111.4	A457 R458 T484 A696 E702 E703 F812	A457-E699 WeakPolarHBondContact CB-OE2 3.3Å; R458-E699 PolarHBondContact N-OE2 3.32Å; T484-E699 WeakPolarHBondContact CB-OE1 3.25Å; T484-E699 VanDerWaalsContact CG2-OE1 3.31Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.16Å; T484-E699 VanDerWaalsContact CG2-OE2 3.24Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.29Å; T484-E699 PolarHBondContact OG1-OE1 3.03Å; T484-E699 PolarHBondContact OG1-OE2 3.32Å; A696-E699 PolarHBondContact O-N 3.44Å; E699-E702 PolarHBondContact O-N 2.92Å; E699-E703 WeakPolarHBondContact O-CG 3.44Å; E699-E703 PolarHBondContact O-N 2.86Å; E699-E703 VanDerWaalsContact O-N 3.08Å; E699-F812 HydrophobicContact CB-CE1 4.01Å; E699-F812 HydrophobicContact CB-CZ 4.14Å
700	M	98.2	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-42.1	174.8	-71.3	168.4	50.3	0	0	112	N679 M683 T689 A696 N697 V698 E702 E703 A704 L709 F812	N679-M700 HydrophobicContact CB-CE 3.93Å; N679-M700 HydrophobicContact CB-SD 3.56Å; N679-M700 VanDerWaalsContact CB-SD 3.56Å; N679-M700 VanDerWaalsContact CG-SD 3.55Å; M683-M700 HydrophobicContact CB-CE 3.94Å; M683-M700 HydrophobicContact CG-CE 4.33Å; M683-M700 HydrophobicContact SD-CB 4.06Å; M683-M700 HydrophobicContact SD-CE 3.89Å; M683-M700 HydrophobicContact SD-CG 3.77Å; M683-M700 HydrophobicContact SD-SD 4.45Å; T689-M700 HydrophobicContact CG2-CE 4.42Å; A696-M700 VanDerWaalsContact O-CG 3.27Å; A696-M700 WeakPolarHBondContact O-CG 3.43Å; A696-M700 PolarHBondContact O-N 3.39Å; N697-M700 PolarHBondContact O-N 3.31Å; V698-M700 VanDerWaalsContact C-N 3.32Å; V698-M700 PolarHBondContact O-N 3Å; M700-E702 VanDerWaalsContact C-N 3.32Å; M700-E703 PolarHBondContact O-N 2.72Å; M700-A704 WeakPolarHBondContact O-CB 3.5Å; M700-A704 PolarHBondContact O-N 3.02Å; M700-L709 HydrophobicContact CB-CD2 4.23Å; M700-F812 HydrophobicContact CB-CE2 4.31Å; M700-F812 HydrophobicContact CB-CZ 4.14Å; M700-F812 HydrophobicContact CG-CD2 4.32Å; M700-F812 HydrophobicContact CG-CE1 4.05Å; M700-F812 HydrophobicContact CG-CE2 3.66Å; M700-F812 HydrophobicContact CG-CZ 3.51Å
701	A	96.8	Very high	96.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-38.4	175.4	0	0	0	0	0	111.6	N697 V698 G705 E706 L709	N697-A701 WeakPolarHBondContact O-CB 3.45Å; N697-A701 PolarHBondContact O-N 2.62Å; V698-A701 PolarHBondContact O-N 3.16Å; A701-G705 CarbonylContact O-C 3.5Å; A701-G705 VanDerWaalsContact O-CA 3.24Å; A701-G705 WeakPolarHBondContact O-CA 3.37Å; A701-G705 PolarHBondContact O-N 3.39Å; A701-E706 HydrophobicContact CB-CG 4.22Å; A701-E706 PolarHBondContact O-N 3Å; A701-L709 HydrophobicContact CB-CD2 4.01Å
702	E	97	Very high	96.8	Very high	90 Å²	90	26 Å²	26	42%	0.421	13%	0.13	S	C	.	.	H	α-helix	trans	-64	-42.1	174.9	-72.9	176.4	158.3	0	0	113	R458 V698 E699 M700	R458-E702 IonicContact CZ-OE1 3.31Å; R458-E702 IonicContact CZ-OE2 2.78Å; R458-E702 VanDerWaalsContact CZ-OE2 3.29Å; R458-E702 IonicContact NH1-OE1 3.07Å; R458-E702 PolarHBondContact NH1-OE1 3.4Å; R458-E702 IonicContact NH1-OE2 3.27Å; R458-E702 PolarHBondContact NH1-OE2 3.01Å; R458-E702 IonicContact NH2-OE1 3.4Å; R458-E702 PolarHBondContact NH2-OE1 3.27Å; R458-E702 IonicContact NH2-OE2 3.09Å; R458-E702 PolarHBondContact NH2-OE2 3.46Å; V698-E702 WeakPolarHBondContact O-CG 3.47Å; V698-E702 PolarHBondContact O-N 3.1Å; V698-E702 VanDerWaalsContact O-N 3.08Å; E699-E702 PolarHBondContact O-N 2.92Å; M700-E702 VanDerWaalsContact C-N 3.32Å
703	E	97.9	Very high	96.8	Very high	57 Å²	57	27 Å²	27	27%	0.266	14%	0.141	S	C	.	.	H	α-helix	trans	-77.8	-35.6	-177.8	-64	-60	140	0	0	113.4	K520 E699 M700 G808 K811 F812	K520-E703 IonicContact NZ-OE2 3.72Å; E699-E703 WeakPolarHBondContact O-CG 3.44Å; E699-E703 PolarHBondContact O-N 2.86Å; E699-E703 VanDerWaalsContact O-N 3.08Å; M700-E703 PolarHBondContact O-N 2.72Å; E703-G808 VanDerWaalsContact CB-O 3.27Å; E703-G808 WeakPolarHBondContact CB-O 3.43Å; E703-K811 VanDerWaalsContact CD-CD 3.43Å; E703-K811 HydrophobicContact CG-CB 4.16Å; E703-K811 HydrophobicContact CG-CD 3.61Å; E703-K811 WeakPolarHBondContact OE1-CD 3.39Å; E703-K811 IonicContact OE1-NZ 3.26Å; E703-K811 PolarHBondContact OE1-NZ 2.61Å; E703-F812 HydrophobicContact CB-CE2 4.41Å; E703-F812 HydrophobicContact CG-CE2 4.22Å; E703-F812 HydrophobicContact CG-CZ 4.14Å
704	A	95.8	Very high	96.9	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	14%	0.142	C	C	.	.	H	α-helix	trans	-89.3	-14.9	-179.5	0	0	0	0	0	113.9	M683 M700 N708 L709	M683-A704 HydrophobicContact CE-CB 3.75Å; M700-A704 WeakPolarHBondContact O-CB 3.5Å; M700-A704 PolarHBondContact O-N 3.02Å; A704-N708 PolarHBondContact O-ND2 2.87Å; A704-L709 HydrophobicContact CB-CD1 3.68Å
705	G	96.7	Very high	97	Very high	18 Å²	18	32.1 Å²	32.1	19%	0.186	16%	0.16	C	C	.	.			trans	85.9	130.6	-165.3	0	0	0	0	0	111.3	A701 E707 N708	A701-G705 CarbonylContact O-C 3.5Å; A701-G705 VanDerWaalsContact O-CA 3.24Å; A701-G705 WeakPolarHBondContact O-CA 3.37Å; A701-G705 PolarHBondContact O-N 3.39Å; G705-E707 PolarHBondContact O-N 3.09Å; G705-E707 VanDerWaalsContact O-N 3.16Å; G705-N708 PolarHBondContact O-N 3.18Å
706	E	95.1	Very high	97	Very high	106 Å²	106	33.1 Å²	33.1	50%	0.495	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-57.7	-31.8	-177.1	-69.9	-165.6	179.2	0	0	112.2	A701 N708 L709	A701-E706 HydrophobicContact CB-CG 4.22Å; A701-E706 PolarHBondContact O-N 3Å; E706-N708 PolarHBondContact O-N 2.97Å; E706-N708 VanDerWaalsContact O-N 3.17Å; E706-L709 PolarHBondContact O-N 3Å; E706-L709 VanDerWaalsContact O-O 3.12Å
707	E	95.8	Very high	96.9	Very high	129 Å²	129	39.1 Å²	39.1	60%	0.603	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-64.7	-18.9	178.1	74.4	-75.1	178	0	0	113.2	G705 K801	G705-E707 PolarHBondContact O-N 3.09Å; G705-E707 VanDerWaalsContact O-N 3.16Å; E707-K801 PolarHBondContact O-NZ 3.13Å
708	N	97.6	Very high	96.9	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.027	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-96.1	1.7	-178.9	-59.6	-48.3	0	0	0	113.2	A704 G705 E706 K801 H804 N805	A704-N708 PolarHBondContact O-ND2 2.87Å; G705-N708 PolarHBondContact O-N 3.18Å; E706-N708 PolarHBondContact O-N 2.97Å; E706-N708 VanDerWaalsContact O-N 3.17Å; N708-K801 WeakPolarHBondContact OD1-CG 3.2Å; N708-K801 PolarHBondContact OD1-NZ 3.23Å; N708-H804 HydrophobicContact CB-CB 4.34Å; N708-N805 PolarHBondContact O-ND2 3.41Å
709	L	97.5	Very high	96.9	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	-119.3	159.4	171	-81.1	75.8	0	0	0	110.9	M700 A701 A704 E706 I711 N805	M700-L709 HydrophobicContact CB-CD2 4.23Å; A701-L709 HydrophobicContact CB-CD2 4.01Å; A704-L709 HydrophobicContact CB-CD1 3.68Å; E706-L709 PolarHBondContact O-N 3Å; E706-L709 VanDerWaalsContact O-O 3.12Å; L709-I711 HydrophobicContact CB-CD1 4.1Å; L709-I711 HydrophobicContact CB-CG1 4.18Å; L709-I711 HydrophobicContact CD2-CD1 4.24Å; L709-N805 WeakPolarHBondContact CD1-OD1 3.15Å
710	F	98.6	Very high	96.6	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	78.4	176.3	-67.5	-75.2	0	0	0	110.2	L663 L688 T689 I690 G691 K787 V788 L791 W798	L663-F710 HydrophobicContact CD1-CD2 4.43Å; L688-F710 HydrophobicContact CB-CD2 4.42Å; L688-F710 HydrophobicContact CB-CE2 4.2Å; L688-F710 HydrophobicContact CD1-CE2 3.81Å; T689-F710 WeakPolarHBondContact O-CB 3.44Å; T689-F710 PolarHBondContact O-N 3.47Å; I690-F710 WeakPolarHBondContact CA-O 3.4Å; I690-F710 HydrophobicContact CB-CB 3.92Å; I690-F710 HydrophobicContact CG1-CB 4.06Å; G691-F710 PolarHBondContact N-O 3.23Å; F710-K787 HydrophobicContact CD1-CB 4.34Å; F710-K787 HydrophobicContact CE1-CB 4.12Å; F710-V788 HydrophobicContact CB-CG2 4.18Å; F710-V788 HydrophobicContact CD1-CG2 3.72Å; F710-V788 HydrophobicContact CD2-CG2 3.69Å; F710-V788 HydrophobicContact CE1-CG2 3.9Å; F710-V788 HydrophobicContact CE2-CG2 3.86Å; F710-V788 HydrophobicContact CG-CG2 3.59Å; F710-V788 HydrophobicContact CZ-CB 4.37Å; F710-V788 HydrophobicContact CZ-CG2 3.95Å; F710-L791 HydrophobicContact CE2-CD2 4.27Å; F710-L791 HydrophobicContact CZ-CB 4.23Å; F710-L791 HydrophobicContact CZ-CD2 3.64Å; F710-W798 HydrophobicContact CE2-CZ3 4.34Å
711	I	98.3	Very high	96.5	Very high	43 Å²	43	49 Å²	49	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.4	-179.6	-56.5	-57.5	0	0	0	111.2	G691 M693 L709	G691-I711 WeakPolarHBondContact O-CA 3.22Å; M693-I711 HydrophobicContact CG-CG2 3.54Å; M693-I711 HydrophobicContact SD-CD1 4.06Å; M693-I711 HydrophobicContact SD-CG1 4.18Å; M693-I711 HydrophobicContact SD-CG2 3.85Å; L709-I711 HydrophobicContact CB-CD1 4.1Å; L709-I711 HydrophobicContact CB-CG1 4.18Å; L709-I711 HydrophobicContact CD2-CD1 4.24Å
712	F	98.6	Very high	96.5	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.057	26%	0.26	C	S	.	.			trans	-149.2	171.6	176.1	76.7	-82.6	0	0	0	112.5	L579 I667 I690 G691 T692 D777 D780 Y781 C784	L579-F712 HydrophobicContact CD2-CE2 4.2Å; L579-F712 HydrophobicContact CD2-CZ 4.31Å; I667-F712 HydrophobicContact CB-CE1 4.45Å; I667-F712 HydrophobicContact CB-CZ 3.99Å; I667-F712 HydrophobicContact CG2-CE1 3.67Å; I667-F712 HydrophobicContact CG2-CZ 3.62Å; I690-F712 HydrophobicContact CD1-CD1 4.38Å; I690-F712 HydrophobicContact CD1-CE1 4.42Å; I690-F712 HydrophobicContact CG1-CD1 3.84Å; I690-F712 HydrophobicContact CG1-CE1 3.82Å; G691-F712 WeakPolarHBondContact O-CD1 3.34Å; G691-F712 PolarHBondContact O-N 3.29Å; G691-F712 VanDerWaalsContact O-N 3.14Å; T692-F712 HydrophobicContact CG2-CE2 4.34Å; T692-F712 HydrophobicContact CG2-CZ 4.23Å; F712-D777 HydrophobicContact CE2-CB 4.29Å; F712-D780 HydrophobicContact CB-CB 4.45Å; F712-D780 HydrophobicContact CD2-CB 4.48Å; F712-Y781 HydrophobicContact CD1-CD2 4.12Å; F712-Y781 HydrophobicContact CD2-CD2 4.18Å; F712-Y781 HydrophobicContact CD2-CG 4.41Å; F712-Y781 AromaticContact CE1-CD2 3.53Å; F712-Y781 HydrophobicContact CE1-CD2 3.53Å; F712-Y781 HydrophobicContact CE1-CE2 4.07Å; F712-Y781 VanDerWaalsContact CE2-CB 3.46Å; F712-Y781 AromaticContact CE2-CD2 3.63Å; F712-Y781 HydrophobicContact CE2-CD2 3.63Å; F712-Y781 AromaticContact CE2-CG 3.85Å; F712-Y781 HydrophobicContact CE2-CG 3.85Å; F712-Y781 HydrophobicContact CG-CD2 4.41Å; F712-Y781 AromaticContact CZ-CD2 3.26Å; F712-Y781 HydrophobicContact CZ-CD2 3.26Å; F712-Y781 AromaticContact CZ-CE2 3.97Å; F712-Y781 HydrophobicContact CZ-CE2 3.97Å; F712-Y781 AromaticContact CZ-CG 3.91Å; F712-Y781 HydrophobicContact CZ-CG 3.91Å; F712-C784 HydrophobicContact CB-CB 3.81Å; F712-C784 HydrophobicContact CD1-CB 4.43Å; F712-C784 HydrophobicContact CG-CB 4.27Å
713	G	97.6	Very high	96.3	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	26%	0.264	C	S	.	.	S	Bend	trans	80	-177.1	168.9	0	0	0	0	0	114.3	D777	G713-D777 VanDerWaalsContact CA-OD1 3.25Å; G713-D777 WeakPolarHBondContact CA-OD1 3.44Å
714	M	98	Very high	96.2	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.084	29%	0.287	C	S	.	.			trans	-61.3	144.6	179.2	-71.8	-177.7	-64.6	0	0	112.7	A670 D718 V719 M722 K773 A776 D777	A670-M714 WeakPolarHBondContact CB-O 3.42Å; M714-D718 HydrophobicContact CB-CB 3.86Å; M714-D718 HydrophobicContact CG-CB 3.93Å; M714-D718 HydrophobicContact SD-CB 4.49Å; M714-V719 HydrophobicContact CB-CG2 3.99Å; M714-V719 HydrophobicContact CE-CG2 4.14Å; M714-V719 HydrophobicContact SD-CG2 4.3Å; M714-M722 HydrophobicContact SD-CE 3.42Å; M714-M722 WeakPolarHBondContact SD-CE 3.14Å; M714-M722 HydrophobicContact SD-SD 4.02Å; M714-K773 HydrophobicContact CE-CB 3.87Å; M714-K773 HydrophobicContact CE-CD 3.97Å; M714-A776 HydrophobicContact CE-CB 3.52Å; M714-A776 HydrophobicContact SD-CB 4.05Å; M714-D777 WeakPolarHBondContact CG-OD1 3.38Å; M714-D777 PolarHBondContact N-OD1 2.97Å
715	R	96.8	Very high	96.2	Very high	105 Å²	105	64.7 Å²	64.7	40%	0.396	32%	0.322	S	S	.	.			trans	-88.2	173.6	163	-62	-179.3	175	-99	0.1	110.3	M693 E717 D718 V719	M693-R715 HydrophobicContact CB-CG 4.47Å; R715-E717 VanDerWaalsContact CB-OE2 3.32Å; R715-E717 WeakPolarHBondContact CB-OE2 3.47Å; R715-E717 PolarHBondContact O-N 3.47Å; R715-D718 PolarHBondContact N-OD2 2.8Å; R715-D718 PolarHBondContact O-N 3.29Å; R715-D718 VanDerWaalsContact O-N 3.13Å; R715-V719 WeakPolarHBondContact O-CG2 3.22Å; R715-V719 PolarHBondContact O-N 3.33Å; R715-V719 VanDerWaalsContact O-N 3.11Å
716	V	93.2	Very high	96.1	Very high	21 Å²	21	66 Å²	66	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-41.7	-178.6	176.9	0	0	0	0	110.9	I459 A670 D718 V719 E720	I459-V716 HydrophobicContact CD1-CG2 3.86Å; A670-V716 HydrophobicContact CB-CG2 4.11Å; V716-D718 VanDerWaalsContact C-N 3.32Å; V716-D718 PolarHBondContact O-N 2.9Å; V716-V719 PolarHBondContact O-N 3.25Å; V716-E720 WeakPolarHBondContact O-CG 3.34Å; V716-E720 PolarHBondContact O-N 3.03Å
717	E	94.6	Very high	96.1	Very high	126 Å²	126	63.3 Å²	63.3	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-65.1	-36	-179	-57	76.9	-167.8	0	0	112	R715 A721	R715-E717 VanDerWaalsContact CB-OE2 3.32Å; R715-E717 WeakPolarHBondContact CB-OE2 3.47Å; R715-E717 PolarHBondContact O-N 3.47Å; E717-A721 WeakPolarHBondContact O-CB 2.88Å; E717-A721 PolarHBondContact O-N 3.23Å
718	D	97.2	Very high	96.1	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-70.2	-38.7	177.3	-57.2	-50.1	0	0	0	111.2	M714 R715 V716 A721 M722	M714-D718 HydrophobicContact CB-CB 3.86Å; M714-D718 HydrophobicContact CG-CB 3.93Å; M714-D718 HydrophobicContact SD-CB 4.49Å; R715-D718 PolarHBondContact N-OD2 2.8Å; R715-D718 PolarHBondContact O-N 3.29Å; R715-D718 VanDerWaalsContact O-N 3.13Å; V716-D718 VanDerWaalsContact C-N 3.32Å; V716-D718 PolarHBondContact O-N 2.9Å; D718-A721 PolarHBondContact O-N 3.29Å; D718-M722 WeakPolarHBondContact O-CB 3.28Å; D718-M722 PolarHBondContact O-N 2.86Å
719	V	95.7	Very high	96.1	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-47.3	174.8	176.7	0	0	0	0	110.2	T669 A670 M714 R715 V716 A721 M722 D723 K773	T669-V719 HydrophobicContact CG2-CG2 4.16Å; A670-V719 HydrophobicContact CB-CG2 4.4Å; M714-V719 HydrophobicContact CB-CG2 3.99Å; M714-V719 HydrophobicContact CE-CG2 4.14Å; M714-V719 HydrophobicContact SD-CG2 4.3Å; R715-V719 WeakPolarHBondContact O-CG2 3.22Å; R715-V719 PolarHBondContact O-N 3.33Å; R715-V719 VanDerWaalsContact O-N 3.11Å; V716-V719 PolarHBondContact O-N 3.25Å; V719-A721 PolarHBondContact O-N 3.09Å; V719-M722 WeakPolarHBondContact O-CB 3.24Å; V719-M722 PolarHBondContact O-N 3.45Å; V719-D723 PolarHBondContact O-N 3.2Å; V719-K773 HydrophobicContact CG1-CD 4.24Å
720	E	92.8	Very high	96	Very high	88 Å²	88	63.9 Å²	63.9	41%	0.411	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-41.5	177.4	-71.6	-175.8	-176.2	0	0	112.6	V716 M722 D723 K724	V716-E720 WeakPolarHBondContact O-CG 3.34Å; V716-E720 PolarHBondContact O-N 3.03Å; E720-M722 VanDerWaalsContact C-N 3.28Å; E720-M722 PolarHBondContact O-N 2.97Å; E720-D723 PolarHBondContact O-N 2.83Å; E720-K724 WeakPolarHBondContact O-CG 3.37Å; E720-K724 PolarHBondContact O-N 3.48Å
721	A	95.9	Very high	95.9	Very high	57 Å²	57	66.2 Å²	66.2	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-38.6	175.8	0	0	0	0	0	111.3	E717 D718 V719 K724 K725	E717-A721 WeakPolarHBondContact O-CB 2.88Å; E717-A721 PolarHBondContact O-N 3.23Å; D718-A721 PolarHBondContact O-N 3.29Å; V719-A721 PolarHBondContact O-N 3.09Å; A721-K724 PolarHBondContact O-N 3.47Å; A721-K725 WeakPolarHBondContact O-CB 3.49Å; A721-K725 PolarHBondContact O-N 3.14Å; A721-K725 VanDerWaalsContact O-N 3.09Å
722	M	95.8	Very high	95.9	Very high	32 Å²	32	66.8 Å²	66.8	16%	0.158	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-40.3	176.2	-168.9	170.1	-62.4	0	0	112.3	M714 D718 V719 E720 K724 K725 G726 Y727 Y732 K773 A776	M714-M722 HydrophobicContact SD-CE 3.42Å; M714-M722 WeakPolarHBondContact SD-CE 3.14Å; M714-M722 HydrophobicContact SD-SD 4.02Å; D718-M722 WeakPolarHBondContact O-CB 3.28Å; D718-M722 PolarHBondContact O-N 2.86Å; V719-M722 WeakPolarHBondContact O-CB 3.24Å; V719-M722 PolarHBondContact O-N 3.45Å; E720-M722 VanDerWaalsContact C-N 3.28Å; E720-M722 PolarHBondContact O-N 2.97Å; M722-K724 VanDerWaalsContact C-N 3.31Å; M722-K724 PolarHBondContact O-N 3.44Å; M722-K725 PolarHBondContact O-N 3.3Å; M722-G726 CarbonylContact O-C 3.51Å; M722-G726 PolarHBondContact O-N 3.45Å; M722-Y727 HydrophobicContact CG-CD2 4.42Å; M722-Y727 HydrophobicContact SD-CD2 3.6Å; M722-Y727 HydrophobicContact SD-CE2 4.33Å; M722-Y727 HydrophobicContact SD-CG 4.39Å; M722-Y732 VanDerWaalsContact CE-OH 3.28Å; M722-Y732 WeakPolarHBondContact CE-OH 3.27Å; M722-K773 HydrophobicContact CG-CD 4.35Å; M722-K773 HydrophobicContact SD-CD 3.78Å; M722-K773 HydrophobicContact SD-CG 4.45Å; M722-A776 HydrophobicContact CE-CB 4Å; M722-A776 HydrophobicContact SD-CB 3.97Å
723	D	93.3	Very high	95.9	Very high	95 Å²	95	67.9 Å²	67.9	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-39.7	175	-77.9	-36.1	0	0	0	111.8	V719 E720 G726 K773	V719-D723 PolarHBondContact O-N 3.2Å; E720-D723 PolarHBondContact O-N 2.83Å; D723-G726 PolarHBondContact O-N 2.96Å; D723-K773 WeakPolarHBondContact OD1-CE 3.45Å; D723-K773 IonicContact OD1-NZ 2.72Å; D723-K773 PolarHBondContact OD1-NZ 3.38Å; D723-K773 IonicContact OD2-NZ 3.01Å; D723-K773 PolarHBondContact OD2-NZ 3.48Å
724	K	95	Very high	95.9	Very high	171 Å²	171	72 Å²	72	74%	0.743	37%	0.367	S	S	*	.	H	α-helix	trans	-66.2	-36.3	174.4	-71.3	169.2	-174.1	163.1	0	112.9	E720 A721 M722	E720-K724 WeakPolarHBondContact O-CG 3.37Å; E720-K724 PolarHBondContact O-N 3.48Å; A721-K724 PolarHBondContact O-N 3.47Å; M722-K724 VanDerWaalsContact C-N 3.31Å; M722-K724 PolarHBondContact O-N 3.44Å
725	K	95.4	Very high	95.9	Very high	186 Å²	186	78.9 Å²	78.9	81%	0.809	39%	0.393	S	S	*	.	H	α-helix	trans	-75.4	-28.8	179	-174.5	178.5	175.9	-175.1	0	112.5	A721 M722	A721-K725 WeakPolarHBondContact O-CB 3.49Å; A721-K725 PolarHBondContact O-N 3.14Å; A721-K725 VanDerWaalsContact O-N 3.09Å; M722-K725 PolarHBondContact O-N 3.3Å
726	G	94.7	Very high	96	Very high	47 Å²	47	74.5 Å²	74.5	49%	0.485	38%	0.377	S	S	.	.			trans	91.1	115.9	-167	0	0	0	0	0	110.6	M722 D723	M722-G726 CarbonylContact O-C 3.51Å; M722-G726 PolarHBondContact O-N 3.45Å; D723-G726 PolarHBondContact O-N 2.96Å
727	Y	96.6	Very high	96.2	Very high	49 Å²	49	78.6 Å²	78.6	19%	0.192	40%	0.404	C	S	.	.			trans	-74.8	127.1	174.3	171.2	-119.6	0	0	0	110.4	M722 A729 Y732 D770 K773 F775 A776	M722-Y727 HydrophobicContact CG-CD2 4.42Å; M722-Y727 HydrophobicContact SD-CD2 3.6Å; M722-Y727 HydrophobicContact SD-CE2 4.33Å; M722-Y727 HydrophobicContact SD-CG 4.39Å; Y727-A729 HydrophobicContact CE1-CB 4.06Å; Y727-Y732 HydrophobicContact CD2-CE2 4.19Å; Y727-Y732 HydrophobicContact CE2-CD2 4.1Å; Y727-Y732 AromaticContact CE2-CE2 3.81Å; Y727-Y732 HydrophobicContact CE2-CE2 3.81Å; Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.41Å; Y727-D770 PolarHBondContact OH-OD2 2.85Å; Y727-K773 HydrophobicContact CD1-CG 4.16Å; Y727-K773 HydrophobicContact CD2-CB 4.4Å; Y727-K773 HydrophobicContact CD2-CG 4.15Å; Y727-K773 HydrophobicContact CE1-CB 4.48Å; Y727-K773 HydrophobicContact CE1-CG 4.33Å; Y727-K773 HydrophobicContact CE2-CB 4.12Å; Y727-K773 HydrophobicContact CE2-CG 4.33Å; Y727-K773 HydrophobicContact CG-CG 4.05Å; Y727-F775 PolarHBondContact OH-N 3.22Å; Y727-A776 HydrophobicContact CE2-CB 4.19Å
728	D	95.3	Very high	96.4	Very high	85 Å²	85	75.5 Å²	75.5	46%	0.455	39%	0.389	S	S	.	.			trans	-123.8	102.2	175.2	176.6	18.2	0	0	0	110.3	I730 C731 Y732	D728-I730 VanDerWaalsContact C-N 3.26Å; D728-I730 PolarHBondContact O-N 2.96Å; D728-I730 VanDerWaalsContact OD1-CB 3.31Å; D728-I730 WeakPolarHBondContact OD1-CB 3.29Å; D728-I730 PolarHBondContact OD1-N 3.39Å; D728-C731 PolarHBondContact O-N 3.07Å; D728-Y732 WeakPolarHBondContact O-CD2 3.29Å
729	A	96.9	Very high	96.5	Very high	3 Å²	3	71.8 Å²	71.8	3%	0.025	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-29.6	178.6	0	0	0	0	0	112.7	Y727 C731 Y732 Y733 L766 F775	Y727-A729 HydrophobicContact CE1-CB 4.06Å; A729-C731 VanDerWaalsContact C-N 3.26Å; A729-C731 PolarHBondContact O-N 3.29Å; A729-Y732 PolarHBondContact O-N 2.73Å; A729-Y733 PolarHBondContact O-N 2.83Å; A729-Y733 VanDerWaalsContact O-N 3.07Å; A729-L766 VanDerWaalsContact CB-O 3.32Å; A729-L766 WeakPolarHBondContact CB-O 3.25Å; A729-F775 HydrophobicContact CB-CD2 3.75Å; A729-F775 HydrophobicContact CB-CE2 4.06Å
730	I	96.5	Very high	96.6	Very high	67 Å²	67	74.5 Å²	74.5	34%	0.344	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-34.6	-177.7	-62.8	172.4	0	0	0	110.5	D728 Y732 Y733 N734 M767	D728-I730 VanDerWaalsContact C-N 3.26Å; D728-I730 PolarHBondContact O-N 2.96Å; D728-I730 VanDerWaalsContact OD1-CB 3.31Å; D728-I730 WeakPolarHBondContact OD1-CB 3.29Å; D728-I730 PolarHBondContact OD1-N 3.39Å; I730-Y732 PolarHBondContact O-N 2.98Å; I730-Y733 PolarHBondContact O-N 3.45Å; I730-N734 VanDerWaalsContact CG2-ND2 3.29Å; I730-N734 WeakPolarHBondContact CG2-ND2 3.48Å; I730-N734 WeakPolarHBondContact O-CB 3.28Å; I730-N734 PolarHBondContact O-N 3.12Å; I730-N734 PolarHBondContact O-ND2 3.45Å; I730-M767 HydrophobicContact CG1-CE 4Å
731	C	96.6	Very high	96.9	Very high	72 Å²	72	74.6 Å²	74.6	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-58.8	-47.4	175.8	-174.6	0	0	0	0	112	D728 A729 R735	D728-C731 PolarHBondContact O-N 3.07Å; A729-C731 VanDerWaalsContact C-N 3.26Å; A729-C731 PolarHBondContact O-N 3.29Å; C731-R735 VanDerWaalsContact O-CB 3.25Å; C731-R735 WeakPolarHBondContact O-CB 3.4Å; C731-R735 PolarHBondContact O-N 2.96Å
732	Y	98.1	Very high	97	Very high	54 Å²	54	71.9 Å²	71.9	21%	0.212	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-45.1	178.4	-65.8	-85.7	0	0	0	111.6	M722 Y727 D728 A729 I730 N734 R735 I736 F775 A776	M722-Y732 VanDerWaalsContact CE-OH 3.28Å; M722-Y732 WeakPolarHBondContact CE-OH 3.27Å; Y727-Y732 HydrophobicContact CD2-CE2 4.19Å; Y727-Y732 HydrophobicContact CE2-CD2 4.1Å; Y727-Y732 AromaticContact CE2-CE2 3.81Å; Y727-Y732 HydrophobicContact CE2-CE2 3.81Å; D728-Y732 WeakPolarHBondContact O-CD2 3.29Å; A729-Y732 PolarHBondContact O-N 2.73Å; I730-Y732 PolarHBondContact O-N 2.98Å; Y732-N734 VanDerWaalsContact C-N 3.35Å; Y732-N734 PolarHBondContact O-N 3.25Å; Y732-R735 PolarHBondContact O-N 3.18Å; Y732-I736 HydrophobicContact CD1-CD1 4.31Å; Y732-I736 WeakPolarHBondContact O-CB 3.27Å; Y732-I736 WeakPolarHBondContact O-CG1 3.32Å; Y732-I736 PolarHBondContact O-N 3.29Å; Y732-F775 HydrophobicContact CD2-CB 4.4Å; Y732-F775 HydrophobicContact CG-CB 4.12Å; Y732-A776 HydrophobicContact CE1-CB 4.36Å; Y732-A776 HydrophobicContact CE2-CB 4.32Å
733	Y	97.9	Very high	97.1	Very high	36 Å²	36	70.5 Å²	70.5	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-57	-45.4	177	171.3	-89.9	0	0	0	112	A729 I730 K740 M743 D744 M767	A729-Y733 PolarHBondContact O-N 2.83Å; A729-Y733 VanDerWaalsContact O-N 3.07Å; I730-Y733 PolarHBondContact O-N 3.45Å; Y733-K740 HydrophobicContact CD2-CB 4.43Å; Y733-K740 HydrophobicContact CD2-CG 4.49Å; Y733-K740 HydrophobicContact CE1-CD 4.01Å; Y733-K740 HydrophobicContact CE1-CG 4.22Å; Y733-K740 HydrophobicContact CE2-CB 4.29Å; Y733-K740 HydrophobicContact CE2-CG 3.93Å; Y733-K740 WeakPolarHBondContact O-CB 3.37Å; Y733-K740 PolarHBondContact OH-NZ 3.24Å; Y733-M743 HydrophobicContact CD2-CB 3.94Å; Y733-M743 HydrophobicContact CD2-CG 4.22Å; Y733-M743 HydrophobicContact CE2-CB 3.74Å; Y733-D744 PolarHBondContact OH-OD1 2.86Å; Y733-M767 HydrophobicContact CD1-CE 4.07Å; Y733-M767 HydrophobicContact CD2-CE 4.19Å; Y733-M767 HydrophobicContact CD2-SD 4.05Å; Y733-M767 HydrophobicContact CE1-CE 4.5Å; Y733-M767 HydrophobicContact CG-CE 3.89Å; Y733-M767 HydrophobicContact CG-SD 4.17Å
734	N	97.5	Very high	97.3	Very high	108 Å²	108	68.8 Å²	68.8	58%	0.578	34%	0.342	S	S	*	.	H	α-helix	trans	-73.5	-30.5	179.8	-73.8	-31.9	0	0	0	113.4	I730 Y732	I730-N734 VanDerWaalsContact CG2-ND2 3.29Å; I730-N734 WeakPolarHBondContact CG2-ND2 3.48Å; I730-N734 WeakPolarHBondContact O-CB 3.28Å; I730-N734 PolarHBondContact O-N 3.12Å; I730-N734 PolarHBondContact O-ND2 3.45Å; Y732-N734 VanDerWaalsContact C-N 3.35Å; Y732-N734 PolarHBondContact O-N 3.25Å
735	R	97.9	Very high	97.5	Very high	163 Å²	163	62 Å²	62	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-79.8	-34.6	-177.2	176.8	-177.8	146.5	-172.9	-11.7	113	C731 Y732 P737 E779	C731-R735 VanDerWaalsContact O-CB 3.25Å; C731-R735 WeakPolarHBondContact O-CB 3.4Å; C731-R735 PolarHBondContact O-N 2.96Å; Y732-R735 PolarHBondContact O-N 3.18Å; R735-P737 WeakPolarHBondContact O-CD 3.42Å; R735-E779 IonicContact CZ-OE2 3.71Å; R735-E779 IonicContact NH2-OE2 3.32Å; R735-E779 PolarHBondContact NH2-OE2 3.37Å
736	I	98.5	Very high	97.6	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.067	28%	0.276	C	S	.	.			trans	-107.5	103.7	-167.6	-55.6	171.3	0	0	0	109.9	Y732 E738 L739 K740 Y778 E779	Y732-I736 HydrophobicContact CD1-CD1 4.31Å; Y732-I736 WeakPolarHBondContact O-CB 3.27Å; Y732-I736 WeakPolarHBondContact O-CG1 3.32Å; Y732-I736 PolarHBondContact O-N 3.29Å; I736-E738 PolarHBondContact O-N 3.45Å; I736-L739 HydrophobicContact CB-CB 3.85Å; I736-L739 HydrophobicContact CB-CD2 4.48Å; I736-L739 HydrophobicContact CD1-CD2 4.3Å; I736-L739 HydrophobicContact CG2-CB 3.7Å; I736-L739 PolarHBondContact O-N 3.27Å; I736-K740 PolarHBondContact O-N 2.83Å; I736-Y778 HydrophobicContact CD1-CD1 4.37Å; I736-Y778 HydrophobicContact CG2-CD1 4.14Å; I736-Y778 HydrophobicContact CG2-CE1 3.8Å; I736-E779 HydrophobicContact CD1-CB 4.31Å
737	P	98.4	Very high	97.7	Very high	106 Å²	106	53.8 Å²	53.8	69%	0.688	27%	0.271	S	S	*	.	H	α-helix	trans	-61.4	-38.2	-173.7	-25.9	36	0	0	0	114.5	R735 K740 Q741	R735-P737 WeakPolarHBondContact O-CD 3.42Å; P737-K740 PolarHBondContact O-N 3.09Å; P737-Q741 WeakPolarHBondContact O-CB 3.48Å; P737-Q741 PolarHBondContact O-N 3.37Å
738	E	98.3	Very high	97.6	Very high	62 Å²	62	55.3 Å²	55.3	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-68.9	-38	179.3	-64.7	-170.2	121.4	0	0	112.2	T586 R590 I736 Q741 A742	T586-E738 HydrophobicContact CG2-CB 4.38Å; R590-E738 IonicContact CZ-OE1 3.89Å; R590-E738 IonicContact CZ-OE2 3.65Å; R590-E738 IonicContact NE-OE1 2.83Å; R590-E738 PolarHBondContact NE-OE1 3.23Å; R590-E738 IonicContact NE-OE2 2.8Å; R590-E738 IonicContact NH2-OE1 3.75Å; R590-E738 PolarHBondContact NH2-OE1 2.97Å; R590-E738 IonicContact NH2-OE2 3.82Å; R590-E738 PolarHBondContact NH2-OE2 2.93Å; I736-E738 PolarHBondContact O-N 3.45Å; E738-Q741 PolarHBondContact O-N 3.33Å; E738-A742 PolarHBondContact O-N 2.89Å
739	L	98.4	Very high	97.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-46.9	173.6	176.9	60.8	0	0	0	110.5	L582 I736 Q741 A742 M743 F775 Y778	L582-L739 HydrophobicContact CD1-CD1 3.94Å; L582-L739 HydrophobicContact CD2-CD1 4.48Å; I736-L739 HydrophobicContact CB-CB 3.85Å; I736-L739 HydrophobicContact CB-CD2 4.48Å; I736-L739 HydrophobicContact CD1-CD2 4.3Å; I736-L739 HydrophobicContact CG2-CB 3.7Å; I736-L739 PolarHBondContact O-N 3.27Å; L739-Q741 VanDerWaalsContact C-N 3.32Å; L739-Q741 PolarHBondContact O-N 3.12Å; L739-A742 PolarHBondContact O-N 3.04Å; L739-M743 HydrophobicContact CD1-CG 4.18Å; L739-M743 WeakPolarHBondContact O-CG 3.34Å; L739-M743 PolarHBondContact O-N 3.39Å; L739-F775 HydrophobicContact CD1-CD1 3.81Å; L739-F775 HydrophobicContact CD1-CE1 3.88Å; L739-F775 HydrophobicContact CD1-CG 4.43Å; L739-F775 HydrophobicContact CD2-CB 3.95Å; L739-F775 HydrophobicContact CD2-CD1 4.03Å; L739-F775 HydrophobicContact CD2-CD2 4.16Å; L739-F775 HydrophobicContact CD2-CG 3.8Å; L739-F775 HydrophobicContact CG-CD1 4.46Å; L739-Y778 HydrophobicContact CB-CD1 3.98Å; L739-Y778 HydrophobicContact CB-CE1 3.75Å; L739-Y778 HydrophobicContact CD1-CD1 4.35Å; L739-Y778 HydrophobicContact CD1-CD2 4.05Å; L739-Y778 HydrophobicContact CD1-CE2 4.25Å; L739-Y778 HydrophobicContact CD1-CG 4.1Å; L739-Y778 HydrophobicContact CD2-CD1 4.43Å; L739-Y778 HydrophobicContact CG-CD1 4.48Å
740	K	98.4	Very high	97.7	Very high	70 Å²	70	55.2 Å²	55.2	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-55.7	-48.2	175.8	178.8	157.9	171.1	44.1	0	111.4	Y733 I736 P737 A742 M743 D744	Y733-K740 HydrophobicContact CD2-CB 4.43Å; Y733-K740 HydrophobicContact CD2-CG 4.49Å; Y733-K740 HydrophobicContact CE1-CD 4.01Å; Y733-K740 HydrophobicContact CE1-CG 4.22Å; Y733-K740 HydrophobicContact CE2-CB 4.29Å; Y733-K740 HydrophobicContact CE2-CG 3.93Å; Y733-K740 WeakPolarHBondContact O-CB 3.37Å; Y733-K740 PolarHBondContact OH-NZ 3.24Å; I736-K740 PolarHBondContact O-N 2.83Å; P737-K740 PolarHBondContact O-N 3.09Å; K740-A742 PolarHBondContact O-N 3.5Å; K740-M743 PolarHBondContact O-N 2.95Å; K740-D744 WeakPolarHBondContact CG-OD2 3.31Å; K740-D744 IonicContact NZ-OD1 3.63Å; K740-D744 IonicContact NZ-OD2 2.61Å; K740-D744 PolarHBondContact NZ-OD2 3.43Å; K740-D744 VanDerWaalsContact O-CB 3.3Å; K740-D744 WeakPolarHBondContact O-CB 3.45Å; K740-D744 PolarHBondContact O-N 3.11Å
741	Q	98.5	Very high	97.7	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-46.4	177.9	-175.8	-177.7	16.1	0	0	111.9	P737 E738 L739 D744 Q745	P737-Q741 WeakPolarHBondContact O-CB 3.48Å; P737-Q741 PolarHBondContact O-N 3.37Å; E738-Q741 PolarHBondContact O-N 3.33Å; L739-Q741 VanDerWaalsContact C-N 3.32Å; L739-Q741 PolarHBondContact O-N 3.12Å; Q741-D744 PolarHBondContact O-N 2.59Å; Q741-Q745 WeakPolarHBondContact O-CB 3.39Å; Q741-Q745 VanDerWaalsContact O-CG 3.3Å; Q741-Q745 WeakPolarHBondContact O-CG 3.29Å; Q741-Q745 PolarHBondContact O-N 3.28Å
742	A	98.3	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-43.8	179.2	0	0	0	0	0	112	L582 I585 E738 L739 K740 Q745 I746	L582-A742 HydrophobicContact CD2-CB 4.18Å; I585-A742 HydrophobicContact CB-CB 4.2Å; I585-A742 HydrophobicContact CG2-CB 3.61Å; E738-A742 PolarHBondContact O-N 2.89Å; L739-A742 PolarHBondContact O-N 3.04Å; K740-A742 PolarHBondContact O-N 3.5Å; A742-Q745 PolarHBondContact O-N 3.25Å; A742-I746 WeakPolarHBondContact O-CG1 3.47Å; A742-I746 PolarHBondContact O-N 3.46Å; A742-I746 VanDerWaalsContact O-N 3.15Å
743	M	98.3	Very high	97.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-41.7	177.4	-72.8	-57.4	-58.1	0	0	112.5	L582 Y733 L739 K740 Q745 I746 S747 V763 L766 F775	L582-M743 HydrophobicContact CD2-SD 3.97Å; Y733-M743 HydrophobicContact CD2-CB 3.94Å; Y733-M743 HydrophobicContact CD2-CG 4.22Å; Y733-M743 HydrophobicContact CE2-CB 3.74Å; L739-M743 HydrophobicContact CD1-CG 4.18Å; L739-M743 WeakPolarHBondContact O-CG 3.34Å; L739-M743 PolarHBondContact O-N 3.39Å; K740-M743 PolarHBondContact O-N 2.95Å; M743-Q745 VanDerWaalsContact C-N 3.31Å; M743-Q745 PolarHBondContact O-N 3.46Å; M743-I746 PolarHBondContact O-N 2.85Å; M743-I746 HydrophobicContact SD-CD1 4.42Å; M743-S747 WeakPolarHBondContact O-CB 3.37Å; M743-S747 PolarHBondContact O-N 3.49Å; M743-V763 HydrophobicContact CE-CB 4.22Å; M743-V763 HydrophobicContact CE-CG1 3.9Å; M743-V763 HydrophobicContact CE-CG2 4.04Å; M743-L766 HydrophobicContact CE-CB 4.19Å; M743-L766 HydrophobicContact CE-CD1 4.02Å; M743-L766 HydrophobicContact SD-CD1 3.97Å; M743-F775 HydrophobicContact CE-CZ 3.83Å; M743-F775 HydrophobicContact CG-CE1 4.15Å; M743-F775 HydrophobicContact CG-CZ 3.78Å; M743-F775 HydrophobicContact SD-CE1 3.76Å; M743-F775 HydrophobicContact SD-CZ 3.57Å; M743-F775 VanDerWaalsContact SD-CZ 3.57Å
744	D	98.2	Very high	97.3	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-37.5	177.3	-71.3	-10.2	0	0	0	111.2	Y733 K740 Q741 S747 A748	Y733-D744 PolarHBondContact OH-OD1 2.86Å; K740-D744 WeakPolarHBondContact CG-OD2 3.31Å; K740-D744 IonicContact NZ-OD1 3.63Å; K740-D744 IonicContact NZ-OD2 2.61Å; K740-D744 PolarHBondContact NZ-OD2 3.43Å; K740-D744 VanDerWaalsContact O-CB 3.3Å; K740-D744 WeakPolarHBondContact O-CB 3.45Å; K740-D744 PolarHBondContact O-N 3.11Å; Q741-D744 PolarHBondContact O-N 2.59Å; D744-S747 PolarHBondContact O-N 2.85Å; D744-A748 WeakPolarHBondContact O-CB 3.34Å; D744-A748 PolarHBondContact O-N 3.09Å
745	Q	98.3	Very high	97.2	Very high	28 Å²	28	54.4 Å²	54.4	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-42.9	173.9	-76.7	171.3	-35.8	0	0	112.5	I585 N589 Q741 A742 M743 F750 F751	I585-Q745 VanDerWaalsContact CG2-OE1 3.27Å; N589-Q745 PolarHBondContact ND2-OE1 2.89Å; N589-Q745 PolarHBondContact OD1-NE2 3.31Å; N589-Q745 PolarHBondContact OD1-OE1 3.01Å; Q741-Q745 WeakPolarHBondContact O-CB 3.39Å; Q741-Q745 VanDerWaalsContact O-CG 3.3Å; Q741-Q745 WeakPolarHBondContact O-CG 3.29Å; Q741-Q745 PolarHBondContact O-N 3.28Å; A742-Q745 PolarHBondContact O-N 3.25Å; M743-Q745 VanDerWaalsContact C-N 3.31Å; M743-Q745 PolarHBondContact O-N 3.46Å; Q745-F750 HydrophobicContact CB-CB 3.95Å; Q745-F750 HydrophobicContact CB-CD1 4.38Å; Q745-F750 HydrophobicContact CB-CG 4.32Å; Q745-F750 HydrophobicContact CG-CB 4.32Å; Q745-F750 HydrophobicContact CG-CD1 4.46Å; Q745-F750 HydrophobicContact CG-CG 4.31Å; Q745-F750 WeakPolarHBondContact O-CB 3.33Å; Q745-F750 PolarHBondContact O-N 2.95Å; Q745-F751 HydrophobicContact CB-CE2 3.95Å
746	I	97.6	Very high	97.1	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.9	-64	166.4	0	0	0	109.8	L582 I585 L623 A742 M743 G749 F751 F759 V763	L582-I746 HydrophobicContact CD2-CD1 4.18Å; I585-I746 HydrophobicContact CD1-CD1 3.74Å; I585-I746 HydrophobicContact CD1-CG1 3.92Å; L623-I746 HydrophobicContact CD1-CG1 4.49Å; L623-I746 HydrophobicContact CD1-CG2 4.49Å; A742-I746 WeakPolarHBondContact O-CG1 3.47Å; A742-I746 PolarHBondContact O-N 3.46Å; A742-I746 VanDerWaalsContact O-N 3.15Å; M743-I746 PolarHBondContact O-N 2.85Å; M743-I746 HydrophobicContact SD-CD1 4.42Å; I746-G749 PolarHBondContact O-N 3.46Å; I746-F751 HydrophobicContact CG1-CD2 4.1Å; I746-F751 HydrophobicContact CG1-CE2 4.23Å; I746-F759 HydrophobicContact CG2-CB 3.6Å; I746-F759 HydrophobicContact CG2-CD2 4.38Å; I746-F759 HydrophobicContact CG2-CG 4.23Å; I746-V763 HydrophobicContact CB-CG2 4.34Å; I746-V763 HydrophobicContact CG2-CG2 3.7Å
747	S	96.6	Very high	96.9	Very high	57 Å²	57	55 Å²	55	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-69.5	-34.6	-178.1	-170.3	0	0	0	0	113.6	M743 D744 G749	M743-S747 WeakPolarHBondContact O-CB 3.37Å; M743-S747 PolarHBondContact O-N 3.49Å; D744-S747 PolarHBondContact O-N 2.85Å; S747-G749 PolarHBondContact O-N 3.32Å
748	A	96.3	Very high	96.8	Very high	80 Å²	80	51.2 Å²	51.2	66%	0.661	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	4.4	-177.6	0	0	0	0	0	113.4	D744	D744-A748 WeakPolarHBondContact O-CB 3.34Å; D744-A748 PolarHBondContact O-N 3.09Å
749	G	95.5	Very high	96.8	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	19.1	179.5	0	0	0	0	0	114.9	I746 S747 F751 S752 P753	I746-G749 PolarHBondContact O-N 3.46Å; S747-G749 PolarHBondContact O-N 3.32Å; G749-F751 PolarHBondContact O-N 2.76Å; G749-S752 CarbonylContact O-C 3.6Å; G749-S752 PolarHBondContact O-N 3.16Å; G749-P753 VanDerWaalsContact O-N 3.16Å
750	F	97.6	Very high	96.7	Very high	83 Å²	83	53.6 Å²	53.6	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-37.5	178.9	-178.9	-97.7	0	0	0	112.1	Y588 V630 Q745	Y588-F750 AromaticContact CE1-CE1 3.92Å; Y588-F750 HydrophobicContact CE1-CE1 3.92Å; Y588-F750 HydrophobicContact CE1-CZ 4.09Å; V630-F750 HydrophobicContact CG1-CE1 3.89Å; V630-F750 HydrophobicContact CG1-CZ 4.3Å; Q745-F750 HydrophobicContact CB-CB 3.95Å; Q745-F750 HydrophobicContact CB-CD1 4.38Å; Q745-F750 HydrophobicContact CB-CG 4.32Å; Q745-F750 HydrophobicContact CG-CB 4.32Å; Q745-F750 HydrophobicContact CG-CD1 4.46Å; Q745-F750 HydrophobicContact CG-CG 4.31Å; Q745-F750 WeakPolarHBondContact O-CB 3.33Å; Q745-F750 PolarHBondContact O-N 2.95Å
751	F	97.6	Very high	96.6	Very high	6 Å²	6	54 Å²	54	3%	0.026	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.7	176.1	-59.7	-72.5	0	0	0	113.4	I585 A626 I627 V630 Q745 I746 G749 F759	I585-F751 HydrophobicContact CB-CZ 4.42Å; I585-F751 HydrophobicContact CD1-CD2 4.48Å; I585-F751 HydrophobicContact CD1-CE2 3.7Å; I585-F751 HydrophobicContact CD1-CZ 4.01Å; I585-F751 HydrophobicContact CG1-CE2 3.92Å; I585-F751 HydrophobicContact CG1-CZ 3.67Å; I585-F751 HydrophobicContact CG2-CE2 4.21Å; I585-F751 HydrophobicContact CG2-CZ 4.01Å; A626-F751 HydrophobicContact CB-CB 4.13Å; A626-F751 WeakPolarHBondContact CB-O 3.3Å; I627-F751 HydrophobicContact CB-CD1 4.48Å; I627-F751 HydrophobicContact CG1-CD1 4.06Å; I627-F751 HydrophobicContact CG1-CE1 4.17Å; I627-F751 HydrophobicContact CG1-CG 4.31Å; V630-F751 HydrophobicContact CB-CD1 4.1Å; V630-F751 HydrophobicContact CB-CE1 4.27Å; V630-F751 HydrophobicContact CG1-CE1 4.4Å; V630-F751 HydrophobicContact CG2-CD1 3.83Å; V630-F751 HydrophobicContact CG2-CE1 4.44Å; Q745-F751 HydrophobicContact CB-CE2 3.95Å; I746-F751 HydrophobicContact CG1-CD2 4.1Å; I746-F751 HydrophobicContact CG1-CE2 4.23Å; G749-F751 PolarHBondContact O-N 2.76Å; F751-F759 HydrophobicContact CB-CE2 4.28Å
752	S	96.6	Very high	96.6	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	29%	0.292	C	S	.	.			trans	-142.3	62.4	177.7	56.1	0	0	0	0	112.2	G749 G754 E755	G749-S752 CarbonylContact O-C 3.6Å; G749-S752 PolarHBondContact O-N 3.16Å; S752-G754 PolarHBondContact O-N 2.89Å; S752-G754 VanDerWaalsContact O-N 3.08Å; S752-E755 VanDerWaalsContact CB-O 3.28Å; S752-E755 WeakPolarHBondContact CB-O 3.45Å; S752-E755 CarbonylContact O-C 3.58Å; S752-E755 PolarHBondContact O-N 3.37Å; S752-E755 VanDerWaalsContact O-O 3.09Å; S752-E755 PolarHBondContact OG-O 2.69Å
753	P	94.1	Very high	96.5	Very high	107 Å²	107	50.7 Å²	50.7	70%	0.695	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.6	-171.7	-25.2	35	0	0	0	114.8	G749	G749-P753 VanDerWaalsContact O-N 3.16Å
754	G	93.4	Very high	96.5	Very high	77 Å²	77	54.2 Å²	54.2	79%	0.794	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.5	176.1	0	0	0	0	0	114.3	S752	S752-G754 PolarHBondContact O-N 2.89Å; S752-G754 VanDerWaalsContact O-N 3.08Å
755	E	94.8	Very high	96.4	Very high	125 Å²	125	52.4 Å²	52.4	58%	0.584	31%	0.306	S	S	*	.			trans	-141.8	77.6	179.9	-68.5	177.9	-139	0	0	109.1	S752 E757 L758	S752-E755 VanDerWaalsContact CB-O 3.28Å; S752-E755 WeakPolarHBondContact CB-O 3.45Å; S752-E755 CarbonylContact O-C 3.58Å; S752-E755 PolarHBondContact O-N 3.37Å; S752-E755 VanDerWaalsContact O-O 3.09Å; S752-E755 PolarHBondContact OG-O 2.69Å; E755-E757 PolarHBondContact O-N 2.78Å; E755-E757 VanDerWaalsContact O-N 3.12Å; E755-L758 HydrophobicContact CB-CB 4.02Å; E755-L758 WeakPolarHBondContact O-CB 3.4Å; E755-L758 PolarHBondContact O-N 3.24Å
756	P	94.7	Very high	96.4	Very high	62 Å²	62	51.3 Å²	51.3	40%	0.403	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.3	-171.6	-28.5	36.5	0	0	0	114.3	L758	P756-L758 VanDerWaalsContact C-N 3.32Å; P756-L758 PolarHBondContact O-N 3.16Å
757	E	95.3	Very high	96.3	Very high	126 Å²	126	52.4 Å²	52.4	59%	0.589	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	3.3	-179.1	-64.2	-61.5	139.7	0	0	114	E755 F759 K760	E755-E757 PolarHBondContact O-N 2.78Å; E755-E757 VanDerWaalsContact O-N 3.12Å; E757-F759 PolarHBondContact O-N 2.67Å; E757-K760 HydrophobicContact CB-CD 4.41Å; E757-K760 WeakPolarHBondContact O-CB 3.45Å; E757-K760 WeakPolarHBondContact O-CG 3.18Å; E757-K760 PolarHBondContact O-N 3.03Å
758	L	96.6	Very high	96.3	Very high	26 Å²	26	54.8 Å²	54.8	14%	0.136	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.2	-173	176.4	60.1	0	0	0	112.8	W175 M619 R622 E755 P756	W175-L758 HydrophobicContact CH2-CD1 4.13Å; W175-L758 HydrophobicContact CZ2-CD1 3.78Å; M619-L758 HydrophobicContact CE-CD1 4.18Å; M619-L758 HydrophobicContact CE-CG 4.38Å; M619-L758 WeakPolarHBondContact CE-O 3.34Å; R622-L758 HydrophobicContact CG-CD2 4.17Å; E755-L758 HydrophobicContact CB-CB 4.02Å; E755-L758 WeakPolarHBondContact O-CB 3.4Å; E755-L758 PolarHBondContact O-N 3.24Å; P756-L758 VanDerWaalsContact C-N 3.32Å; P756-L758 PolarHBondContact O-N 3.16Å
759	F	98.1	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.3	-174.9	-60.3	-59.6	0	0	0	114.4	M619 R622 L623 A626 I746 F751 E757 D761 L762 V763	M619-F759 HydrophobicContact CE-CD1 3.89Å; M619-F759 HydrophobicContact CE-CE1 4.27Å; R622-F759 HydrophobicContact CB-CE1 4.4Å; R622-F759 HydrophobicContact CG-CE1 3.97Å; R622-F759 HydrophobicContact CG-CZ 4.17Å; L623-F759 HydrophobicContact CB-CD1 4.13Å; L623-F759 HydrophobicContact CB-CE1 3.69Å; L623-F759 HydrophobicContact CB-CZ 4.14Å; L623-F759 HydrophobicContact CD1-CD1 4.15Å; L623-F759 HydrophobicContact CD1-CD2 4.01Å; L623-F759 HydrophobicContact CD1-CE1 4.04Å; L623-F759 HydrophobicContact CD1-CE2 3.88Å; L623-F759 HydrophobicContact CD1-CG 4.14Å; L623-F759 HydrophobicContact CD1-CZ 3.9Å; L623-F759 HydrophobicContact CG-CE1 4.46Å; A626-F759 HydrophobicContact CB-CE2 4.02Å; A626-F759 HydrophobicContact CB-CZ 3.75Å; I746-F759 HydrophobicContact CG2-CB 3.6Å; I746-F759 HydrophobicContact CG2-CD2 4.38Å; I746-F759 HydrophobicContact CG2-CG 4.23Å; F751-F759 HydrophobicContact CB-CE2 4.28Å; E757-F759 PolarHBondContact O-N 2.67Å; F759-D761 PolarHBondContact O-N 3.06Å; F759-D761 VanDerWaalsContact O-N 3.16Å; F759-L762 HydrophobicContact CD1-CD1 4.04Å; F759-L762 PolarHBondContact O-N 2.87Å; F759-L762 VanDerWaalsContact O-N 3.1Å; F759-V763 PolarHBondContact O-N 3.3Å; F759-V763 VanDerWaalsContact O-N 3.08Å
760	K	97	Very high	96.3	Very high	113 Å²	113	57.3 Å²	57.3	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-36.6	-177.9	74.1	-176.6	-178.7	177.2	0	113.1	E757 V763 N764	E757-K760 HydrophobicContact CB-CD 4.41Å; E757-K760 WeakPolarHBondContact O-CB 3.45Å; E757-K760 WeakPolarHBondContact O-CG 3.18Å; E757-K760 PolarHBondContact O-N 3.03Å; K760-V763 PolarHBondContact O-N 2.85Å; K760-N764 VanDerWaalsContact O-CB 3.27Å; K760-N764 WeakPolarHBondContact O-CB 3.34Å; K760-N764 PolarHBondContact O-N 2.92Å
761	D	96.4	Very high	96.2	Very high	77 Å²	77	59.9 Å²	59.9	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-70.4	-35.8	-176.9	-65.4	-21.4	0	0	0	111.2	H615 F759 M765	H615-D761 IonicContact NE2-OD2 3.2Å; F759-D761 PolarHBondContact O-N 3.06Å; F759-D761 VanDerWaalsContact O-N 3.16Å; D761-M765 VanDerWaalsContact O-CB 3.29Å; D761-M765 WeakPolarHBondContact O-CB 3.06Å; D761-M765 PolarHBondContact O-N 3.12Å
762	L	96.9	Very high	96.2	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-42.1	173.3	-67.9	-178.8	0	0	0	111.3	L578 T616 M619 I620 L623 F759 M765 L766	L578-L762 HydrophobicContact CD2-CD1 4.37Å; T616-L762 HydrophobicContact CG2-CD2 3.74Å; M619-L762 HydrophobicContact CB-CD1 3.98Å; M619-L762 HydrophobicContact CB-CD2 3.91Å; M619-L762 HydrophobicContact CB-CG 3.94Å; I620-L762 HydrophobicContact CG1-CD2 4.14Å; L623-L762 HydrophobicContact CB-CD1 4.15Å; L623-L762 HydrophobicContact CD2-CD1 3.94Å; F759-L762 HydrophobicContact CD1-CD1 4.04Å; F759-L762 PolarHBondContact O-N 2.87Å; F759-L762 VanDerWaalsContact O-N 3.1Å; L762-M765 PolarHBondContact O-N 2.67Å; L762-L766 WeakPolarHBondContact O-CB 3.32Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 3.31Å
763	V	97.5	Very high	96.2	Very high	21 Å²	21	60 Å²	60	13%	0.127	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-48.1	176.1	174.6	0	0	0	0	110.2	M743 I746 F759 K760 M765 L766 M767	M743-V763 HydrophobicContact CE-CB 4.22Å; M743-V763 HydrophobicContact CE-CG1 3.9Å; M743-V763 HydrophobicContact CE-CG2 4.04Å; I746-V763 HydrophobicContact CB-CG2 4.34Å; I746-V763 HydrophobicContact CG2-CG2 3.7Å; F759-V763 PolarHBondContact O-N 3.3Å; F759-V763 VanDerWaalsContact O-N 3.08Å; K760-V763 PolarHBondContact O-N 2.85Å; V763-M765 VanDerWaalsContact C-N 3.34Å; V763-M765 PolarHBondContact O-N 2.76Å; V763-L766 PolarHBondContact O-N 2.91Å; V763-M767 HydrophobicContact CG1-CG 4.2Å; V763-M767 WeakPolarHBondContact O-CB 3.33Å; V763-M767 WeakPolarHBondContact O-CG 3.32Å; V763-M767 PolarHBondContact O-N 2.79Å
764	N	97.2	Very high	96.4	Very high	76 Å²	76	55 Å²	55	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-43.3	177.9	-175.3	72	0	0	0	111.7	K760 M767 H768	K760-N764 VanDerWaalsContact O-CB 3.27Å; K760-N764 WeakPolarHBondContact O-CB 3.34Å; K760-N764 PolarHBondContact O-N 2.92Å; N764-M767 PolarHBondContact O-N 3.35Å; N764-H768 WeakPolarHBondContact O-CB 3.2Å; N764-H768 PolarHBondContact O-CD2 2.93Å; N764-H768 PolarHBondContact O-N 3.17Å; N764-H768 PolarHBondContact OD1-CD2 3.2Å
765	M	97.1	Very high	96.7	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.103	25%	0.245	C	C	.	.	I	π-helix	trans	-59.6	-51.4	174.7	-176.7	-79.2	-73.6	0	0	111.1	E573 L578 T616 D761 L762 V763 M767 H768 H769 D770	E573-M765 HydrophobicContact CG-CE 4.4Å; L578-M765 HydrophobicContact CD1-CE 3.57Å; T616-M765 HydrophobicContact CG2-CE 4.37Å; D761-M765 VanDerWaalsContact O-CB 3.29Å; D761-M765 WeakPolarHBondContact O-CB 3.06Å; D761-M765 PolarHBondContact O-N 3.12Å; L762-M765 PolarHBondContact O-N 2.67Å; V763-M765 VanDerWaalsContact C-N 3.34Å; V763-M765 PolarHBondContact O-N 2.76Å; M765-M767 VanDerWaalsContact C-N 3.29Å; M765-M767 PolarHBondContact O-N 3.3Å; M765-H768 PolarHBondContact O-N 3.19Å; M765-H769 CarbonylContact O-C 3.52Å; M765-H769 VanDerWaalsContact O-C 3.32Å; M765-H769 WeakPolarHBondContact O-CA 3.16Å; M765-H769 PolarHBondContact O-N 3.43Å; M765-D770 PolarHBondContact O-N 3.34Å; M765-D770 HydrophobicContact SD-CB 4.12Å
766	L	97.4	Very high	96.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.223	C	C	.	.	I	π-helix	trans	-60.6	-35.6	-179.8	-75.1	170.6	0	0	0	113.3	L578 A729 M743 L762 V763 V774 F775	L578-L766 HydrophobicContact CD1-CD2 4.24Å; L578-L766 HydrophobicContact CD1-CG 4.47Å; A729-L766 VanDerWaalsContact CB-O 3.32Å; A729-L766 WeakPolarHBondContact CB-O 3.25Å; M743-L766 HydrophobicContact CE-CB 4.19Å; M743-L766 HydrophobicContact CE-CD1 4.02Å; M743-L766 HydrophobicContact SD-CD1 3.97Å; L762-L766 WeakPolarHBondContact O-CB 3.32Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 3.31Å; V763-L766 PolarHBondContact O-N 2.91Å; L766-V774 HydrophobicContact CD2-CB 3.73Å; L766-V774 HydrophobicContact CD2-CG1 3.97Å; L766-V774 HydrophobicContact CD2-CG2 3.79Å; L766-F775 HydrophobicContact CB-CE1 4.13Å; L766-F775 HydrophobicContact CB-CE2 4.5Å; L766-F775 HydrophobicContact CB-CZ 3.75Å; L766-F775 HydrophobicContact CD1-CE1 4.31Å; L766-F775 HydrophobicContact CD2-CE1 4.24Å; L766-F775 HydrophobicContact CG-CE1 4.47Å
767	M	96.4	Very high	97	Very high	28 Å²	28	43.2 Å²	43.2	14%	0.138	20%	0.204	C	C	.	.	I	π-helix	trans	-84.1	-28.8	-176.6	-67	-64.6	-70.2	0	0	113.9	I730 Y733 V763 N764 M765 F775	I730-M767 HydrophobicContact CG1-CE 4Å; Y733-M767 HydrophobicContact CD1-CE 4.07Å; Y733-M767 HydrophobicContact CD2-CE 4.19Å; Y733-M767 HydrophobicContact CD2-SD 4.05Å; Y733-M767 HydrophobicContact CE1-CE 4.5Å; Y733-M767 HydrophobicContact CG-CE 3.89Å; Y733-M767 HydrophobicContact CG-SD 4.17Å; V763-M767 HydrophobicContact CG1-CG 4.2Å; V763-M767 WeakPolarHBondContact O-CB 3.33Å; V763-M767 WeakPolarHBondContact O-CG 3.32Å; V763-M767 PolarHBondContact O-N 2.79Å; N764-M767 PolarHBondContact O-N 3.35Å; M765-M767 VanDerWaalsContact C-N 3.29Å; M765-M767 PolarHBondContact O-N 3.3Å; M767-F775 HydrophobicContact SD-CE2 3.68Å; M767-F775 HydrophobicContact SD-CZ 4.21Å
768	H	95.8	Very high	97.2	Very high	107 Å²	107	37.3 Å²	37.3	50%	0.495	18%	0.177	S	C	.	.	I	π-helix	trans	-129.4	-24.5	-167	-56.9	-58.5	0	0	0	115.2	N764 M765	N764-H768 WeakPolarHBondContact O-CB 3.2Å; N764-H768 PolarHBondContact O-CD2 2.93Å; N764-H768 PolarHBondContact O-N 3.17Å; N764-H768 PolarHBondContact OD1-CD2 3.2Å; M765-H768 PolarHBondContact O-N 3.19Å
769	H	95.8	Very high	97.3	Very high	128 Å²	128	38.9 Å²	38.9	59%	0.593	18%	0.183	S	C	*	.	I	π-helix	trans	-135.1	17.9	-169.6	-56.4	-50.3	0	0	0	113.5	M765 R771	M765-H769 CarbonylContact O-C 3.52Å; M765-H769 VanDerWaalsContact O-C 3.32Å; M765-H769 WeakPolarHBondContact O-CA 3.16Å; M765-H769 PolarHBondContact O-N 3.43Å; H769-R771 PolarHBondContact O-N 2.88Å
770	D	96.4	Very high	97.3	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.048	20%	0.203	C	C	.	.			trans	-72.9	95.4	-176	170.5	25.6	0	0	0	111.6	Y727 M765 F772 K773 V774	Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.41Å; Y727-D770 PolarHBondContact OH-OD2 2.85Å; M765-D770 PolarHBondContact O-N 3.34Å; M765-D770 HydrophobicContact SD-CB 4.12Å; D770-F772 PolarHBondContact O-N 3.31Å; D770-F772 WeakPolarHBondContact OD1-CA 3.47Å; D770-F772 PolarHBondContact OD1-N 3.44Å; D770-K773 VanDerWaalsContact CG-N 3.28Å; D770-K773 PolarHBondContact OD1-N 2.75Å; D770-K773 VanDerWaalsContact OD2-CA 3.23Å; D770-K773 WeakPolarHBondContact OD2-CA 3.2Å; D770-K773 PolarHBondContact OD2-N 3.45Å; D770-V774 PolarHBondContact OD2-N 3.17Å
771	R	94.8	Very high	97.4	Very high	137 Å²	137	37.1 Å²	37.1	52%	0.517	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.3	176	-64.7	174.4	66.2	-157	-1.9	112.6	E383 H769	E383-R771 IonicContact OE1-CZ 3.51Å; E383-R771 VanDerWaalsContact OE1-CZ 3.28Å; E383-R771 IonicContact OE1-NH1 2.59Å; E383-R771 PolarHBondContact OE1-NH1 3.06Å; E383-R771 IonicContact OE1-NH2 3.87Å; E383-R771 PolarHBondContact OE1-NH2 3.22Å; E383-R771 IonicContact OE2-NH1 3.45Å; E383-R771 IonicContact OE2-NH2 2.72Å; E383-R771 PolarHBondContact OE2-NH2 2.95Å; H769-R771 PolarHBondContact O-N 2.88Å
772	F	96.9	Very high	97.5	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	4.8	-167.1	-57.7	-64.6	0	0	0	113.6	E573 Y574 T669 T672 D770 V774	E573-F772 HydrophobicContact CB-CD2 3.5Å; E573-F772 VanDerWaalsContact CB-CD2 3.5Å; E573-F772 HydrophobicContact CB-CE2 3.45Å; E573-F772 VanDerWaalsContact CB-CE2 3.45Å; Y574-F772 VanDerWaalsContact CB-CD1 3.46Å; T669-F772 WeakPolarHBondContact OG1-CB 3.38Å; T669-F772 PolarHBondContact OG1-O 2.95Å; T672-F772 HydrophobicContact CG2-CD1 4.25Å; T672-F772 HydrophobicContact CG2-CE1 4.3Å; D770-F772 PolarHBondContact O-N 3.31Å; D770-F772 WeakPolarHBondContact OD1-CA 3.47Å; D770-F772 PolarHBondContact OD1-N 3.44Å; F772-V774 VanDerWaalsContact C-N 3.33Å; F772-V774 PolarHBondContact O-N 2.75Å
773	K	98.1	Very high	97.6	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	18%	0.18	C	C	.	.			trans	55.6	45.6	166.3	-52.5	172.6	176.4	72.7	0	112.3	M714 V719 M722 D723 Y727 D770 F775 A776	M714-K773 HydrophobicContact CE-CB 3.87Å; M714-K773 HydrophobicContact CE-CD 3.97Å; V719-K773 HydrophobicContact CG1-CD 4.24Å; M722-K773 HydrophobicContact CG-CD 4.35Å; M722-K773 HydrophobicContact SD-CD 3.78Å; M722-K773 HydrophobicContact SD-CG 4.45Å; D723-K773 WeakPolarHBondContact OD1-CE 3.45Å; D723-K773 IonicContact OD1-NZ 2.72Å; D723-K773 PolarHBondContact OD1-NZ 3.38Å; D723-K773 IonicContact OD2-NZ 3.01Å; D723-K773 PolarHBondContact OD2-NZ 3.48Å; Y727-K773 HydrophobicContact CD1-CG 4.16Å; Y727-K773 HydrophobicContact CD2-CB 4.4Å; Y727-K773 HydrophobicContact CD2-CG 4.15Å; Y727-K773 HydrophobicContact CE1-CB 4.48Å; Y727-K773 HydrophobicContact CE1-CG 4.33Å; Y727-K773 HydrophobicContact CE2-CB 4.12Å; Y727-K773 HydrophobicContact CE2-CG 4.33Å; Y727-K773 HydrophobicContact CG-CG 4.05Å; D770-K773 VanDerWaalsContact CG-N 3.28Å; D770-K773 PolarHBondContact OD1-N 2.75Å; D770-K773 VanDerWaalsContact OD2-CA 3.23Å; D770-K773 WeakPolarHBondContact OD2-CA 3.2Å; D770-K773 PolarHBondContact OD2-N 3.45Å; K773-F775 PolarHBondContact O-N 3.5Å; K773-A776 HydrophobicContact CB-CB 3.99Å; K773-A776 WeakPolarHBondContact O-CB 3.44Å; K773-A776 PolarHBondContact O-N 2.72Å; K773-A776 VanDerWaalsContact O-N 3.11Å
774	V	98.5	Very high	97.6	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-41.8	-178	174.1	0	0	0	0	111.3	R576 L579 L582 L766 D770 F772	R576-V774 HydrophobicContact CG-CG2 4.42Å; L579-V774 HydrophobicContact CB-CG1 4.1Å; L579-V774 HydrophobicContact CD1-CG1 4.29Å; L582-V774 HydrophobicContact CD1-CG1 3.76Å; L766-V774 HydrophobicContact CD2-CB 3.73Å; L766-V774 HydrophobicContact CD2-CG1 3.97Å; L766-V774 HydrophobicContact CD2-CG2 3.79Å; D770-V774 PolarHBondContact OD2-N 3.17Å; F772-V774 VanDerWaalsContact C-N 3.33Å; F772-V774 PolarHBondContact O-N 2.75Å
775	F	98.6	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.2	-178	-62.4	-12.2	0	0	0	113.8	L582 Y727 A729 Y732 L739 M743 L766 M767 K773 D777 Y778	L582-F775 HydrophobicContact CD1-CD1 4.12Å; L582-F775 HydrophobicContact CD1-CE1 3.95Å; Y727-F775 PolarHBondContact OH-N 3.22Å; A729-F775 HydrophobicContact CB-CD2 3.75Å; A729-F775 HydrophobicContact CB-CE2 4.06Å; Y732-F775 HydrophobicContact CD2-CB 4.4Å; Y732-F775 HydrophobicContact CG-CB 4.12Å; L739-F775 HydrophobicContact CD1-CD1 3.81Å; L739-F775 HydrophobicContact CD1-CE1 3.88Å; L739-F775 HydrophobicContact CD1-CG 4.43Å; L739-F775 HydrophobicContact CD2-CB 3.95Å; L739-F775 HydrophobicContact CD2-CD1 4.03Å; L739-F775 HydrophobicContact CD2-CD2 4.16Å; L739-F775 HydrophobicContact CD2-CG 3.8Å; L739-F775 HydrophobicContact CG-CD1 4.46Å; M743-F775 HydrophobicContact CE-CZ 3.83Å; M743-F775 HydrophobicContact CG-CE1 4.15Å; M743-F775 HydrophobicContact CG-CZ 3.78Å; M743-F775 HydrophobicContact SD-CE1 3.76Å; M743-F775 HydrophobicContact SD-CZ 3.57Å; M743-F775 VanDerWaalsContact SD-CZ 3.57Å; L766-F775 HydrophobicContact CB-CE1 4.13Å; L766-F775 HydrophobicContact CB-CE2 4.5Å; L766-F775 HydrophobicContact CB-CZ 3.75Å; L766-F775 HydrophobicContact CD1-CE1 4.31Å; L766-F775 HydrophobicContact CD2-CE1 4.24Å; L766-F775 HydrophobicContact CG-CE1 4.47Å; M767-F775 HydrophobicContact SD-CE2 3.68Å; M767-F775 HydrophobicContact SD-CZ 4.21Å; K773-F775 PolarHBondContact O-N 3.5Å; F775-D777 VanDerWaalsContact C-N 3.29Å; F775-D777 PolarHBondContact O-N 3.28Å; F775-Y778 PolarHBondContact O-N 2.97Å
776	A	98.3	Very high	97.8	Very high	14 Å²	14	36.9 Å²	36.9	12%	0.116	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-36.9	-179.8	0	0	0	0	0	112	M714 M722 Y727 Y732 K773	M714-A776 HydrophobicContact CE-CB 3.52Å; M714-A776 HydrophobicContact SD-CB 4.05Å; M722-A776 HydrophobicContact CE-CB 4Å; M722-A776 HydrophobicContact SD-CB 3.97Å; Y727-A776 HydrophobicContact CE2-CB 4.19Å; Y732-A776 HydrophobicContact CE1-CB 4.36Å; Y732-A776 HydrophobicContact CE2-CB 4.32Å; K773-A776 HydrophobicContact CB-CB 3.99Å; K773-A776 WeakPolarHBondContact O-CB 3.44Å; K773-A776 PolarHBondContact O-N 2.72Å; K773-A776 VanDerWaalsContact O-N 3.11Å
777	D	98.6	Very high	97.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	-179.7	-78.1	-15.3	0	0	0	113.9	R576 L579 F712 G713 M714 F775 E779 D780 Y781	R576-D777 IonicContact CZ-OD2 2.68Å; R576-D777 IonicContact NH1-OD2 3.84Å; R576-D777 PolarHBondContact NH1-OD2 3.1Å; R576-D777 IonicContact NH2-OD2 2.74Å; R576-D777 PolarHBondContact NH2-OD2 3.08Å; R576-D777 VanDerWaalsContact NH2-OD2 3.16Å; L579-D777 HydrophobicContact CD2-CB 4.45Å; F712-D777 HydrophobicContact CE2-CB 4.29Å; G713-D777 VanDerWaalsContact CA-OD1 3.25Å; G713-D777 WeakPolarHBondContact CA-OD1 3.44Å; M714-D777 WeakPolarHBondContact CG-OD1 3.38Å; M714-D777 PolarHBondContact N-OD1 2.97Å; F775-D777 VanDerWaalsContact C-N 3.29Å; F775-D777 PolarHBondContact O-N 3.28Å; D777-E779 PolarHBondContact O-N 3.43Å; D777-D780 PolarHBondContact O-N 2.86Å; D777-Y781 VanDerWaalsContact O-CB 3.25Å; D777-Y781 WeakPolarHBondContact O-CB 3.22Å; D777-Y781 PolarHBondContact O-N 3.34Å
778	Y	98.8	Very high	97.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-50.2	-174.1	170.1	-91.9	0	0	0	112.6	L582 T586 I736 L739 F775 D780 Y781 I782	L582-Y778 HydrophobicContact CB-CD2 3.99Å; L582-Y778 HydrophobicContact CB-CE2 3.92Å; L582-Y778 HydrophobicContact CD1-CD2 4.31Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.32Å; T586-Y778 PolarHBondContact OG1-OH 3.49Å; I736-Y778 HydrophobicContact CD1-CD1 4.37Å; I736-Y778 HydrophobicContact CG2-CD1 4.14Å; I736-Y778 HydrophobicContact CG2-CE1 3.8Å; L739-Y778 HydrophobicContact CB-CD1 3.98Å; L739-Y778 HydrophobicContact CB-CE1 3.75Å; L739-Y778 HydrophobicContact CD1-CD1 4.35Å; L739-Y778 HydrophobicContact CD1-CD2 4.05Å; L739-Y778 HydrophobicContact CD1-CE2 4.25Å; L739-Y778 HydrophobicContact CD1-CG 4.1Å; L739-Y778 HydrophobicContact CD2-CD1 4.43Å; L739-Y778 HydrophobicContact CG-CD1 4.48Å; F775-Y778 PolarHBondContact O-N 2.97Å; Y778-D780 VanDerWaalsContact C-N 3.35Å; Y778-D780 PolarHBondContact O-N 2.9Å; Y778-Y781 PolarHBondContact O-N 3.05Å; Y778-I782 HydrophobicContact CD1-CG1 4.44Å; Y778-I782 HydrophobicContact CD2-CD1 4.49Å; Y778-I782 HydrophobicContact CD2-CG1 4.19Å; Y778-I782 HydrophobicContact CE1-CG1 4.04Å; Y778-I782 HydrophobicContact CE2-CD1 3.91Å; Y778-I782 HydrophobicContact CE2-CG1 3.78Å; Y778-I782 WeakPolarHBondContact O-CG1 3.13Å; Y778-I782 PolarHBondContact O-N 3.08Å
779	E	98.4	Very high	98	Very high	60 Å²	60	37.7 Å²	37.7	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-63	-42.1	-174.3	-153	-171.5	125.3	0	0	111.6	R735 I736 D777 K783	R735-E779 IonicContact CZ-OE2 3.71Å; R735-E779 IonicContact NH2-OE2 3.32Å; R735-E779 PolarHBondContact NH2-OE2 3.37Å; I736-E779 HydrophobicContact CD1-CB 4.31Å; D777-E779 PolarHBondContact O-N 3.43Å; E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.46Å; E779-K783 PolarHBondContact O-N 3.13Å; E779-K783 VanDerWaalsContact O-N 3.15Å; E779-K783 WeakPolarHBondContact OE1-CE 3.4Å; E779-K783 IonicContact OE1-NZ 3.97Å; E779-K783 PolarHBondContact OE1-NZ 3.4Å
780	D	98.6	Very high	98.1	Very high	75 Å²	75	34.7 Å²	34.7	40%	0.401	17%	0.17	S	C	.	.	H	α-helix	trans	-71.7	-35.8	179	-72.3	-15.8	0	0	0	112.2	F712 D777 Y778 K783 C784	F712-D780 HydrophobicContact CB-CB 4.45Å; F712-D780 HydrophobicContact CD2-CB 4.48Å; D777-D780 PolarHBondContact O-N 2.86Å; Y778-D780 VanDerWaalsContact C-N 3.35Å; Y778-D780 PolarHBondContact O-N 2.9Å; D780-K783 PolarHBondContact O-N 3.35Å; D780-C784 VanDerWaalsContact O-CB 3.31Å; D780-C784 WeakPolarHBondContact O-CB 3.37Å; D780-C784 PolarHBondContact O-N 3.21Å
781	Y	98.8	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-48.6	174.3	-178.3	-130.6	0	0	0	111.7	L579 N580 H583 E665 I667 I690 F712 D777 Y778 K783 C784 Q785	L579-Y781 HydrophobicContact CD1-CD1 3.74Å; L579-Y781 HydrophobicContact CD1-CE1 4.43Å; L579-Y781 HydrophobicContact CD1-CG 4.34Å; L579-Y781 HydrophobicContact CD2-CD1 4.14Å; L579-Y781 HydrophobicContact CD2-CG 4.19Å; L579-Y781 HydrophobicContact CG-CD1 3.59Å; L579-Y781 HydrophobicContact CG-CE1 3.92Å; L579-Y781 HydrophobicContact CG-CG 4.15Å; N580-Y781 PolarHBondContact OD1-OH 2.88Å; H583-Y781 HydrophobicContact CB-CD1 4.01Å; H583-Y781 HydrophobicContact CB-CE1 3.39Å; H583-Y781 AromaticContact CG-CE1 3.97Å; E665-Y781 VanDerWaalsContact CD-OH 3.28Å; E665-Y781 PolarHBondContact OE1-OH 3.05Å; E665-Y781 PolarHBondContact OE2-OH 3.27Å; E665-Y781 VanDerWaalsContact OE2-OH 3.09Å; I667-Y781 HydrophobicContact CG2-CE2 4Å; I690-Y781 HydrophobicContact CD1-CD2 4Å; I690-Y781 HydrophobicContact CD1-CE2 3.73Å; I690-Y781 HydrophobicContact CG1-CE2 4.32Å; F712-Y781 HydrophobicContact CD1-CD2 4.12Å; F712-Y781 HydrophobicContact CD2-CD2 4.18Å; F712-Y781 HydrophobicContact CD2-CG 4.41Å; F712-Y781 AromaticContact CE1-CD2 3.53Å; F712-Y781 HydrophobicContact CE1-CD2 3.53Å; F712-Y781 HydrophobicContact CE1-CE2 4.07Å; F712-Y781 VanDerWaalsContact CE2-CB 3.46Å; F712-Y781 AromaticContact CE2-CD2 3.63Å; F712-Y781 HydrophobicContact CE2-CD2 3.63Å; F712-Y781 AromaticContact CE2-CG 3.85Å; F712-Y781 HydrophobicContact CE2-CG 3.85Å; F712-Y781 HydrophobicContact CG-CD2 4.41Å; F712-Y781 AromaticContact CZ-CD2 3.26Å; F712-Y781 HydrophobicContact CZ-CD2 3.26Å; F712-Y781 AromaticContact CZ-CE2 3.97Å; F712-Y781 HydrophobicContact CZ-CE2 3.97Å; F712-Y781 AromaticContact CZ-CG 3.91Å; F712-Y781 HydrophobicContact CZ-CG 3.91Å; D777-Y781 VanDerWaalsContact O-CB 3.25Å; D777-Y781 WeakPolarHBondContact O-CB 3.22Å; D777-Y781 PolarHBondContact O-N 3.34Å; Y778-Y781 PolarHBondContact O-N 3.05Å; Y781-K783 PolarHBondContact O-N 3.35Å; Y781-C784 PolarHBondContact O-N 3.26Å; Y781-Q785 HydrophobicContact CD2-CG 4.26Å; Y781-Q785 HydrophobicContact CE2-CG 3.94Å; Y781-Q785 WeakPolarHBondContact O-CG 3.39Å; Y781-Q785 PolarHBondContact O-N 3.26Å; Y781-Q785 PolarHBondContact OH-NE2 3.16Å
782	I	98.7	Very high	98.4	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-45	178.3	-61.4	-58.7	0	0	0	111.1	H583 T586 Y778 C784 Q785 E786	H583-I782 HydrophobicContact CB-CD1 3.76Å; T586-I782 HydrophobicContact CG2-CD1 4.22Å; Y778-I782 HydrophobicContact CD1-CG1 4.44Å; Y778-I782 HydrophobicContact CD2-CD1 4.49Å; Y778-I782 HydrophobicContact CD2-CG1 4.19Å; Y778-I782 HydrophobicContact CE1-CG1 4.04Å; Y778-I782 HydrophobicContact CE2-CD1 3.91Å; Y778-I782 HydrophobicContact CE2-CG1 3.78Å; Y778-I782 WeakPolarHBondContact O-CG1 3.13Å; Y778-I782 PolarHBondContact O-N 3.08Å; I782-C784 VanDerWaalsContact C-N 3.29Å; I782-C784 PolarHBondContact O-N 2.86Å; I782-Q785 PolarHBondContact O-N 3.5Å; I782-E786 WeakPolarHBondContact O-CG 3.44Å; I782-E786 PolarHBondContact O-N 2.84Å; I782-E786 VanDerWaalsContact O-N 3.09Å
783	K	98.6	Very high	98.4	Very high	92 Å²	92	37.2 Å²	37.2	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-60.7	-38.2	175.6	-72.2	170.4	-171.7	163.2	0	112.3	E779 D780 Y781 E786 K787	E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.46Å; E779-K783 PolarHBondContact O-N 3.13Å; E779-K783 VanDerWaalsContact O-N 3.15Å; E779-K783 WeakPolarHBondContact OE1-CE 3.4Å; E779-K783 IonicContact OE1-NZ 3.97Å; E779-K783 PolarHBondContact OE1-NZ 3.4Å; D780-K783 PolarHBondContact O-N 3.35Å; Y781-K783 PolarHBondContact O-N 3.35Å; K783-E786 WeakPolarHBondContact O-CB 3.38Å; K783-E786 PolarHBondContact O-N 3.23Å; K783-K787 PolarHBondContact O-N 3.2Å
784	C	98.8	Very high	98.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-41.6	177.7	-160.8	0	0	0	0	111.3	I690 F712 D780 Y781 I782 E786 K787 V788	I690-C784 HydrophobicContact CD1-CB 4.11Å; F712-C784 HydrophobicContact CB-CB 3.81Å; F712-C784 HydrophobicContact CD1-CB 4.43Å; F712-C784 HydrophobicContact CG-CB 4.27Å; D780-C784 VanDerWaalsContact O-CB 3.31Å; D780-C784 WeakPolarHBondContact O-CB 3.37Å; D780-C784 PolarHBondContact O-N 3.21Å; Y781-C784 PolarHBondContact O-N 3.26Å; I782-C784 VanDerWaalsContact C-N 3.29Å; I782-C784 PolarHBondContact O-N 2.86Å; C784-E786 PolarHBondContact O-N 2.89Å; C784-K787 WeakPolarHBondContact O-CA 3.47Å; C784-K787 WeakPolarHBondContact O-CB 3.44Å; C784-K787 PolarHBondContact O-N 2.73Å; C784-V788 PolarHBondContact O-N 2.81Å; C784-V788 VanDerWaalsContact O-N 3.09Å
785	Q	98.6	Very high	98.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-31.5	174.5	-71.5	-73.1	16	0	0	113	R602 E665 I690 Y781 I782 V788 N789	R602-Q785 PolarHBondContact NH2-O 3.43Å; R602-Q785 VanDerWaalsContact NH2-O 3.11Å; E665-Q785 PolarHBondContact OE1-NE2 3.28Å; I690-Q785 HydrophobicContact CD1-CG 3.81Å; Y781-Q785 HydrophobicContact CD2-CG 4.26Å; Y781-Q785 HydrophobicContact CE2-CG 3.94Å; Y781-Q785 WeakPolarHBondContact O-CG 3.39Å; Y781-Q785 PolarHBondContact O-N 3.26Å; Y781-Q785 PolarHBondContact OH-NE2 3.16Å; I782-Q785 PolarHBondContact O-N 3.5Å; Q785-V788 WeakPolarHBondContact O-CB 3.31Å; Q785-V788 PolarHBondContact O-N 3.14Å; Q785-N789 PolarHBondContact O-N 3.44Å; Q785-N789 PolarHBondContact O-ND2 3.3Å
786	E	98.1	Very high	98.3	Very high	86 Å²	86	49 Å²	49	40%	0.402	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-38.7	171.8	-69.4	172.2	-176.7	0	0	112.6	R590 I782 K783 C784 N789 A790	R590-E786 IonicContact CZ-OE1 3.92Å; R590-E786 IonicContact NH1-OE1 3.79Å; R590-E786 PolarHBondContact NH1-OE1 2.79Å; R590-E786 IonicContact NH2-OE1 3.52Å; R590-E786 PolarHBondContact NH2-OE1 2.68Å; I782-E786 WeakPolarHBondContact O-CG 3.44Å; I782-E786 PolarHBondContact O-N 2.84Å; I782-E786 VanDerWaalsContact O-N 3.09Å; K783-E786 WeakPolarHBondContact O-CB 3.38Å; K783-E786 PolarHBondContact O-N 3.23Å; C784-E786 PolarHBondContact O-N 2.89Å; E786-N789 WeakPolarHBondContact O-CB 3.35Å; E786-N789 PolarHBondContact O-N 3.38Å; E786-A790 PolarHBondContact O-N 2.8Å
787	K	98.4	Very high	98.3	Very high	135 Å²	135	51.7 Å²	51.7	59%	0.587	26%	0.259	S	S	*	.	H	α-helix	trans	-63.7	-41.8	173.9	-61.2	175.8	-176.4	174.6	0	111.3	F710 K783 C784 A790 L791	F710-K787 HydrophobicContact CD1-CB 4.34Å; F710-K787 HydrophobicContact CE1-CB 4.12Å; K783-K787 PolarHBondContact O-N 3.2Å; C784-K787 WeakPolarHBondContact O-CA 3.47Å; C784-K787 WeakPolarHBondContact O-CB 3.44Å; C784-K787 PolarHBondContact O-N 2.73Å; K787-A790 PolarHBondContact O-N 2.81Å; K787-L791 PolarHBondContact O-N 2.63Å
788	V	98.6	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-49.9	173.5	178	0	0	0	0	110.2	M563 L663 I690 F710 C784 Q785 A790 L791 Y792 W798	M563-V788 HydrophobicContact CE-CG1 3.81Å; M563-V788 HydrophobicContact SD-CG1 3.67Å; L663-V788 HydrophobicContact CD1-CG1 3.89Å; L663-V788 HydrophobicContact CD1-CG2 4.15Å; L663-V788 HydrophobicContact CD2-CG1 3.91Å; L663-V788 HydrophobicContact CG-CG1 4.45Å; I690-V788 HydrophobicContact CD1-CG2 4.31Å; F710-V788 HydrophobicContact CB-CG2 4.18Å; F710-V788 HydrophobicContact CD1-CG2 3.72Å; F710-V788 HydrophobicContact CD2-CG2 3.69Å; F710-V788 HydrophobicContact CE1-CG2 3.9Å; F710-V788 HydrophobicContact CE2-CG2 3.86Å; F710-V788 HydrophobicContact CG-CG2 3.59Å; F710-V788 HydrophobicContact CZ-CB 4.37Å; F710-V788 HydrophobicContact CZ-CG2 3.95Å; C784-V788 PolarHBondContact O-N 2.81Å; C784-V788 VanDerWaalsContact O-N 3.09Å; Q785-V788 WeakPolarHBondContact O-CB 3.31Å; Q785-V788 PolarHBondContact O-N 3.14Å; V788-A790 VanDerWaalsContact C-N 3.27Å; V788-A790 PolarHBondContact O-N 3.46Å; V788-L791 PolarHBondContact O-N 3.06Å; V788-Y792 PolarHBondContact O-N 2.75Å; V788-W798 HydrophobicContact CG1-CH2 4.1Å; V788-W798 HydrophobicContact CG1-CZ3 4Å
789	N	97.7	Very high	98.3	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-38.1	178.6	-76.4	-32.1	0	0	0	112.8	T600 R602 Q785 E786	T600-N789 PolarHBondContact OG1-O 2.93Å; R602-N789 VanDerWaalsContact CZ-OD1 3.23Å; R602-N789 PolarHBondContact NE-OD1 3.49Å; R602-N789 PolarHBondContact NH2-ND2 2.9Å; R602-N789 PolarHBondContact NH2-OD1 2.85Å; Q785-N789 PolarHBondContact O-N 3.44Å; Q785-N789 PolarHBondContact O-ND2 3.3Å; E786-N789 WeakPolarHBondContact O-CB 3.35Å; E786-N789 PolarHBondContact O-N 3.38Å
790	A	98.1	Very high	98.3	Very high	65 Å²	65	51.5 Å²	51.5	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-44.6	178.7	0	0	0	0	0	111.7	E786 K787 V788 K793	E786-A790 PolarHBondContact O-N 2.8Å; K787-A790 PolarHBondContact O-N 2.81Å; V788-A790 VanDerWaalsContact C-N 3.27Å; V788-A790 PolarHBondContact O-N 3.46Å; A790-K793 PolarHBondContact O-N 2.83Å
791	L	98.5	Very high	98.3	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-40.8	179.2	-176.4	70.9	0	0	0	112	L688 F710 K787 V788 K793 N794 E797 W798 K801	L688-L791 HydrophobicContact CD1-CD2 3.97Å; F710-L791 HydrophobicContact CE2-CD2 4.27Å; F710-L791 HydrophobicContact CZ-CB 4.23Å; F710-L791 HydrophobicContact CZ-CD2 3.64Å; K787-L791 PolarHBondContact O-N 2.63Å; V788-L791 PolarHBondContact O-N 3.06Å; L791-K793 PolarHBondContact O-N 3.38Å; L791-K793 VanDerWaalsContact O-N 3.11Å; L791-N794 CarbonylContact O-C 3.57Å; L791-N794 WeakPolarHBondContact O-CA 3.5Å; L791-N794 PolarHBondContact O-N 2.9Å; L791-E797 HydrophobicContact CD1-CB 4.11Å; L791-W798 HydrophobicContact CB-CE3 4.17Å; L791-W798 HydrophobicContact CD2-CD2 4.45Å; L791-W798 HydrophobicContact CD2-CE3 3.66Å; L791-W798 HydrophobicContact CD2-CZ3 4.21Å; L791-W798 HydrophobicContact CG-CB 4.42Å; L791-W798 HydrophobicContact CG-CE3 3.83Å; L791-K801 HydrophobicContact CD2-CD 3.68Å
792	Y	98.4	Very high	98.3	Very high	43 Å²	43	50.4 Å²	50.4	17%	0.169	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-22.3	-178.5	-167.4	-96.9	0	0	0	112.9	K543 S562 M563 T600 D662 V788 N794 W798	K543-Y792 PolarHBondContact NZ-OH 3.16Å; K543-Y792 VanDerWaalsContact NZ-OH 3.07Å; S562-Y792 PolarHBondContact O-OH 2.8Å; M563-Y792 HydrophobicContact CB-CD1 4.07Å; M563-Y792 HydrophobicContact CB-CD2 4.11Å; M563-Y792 HydrophobicContact CB-CE1 3.8Å; M563-Y792 HydrophobicContact CB-CE2 3.86Å; M563-Y792 HydrophobicContact CB-CG 4.22Å; M563-Y792 HydrophobicContact CG-CD2 3.81Å; M563-Y792 HydrophobicContact CG-CE2 3.72Å; M563-Y792 HydrophobicContact CG-CG 4.27Å; M563-Y792 HydrophobicContact SD-CD2 3.8Å; M563-Y792 HydrophobicContact SD-CE2 4.34Å; M563-Y792 HydrophobicContact SD-CG 4Å; T600-Y792 HydrophobicContact CG2-CD1 3.71Å; T600-Y792 HydrophobicContact CG2-CG 4.45Å; D662-Y792 HydrophobicContact CB-CE2 4.21Å; V788-Y792 PolarHBondContact O-N 2.75Å; Y792-N794 PolarHBondContact O-N 3.29Å; Y792-W798 AromaticContact CD2-CD2 3.82Å; Y792-W798 HydrophobicContact CD2-CD2 3.82Å; Y792-W798 AromaticContact CD2-CE2 3.83Å; Y792-W798 AromaticContact CD2-CE3 3.86Å; Y792-W798 HydrophobicContact CD2-CE3 3.86Å; Y792-W798 HydrophobicContact CD2-CG 4.47Å; Y792-W798 AromaticContact CD2-CH2 3.98Å; Y792-W798 HydrophobicContact CD2-CH2 3.98Å; Y792-W798 AromaticContact CD2-CZ2 3.92Å; Y792-W798 HydrophobicContact CD2-CZ2 3.92Å; Y792-W798 AromaticContact CD2-CZ3 3.94Å; Y792-W798 HydrophobicContact CD2-CZ3 3.94Å; Y792-W798 HydrophobicContact CE2-CZ2 4.41Å; Y792-W798 HydrophobicContact CG-CE3 4.38Å; Y792-W798 HydrophobicContact CG-CZ3 4.45Å
793	K	97.2	Very high	98.3	Very high	131 Å²	131	50.1 Å²	50.1	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.3	171.7	-67.5	179.1	-178.8	-171.7	0	113.6	T600 A790 L791 P795	T600-K793 WeakPolarHBondContact OG1-CE 3.43Å; A790-K793 PolarHBondContact O-N 2.83Å; L791-K793 PolarHBondContact O-N 3.38Å; L791-K793 VanDerWaalsContact O-N 3.11Å; K793-P795 WeakPolarHBondContact O-CD 3.21Å
794	N	98	Very high	98.3	Very high	76 Å²	76	48.5 Å²	48.5	41%	0.406	24%	0.242	S	C	.	.			trans	-115.1	87.2	174.7	-173.6	-13.9	0	0	0	110	L791 Y792 K796 E797 W798	L791-N794 CarbonylContact O-C 3.57Å; L791-N794 WeakPolarHBondContact O-CA 3.5Å; L791-N794 PolarHBondContact O-N 2.9Å; Y792-N794 PolarHBondContact O-N 3.29Å; N794-K796 VanDerWaalsContact C-N 3.28Å; N794-K796 PolarHBondContact O-N 3.45Å; N794-E797 HydrophobicContact CB-CB 4.42Å; N794-E797 VanDerWaalsContact ND2-CG 3.29Å; N794-E797 WeakPolarHBondContact ND2-CG 3.46Å; N794-E797 PolarHBondContact O-N 3.39Å; N794-E797 PolarHBondContact OD1-N 3.17Å; N794-W798 WeakPolarHBondContact O-CB 3.08Å; N794-W798 PolarHBondContact O-N 3.42Å
795	P	97.5	Very high	98.3	Very high	91 Å²	91	48.2 Å²	48.2	59%	0.591	24%	0.241	S	C	*	.	H	α-helix	trans	-59.9	-35.7	-172.8	-25.6	34.9	0	0	0	113.8	K793 W798 T799	K793-P795 WeakPolarHBondContact O-CD 3.21Å; P795-W798 PolarHBondContact O-N 3.05Å; P795-T799 WeakPolarHBondContact O-CB 3.43Å; P795-T799 PolarHBondContact O-N 2.86Å; P795-T799 PolarHBondContact O-OG1 2.75Å
796	K	98.1	Very high	98.3	Very high	89 Å²	89	48.4 Å²	48.4	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-49.7	-179.9	-174.2	171.1	-172.6	167.1	0	110.9	D529 I532 N794 T799 K800	D529-K796 WeakPolarHBondContact OD1-CE 3.48Å; D529-K796 IonicContact OD1-NZ 3.65Å; D529-K796 PolarHBondContact OD1-NZ 2.87Å; D529-K796 IonicContact OD2-NZ 2.92Å; I532-K796 HydrophobicContact CD1-CG 4.44Å; I532-K796 HydrophobicContact CG2-CG 4.48Å; N794-K796 VanDerWaalsContact C-N 3.28Å; N794-K796 PolarHBondContact O-N 3.45Å; K796-T799 PolarHBondContact O-N 3.27Å; K796-K800 WeakPolarHBondContact O-CG 3.47Å; K796-K800 PolarHBondContact O-N 3.18Å
797	E	98.4	Very high	98.3	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	22%	0.222	S	C	.	.	H	α-helix	trans	-71.9	-32.6	-179.9	-65	-56.6	128.3	0	0	112.4	L791 N794 K800 K801	L791-E797 HydrophobicContact CD1-CB 4.11Å; N794-E797 HydrophobicContact CB-CB 4.42Å; N794-E797 VanDerWaalsContact ND2-CG 3.29Å; N794-E797 WeakPolarHBondContact ND2-CG 3.46Å; N794-E797 PolarHBondContact O-N 3.39Å; N794-E797 PolarHBondContact OD1-N 3.17Å; E797-K800 PolarHBondContact O-N 3.26Å; E797-K800 IonicContact OE1-NZ 2.64Å; E797-K800 PolarHBondContact OE1-NZ 2.83Å; E797-K800 IonicContact OE2-NZ 3.81Å; E797-K801 PolarHBondContact O-N 3.5Å
798	W	98.8	Very high	98.3	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-57.2	-52.2	168.9	179.8	-85.5	0	0	0	111.5	M563 D662 L688 F710 V788 L791 Y792 N794 P795 K800 K801 V802	M563-W798 HydrophobicContact SD-CH2 3.88Å; M563-W798 HydrophobicContact SD-CZ3 4.37Å; D662-W798 HydrophobicContact CB-CZ2 4.01Å; D662-W798 WeakPolarHBondContact O-CZ2 3.26Å; L688-W798 HydrophobicContact CB-CH2 4.22Å; L688-W798 HydrophobicContact CB-CZ2 4.17Å; L688-W798 HydrophobicContact CD1-CD2 3.78Å; L688-W798 HydrophobicContact CD1-CE3 3.78Å; L688-W798 HydrophobicContact CD1-CH2 3.81Å; L688-W798 HydrophobicContact CD1-CZ2 3.8Å; L688-W798 HydrophobicContact CD1-CZ3 3.8Å; L688-W798 HydrophobicContact CG-CH2 4.27Å; L688-W798 HydrophobicContact CG-CZ2 3.95Å; F710-W798 HydrophobicContact CE2-CZ3 4.34Å; V788-W798 HydrophobicContact CG1-CH2 4.1Å; V788-W798 HydrophobicContact CG1-CZ3 4Å; L791-W798 HydrophobicContact CB-CE3 4.17Å; L791-W798 HydrophobicContact CD2-CD2 4.45Å; L791-W798 HydrophobicContact CD2-CE3 3.66Å; L791-W798 HydrophobicContact CD2-CZ3 4.21Å; L791-W798 HydrophobicContact CG-CB 4.42Å; L791-W798 HydrophobicContact CG-CE3 3.83Å; Y792-W798 AromaticContact CD2-CD2 3.82Å; Y792-W798 HydrophobicContact CD2-CD2 3.82Å; Y792-W798 AromaticContact CD2-CE2 3.83Å; Y792-W798 AromaticContact CD2-CE3 3.86Å; Y792-W798 HydrophobicContact CD2-CE3 3.86Å; Y792-W798 HydrophobicContact CD2-CG 4.47Å; Y792-W798 AromaticContact CD2-CH2 3.98Å; Y792-W798 HydrophobicContact CD2-CH2 3.98Å; Y792-W798 AromaticContact CD2-CZ2 3.92Å; Y792-W798 HydrophobicContact CD2-CZ2 3.92Å; Y792-W798 AromaticContact CD2-CZ3 3.94Å; Y792-W798 HydrophobicContact CD2-CZ3 3.94Å; Y792-W798 HydrophobicContact CE2-CZ2 4.41Å; Y792-W798 HydrophobicContact CG-CE3 4.38Å; Y792-W798 HydrophobicContact CG-CZ3 4.45Å; N794-W798 WeakPolarHBondContact O-CB 3.08Å; N794-W798 PolarHBondContact O-N 3.42Å; P795-W798 PolarHBondContact O-N 3.05Å; W798-K800 VanDerWaalsContact C-N 3.33Å; W798-K800 PolarHBondContact O-N 2.98Å; W798-K801 PolarHBondContact O-N 3.31Å; W798-K801 VanDerWaalsContact O-N 3.16Å; W798-V802 PolarHBondContact O-N 3.12Å
799	T	98.8	Very high	98.2	Very high	12 Å²	12	38.2 Å²	38.2	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-33.2	-177.9	-59.8	0	0	0	0	112.5	I532 V535 A536 P795 K796 K801 V802 I803	I532-T799 HydrophobicContact CB-CG2 4.49Å; I532-T799 HydrophobicContact CG2-CG2 3.88Å; I532-T799 WeakPolarHBondContact O-CG2 3.49Å; V535-T799 HydrophobicContact CB-CG2 4.1Å; V535-T799 HydrophobicContact CG1-CG2 3.96Å; A536-T799 HydrophobicContact CB-CG2 4.36Å; P795-T799 WeakPolarHBondContact O-CB 3.43Å; P795-T799 PolarHBondContact O-N 2.86Å; P795-T799 PolarHBondContact O-OG1 2.75Å; K796-T799 PolarHBondContact O-N 3.27Å; T799-K801 PolarHBondContact O-N 2.78Å; T799-V802 WeakPolarHBondContact O-CB 3.38Å; T799-V802 PolarHBondContact O-N 3.43Å; T799-I803 HydrophobicContact CG2-CD1 4.23Å; T799-I803 WeakPolarHBondContact O-CG1 3.41Å; T799-I803 PolarHBondContact O-N 3.32Å
800	K	98.6	Very high	98.2	Very high	33 Å²	33	37.2 Å²	37.2	14%	0.143	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-45.4	171.4	-74.5	-176.9	179.9	170.8	0	112.3	V526 N527 I532 K796 E797 W798 V802 I803 H804	V526-K800 HydrophobicContact CG2-CB 4.13Å; V526-K800 HydrophobicContact CG2-CG 4.26Å; V526-K800 WeakPolarHBondContact O-CG 3.41Å; N527-K800 WeakPolarHBondContact OD1-CE 3.45Å; N527-K800 PolarHBondContact OD1-NZ 2.78Å; I532-K800 HydrophobicContact CD1-CG 4.07Å; K796-K800 WeakPolarHBondContact O-CG 3.47Å; K796-K800 PolarHBondContact O-N 3.18Å; E797-K800 PolarHBondContact O-N 3.26Å; E797-K800 IonicContact OE1-NZ 2.64Å; E797-K800 PolarHBondContact OE1-NZ 2.83Å; E797-K800 IonicContact OE2-NZ 3.81Å; W798-K800 VanDerWaalsContact C-N 3.33Å; W798-K800 PolarHBondContact O-N 2.98Å; K800-V802 VanDerWaalsContact C-N 3.28Å; K800-V802 PolarHBondContact O-N 2.8Å; K800-I803 PolarHBondContact O-N 3.09Å; K800-H804 PolarHBondContact O-CD2 2.94Å; K800-H804 VanDerWaalsContact O-CD2 3.28Å; K800-H804 PolarHBondContact O-N 3.02Å
801	K	98.6	Very high	98.2	Very high	46 Å²	46	36.5 Å²	36.5	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-35.6	175.4	-69.6	-165.5	174.5	-74.3	0	112.1	L688 E707 N708 L791 E797 W798 T799 H804 N805	L688-K801 HydrophobicContact CD1-CB 4.15Å; L688-K801 HydrophobicContact CD2-CB 3.99Å; E707-K801 PolarHBondContact O-NZ 3.13Å; N708-K801 WeakPolarHBondContact OD1-CG 3.2Å; N708-K801 PolarHBondContact OD1-NZ 3.23Å; L791-K801 HydrophobicContact CD2-CD 3.68Å; E797-K801 PolarHBondContact O-N 3.5Å; W798-K801 PolarHBondContact O-N 3.31Å; W798-K801 VanDerWaalsContact O-N 3.16Å; T799-K801 PolarHBondContact O-N 2.78Å; K801-H804 PolarHBondContact O-N 3.37Å; K801-N805 PolarHBondContact O-N 3.14Å; K801-N805 PolarHBondContact O-ND2 3.45Å
802	V	98.8	Very high	98.2	Very high	7 Å²	7	35 Å²	35	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-46.6	172.2	164.6	0	0	0	0	111	V535 G686 L688 W798 T799 K800 H804 N805 I806	V535-V802 HydrophobicContact CG1-CG1 4.1Å; G686-V802 VanDerWaalsContact CA-CG1 3.46Å; G686-V802 WeakPolarHBondContact O-CG1 3.43Å; G686-V802 WeakPolarHBondContact O-CG2 3.46Å; L688-V802 HydrophobicContact CD2-CG2 3.87Å; L688-V802 HydrophobicContact CG-CG2 3.94Å; W798-V802 PolarHBondContact O-N 3.12Å; T799-V802 WeakPolarHBondContact O-CB 3.38Å; T799-V802 PolarHBondContact O-N 3.43Å; K800-V802 VanDerWaalsContact C-N 3.28Å; K800-V802 PolarHBondContact O-N 2.8Å; V802-H804 PolarHBondContact O-N 3.29Å; V802-N805 WeakPolarHBondContact O-CB 3.46Å; V802-N805 PolarHBondContact O-N 2.99Å; V802-N805 VanDerWaalsContact O-N 3.15Å; V802-I806 HydrophobicContact CG1-CD1 3.85Å; V802-I806 HydrophobicContact CG1-CG1 4.46Å; V802-I806 WeakPolarHBondContact O-CG1 3.23Å; V802-I806 PolarHBondContact O-N 2.83Å
803	I	98.8	Very high	98.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-43.5	177.9	-68.9	162.2	0	0	0	111.1	V526 F531 I532 V535 T799 K800 N805 I806 A807	V526-I803 HydrophobicContact CB-CG2 4.28Å; V526-I803 HydrophobicContact CG2-CB 4.37Å; V526-I803 HydrophobicContact CG2-CG2 4.16Å; F531-I803 HydrophobicContact CD1-CD1 3.72Å; F531-I803 HydrophobicContact CD1-CG1 4.26Å; F531-I803 HydrophobicContact CE1-CD1 3.84Å; F531-I803 HydrophobicContact CE1-CG1 3.85Å; F531-I803 HydrophobicContact CE1-CG2 3.88Å; I532-I803 HydrophobicContact CG1-CD1 3.94Å; V535-I803 HydrophobicContact CG1-CG1 4.41Å; V535-I803 HydrophobicContact CG2-CD1 4.47Å; V535-I803 HydrophobicContact CG2-CG1 4.23Å; T799-I803 HydrophobicContact CG2-CD1 4.23Å; T799-I803 WeakPolarHBondContact O-CG1 3.41Å; T799-I803 PolarHBondContact O-N 3.32Å; K800-I803 PolarHBondContact O-N 3.09Å; I803-N805 VanDerWaalsContact C-N 3.3Å; I803-N805 PolarHBondContact O-N 3.33Å; I803-I806 PolarHBondContact O-N 2.72Å; I803-A807 VanDerWaalsContact O-CB 3.28Å; I803-A807 WeakPolarHBondContact O-CB 3.28Å; I803-A807 PolarHBondContact O-N 3.4Å
804	H	98.6	Very high	98.3	Very high	58 Å²	58	26.9 Å²	26.9	27%	0.269	14%	0.136	S	C	.	.	H	α-helix	trans	-57.1	-42.6	173.9	-81.2	-70.1	0	0	0	112.5	L523 N708 K800 K801 V802 A807 G808	L523-H804 VanDerWaalsContact CD2-ND1 3.35Å; L523-H804 WeakPolarHBondContact CD2-ND1 3.5Å; N708-H804 HydrophobicContact CB-CB 4.34Å; K800-H804 PolarHBondContact O-CD2 2.94Å; K800-H804 VanDerWaalsContact O-CD2 3.28Å; K800-H804 PolarHBondContact O-N 3.02Å; K801-H804 PolarHBondContact O-N 3.37Å; V802-H804 PolarHBondContact O-N 3.29Å; H804-A807 PolarHBondContact O-N 3.35Å; H804-G808 PolarHBondContact O-N 3.47Å
805	N	98.7	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-44.6	177.7	-84.5	-98	0	0	0	112.2	M683 L688 N708 L709 K801 V802 I803 A807 G808 C809	M683-N805 WeakPolarHBondContact CE-O 3.22Å; M683-N805 HydrophobicContact CG-CB 4.12Å; M683-N805 WeakPolarHBondContact CG-O 3.42Å; L688-N805 WeakPolarHBondContact CD2-ND2 3.35Å; N708-N805 PolarHBondContact O-ND2 3.41Å; L709-N805 WeakPolarHBondContact CD1-OD1 3.15Å; K801-N805 PolarHBondContact O-N 3.14Å; K801-N805 PolarHBondContact O-ND2 3.45Å; V802-N805 WeakPolarHBondContact O-CB 3.46Å; V802-N805 PolarHBondContact O-N 2.99Å; V802-N805 VanDerWaalsContact O-N 3.15Å; I803-N805 VanDerWaalsContact C-N 3.3Å; I803-N805 PolarHBondContact O-N 3.33Å; N805-A807 VanDerWaalsContact C-N 3.33Å; N805-A807 PolarHBondContact O-N 3.07Å; N805-G808 PolarHBondContact O-N 3.27Å; N805-C809 PolarHBondContact O-N 3.38Å
806	I	98.8	Very high	98.3	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-46.2	176.2	-64.4	167	0	0	0	109.8	L500 I504 L519 L522 V802 I803 G808 C809	L500-I806 HydrophobicContact CD1-CD1 4.32Å; L500-I806 HydrophobicContact CD2-CD1 4.2Å; I504-I806 HydrophobicContact CD1-CG2 4.15Å; L519-I806 HydrophobicContact CD1-CG2 4.49Å; L522-I806 HydrophobicContact CD1-CG2 3.91Å; V802-I806 HydrophobicContact CG1-CD1 3.85Å; V802-I806 HydrophobicContact CG1-CG1 4.46Å; V802-I806 WeakPolarHBondContact O-CG1 3.23Å; V802-I806 PolarHBondContact O-N 2.83Å; I803-I806 PolarHBondContact O-N 2.72Å; I806-G808 VanDerWaalsContact C-N 3.32Å; I806-G808 PolarHBondContact O-N 3.23Å; I806-C809 VanDerWaalsContact O-CB 3.31Å; I806-C809 WeakPolarHBondContact O-CB 3.34Å; I806-C809 PolarHBondContact O-N 2.92Å; I806-C809 VanDerWaalsContact O-N 3.13Å
807	A	98.3	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-35	-179.6	0	0	0	0	0	113.1	L519 K520 L522 L523 I803 H804 N805 C809	L519-A807 WeakPolarHBondContact O-CA 3.41Å; L519-A807 WeakPolarHBondContact O-CB 3.36Å; K520-A807 PolarHBondContact N-O 2.71Å; L522-A807 HydrophobicContact CB-CB 4.11Å; L523-A807 HydrophobicContact CD2-CB 3.72Å; L523-A807 HydrophobicContact CG-CB 3.84Å; I803-A807 VanDerWaalsContact O-CB 3.28Å; I803-A807 WeakPolarHBondContact O-CB 3.28Å; I803-A807 PolarHBondContact O-N 3.4Å; H804-A807 PolarHBondContact O-N 3.35Å; N805-A807 VanDerWaalsContact C-N 3.33Å; N805-A807 PolarHBondContact O-N 3.07Å; A807-C809 VanDerWaalsContact C-N 3.27Å; A807-C809 PolarHBondContact O-N 3.41Å
808	G	97.3	Very high	98.4	Very high	6 Å²	6	14 Å²	14	6%	0.062	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.2	175.6	0	0	0	0	0	114.7	E703 H804 N805 I806	E703-G808 VanDerWaalsContact CB-O 3.27Å; E703-G808 WeakPolarHBondContact CB-O 3.43Å; H804-G808 PolarHBondContact O-N 3.47Å; N805-G808 PolarHBondContact O-N 3.27Å; I806-G808 VanDerWaalsContact C-N 3.32Å; I806-G808 PolarHBondContact O-N 3.23Å
809	C	97	Very high	98.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.3	-171	-156.1	0	0	0	0	114.5	M683 L684 N805 I806 A807 K811 F812	M683-C809 HydrophobicContact CE-CB 4.39Å; M683-C809 HydrophobicContact CG-CB 4.15Å; M683-C809 HydrophobicContact SD-CB 4.19Å; L684-C809 HydrophobicContact CD1-CB 4.13Å; N805-C809 PolarHBondContact O-N 3.38Å; I806-C809 VanDerWaalsContact O-CB 3.31Å; I806-C809 WeakPolarHBondContact O-CB 3.34Å; I806-C809 PolarHBondContact O-N 2.92Å; I806-C809 VanDerWaalsContact O-N 3.13Å; A807-C809 VanDerWaalsContact C-N 3.27Å; A807-C809 PolarHBondContact O-N 3.41Å; C809-K811 VanDerWaalsContact C-N 3.31Å; C809-K811 PolarHBondContact O-N 2.73Å; C809-F812 PolarHBondContact O-N 2.74Å
810	G	97.3	Very high	98.3	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-50.1	-45.1	-173.1	0	0	0	0	0	114.9	L516 D517 F812 S813	L516-G810 VanDerWaalsContact O-CA 3.24Å; L516-G810 WeakPolarHBondContact O-CA 3.42Å; D517-G810 VanDerWaalsContact OD1-C 3.24Å; G810-F812 PolarHBondContact O-N 3.05Å; G810-S813 PolarHBondContact O-N 2.98Å; G810-S813 VanDerWaalsContact O-N 3.15Å
811	K	98.1	Very high	98.3	Very high	49 Å²	49	15 Å²	15	21%	0.213	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-54.6	-28.9	177.7	-179.5	176.1	179.6	-178.3	0	113.3	D517 E703 C809 S813 R816	D517-K811 PolarHBondContact OD1-N 3.34Å; E703-K811 VanDerWaalsContact CD-CD 3.43Å; E703-K811 HydrophobicContact CG-CB 4.16Å; E703-K811 HydrophobicContact CG-CD 3.61Å; E703-K811 WeakPolarHBondContact OE1-CD 3.39Å; E703-K811 IonicContact OE1-NZ 3.26Å; E703-K811 PolarHBondContact OE1-NZ 2.61Å; C809-K811 VanDerWaalsContact C-N 3.31Å; C809-K811 PolarHBondContact O-N 2.73Å; K811-S813 VanDerWaalsContact C-N 3.27Å; K811-S813 PolarHBondContact O-N 3.04Å; K811-R816 PolarHBondContact O-NE 3.2Å; K811-R816 PolarHBondContact O-NH2 3.24Å
812	F	98.4	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-87.2	11.7	-174.3	-53.5	-66.6	0	0	0	113.8	G486 I487 M680 M683 E699 M700 E703 C809 G810	G486-F812 CarbonylContact C-O 3.57Å; G486-F812 WeakPolarHBondContact CA-O 3.45Å; I487-F812 PolarHBondContact N-O 3.34Å; M680-F812 HydrophobicContact CB-CB 4.08Å; M680-F812 HydrophobicContact CE-CD1 3.79Å; M680-F812 HydrophobicContact CE-CE1 4.45Å; M680-F812 HydrophobicContact CG-CB 3.83Å; M680-F812 HydrophobicContact CG-CD1 4Å; M680-F812 HydrophobicContact CG-CG 3.93Å; M680-F812 HydrophobicContact SD-CB 3.95Å; M680-F812 HydrophobicContact SD-CD1 4.1Å; M680-F812 HydrophobicContact SD-CG 4.32Å; M683-F812 HydrophobicContact CE-CE2 4.19Å; M683-F812 HydrophobicContact SD-CD2 3.95Å; M683-F812 HydrophobicContact SD-CE2 3.8Å; E699-F812 HydrophobicContact CB-CE1 4.01Å; E699-F812 HydrophobicContact CB-CZ 4.14Å; M700-F812 HydrophobicContact CB-CE2 4.31Å; M700-F812 HydrophobicContact CB-CZ 4.14Å; M700-F812 HydrophobicContact CG-CD2 4.32Å; M700-F812 HydrophobicContact CG-CE1 4.05Å; M700-F812 HydrophobicContact CG-CE2 3.66Å; M700-F812 HydrophobicContact CG-CZ 3.51Å; E703-F812 HydrophobicContact CB-CE2 4.41Å; E703-F812 HydrophobicContact CG-CE2 4.22Å; E703-F812 HydrophobicContact CG-CZ 4.14Å; C809-F812 PolarHBondContact O-N 2.74Å; G810-F812 PolarHBondContact O-N 3.05Å
813	S	98.7	Very high	98.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-64	134.5	166.5	-179.8	0	0	0	0	111.4	I487 G810 K811 D815 R816 T817	I487-S813 WeakPolarHBondContact O-CA 3.28Å; G810-S813 PolarHBondContact O-N 2.98Å; G810-S813 VanDerWaalsContact O-N 3.15Å; K811-S813 VanDerWaalsContact C-N 3.27Å; K811-S813 PolarHBondContact O-N 3.04Å; S813-D815 PolarHBondContact O-N 2.85Å; S813-D815 PolarHBondContact OG-N 3.17Å; S813-D815 VanDerWaalsContact OG-N 3.12Å; S813-D815 PolarHBondContact OG-OD2 3.25Å; S813-R816 PolarHBondContact O-N 2.71Å; S813-T817 PolarHBondContact O-N 3.23Å
814	S	98.6	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-17.5	170.7	49.4	0	0	0	0	113.2	S147 I487 T488 R816 T817 I818	S147-S814 VanDerWaalsContact OG-CB 3.26Å; S147-S814 WeakPolarHBondContact OG-CB 3.25Å; S147-S814 PolarHBondContact OG-OG 3.35Å; I487-S814 PolarHBondContact O-N 3.34Å; I487-S814 PolarHBondContact O-OG 3.4Å; T488-S814 WeakPolarHBondContact CA-OG 3.5Å; T488-S814 PolarHBondContact N-OG 3.44Å; T488-S814 VanDerWaalsContact N-OG 3.12Å; S814-R816 VanDerWaalsContact C-N 3.35Å; S814-T817 PolarHBondContact O-N 2.74Å; S814-I818 WeakPolarHBondContact O-CB 3.47Å; S814-I818 WeakPolarHBondContact O-CG1 3.16Å; S814-I818 PolarHBondContact O-N 2.85Å
815	D	98.4	Very high	98.3	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.064	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-39.4	173.8	-56	-30.2	0	0	0	111.3	S147 L151 R490 S813 I818 S819	S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.23Å; S147-D815 PolarHBondContact OG-OD1 2.95Å; L151-D815 HydrophobicContact CD1-CB 4.18Å; L151-D815 WeakPolarHBondContact CD1-O 3.34Å; L151-D815 HydrophobicContact CD2-CB 4.41Å; L151-D815 HydrophobicContact CG-CB 4.47Å; R490-D815 IonicContact CZ-OD1 2.73Å; R490-D815 IonicContact CZ-OD2 3.26Å; R490-D815 VanDerWaalsContact NH1-CG 3.26Å; R490-D815 IonicContact NH1-OD1 2.69Å; R490-D815 PolarHBondContact NH1-OD1 3.34Å; R490-D815 VanDerWaalsContact NH1-OD1 3.13Å; R490-D815 IonicContact NH1-OD2 2.73Å; R490-D815 PolarHBondContact NH1-OD2 3.41Å; R490-D815 IonicContact NH2-OD1 2.6Å; R490-D815 PolarHBondContact NH2-OD1 2.8Å; R490-D815 IonicContact NH2-OD2 2.94Å; S813-D815 PolarHBondContact O-N 2.85Å; S813-D815 PolarHBondContact OG-N 3.17Å; S813-D815 VanDerWaalsContact OG-N 3.12Å; S813-D815 PolarHBondContact OG-OD2 3.25Å; D815-I818 PolarHBondContact O-N 2.83Å; D815-S819 VanDerWaalsContact O-CB 3.29Å; D815-S819 WeakPolarHBondContact O-CB 3.14Å; D815-S819 PolarHBondContact O-N 2.89Å; D815-S819 PolarHBondContact O-OG 3.3Å
816	R	98.4	Very high	98.3	Very high	46 Å²	46	21.6 Å²	21.6	17%	0.174	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-46.2	174	-179.6	-80.8	-51.8	141.6	9.2	110	T484 N485 K811 S813 S814 S819 Q820	T484-R816 PolarHBondContact O-NH1 2.85Å; T484-R816 PolarHBondContact O-NH2 2.53Å; N485-R816 PolarHBondContact O-NH2 3.38Å; K811-R816 PolarHBondContact O-NE 3.2Å; K811-R816 PolarHBondContact O-NH2 3.24Å; S813-R816 PolarHBondContact O-N 2.71Å; S814-R816 VanDerWaalsContact C-N 3.35Å; R816-S819 PolarHBondContact O-N 2.99Å; R816-Q820 WeakPolarHBondContact O-CG 3.5Å; R816-Q820 PolarHBondContact O-N 3.28Å; R816-Q820 VanDerWaalsContact O-N 3.1Å
817	T	98.5	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-55.4	-54.4	174.7	-53.5	0	0	0	0	111.1	F144 T484 G486 S813 S814 S819 Q820 Y821	F144-T817 HydrophobicContact CE1-CG2 3.67Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; T484-T817 WeakPolarHBondContact O-CG2 3.43Å; T484-T817 PolarHBondContact O-OG1 3.04Å; G486-T817 PolarHBondContact N-OG1 2.87Å; S813-T817 PolarHBondContact O-N 3.23Å; S814-T817 PolarHBondContact O-N 2.74Å; T817-S819 VanDerWaalsContact C-N 3.32Å; T817-S819 PolarHBondContact O-N 3.05Å; T817-Q820 WeakPolarHBondContact O-CB 3.39Å; T817-Q820 PolarHBondContact O-N 3.34Å; T817-Q820 VanDerWaalsContact O-N 3.12Å; T817-Y821 HydrophobicContact CG2-CD2 3.79Å; T817-Y821 HydrophobicContact CG2-CE2 3.54Å; T817-Y821 VanDerWaalsContact O-CD2 3.3Å; T817-Y821 WeakPolarHBondContact O-CD2 3.48Å; T817-Y821 PolarHBondContact O-N 3.01Å
818	I	98.6	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-35.5	-178.1	-72.2	-55.8	0	0	0	112.4	F144 M148 L151 L153 S814 D815 Q820 Y821 A822 W826	F144-I818 HydrophobicContact CB-CD1 3.82Å; F144-I818 HydrophobicContact CB-CG1 4.36Å; F144-I818 HydrophobicContact CD1-CD1 3.84Å; F144-I818 HydrophobicContact CD1-CG1 4.05Å; F144-I818 HydrophobicContact CD2-CD1 3.87Å; F144-I818 HydrophobicContact CE1-CD1 4.34Å; F144-I818 HydrophobicContact CE2-CD1 4.37Å; F144-I818 HydrophobicContact CG-CD1 3.58Å; F144-I818 HydrophobicContact CG-CG1 4.21Å; M148-I818 HydrophobicContact CG-CD1 4.02Å; M148-I818 HydrophobicContact CG-CG1 4.19Å; M148-I818 HydrophobicContact CG-CG2 3.68Å; M148-I818 HydrophobicContact SD-CD1 4.47Å; L151-I818 HydrophobicContact CD1-CB 3.98Å; L151-I818 HydrophobicContact CD1-CG2 3.65Å; L153-I818 HydrophobicContact CD1-CG2 3.47Å; L153-I818 VanDerWaalsContact CD1-CG2 3.47Å; S814-I818 WeakPolarHBondContact O-CB 3.47Å; S814-I818 WeakPolarHBondContact O-CG1 3.16Å; S814-I818 PolarHBondContact O-N 2.85Å; D815-I818 PolarHBondContact O-N 2.83Å; I818-Q820 VanDerWaalsContact C-N 3.3Å; I818-Q820 PolarHBondContact O-N 3.32Å; I818-Y821 PolarHBondContact O-N 3.4Å; I818-A822 VanDerWaalsContact O-CB 3.29Å; I818-A822 WeakPolarHBondContact O-CB 3.34Å; I818-A822 PolarHBondContact O-N 2.94Å; I818-W826 HydrophobicContact CD1-CH2 3.96Å; I818-W826 HydrophobicContact CD1-CZ3 4.39Å; I818-W826 HydrophobicContact CG2-CZ3 4.41Å
819	S	98.4	Very high	98	Very high	18 Å²	18	31.4 Å²	31.4	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-39	174.3	-62.1	0	0	0	0	112	D815 R816 T817 A822 R823	D815-S819 VanDerWaalsContact O-CB 3.29Å; D815-S819 WeakPolarHBondContact O-CB 3.14Å; D815-S819 PolarHBondContact O-N 2.89Å; D815-S819 PolarHBondContact O-OG 3.3Å; R816-S819 PolarHBondContact O-N 2.99Å; T817-S819 VanDerWaalsContact C-N 3.32Å; T817-S819 PolarHBondContact O-N 3.05Å; S819-A822 PolarHBondContact O-N 2.91Å; S819-R823 WeakPolarHBondContact O-CG 3.32Å; S819-R823 PolarHBondContact O-N 3.01Å; S819-R823 VanDerWaalsContact O-N 3.1Å
820	Q	98.6	Very high	97.8	Very high	59 Å²	59	32.5 Å²	32.5	28%	0.276	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-44.4	174.3	-67.6	173.7	-47.5	0	0	111.7	K483 R816 T817 I818 A822 E824	K483-Q820 HydrophobicContact CD-CB 3.53Å; K483-Q820 WeakPolarHBondContact CE-O 3.26Å; R816-Q820 WeakPolarHBondContact O-CG 3.5Å; R816-Q820 PolarHBondContact O-N 3.28Å; R816-Q820 VanDerWaalsContact O-N 3.1Å; T817-Q820 WeakPolarHBondContact O-CB 3.39Å; T817-Q820 PolarHBondContact O-N 3.34Å; T817-Q820 VanDerWaalsContact O-N 3.12Å; I818-Q820 VanDerWaalsContact C-N 3.3Å; I818-Q820 PolarHBondContact O-N 3.32Å; Q820-A822 VanDerWaalsContact C-N 3.32Å; Q820-A822 PolarHBondContact O-N 3.1Å; Q820-E824 VanDerWaalsContact O-CB 3.27Å; Q820-E824 WeakPolarHBondContact O-CB 3.41Å; Q820-E824 PolarHBondContact O-N 2.74Å
821	Y	98.8	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-45.4	173.7	-85.2	-89.8	0	0	0	111.4	F144 T376 N454 K483 T817 I818 R823 I825 W826	F144-Y821 HydrophobicContact CE2-CE2 4.15Å; F144-Y821 HydrophobicContact CZ-CE2 4.08Å; T376-Y821 PolarHBondContact OG1-OH 3.46Å; N454-Y821 PolarHBondContact ND2-OH 2.89Å; K483-Y821 HydrophobicContact CB-CD2 3.98Å; K483-Y821 HydrophobicContact CB-CE1 4.39Å; K483-Y821 HydrophobicContact CB-CE2 3.32Å; K483-Y821 HydrophobicContact CD-CD2 4.05Å; K483-Y821 HydrophobicContact CD-CE2 4.26Å; K483-Y821 HydrophobicContact CD-CG 4.32Å; K483-Y821 HydrophobicContact CG-CD1 4.34Å; K483-Y821 HydrophobicContact CG-CD2 3.94Å; K483-Y821 HydrophobicContact CG-CE1 4.08Å; K483-Y821 HydrophobicContact CG-CE2 3.67Å; K483-Y821 HydrophobicContact CG-CG 4.26Å; T817-Y821 HydrophobicContact CG2-CD2 3.79Å; T817-Y821 HydrophobicContact CG2-CE2 3.54Å; T817-Y821 VanDerWaalsContact O-CD2 3.3Å; T817-Y821 WeakPolarHBondContact O-CD2 3.48Å; T817-Y821 PolarHBondContact O-N 3.01Å; I818-Y821 PolarHBondContact O-N 3.4Å; Y821-R823 PolarHBondContact O-N 2.93Å; Y821-I825 HydrophobicContact CD1-CD1 3.66Å; Y821-I825 HydrophobicContact CE1-CD1 3.92Å; Y821-I825 HydrophobicContact CG-CD1 4.45Å; Y821-I825 WeakPolarHBondContact O-CA 3.45Å; Y821-I825 WeakPolarHBondContact O-CB 3.42Å; Y821-I825 PolarHBondContact O-N 3.42Å; Y821-W826 HydrophobicContact CD1-CH2 4.39Å; Y821-W826 AromaticContact CD1-CZ2 3.77Å; Y821-W826 HydrophobicContact CD1-CZ2 3.77Å; Y821-W826 HydrophobicContact CG-CH2 4.16Å; Y821-W826 AromaticContact CG-CZ2 3.99Å; Y821-W826 HydrophobicContact CG-CZ2 3.99Å; Y821-W826 PolarHBondContact O-N 2.93Å
822	A	98.4	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-58.7	-51	-179	0	0	0	0	0	111.5	L153 I818 S819 Q820 W826 G827 M828 P830	L153-A822 HydrophobicContact CD1-CB 4.02Å; L153-A822 HydrophobicContact CD2-CB 4.32Å; I818-A822 VanDerWaalsContact O-CB 3.29Å; I818-A822 WeakPolarHBondContact O-CB 3.34Å; I818-A822 PolarHBondContact O-N 2.94Å; S819-A822 PolarHBondContact O-N 2.91Å; Q820-A822 VanDerWaalsContact C-N 3.32Å; Q820-A822 PolarHBondContact O-N 3.1Å; A822-W826 HydrophobicContact CB-CE3 4.2Å; A822-W826 CarbonylContact O-C 3.54Å; A822-W826 PolarHBondContact O-N 2.79Å; A822-G827 PolarHBondContact O-N 3.03Å; A822-M828 CarbonylContact C-O 3.51Å; A822-M828 HydrophobicContact CB-CB 4.3Å; A822-M828 WeakPolarHBondContact CB-O 3.47Å; A822-M828 PolarHBondContact O-N 3.4Å; A822-P830 HydrophobicContact CB-CG 4.16Å
823	R	98.5	Very high	96.3	Very high	135 Å²	135	44.5 Å²	44.5	51%	0.509	23%	0.229	S	C	.	.	I	π-helix	trans	-76.1	-44.5	-175.9	-66.1	-178.5	-175.5	127.7	3.1	113.6	S819 Y821 M828 E829	S819-R823 WeakPolarHBondContact O-CG 3.32Å; S819-R823 PolarHBondContact O-N 3.01Å; S819-R823 VanDerWaalsContact O-N 3.1Å; Y821-R823 PolarHBondContact O-N 2.93Å; R823-M828 PolarHBondContact N-O 3.03Å; R823-E829 IonicContact CZ-OE2 3.43Å; R823-E829 IonicContact NE-OE1 2.71Å; R823-E829 IonicContact NE-OE2 2.69Å; R823-E829 PolarHBondContact NE-OE2 3.05Å; R823-E829 IonicContact NH2-OE2 3.86Å
824	E	98.4	Very high	95.7	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	26%	0.256	S	S	.	.	I	π-helix	trans	-94.9	-15.3	-166.8	-58	167.5	-146.8	0	0	113.8	Q481 K483 Q820	Q481-E824 PolarHBondContact NE2-O 2.7Å; K483-E824 WeakPolarHBondContact CE-OE2 3.46Å; K483-E824 IonicContact NZ-OE2 3.35Å; K483-E824 PolarHBondContact NZ-OE2 2.79Å; Q820-E824 VanDerWaalsContact O-CB 3.27Å; Q820-E824 WeakPolarHBondContact O-CB 3.41Å; Q820-E824 PolarHBondContact O-N 2.74Å
825	I	98.5	Very high	95	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.062	26%	0.264	C	S	.	.	I	π-helix	trans	-123.1	-54.3	-179.4	-59	177.2	0	0	0	110.4	A374 H451 A452 K483 Y821	A374-I825 HydrophobicContact CB-CG2 3.49Å; A374-I825 VanDerWaalsContact CB-CG2 3.49Å; H451-I825 PolarHBondContact NE2-O 2.74Å; A452-I825 HydrophobicContact CB-CG1 4.27Å; A452-I825 HydrophobicContact CB-CG2 4.01Å; K483-I825 HydrophobicContact CG-CD1 4.09Å; Y821-I825 HydrophobicContact CD1-CD1 3.66Å; Y821-I825 HydrophobicContact CE1-CD1 3.92Å; Y821-I825 HydrophobicContact CG-CD1 4.45Å; Y821-I825 WeakPolarHBondContact O-CA 3.45Å; Y821-I825 WeakPolarHBondContact O-CB 3.42Å; Y821-I825 PolarHBondContact O-N 3.42Å
826	W	98.4	Very high	94.1	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.011	28%	0.283	C	S	.	.	I	π-helix	trans	-84.4	-17.3	-171.5	-53.9	-30.8	0	0	0	114.1	K81 V83 M148 L153 A335 Q337 I818 Y821 A822 M828	K81-W826 WeakPolarHBondContact CD-O 3.47Å; K81-W826 WeakPolarHBondContact CE-O 3.33Å; K81-W826 PolarHBondContact NZ-O 3.07Å; V83-W826 HydrophobicContact CB-CD2 4.44Å; V83-W826 HydrophobicContact CB-CE3 4.35Å; V83-W826 HydrophobicContact CG1-CD2 3.94Å; V83-W826 HydrophobicContact CG1-CE3 4Å; V83-W826 HydrophobicContact CG1-CH2 4.02Å; V83-W826 HydrophobicContact CG1-CZ2 3.95Å; V83-W826 HydrophobicContact CG1-CZ3 4.05Å; V83-W826 HydrophobicContact CG2-CB 3.88Å; V83-W826 HydrophobicContact CG2-CD2 3.59Å; V83-W826 HydrophobicContact CG2-CE3 3.59Å; V83-W826 HydrophobicContact CG2-CG 3.71Å; V83-W826 HydrophobicContact CG2-CZ3 4.35Å; M148-W826 HydrophobicContact SD-CH2 4Å; M148-W826 HydrophobicContact SD-CZ3 4.09Å; L153-W826 HydrophobicContact CD1-CZ3 4.46Å; A335-W826 HydrophobicContact CB-CB 4.18Å; A335-W826 HydrophobicContact CB-CG 4.19Å; Q337-W826 HydrophobicContact CB-CZ2 4.21Å; Q337-W826 HydrophobicContact CG-CZ2 4.22Å; I818-W826 HydrophobicContact CD1-CH2 3.96Å; I818-W826 HydrophobicContact CD1-CZ3 4.39Å; I818-W826 HydrophobicContact CG2-CZ3 4.41Å; Y821-W826 HydrophobicContact CD1-CH2 4.39Å; Y821-W826 AromaticContact CD1-CZ2 3.77Å; Y821-W826 HydrophobicContact CD1-CZ2 3.77Å; Y821-W826 HydrophobicContact CG-CH2 4.16Å; Y821-W826 AromaticContact CG-CZ2 3.99Å; Y821-W826 HydrophobicContact CG-CZ2 3.99Å; Y821-W826 PolarHBondContact O-N 2.93Å; A822-W826 HydrophobicContact CB-CE3 4.2Å; A822-W826 CarbonylContact O-C 3.54Å; A822-W826 PolarHBondContact O-N 2.79Å; W826-M828 HydrophobicContact CB-CG 4.27Å; W826-M828 HydrophobicContact CB-SD 4.39Å
827	G	97.1	Very high	92.9	Very high	61 Å²	61	52.8 Å²	52.8	63%	0.629	28%	0.279	S	S	*	.			trans	66.2	47.3	-175.9	0	0	0	0	0	112.2	A822	A822-G827 PolarHBondContact O-N 3.03Å
828	M	94.9	Very high	91.3	Very high	22 Å²	22	54.8 Å²	54.8	11%	0.108	29%	0.292	C	S	.	.			trans	-131.1	145.6	-179.4	-64.4	-177.4	67.4	0	0	110.8	K81 V83 L153 A822 R823 W826	K81-M828 HydrophobicContact CB-CG 4.28Å; K81-M828 HydrophobicContact CB-SD 4.38Å; K81-M828 HydrophobicContact CD-CG 4.3Å; K81-M828 HydrophobicContact CG-CG 4.4Å; K81-M828 HydrophobicContact CG-SD 4.37Å; K81-M828 WeakPolarHBondContact O-CE 3.45Å; V83-M828 HydrophobicContact CB-SD 4.5Å; V83-M828 HydrophobicContact CG2-SD 3.34Å; V83-M828 WeakPolarHBondContact CG2-SD 3.46Å; L153-M828 HydrophobicContact CD2-CB 4.33Å; L153-M828 HydrophobicContact CD2-CE 4.14Å; A822-M828 CarbonylContact C-O 3.51Å; A822-M828 HydrophobicContact CB-CB 4.3Å; A822-M828 WeakPolarHBondContact CB-O 3.47Å; A822-M828 PolarHBondContact O-N 3.4Å; R823-M828 PolarHBondContact N-O 3.03Å; W826-M828 HydrophobicContact CB-CG 4.27Å; W826-M828 HydrophobicContact CB-SD 4.39Å
829	E	95.1	Very high	89.7	Confident	133 Å²	133	61.1 Å²	61.1	62%	0.621	33%	0.326	S	S	*	.			trans	-98.9	126.1	172.8	-73.6	-57.2	150.3	0	0	111.4	R823	R823-E829 IonicContact CZ-OE2 3.43Å; R823-E829 IonicContact NE-OE1 2.71Å; R823-E829 IonicContact NE-OE2 2.69Å; R823-E829 PolarHBondContact NE-OE2 3.05Å; R823-E829 IonicContact NH2-OE2 3.86Å
830	P	94.3	Very high	87.9	Confident	25 Å²	25	64.2 Å²	64.2	16%	0.162	34%	0.342	C	S	.	.			trans	-59.3	146.1	168.5	-24.2	35.1	0	0	0	112.4	L151 A822	L151-P830 HydrophobicContact CB-CB 4.18Å; L151-P830 HydrophobicContact CD2-CB 4.19Å; A822-P830 HydrophobicContact CB-CG 4.16Å
831	S	90.3	Very high	85.5	Confident	41 Å²	41	67.5 Å²	67.5	29%	0.287	37%	0.368	S	S	.	.			trans	-131.2	135.4	174.3	-178.8	0	0	0	0	111.5	L151 E833	L151-S831 CarbonylContact C-O 3.54Å; L151-S831 PolarHBondContact O-N 3.29Å; S831-E833 WeakPolarHBondContact OG-CB 3.27Å; S831-E833 WeakPolarHBondContact OG-CG 3.33Å; S831-E833 PolarHBondContact OG-N 3Å; S831-E833 VanDerWaalsContact OG-N 3.14Å
832	L	85.8	Confident	83.1	Confident	106 Å²	106	81.7 Å²	81.7	56%	0.555	42%	0.421	S	S	*	.			trans	-97.1	5.4	171.9	-61.2	179.2	0	0	0	112.1	L151 K834	L151-L832 HydrophobicContact CD2-CD2 4.05Å; L832-K834 PolarHBondContact O-N 3.22Å
833	E	85.6	Confident	82.3	Confident	155 Å²	155	85.8 Å²	85.8	72%	0.724	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-62.7	135.7	177.7	-68	-176.5	171.3	0	0	110.7	S831	S831-E833 WeakPolarHBondContact OG-CB 3.27Å; S831-E833 WeakPolarHBondContact OG-CG 3.33Å; S831-E833 PolarHBondContact OG-N 3Å; S831-E833 VanDerWaalsContact OG-N 3.14Å
834	K	85.8	Confident	81.5	Confident	138 Å²	138	83.2 Å²	83.2	60%	0.6	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-82.6	133	175	-59.9	-173.1	179.1	175.6	0	108.9	R235 L832	R235-K834 WeakPolarHBondContact O-CE 3.2Å; L832-K834 PolarHBondContact O-N 3.22Å
835	I	84.7	Confident	80.5	Confident	31 Å²	31	82.3 Å²	82.3	16%	0.159	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-76.6	145.5	163.6	-57.3	-174.8	0	0	0	107.6	H74 N236 N237 I238 A837	H74-I835 HydrophobicContact CB-CD1 4.44Å; N236-I835 PolarHBondContact O-N 3.19Å; N236-I835 VanDerWaalsContact O-N 3.16Å; N237-I835 VanDerWaalsContact CB-O 3.29Å; N237-I835 WeakPolarHBondContact CB-O 3.01Å; N237-I835 PolarHBondContact ND2-O 2.75Å; I238-I835 HydrophobicContact CD1-CD1 4.1Å; I238-I835 HydrophobicContact CD1-CG1 4.15Å; I238-I835 HydrophobicContact CG1-CD1 3.69Å; I238-I835 HydrophobicContact CG1-CG1 3.82Å; I835-A837 PolarHBondContact O-N 3.33Å
836	A	79.9	Confident	79.5	Confident	56 Å²	56	86.4 Å²	86.4	46%	0.463	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-51.9	138.8	176.6	0	0	0	0	0	111.5	R70 D840	R70-A836 PolarHBondContact NH1-O 3.03Å; R70-A836 PolarHBondContact NH2-O 2.91Å; A836-D840 HydrophobicContact CB-CB 4.4Å
837	A	72.3	Confident	78.3	Confident	12 Å²	12	91.6 Å²	91.6	10%	0.099	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-70.7	157.4	173.9	0	0	0	0	0	111	R70 I835 D839 D840	R70-A837 PolarHBondContact NH1-O 3.33Å; I835-A837 PolarHBondContact O-N 3.33Å; A837-D839 PolarHBondContact O-N 3.46Å; A837-D839 VanDerWaalsContact O-N 3.16Å; A837-D840 PolarHBondContact N-OD2 2.97Å; A837-D840 PolarHBondContact O-N 3.19Å; A837-D840 VanDerWaalsContact O-N 3.15Å
838	P	64	Low	77	Confident	43 Å²	43	93.7 Å²	93.7	28%	0.279	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.9	-175.3	-22.3	33.3	0	0	0	113	R67 R70	R67-P838 HydrophobicContact CG-CG 3.81Å; R70-P838 VanDerWaalsContact NH2-CG 3.27Å
839	D	66.9	Low	75.8	Confident	133 Å²	133	98.8 Å²	98.8	71%	0.711	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.5	-172.8	-42.5	-51.4	0	0	0	111.8	A837	A837-D839 PolarHBondContact O-N 3.46Å; A837-D839 VanDerWaalsContact O-N 3.16Å
840	D	59.9	Low	74.3	Confident	83 Å²	83	96.2 Å²	96.2	44%	0.444	50%	0.495	S	S	.	.	S	Bend	trans	-70.9	130.1	173	-69.9	-19	0	0	0	109	A836 A837 R842	A836-D840 HydrophobicContact CB-CB 4.4Å; A837-D840 PolarHBondContact N-OD2 2.97Å; A837-D840 PolarHBondContact O-N 3.19Å; A837-D840 VanDerWaalsContact O-N 3.15Å; D840-R842 PolarHBondContact O-N 3.24Å
841	P	47.8	Very low	72.6	Confident	127 Å²	127	102.1 Å²	102.1	83%	0.825	52%	0.523	S	S	*	.			trans	-59.6	131.1	174.7	22.2	-28.9	0	0	0	109.6
842	R	48.3	Very low	71	Confident	300 Å²	300	107.6 Å²	107.6	100%	1.132	55%	0.545	S	S	*	.			trans	-68.8	0	179.2	-77.4	-171.3	-173.3	176.8	2.3	113	D840	D840-R842 PolarHBondContact O-N 3.24Å

Retrieved 842 of 842 residues in 6635.7 ms (Link to these results)

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