A0A3B3VBE3_9TELE Loading...

Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB , UniProt , Accession A0A3B3VBE3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 1,119 aa.

						>A0A3B3VBE3_9TELE|A0A3B3VBE3
MGSRGHYRYHWQSHNVKHSGVDDMVLLSKISEDGIVDNLKKRYMDDYIFTYIGPVLISVNPFKQMPYFGEREIEMYQGAAQYENPPHIYALADNMYRNMMIDRENQCVIISGESGAGKTVAAKYIMGYISKVSGGGPRVQHVKDIILQSNPLLEAFGNAKTLRNNNSSRFGKYFEIQFSSGGEPDGGKISNFLLEKSRVVTRNPGERSFHIFYQLIEGASGEQKKSLGITSLDYYSYLNQSGSYKVDDINDKSEFLETVQAMDVIGISADDRSMVLQIVAGVLHVGNITFRESGNYAAVESEEFLAFPAFLLGIDQDRLKEKLTSRKMDSKWGNTKESIDVTLNVEQACYTRDALSKALHSRVFDYLVESINRAMVKDHQELNIGVLDIYGFEIFQKNGFEQFCINFVNEKLQQIFIELTLKAEQEEYVQEGIKWTPIDYFNNKIVCDLIESKSPPGIMCILDDVCATMHAVGEGADQTMLQKLRMQINTHEHFNSWNQGFIIHHYAGKVSYDADGFCERNRDVLFTDLIELMQSSEISFIRALFPENLNAEKKGRPTTAGSKIKKQANDLVSTLMKCTPHYIRCIKPNETKKPKDWEESRVKHQVEYLGLKENIRVRRAGYAYRRVFRKFLNRYAILTKESWPTWRGDEKQGVLHLLRSVNMDQDQFQLGKTKIFIKAPESLFLLEETRERKFDGYARTIQKAWRKYMARKKYVQMREEASDLLLNRKDRRRHSLNRNFIGDYLGMDDRPELRQFLAKREKIDFADKVTKYDRRFKGIKRDLILTPKSVYLIGREKVKQGPEKGQVTEVLKRKIDVEKILALSLSTLQDDFIILHEQEYDSLLECIFKTEFISLLARRFEEKTQRKLPLKFNNTLEMKLKKENWGFMSGGGSRQVLFVQGQGDVAVLKPSSKSLQVSIGPGLPKNTRPTRKGFSQSRSNMSRNHHVPSRAAPGPPAGHQNGGLKNTNHIANQRNSQHHSQRHPPSANSTRPFLPSNINQSRQRDGGSRQQPDLDCLRVPDQGAAGSGGGRPTSNGGMAHRPSAHRPPPGGGRPKPAPKPKPQVPQCKALYAYDAQDTDELSFNTDDVIDIIKEDASGWWTGRLRGKQGLFPNNYVTKI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	34.3	Very low	256 Å²	256	162 Å²	162	100%	1.261	78%	0.778	S	S	*	*				0	155.8	0	-73.3	-179.8	172.2	0	0	109.3
2	G	29.5	Very low	34.8	Very low	74 Å²	74	154.5 Å²	154.5	76%	0.763	74%	0.741	S	S	*	*			trans	114.5	73.1	172.6	0	0	0	0	0	114.9	R4	G2-R4 PolarHBondContact O-N 2.63Å
3	S	30.1	Very low	35.2	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.6	127.1	169.9	178.6	0	0	0	0	110.4
4	R	34.4	Very low	35.3	Very low	238 Å²	238	148.5 Å²	148.5	90%	0.898	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-90.3	117.3	162.4	-72.5	-176.2	175.1	-179.7	-0.6	107.4	G2	G2-R4 PolarHBondContact O-N 2.63Å
5	G	32.3	Very low	35.3	Very low	53 Å²	53	150.5 Å²	150.5	55%	0.546	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-61.7	136.4	-172.1	0	0	0	0	0	113.3	Y7	G5-Y7 PolarHBondContact O-N 3.44Å
6	H	31.7	Very low	35.8	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.875	73%	0.727	S	S	*	*			trans	-66.1	111.7	168.3	-70.1	-101.1	0	0	0	109.4	R8	H6-R8 PolarHBondContact O-N 3.47Å
7	Y	34.5	Very low	36.3	Very low	220 Å²	220	146.8 Å²	146.8	86%	0.863	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-69.8	119.3	168.8	-68.6	-90.5	0	0	0	108.7	G5	G5-Y7 PolarHBondContact O-N 3.44Å
8	R	32	Very low	37.4	Very low	208 Å²	208	145.3 Å²	145.3	79%	0.785	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70	137.8	172.1	-74.8	-179.3	173.6	165.8	-3	109.8	H6 Q12	H6-R8 PolarHBondContact O-N 3.47Å; R8-Q12 HydrophobicContact CB-CB 4.42Å
9	Y	41.9	Very low	39.3	Very low	149 Å²	149	138.1 Å²	138.1	58%	0.584	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-70.6	155.6	-179.7	-58.4	-89.3	0	0	0	111.3	W11 Q12 S13	Y9-W11 VanDerWaalsContact C-N 3.26Å; Y9-W11 PolarHBondContact O-N 3.3Å; Y9-Q12 WeakPolarHBondContact O-CA 3.07Å; Y9-Q12 WeakPolarHBondContact O-CB 3.2Å; Y9-Q12 PolarHBondContact O-N 3.26Å; Y9-S13 PolarHBondContact O-N 2.85Å
10	H	35.5	Very low	41.4	Very low	132 Å²	132	132.1 Å²	132.1	61%	0.611	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-61.6	-31.5	-174.3	-164.2	-99.6	0	0	0	113.6	Q12 S13	H10-Q12 VanDerWaalsContact C-N 3.28Å; H10-Q12 PolarHBondContact O-N 3.39Å; H10-S13 WeakPolarHBondContact CA-OG 3.33Å; H10-S13 PolarHBondContact O-N 2.75Å; H10-S13 PolarHBondContact O-OG 2.87Å
11	W	44.3	Very low	43.3	Very low	147 Å²	147	127.3 Å²	127.3	56%	0.557	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-73.9	-15.1	173.1	61.9	-97.9	0	0	0	113.8	Y9 H18	Y9-W11 VanDerWaalsContact C-N 3.26Å; Y9-W11 PolarHBondContact O-N 3.3Å; W11-H18 AromaticContact CH2-CE1 3.91Å; W11-H18 AromaticContact CZ3-CE1 3.81Å; W11-H18 AromaticContact CZ3-ND1 3.99Å
12	Q	40.5	Very low	45.9	Very low	72 Å²	72	117.8 Å²	117.8	34%	0.336	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-89	-11.3	171.7	-60.9	178.8	-14.9	0	0	112.5	R8 Y9 H10 H14	R8-Q12 HydrophobicContact CB-CB 4.42Å; Y9-Q12 WeakPolarHBondContact O-CA 3.07Å; Y9-Q12 WeakPolarHBondContact O-CB 3.2Å; Y9-Q12 PolarHBondContact O-N 3.26Å; H10-Q12 VanDerWaalsContact C-N 3.28Å; H10-Q12 PolarHBondContact O-N 3.39Å; Q12-H14 PolarHBondContact O-N 2.61Å
13	S	40.4	Very low	48.6	Very low	55 Å²	55	115.9 Å²	115.9	39%	0.385	56%	0.556	S	S	.	*	S	Bend	trans	-97.1	70.5	-179	54.2	0	0	0	0	112.8	Y9 H10	Y9-S13 PolarHBondContact O-N 2.85Å; H10-S13 WeakPolarHBondContact CA-OG 3.33Å; H10-S13 PolarHBondContact O-N 2.75Å; H10-S13 PolarHBondContact O-OG 2.87Å
14	H	35.6	Very low	51.3	Low	170 Å²	170	110.4 Å²	110.4	79%	0.787	52%	0.517	S	S	*	.	S	Bend	trans	-174.2	77.8	145.5	-88.4	-45.4	0	0	0	112.3	Q12 V16	Q12-H14 PolarHBondContact O-N 2.61Å; H14-V16 PolarHBondContact O-N 3.48Å
15	N	35.6	Very low	53.5	Low	179 Å²	179	99.6 Å²	99.6	96%	0.957	48%	0.478	S	S	*	.			trans	51.3	17.8	165.8	-73.1	7.4	0	0	0	118.8
16	V	44.2	Very low	55.5	Low	100 Å²	100	99.6 Å²	99.6	61%	0.606	47%	0.465	S	S	*	.			trans	-75.2	131.1	172.7	-172.6	0	0	0	0	109.9	H14 H18	H14-V16 PolarHBondContact O-N 3.48Å; V16-H18 PolarHBondContact O-N 3.2Å
17	K	43.7	Very low	57.6	Low	137 Å²	137	91.5 Å²	91.5	60%	0.596	43%	0.428	S	S	*	.			trans	-71	109.9	172.6	-170.3	-175.1	-177.8	-170.6	0	108.3	S19 D45	K17-S19 PolarHBondContact O-N 2.96Å; K17-D45 WeakPolarHBondContact CE-OD1 3.46Å; K17-D45 IonicContact NZ-OD1 3.79Å; K17-D45 PolarHBondContact NZ-OD1 3.01Å; K17-D45 IonicContact NZ-OD2 3.33Å
18	H	56.3	Low	59.2	Low	120 Å²	120	86.6 Å²	86.6	56%	0.556	43%	0.426	S	S	*	.			trans	-73.6	91.8	-173.2	-171.3	56.5	0	0	0	111.3	W11 V16 G20	W11-H18 AromaticContact CH2-CE1 3.91Å; W11-H18 AromaticContact CZ3-CE1 3.81Å; W11-H18 AromaticContact CZ3-ND1 3.99Å; V16-H18 PolarHBondContact O-N 3.2Å; H18-G20 PolarHBondContact CE1-O 2.82Å
19	S	72.6	Confident	61.2	Low	8 Å²	8	84.9 Å²	84.9	6%	0.056	42%	0.424	C	S	.	.			trans	-102.8	104.4	-178.7	-156.1	0	0	0	0	110.9	K17 K41 R42 D45	K17-S19 PolarHBondContact O-N 2.96Å; S19-K41 VanDerWaalsContact OG-C 3.3Å; S19-K41 PolarHBondContact OG-O 2.9Å; S19-K41 VanDerWaalsContact OG-O 3.08Å; S19-R42 WeakPolarHBondContact O-CG 3.24Å; S19-R42 PolarHBondContact O-NH1 3.08Å; S19-D45 WeakPolarHBondContact CB-OD2 3.5Å; S19-D45 WeakPolarHBondContact OG-CB 3.18Å; S19-D45 PolarHBondContact OG-OD2 3.48Å
20	G	81.6	Confident	63	Low	18 Å²	18	80.7 Å²	80.7	19%	0.186	41%	0.412	C	S	.	.	S	Bend	trans	60.9	-161.3	-178.8	0	0	0	0	0	114.3	H18 N38	H18-G20 PolarHBondContact CE1-O 2.82Å; G20-N38 WeakPolarHBondContact CA-OD1 3.21Å
21	V	81.8	Confident	65.5	Low	33 Å²	33	76.4 Å²	76.4	20%	0.2	40%	0.396	C	S	.	.			trans	-103.3	140.1	169.5	-63.6	0	0	0	0	110.8	D23 M24 L26 L27 N38 R42	V21-D23 WeakPolarHBondContact CG2-O 3.23Å; V21-M24 HydrophobicContact CG2-CG 4.31Å; V21-L26 HydrophobicContact CB-CB 4.3Å; V21-L26 HydrophobicContact CG1-CB 4.24Å; V21-L27 HydrophobicContact CG2-CD2 3.61Å; V21-L27 HydrophobicContact CG2-CG 3.98Å; V21-N38 PolarHBondContact N-OD1 2.78Å; V21-N38 PolarHBondContact O-ND2 3.38Å; V21-R42 WeakPolarHBondContact O-CD 3.44Å
22	D	85.6	Confident	67.7	Low	56 Å²	56	70.9 Å²	70.9	30%	0.299	38%	0.377	S	S	.	.	S	Bend	trans	-72.4	-30.7	178.5	-73.1	-59.8	0	0	0	113.4	R42 T50 Y51 P86	D22-R42 IonicContact OD1-CZ 3.69Å; D22-R42 IonicContact OD1-NH1 3.54Å; D22-R42 PolarHBondContact OD1-NH1 3.19Å; D22-R42 IonicContact OD1-NH2 2.9Å; D22-R42 PolarHBondContact OD1-NH2 2.83Å; D22-T50 WeakPolarHBondContact O-CG2 3.42Å; D22-Y51 PolarHBondContact O-N 3.45Å; D22-P86 HydrophobicContact CB-CG 3.64Å; D22-P86 VanDerWaalsContact O-CG 3.23Å; D22-P86 WeakPolarHBondContact O-CG 3.45Å; D22-P86 VanDerWaalsContact OD1-CD 3.23Å; D22-P86 WeakPolarHBondContact OD1-CD 3.37Å
23	D	85.8	Confident	70.2	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.182	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-121.7	126	168.6	-170.4	-22.9	0	0	0	109.5	V21 V25 L26 Y51 I52 G53	V21-D23 WeakPolarHBondContact CG2-O 3.23Å; D23-V25 PolarHBondContact O-N 3.06Å; D23-V25 WeakPolarHBondContact OD1-CB 3.45Å; D23-V25 VanDerWaalsContact OD1-CG2 3.29Å; D23-V25 WeakPolarHBondContact OD1-CG2 3.36Å; D23-V25 PolarHBondContact OD1-N 2.66Å; D23-L26 HydrophobicContact CB-CD1 4.49Å; D23-L26 HydrophobicContact CB-CG 4.48Å; D23-L26 VanDerWaalsContact O-CB 3.27Å; D23-L26 WeakPolarHBondContact O-CB 3.42Å; D23-L26 WeakPolarHBondContact O-CG 3.45Å; D23-L26 PolarHBondContact O-N 2.94Å; D23-Y51 WeakPolarHBondContact CA-O 3.35Å; D23-I52 WeakPolarHBondContact OD1-CA 3.09Å; D23-G53 PolarHBondContact OD1-N 3.38Å; D23-G53 VanDerWaalsContact OD1-N 3.16Å; D23-G53 WeakPolarHBondContact OD2-CA 3.38Å; D23-G53 PolarHBondContact OD2-N 3.42Å
24	M	87.1	Confident	72.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75.6	-6.7	-178	-66.5	-173.5	-64.9	0	0	114	V21 L26 L27 I35 N38 L39 T50 Y51 I52 I57 I615	V21-M24 HydrophobicContact CG2-CG 4.31Å; M24-L26 PolarHBondContact O-N 3.29Å; M24-L27 HydrophobicContact CB-CD1 3.78Å; M24-L27 HydrophobicContact CB-CG 4.06Å; M24-L27 HydrophobicContact CG-CD1 4.02Å; M24-L27 HydrophobicContact CG-CG 4.3Å; M24-L27 WeakPolarHBondContact O-CB 3.15Å; M24-L27 WeakPolarHBondContact O-CG 3.34Å; M24-L27 PolarHBondContact O-N 3.3Å; M24-L27 VanDerWaalsContact O-N 3.15Å; M24-L27 HydrophobicContact SD-CD1 4.36Å; M24-I35 HydrophobicContact CE-CG2 4.17Å; M24-I35 HydrophobicContact SD-CG2 3.9Å; M24-N38 WeakPolarHBondContact CG-ND2 3.44Å; M24-N38 HydrophobicContact SD-CB 4.36Å; M24-L39 HydrophobicContact CE-CD2 4.15Å; M24-L39 HydrophobicContact CE-CG 4.49Å; M24-L39 HydrophobicContact SD-CD2 4.22Å; M24-L39 HydrophobicContact SD-CG 4.19Å; M24-T50 HydrophobicContact CE-CG2 4.2Å; M24-T50 HydrophobicContact CG-CG2 3.74Å; M24-T50 HydrophobicContact SD-CG2 4.13Å; M24-Y51 PolarHBondContact N-O 2.99Å; M24-I52 HydrophobicContact CB-CG1 4.35Å; M24-I52 HydrophobicContact CE-CD1 3.96Å; M24-I52 HydrophobicContact CE-CG1 3.77Å; M24-I57 HydrophobicContact CE-CG1 3.81Å; M24-I615 HydrophobicContact CB-CD1 3.66Å; M24-I615 HydrophobicContact CB-CG1 4.19Å
25	V	80.1	Confident	75.3	Confident	12 Å²	12	62 Å²	62	7%	0.073	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.9	-18.2	161.2	177.4	0	0	0	0	111.5	D23 I52 R618 R619 P680	D23-V25 PolarHBondContact O-N 3.06Å; D23-V25 WeakPolarHBondContact OD1-CB 3.45Å; D23-V25 VanDerWaalsContact OD1-CG2 3.29Å; D23-V25 WeakPolarHBondContact OD1-CG2 3.36Å; D23-V25 PolarHBondContact OD1-N 2.66Å; V25-I52 HydrophobicContact CG2-CG2 4.28Å; V25-R618 HydrophobicContact CG2-CB 3.75Å; V25-R619 HydrophobicContact CG1-CG 3.92Å; V25-R619 PolarHBondContact O-NE 2.84Å; V25-R619 PolarHBondContact O-NH2 3.39Å; V25-P680 HydrophobicContact CG1-CG 4.5Å
26	L	74.7	Confident	78.2	Confident	53 Å²	53	53.7 Å²	53.7	28%	0.277	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-90	-4.5	176.1	-54.7	175.5	0	0	0	114.5	V21 D23 M24 S28 P680	V21-L26 HydrophobicContact CB-CB 4.3Å; V21-L26 HydrophobicContact CG1-CB 4.24Å; D23-L26 HydrophobicContact CB-CD1 4.49Å; D23-L26 HydrophobicContact CB-CG 4.48Å; D23-L26 VanDerWaalsContact O-CB 3.27Å; D23-L26 WeakPolarHBondContact O-CB 3.42Å; D23-L26 WeakPolarHBondContact O-CG 3.45Å; D23-L26 PolarHBondContact O-N 2.94Å; M24-L26 PolarHBondContact O-N 3.29Å; L26-S28 PolarHBondContact O-N 2.78Å; L26-P680 HydrophobicContact CD2-CB 3.98Å; L26-P680 HydrophobicContact CD2-CG 3.76Å
27	L	75.6	Confident	80.6	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.094	28%	0.283	C	S	.	.			trans	-60.5	130.1	-179	-72.5	174.8	0	0	0	111.9	V21 M24 K29 I35 N38 R619	V21-L27 HydrophobicContact CG2-CD2 3.61Å; V21-L27 HydrophobicContact CG2-CG 3.98Å; M24-L27 HydrophobicContact CB-CD1 3.78Å; M24-L27 HydrophobicContact CB-CG 4.06Å; M24-L27 HydrophobicContact CG-CD1 4.02Å; M24-L27 HydrophobicContact CG-CG 4.3Å; M24-L27 WeakPolarHBondContact O-CB 3.15Å; M24-L27 WeakPolarHBondContact O-CG 3.34Å; M24-L27 PolarHBondContact O-N 3.3Å; M24-L27 VanDerWaalsContact O-N 3.15Å; M24-L27 HydrophobicContact SD-CD1 4.36Å; L27-K29 PolarHBondContact O-N 3.49Å; L27-I35 HydrophobicContact CD1-CG1 3.89Å; L27-N38 HydrophobicContact CD2-CB 4.01Å; L27-R619 PolarHBondContact O-NH1 3Å; L27-R619 PolarHBondContact O-NH2 2.91Å
28	S	67.8	Low	82.9	Confident	117 Å²	117	46.1 Å²	46.1	82%	0.818	26%	0.257	S	S	*	.	S	Bend	trans	-61.2	-43.4	-175.8	57.5	0	0	0	0	113	L26	L26-S28 PolarHBondContact O-N 2.78Å
29	K	73.9	Confident	84.8	Confident	172 Å²	172	40.5 Å²	40.5	75%	0.748	23%	0.23	S	C	*	.	S	Bend	trans	-118.3	143	171.1	-65.4	-177.3	177.5	-177.2	0	109.9	L27	L27-K29 PolarHBondContact O-N 3.49Å
30	I	80.9	Confident	85.9	Confident	62 Å²	62	43.2 Å²	43.2	32%	0.318	24%	0.241	S	C	.	.			trans	-99	110	174.7	-43.4	170.7	0	0	0	108.3	K612 I615 R616	I30-K612 HydrophobicContact CG2-CG 4.2Å; I30-I615 HydrophobicContact CD1-CG2 4.17Å; I30-I615 HydrophobicContact CG1-CG2 4.17Å; I30-I615 HydrophobicContact CG2-CB 4.41Å; I30-I615 HydrophobicContact CG2-CG2 4.07Å; I30-R616 HydrophobicContact CD1-CB 4.45Å
31	S	87.8	Confident	86.5	Confident	41 Å²	41	47 Å²	47	29%	0.287	25%	0.253	S	S	.	.			trans	-147	162	167.8	63.9	0	0	0	0	108.8	D33 G34 I35	S31-D33 PolarHBondContact O-N 3.23Å; S31-G34 PolarHBondContact O-N 3.23Å; S31-G34 PolarHBondContact OG-N 3.03Å; S31-G34 VanDerWaalsContact OG-N 3.09Å; S31-I35 WeakPolarHBondContact O-CD1 3.4Å; S31-I35 WeakPolarHBondContact O-CG1 3.3Å; S31-I35 PolarHBondContact O-N 3.33Å
32	E	90.2	Very high	87.1	Confident	32 Å²	32	45.7 Å²	45.7	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-44.5	173.7	-50.2	86.5	-134	0	0	110.2	G34 I35 V36 K603 V606 E607 K612	E32-G34 VanDerWaalsContact C-N 3.31Å; E32-G34 PolarHBondContact O-N 3.08Å; E32-I35 WeakPolarHBondContact O-CA 3.13Å; E32-I35 WeakPolarHBondContact O-CB 2.96Å; E32-I35 PolarHBondContact O-N 3.29Å; E32-V36 VanDerWaalsContact O-CG2 3.3Å; E32-V36 WeakPolarHBondContact O-CG2 3.5Å; E32-V36 PolarHBondContact O-N 2.88Å; E32-K603 HydrophobicContact CB-CD 4.23Å; E32-K603 HydrophobicContact CB-CG 4.14Å; E32-K603 VanDerWaalsContact OE2-CE 3.22Å; E32-K603 WeakPolarHBondContact OE2-CE 3.48Å; E32-K603 IonicContact OE2-NZ 2.63Å; E32-K603 PolarHBondContact OE2-NZ 2.99Å; E32-V606 HydrophobicContact CB-CG1 4.04Å; E32-V606 HydrophobicContact CG-CG1 4.42Å; E32-E607 HydrophobicContact CG-CG 3.79Å; E32-K612 HydrophobicContact CG-CD 4.15Å; E32-K612 WeakPolarHBondContact OE1-CD 3.21Å; E32-K612 VanDerWaalsContact OE1-CE 3.3Å; E32-K612 WeakPolarHBondContact OE1-CE 3.29Å; E32-K612 IonicContact OE1-NZ 3.79Å; E32-K612 PolarHBondContact OE1-NZ 3.22Å
33	D	92.3	Very high	87.6	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-42.1	-177.2	-41.9	-54	0	0	0	110.9	S31 I35 V36 D37 K603	S31-D33 PolarHBondContact O-N 3.23Å; D33-I35 VanDerWaalsContact C-N 3.3Å; D33-I35 PolarHBondContact O-N 2.73Å; D33-V36 PolarHBondContact O-N 3.15Å; D33-D37 WeakPolarHBondContact O-CB 3.39Å; D33-D37 PolarHBondContact O-N 3.21Å; D33-K603 IonicContact OD1-NZ 2.8Å; D33-K603 PolarHBondContact OD1-NZ 2.9Å; D33-K603 IonicContact OD2-NZ 2.63Å
34	G	90.1	Very high	88	Confident	22 Å²	22	44.9 Å²	44.9	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-28.8	176.4	0	0	0	0	0	114.2	S31 E32 N38	S31-G34 PolarHBondContact O-N 3.23Å; S31-G34 PolarHBondContact OG-N 3.03Å; S31-G34 VanDerWaalsContact OG-N 3.09Å; E32-G34 VanDerWaalsContact C-N 3.31Å; E32-G34 PolarHBondContact O-N 3.08Å; G34-N38 WeakPolarHBondContact O-CB 3.36Å; G34-N38 PolarHBondContact O-N 3.04Å
35	I	94.3	Very high	88.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-75	-49.4	174.2	-65.3	161.1	0	0	0	109.8	M24 L27 S31 E32 D33 D37 N38 L39 V606 K612 I615	M24-I35 HydrophobicContact CE-CG2 4.17Å; M24-I35 HydrophobicContact SD-CG2 3.9Å; L27-I35 HydrophobicContact CD1-CG1 3.89Å; S31-I35 WeakPolarHBondContact O-CD1 3.4Å; S31-I35 WeakPolarHBondContact O-CG1 3.3Å; S31-I35 PolarHBondContact O-N 3.33Å; E32-I35 WeakPolarHBondContact O-CA 3.13Å; E32-I35 WeakPolarHBondContact O-CB 2.96Å; E32-I35 PolarHBondContact O-N 3.29Å; D33-I35 VanDerWaalsContact C-N 3.3Å; D33-I35 PolarHBondContact O-N 2.73Å; I35-D37 VanDerWaalsContact C-N 3.29Å; I35-D37 PolarHBondContact O-N 2.82Å; I35-N38 PolarHBondContact O-N 3.37Å; I35-L39 HydrophobicContact CG2-CD1 3.91Å; I35-L39 VanDerWaalsContact O-CG 3.31Å; I35-L39 WeakPolarHBondContact O-CG 3.29Å; I35-L39 PolarHBondContact O-N 3.18Å; I35-V606 HydrophobicContact CB-CG1 3.99Å; I35-V606 HydrophobicContact CD1-CG1 4.01Å; I35-V606 HydrophobicContact CG2-CB 4.46Å; I35-V606 HydrophobicContact CG2-CG1 3.77Å; I35-V606 HydrophobicContact CG2-CG2 3.75Å; I35-K612 HydrophobicContact CD1-CB 3.81Å; I35-I615 HydrophobicContact CD1-CD1 3.63Å; I35-I615 HydrophobicContact CG1-CD1 3.75Å
36	V	96.1	Very high	88.8	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-46.8	175.5	173.4	0	0	0	0	110.2	E32 D33 N38 L39 K40 W597 E599 V602 K603 V606	E32-V36 VanDerWaalsContact O-CG2 3.3Å; E32-V36 WeakPolarHBondContact O-CG2 3.5Å; E32-V36 PolarHBondContact O-N 2.88Å; D33-V36 PolarHBondContact O-N 3.15Å; V36-N38 PolarHBondContact O-N 3.18Å; V36-L39 PolarHBondContact O-N 3.43Å; V36-K40 WeakPolarHBondContact O-CB 3.49Å; V36-K40 PolarHBondContact O-N 2.89Å; V36-W597 HydrophobicContact CG1-CZ2 4.02Å; V36-W597 WeakPolarHBondContact O-CZ2 3.08Å; V36-E599 HydrophobicContact CG1-CG 3.75Å; V36-V602 HydrophobicContact CG2-CG1 4.4Å; V36-K603 HydrophobicContact CG2-CB 3.96Å; V36-V606 HydrophobicContact CG2-CB 4.32Å; V36-V606 HydrophobicContact CG2-CG2 3.87Å
37	D	93.5	Very high	89.6	Confident	69 Å²	69	50.2 Å²	50.2	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-33.6	-177.9	-158.9	30.1	0	0	0	112.3	D33 I35 K41	D33-D37 WeakPolarHBondContact O-CB 3.39Å; D33-D37 PolarHBondContact O-N 3.21Å; I35-D37 VanDerWaalsContact C-N 3.29Å; I35-D37 PolarHBondContact O-N 2.82Å; D37-K41 VanDerWaalsContact CG-CE 3.49Å; D37-K41 WeakPolarHBondContact O-CD 3.31Å; D37-K41 WeakPolarHBondContact O-CE 3.44Å; D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.3Å; D37-K41 VanDerWaalsContact OD1-CE 3.23Å; D37-K41 WeakPolarHBondContact OD1-CE 3.48Å; D37-K41 IonicContact OD1-NZ 3.22Å; D37-K41 PolarHBondContact OD1-NZ 3.01Å; D37-K41 WeakPolarHBondContact OD2-CE 3.23Å; D37-K41 IonicContact OD2-NZ 2.68Å; D37-K41 PolarHBondContact OD2-NZ 3.03Å
38	N	93.6	Very high	90.6	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-47.4	172.3	-170.6	62.7	0	0	0	112.2	G20 V21 M24 L27 G34 I35 V36 K40 K41 R42	G20-N38 WeakPolarHBondContact CA-OD1 3.21Å; V21-N38 PolarHBondContact N-OD1 2.78Å; V21-N38 PolarHBondContact O-ND2 3.38Å; M24-N38 WeakPolarHBondContact CG-ND2 3.44Å; M24-N38 HydrophobicContact SD-CB 4.36Å; L27-N38 HydrophobicContact CD2-CB 4.01Å; G34-N38 WeakPolarHBondContact O-CB 3.36Å; G34-N38 PolarHBondContact O-N 3.04Å; I35-N38 PolarHBondContact O-N 3.37Å; V36-N38 PolarHBondContact O-N 3.18Å; N38-K40 VanDerWaalsContact C-N 3.34Å; N38-K40 PolarHBondContact O-N 3.17Å; N38-K41 PolarHBondContact O-N 3.12Å; N38-R42 WeakPolarHBondContact O-CG 3.21Å; N38-R42 PolarHBondContact O-N 3.32Å; N38-R42 VanDerWaalsContact O-N 3.15Å
39	L	96.1	Very high	91.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-40.7	177.7	-66.1	169.2	0	0	0	111.3	M24 I35 V36 R42 Y43 I57 V59 I586 W597 V606	M24-L39 HydrophobicContact CE-CD2 4.15Å; M24-L39 HydrophobicContact CE-CG 4.49Å; M24-L39 HydrophobicContact SD-CD2 4.22Å; M24-L39 HydrophobicContact SD-CG 4.19Å; I35-L39 HydrophobicContact CG2-CD1 3.91Å; I35-L39 VanDerWaalsContact O-CG 3.31Å; I35-L39 WeakPolarHBondContact O-CG 3.29Å; I35-L39 PolarHBondContact O-N 3.18Å; V36-L39 PolarHBondContact O-N 3.43Å; L39-R42 PolarHBondContact O-N 3.22Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 2.92Å; L39-I57 HydrophobicContact CD2-CB 4.49Å; L39-I57 HydrophobicContact CD2-CG2 3.85Å; L39-V59 HydrophobicContact CD2-CG2 4.32Å; L39-I586 HydrophobicContact CD1-CD1 3.71Å; L39-W597 HydrophobicContact CB-CH2 3.76Å; L39-W597 HydrophobicContact CB-CZ2 4.44Å; L39-V606 HydrophobicContact CD1-CG2 4.17Å
40	K	95.9	Very high	92.9	Very high	65 Å²	65	36.3 Å²	36.3	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-59.1	-49.2	176.8	-172	178.1	-174.1	-178.2	0	111.9	V36 N38 Y43 M44 W597 E599	V36-K40 WeakPolarHBondContact O-CB 3.49Å; V36-K40 PolarHBondContact O-N 2.89Å; N38-K40 VanDerWaalsContact C-N 3.34Å; N38-K40 PolarHBondContact O-N 3.17Å; K40-Y43 PolarHBondContact O-N 2.75Å; K40-M44 VanDerWaalsContact O-CG 3.23Å; K40-M44 WeakPolarHBondContact O-CG 3.2Å; K40-M44 PolarHBondContact O-N 2.63Å; K40-W597 HydrophobicContact CB-CD2 4.12Å; K40-W597 HydrophobicContact CB-CH2 4.11Å; K40-W597 HydrophobicContact CB-CZ2 3.59Å; K40-W597 HydrophobicContact CD-CG 4.32Å; K40-W597 HydrophobicContact CG-CD2 3.89Å; K40-W597 HydrophobicContact CG-CG 3.99Å; K40-W597 HydrophobicContact CG-CZ2 4.25Å; K40-E599 IonicContact NZ-OE2 3.37Å; K40-E599 PolarHBondContact NZ-OE2 3.21Å
41	K	93.8	Very high	93.5	Very high	98 Å²	98	34 Å²	34	43%	0.426	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-50	179.2	-71.5	160.5	-162.5	166.8	0	111.1	S19 D37 N38 M44 D45	S19-K41 VanDerWaalsContact OG-C 3.3Å; S19-K41 PolarHBondContact OG-O 2.9Å; S19-K41 VanDerWaalsContact OG-O 3.08Å; D37-K41 VanDerWaalsContact CG-CE 3.49Å; D37-K41 WeakPolarHBondContact O-CD 3.31Å; D37-K41 WeakPolarHBondContact O-CE 3.44Å; D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.3Å; D37-K41 VanDerWaalsContact OD1-CE 3.23Å; D37-K41 WeakPolarHBondContact OD1-CE 3.48Å; D37-K41 IonicContact OD1-NZ 3.22Å; D37-K41 PolarHBondContact OD1-NZ 3.01Å; D37-K41 WeakPolarHBondContact OD2-CE 3.23Å; D37-K41 IonicContact OD2-NZ 2.68Å; D37-K41 PolarHBondContact OD2-NZ 3.03Å; N38-K41 PolarHBondContact O-N 3.12Å; K41-M44 PolarHBondContact O-N 3.06Å; K41-D45 PolarHBondContact O-N 3.44Å
42	R	94.6	Very high	93.5	Very high	6 Å²	6	32.1 Å²	32.1	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-46.4	179	-71.6	178.8	68.8	80.9	-6.7	112.5	S19 V21 D22 N38 L39 M44 D45 D46 Y47 F49 T50	S19-R42 WeakPolarHBondContact O-CG 3.24Å; S19-R42 PolarHBondContact O-NH1 3.08Å; V21-R42 WeakPolarHBondContact O-CD 3.44Å; D22-R42 IonicContact OD1-CZ 3.69Å; D22-R42 IonicContact OD1-NH1 3.54Å; D22-R42 PolarHBondContact OD1-NH1 3.19Å; D22-R42 IonicContact OD1-NH2 2.9Å; D22-R42 PolarHBondContact OD1-NH2 2.83Å; N38-R42 WeakPolarHBondContact O-CG 3.21Å; N38-R42 PolarHBondContact O-N 3.32Å; N38-R42 VanDerWaalsContact O-N 3.15Å; L39-R42 PolarHBondContact O-N 3.22Å; R42-M44 PolarHBondContact O-N 2.81Å; R42-D45 CarbonylContact O-C 3.41Å; R42-D45 PolarHBondContact O-N 3.25Å; R42-D46 PolarHBondContact O-N 3.12Å; R42-Y47 CarbonylContact C-O 3.54Å; R42-Y47 WeakPolarHBondContact CB-O 3.27Å; R42-Y47 WeakPolarHBondContact O-CA 3.45Å; R42-Y47 WeakPolarHBondContact O-CB 3.37Å; R42-Y47 PolarHBondContact O-N 3.47Å; R42-F49 PolarHBondContact NH2-O 2.84Å; R42-T50 PolarHBondContact NE-OG1 3.12Å
43	Y	95.1	Very high	93	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-44.9	176.4	174.7	-103.4	0	0	0	112.7	L39 K40 D45 D46 V59 N60 P588 K595 D596 W597	L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 2.92Å; K40-Y43 PolarHBondContact O-N 2.75Å; Y43-D45 VanDerWaalsContact C-N 3.26Å; Y43-D45 PolarHBondContact O-N 3.36Å; Y43-D46 PolarHBondContact O-N 2.86Å; Y43-V59 HydrophobicContact CD2-CB 4.16Å; Y43-V59 HydrophobicContact CD2-CG1 3.46Å; Y43-V59 VanDerWaalsContact CD2-CG1 3.46Å; Y43-V59 HydrophobicContact CE2-CG1 3.86Å; Y43-V59 HydrophobicContact CG-CG1 4.17Å; Y43-N60 WeakPolarHBondContact CE2-O 3.28Å; Y43-P588 HydrophobicContact CE1-CB 4.21Å; Y43-P588 HydrophobicContact CE1-CG 4.44Å; Y43-P588 HydrophobicContact CE2-CB 4.16Å; Y43-P588 HydrophobicContact CE2-CG 3.77Å; Y43-K595 PolarHBondContact OH-N 2.93Å; Y43-D596 WeakPolarHBondContact CE1-O 3.18Å; Y43-D596 PolarHBondContact OH-O 3.14Å; Y43-W597 AromaticContact CD1-CE3 3.57Å; Y43-W597 HydrophobicContact CD1-CE3 3.57Å; Y43-W597 AromaticContact CD1-CZ3 3.99Å; Y43-W597 HydrophobicContact CD1-CZ3 3.99Å; Y43-W597 HydrophobicContact CE1-CE3 4.07Å; Y43-W597 HydrophobicContact CG-CE3 4.01Å; Y43-W597 AromaticContact CG-CZ3 3.93Å; Y43-W597 HydrophobicContact CG-CZ3 3.93Å
44	M	93.7	Very high	92.4	Very high	67 Å²	67	30.4 Å²	30.4	33%	0.33	16%	0.159	S	C	.	.	H	α-helix	trans	-65.1	-30.6	178.4	-69.2	-65.9	174.1	0	0	112.7	K40 K41 R42 D46 K595 W597	K40-M44 VanDerWaalsContact O-CG 3.23Å; K40-M44 WeakPolarHBondContact O-CG 3.2Å; K40-M44 PolarHBondContact O-N 2.63Å; K41-M44 PolarHBondContact O-N 3.06Å; R42-M44 PolarHBondContact O-N 2.81Å; M44-D46 VanDerWaalsContact C-N 3.3Å; M44-K595 WeakPolarHBondContact CE-O 3.43Å; M44-K595 PolarHBondContact O-NZ 3.11Å; M44-K595 HydrophobicContact SD-CB 4.21Å; M44-W597 HydrophobicContact CE-CB 3.75Å
45	D	91.9	Very high	92.4	Very high	47 Å²	47	29.4 Å²	29.4	25%	0.251	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	15	171.8	-76.3	-34.6	0	0	0	114.1	K17 S19 K41 R42 Y43 Y47	K17-D45 WeakPolarHBondContact CE-OD1 3.46Å; K17-D45 IonicContact NZ-OD1 3.79Å; K17-D45 PolarHBondContact NZ-OD1 3.01Å; K17-D45 IonicContact NZ-OD2 3.33Å; S19-D45 WeakPolarHBondContact CB-OD2 3.5Å; S19-D45 WeakPolarHBondContact OG-CB 3.18Å; S19-D45 PolarHBondContact OG-OD2 3.48Å; K41-D45 PolarHBondContact O-N 3.44Å; R42-D45 CarbonylContact O-C 3.41Å; R42-D45 PolarHBondContact O-N 3.25Å; Y43-D45 VanDerWaalsContact C-N 3.26Å; Y43-D45 PolarHBondContact O-N 3.36Å; D45-Y47 VanDerWaalsContact C-N 3.26Å; D45-Y47 HydrophobicContact CB-CD2 3.81Å; D45-Y47 HydrophobicContact CB-CE2 4.09Å; D45-Y47 WeakPolarHBondContact O-CD2 3.24Å; D45-Y47 PolarHBondContact O-N 3.39Å
46	D	92.5	Very high	92.4	Very high	47 Å²	47	29.4 Å²	29.4	25%	0.251	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	14.8	176.3	-68.3	-47.2	0	0	0	116.2	R42 Y43 M44 I48 K63 M65 Y67 K595	R42-D46 PolarHBondContact O-N 3.12Å; Y43-D46 PolarHBondContact O-N 2.86Å; M44-D46 VanDerWaalsContact C-N 3.3Å; D46-I48 PolarHBondContact O-N 3.18Å; D46-K63 WeakPolarHBondContact OD1-CE 3.3Å; D46-K63 IonicContact OD1-NZ 2.88Å; D46-K63 PolarHBondContact OD1-NZ 3.04Å; D46-K63 IonicContact OD2-NZ 3.08Å; D46-K63 PolarHBondContact OD2-NZ 3.03Å; D46-M65 HydrophobicContact CB-CE 3.81Å; D46-M65 WeakPolarHBondContact O-CE 3.44Å; D46-Y67 PolarHBondContact O-OH 2.94Å; D46-K595 VanDerWaalsContact CG-CE 3.47Å; D46-K595 VanDerWaalsContact CG-NZ 3.28Å; D46-K595 WeakPolarHBondContact OD1-CE 3.47Å; D46-K595 IonicContact OD1-NZ 3.84Å; D46-K595 PolarHBondContact OD1-NZ 2.86Å; D46-K595 WeakPolarHBondContact OD2-CE 3.28Å; D46-K595 IonicContact OD2-NZ 3.56Å; D46-K595 PolarHBondContact OD2-NZ 3.23Å
47	Y	92.9	Very high	92.4	Very high	84 Å²	84	29.2 Å²	29.2	33%	0.329	15%	0.147	S	C	.	.			trans	-89.5	93.7	170	-63.4	-77.9	0	0	0	110.8	R42 D45	R42-Y47 CarbonylContact C-O 3.54Å; R42-Y47 WeakPolarHBondContact CB-O 3.27Å; R42-Y47 WeakPolarHBondContact O-CA 3.45Å; R42-Y47 WeakPolarHBondContact O-CB 3.37Å; R42-Y47 PolarHBondContact O-N 3.47Å; D45-Y47 VanDerWaalsContact C-N 3.26Å; D45-Y47 HydrophobicContact CB-CD2 3.81Å; D45-Y47 HydrophobicContact CB-CE2 4.09Å; D45-Y47 WeakPolarHBondContact O-CD2 3.24Å; D45-Y47 PolarHBondContact O-N 3.39Å
48	I	95.1	Very high	92.6	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.041	13%	0.133	C	C	.	.			trans	-80.7	-15.5	-174.8	72.4	-176.8	0	0	0	114.8	D46 V59 P61 M65 Y67 F68	D46-I48 PolarHBondContact O-N 3.18Å; I48-V59 WeakPolarHBondContact CB-O 3.1Å; I48-V59 PolarHBondContact O-N 3.25Å; I48-P61 HydrophobicContact CD1-CG 4.36Å; I48-P61 HydrophobicContact CG2-CB 3.98Å; I48-P61 HydrophobicContact CG2-CG 4.32Å; I48-M65 HydrophobicContact CD1-CG 4.37Å; I48-M65 HydrophobicContact CG2-CE 4.07Å; I48-Y67 WeakPolarHBondContact CG1-OH 3.4Å; I48-F68 HydrophobicContact CD1-CZ 4.21Å
49	F	96.2	Very high	92.8	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	-172	-69.3	-58.2	0	0	0	111.8	R42 L56 I57 Y67 F68 P86 H87 I88	R42-F49 PolarHBondContact NH2-O 2.84Å; F49-L56 HydrophobicContact CB-CD1 4.08Å; F49-L56 HydrophobicContact CD1-CD1 4Å; F49-L56 HydrophobicContact CD1-CD2 4.07Å; F49-L56 HydrophobicContact CD1-CG 4.18Å; F49-L56 HydrophobicContact CE1-CD2 4.28Å; F49-L56 HydrophobicContact CG-CD1 4.37Å; F49-I57 WeakPolarHBondContact CA-O 3.33Å; F49-Y67 HydrophobicContact CE2-CE2 4.36Å; F49-F68 AromaticContact CE2-CE1 3.94Å; F49-F68 HydrophobicContact CE2-CE1 3.94Å; F49-F68 AromaticContact CE2-CZ 3.76Å; F49-F68 HydrophobicContact CE2-CZ 3.76Å; F49-F68 HydrophobicContact CZ-CE1 4.19Å; F49-F68 AromaticContact CZ-CZ 3.98Å; F49-F68 HydrophobicContact CZ-CZ 3.98Å; F49-P86 HydrophobicContact CB-CB 4.16Å; F49-P86 WeakPolarHBondContact CB-O 3.47Å; F49-H87 AromaticContact CD2-CD2 3.43Å; F49-H87 VanDerWaalsContact CD2-CD2 3.43Å; F49-H87 WeakPolarHBondContact CD2-CD2 3.45Å; F49-H87 AromaticContact CE2-CD2 3.41Å; F49-H87 VanDerWaalsContact CE2-CD2 3.41Å; F49-H87 WeakPolarHBondContact CE2-CD2 3.38Å; F49-H87 AromaticContact CE2-NE2 3.58Å; F49-I88 HydrophobicContact CE1-CB 4.01Å; F49-I88 HydrophobicContact CE2-CB 4.43Å; F49-I88 HydrophobicContact CE2-CG2 4.23Å; F49-I88 HydrophobicContact CZ-CB 3.78Å; F49-I88 HydrophobicContact CZ-CG2 3.78Å
50	T	95.4	Very high	92.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.4	178.8	-46.9	0	0	0	0	109.6	D22 M24 R42 I57	D22-T50 WeakPolarHBondContact O-CG2 3.42Å; M24-T50 HydrophobicContact CE-CG2 4.2Å; M24-T50 HydrophobicContact CG-CG2 3.74Å; M24-T50 HydrophobicContact SD-CG2 4.13Å; R42-T50 PolarHBondContact NE-OG1 3.12Å; T50-I57 PolarHBondContact N-O 3.23Å; T50-I57 VanDerWaalsContact N-O 3.13Å; T50-I57 WeakPolarHBondContact O-CB 3.24Å; T50-I57 PolarHBondContact O-N 3.06Å
51	Y	91.7	Very high	92.6	Very high	14 Å²	14	25.3 Å²	25.3	6%	0.055	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	157.4	177.4	-70.3	-51.9	0	0	0	113.5	D22 D23 M24 V55 L56 Q81 P86 H87 A90	D22-Y51 PolarHBondContact O-N 3.45Å; D23-Y51 WeakPolarHBondContact CA-O 3.35Å; M24-Y51 PolarHBondContact N-O 2.99Å; Y51-V55 CarbonylContact C-O 3.43Å; Y51-V55 WeakPolarHBondContact CA-O 3.24Å; Y51-L56 HydrophobicContact CD1-CD1 4Å; Y51-L56 HydrophobicContact CE1-CB 4.48Å; Y51-L56 HydrophobicContact CE1-CD1 3.82Å; Y51-Q81 HydrophobicContact CE1-CG 4.38Å; Y51-Q81 HydrophobicContact CE2-CG 3.84Å; Y51-P86 HydrophobicContact CD2-CB 3.77Å; Y51-P86 HydrophobicContact CD2-CG 3.74Å; Y51-P86 HydrophobicContact CE1-CB 4.44Å; Y51-P86 VanDerWaalsContact CE2-CA 3.47Å; Y51-P86 HydrophobicContact CE2-CB 3.68Å; Y51-P86 HydrophobicContact CE2-CG 3.93Å; Y51-P86 HydrophobicContact CG-CB 4.19Å; Y51-P86 HydrophobicContact CG-CG 4.42Å; Y51-H87 PolarHBondContact OH-N 2.99Å; Y51-A90 WeakPolarHBondContact OH-CB 3.48Å
52	I	88.3	Confident	92.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	79.3	153.2	-56.4	172.6	0	0	0	105.3	D23 M24 V25 P54 V55 I57 L611 N614 I615 R618	D23-I52 WeakPolarHBondContact OD1-CA 3.09Å; M24-I52 HydrophobicContact CB-CG1 4.35Å; M24-I52 HydrophobicContact CE-CD1 3.96Å; M24-I52 HydrophobicContact CE-CG1 3.77Å; V25-I52 HydrophobicContact CG2-CG2 4.28Å; I52-P54 WeakPolarHBondContact O-CD 3.32Å; I52-P54 VanDerWaalsContact O-N 3.16Å; I52-V55 HydrophobicContact CB-CB 4.36Å; I52-V55 PolarHBondContact N-O 2.88Å; I52-V55 PolarHBondContact O-N 2.96Å; I52-I57 HydrophobicContact CD1-CD1 3.76Å; I52-I57 HydrophobicContact CD1-CG1 4Å; I52-I57 HydrophobicContact CG1-CD1 4.3Å; I52-I57 HydrophobicContact CG1-CG1 4.12Å; I52-L611 HydrophobicContact CD1-CB 4.01Å; I52-L611 HydrophobicContact CD1-CD2 4.08Å; I52-L611 HydrophobicContact CD1-CG 4.47Å; I52-N614 HydrophobicContact CG2-CB 4.37Å; I52-I615 HydrophobicContact CB-CG1 4.37Å; I52-I615 HydrophobicContact CD1-CD1 4.07Å; I52-I615 HydrophobicContact CD1-CG1 3.93Å; I52-I615 HydrophobicContact CG1-CD1 4.26Å; I52-I615 HydrophobicContact CG1-CG1 3.94Å; I52-I615 HydrophobicContact CG2-CB 4.44Å; I52-I615 HydrophobicContact CG2-CG1 3.56Å; I52-R618 HydrophobicContact CG2-CG 4.28Å
53	G	80.8	Confident	92.3	Very high	18 Å²	18	26.5 Å²	26.5	19%	0.186	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-114.3	-168.1	0	0	0	0	0	112.7	D23 V55 Q81	D23-G53 PolarHBondContact OD1-N 3.38Å; D23-G53 VanDerWaalsContact OD1-N 3.16Å; D23-G53 WeakPolarHBondContact OD2-CA 3.38Å; D23-G53 PolarHBondContact OD2-N 3.42Å; G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 2.98Å; G53-Q81 PolarHBondContact O-NE2 3.38Å; G53-Q81 VanDerWaalsContact O-NE2 3.11Å
54	P	79.6	Confident	92	Very high	67 Å²	67	34 Å²	34	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.6	179.2	33.4	-36.6	0	0	0	114.4	I52	I52-P54 WeakPolarHBondContact O-CD 3.32Å; I52-P54 VanDerWaalsContact O-N 3.16Å
55	V	89.3	Confident	91.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134	-179.3	-176.2	0	0	0	0	110.1	Y51 I52 G53 I57 F416 R584	Y51-V55 CarbonylContact C-O 3.43Å; Y51-V55 WeakPolarHBondContact CA-O 3.24Å; I52-V55 HydrophobicContact CB-CB 4.36Å; I52-V55 PolarHBondContact N-O 2.88Å; I52-V55 PolarHBondContact O-N 2.96Å; G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 2.98Å; V55-I57 HydrophobicContact CG1-CD1 4.4Å; V55-F416 HydrophobicContact CG2-CE2 4.11Å; V55-R584 HydrophobicContact CG1-CG 3.92Å
56	L	94.9	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	176.7	179.3	64.3	0	0	0	111.1	F49 Y51 I88 L91 Y582 I583 R584	F49-L56 HydrophobicContact CB-CD1 4.08Å; F49-L56 HydrophobicContact CD1-CD1 4Å; F49-L56 HydrophobicContact CD1-CD2 4.07Å; F49-L56 HydrophobicContact CD1-CG 4.18Å; F49-L56 HydrophobicContact CE1-CD2 4.28Å; F49-L56 HydrophobicContact CG-CD1 4.37Å; Y51-L56 HydrophobicContact CD1-CD1 4Å; Y51-L56 HydrophobicContact CE1-CB 4.48Å; Y51-L56 HydrophobicContact CE1-CD1 3.82Å; L56-I88 HydrophobicContact CD2-CB 3.99Å; L56-I88 HydrophobicContact CD2-CG1 4.21Å; L56-L91 HydrophobicContact CB-CD1 3.96Å; L56-L91 HydrophobicContact CD2-CD1 4.37Å; L56-Y582 PolarHBondContact N-O 3.47Å; L56-I583 HydrophobicContact CB-CG1 4.35Å; L56-I583 HydrophobicContact CD2-CD1 4.33Å; L56-I583 HydrophobicContact CD2-CG1 4.47Å; L56-I583 CarbonylContact O-C 3.58Å; L56-I583 VanDerWaalsContact O-CA 3.31Å; L56-I583 WeakPolarHBondContact O-CA 3.37Å; L56-R584 PolarHBondContact O-N 3.45Å
57	I	96.6	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.9	170.2	-48.4	-54.6	0	0	0	108.9	M24 L39 F49 T50 I52 V55 R584 I586 L611	M24-I57 HydrophobicContact CE-CG1 3.81Å; L39-I57 HydrophobicContact CD2-CB 4.49Å; L39-I57 HydrophobicContact CD2-CG2 3.85Å; F49-I57 WeakPolarHBondContact CA-O 3.33Å; T50-I57 PolarHBondContact N-O 3.23Å; T50-I57 VanDerWaalsContact N-O 3.13Å; T50-I57 WeakPolarHBondContact O-CB 3.24Å; T50-I57 PolarHBondContact O-N 3.06Å; I52-I57 HydrophobicContact CD1-CD1 3.76Å; I52-I57 HydrophobicContact CD1-CG1 4Å; I52-I57 HydrophobicContact CG1-CD1 4.3Å; I52-I57 HydrophobicContact CG1-CG1 4.12Å; V55-I57 HydrophobicContact CG1-CD1 4.4Å; I57-R584 WeakPolarHBondContact CA-O 3.39Å; I57-R584 HydrophobicContact CD1-CB 3.77Å; I57-R584 HydrophobicContact CD1-CG 4.16Å; I57-I586 HydrophobicContact CG2-CD1 3.7Å; I57-I586 HydrophobicContact CG2-CG1 4.38Å; I57-L611 HydrophobicContact CD1-CD1 3.99Å; I57-L611 HydrophobicContact CD1-CD2 3.74Å
58	S	96.7	Very high	90.7	Very high	11 Å²	11	32.7 Å²	32.7	8%	0.077	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	106.2	-176.5	176.7	0	0	0	0	110.8	R584 C585 I586	S58-R584 PolarHBondContact N-O 2.96Å; S58-C585 CarbonylContact O-C 3.53Å; S58-C585 VanDerWaalsContact O-CA 3.27Å; S58-C585 WeakPolarHBondContact O-CA 3.22Å; S58-I586 PolarHBondContact O-N 3.43Å
59	V	97	Very high	90.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131	176	-174.6	0	0	0	0	110	L39 Y43 I48 P61 I586 P588 W597	L39-V59 HydrophobicContact CD2-CG2 4.32Å; Y43-V59 HydrophobicContact CD2-CB 4.16Å; Y43-V59 HydrophobicContact CD2-CG1 3.46Å; Y43-V59 VanDerWaalsContact CD2-CG1 3.46Å; Y43-V59 HydrophobicContact CE2-CG1 3.86Å; Y43-V59 HydrophobicContact CG-CG1 4.17Å; I48-V59 WeakPolarHBondContact CB-O 3.1Å; I48-V59 PolarHBondContact O-N 3.25Å; V59-P61 VanDerWaalsContact O-CD 3.25Å; V59-P61 WeakPolarHBondContact O-CD 3.4Å; V59-I586 CarbonylContact C-O 3.58Å; V59-I586 WeakPolarHBondContact CA-O 3.45Å; V59-I586 HydrophobicContact CG2-CB 4.36Å; V59-P588 HydrophobicContact CG1-CB 3.9Å; V59-P588 HydrophobicContact CG1-CG 3.97Å; V59-W597 HydrophobicContact CG1-CZ3 4.2Å
60	N	95.2	Very high	89.7	Confident	31 Å²	31	39.3 Å²	39.3	17%	0.166	21%	0.212	C	C	.	.			trans	-67.5	118.1	179.2	-174.6	-8.4	0	0	0	111.2	Y43 F62 G115 I586 P588	Y43-N60 WeakPolarHBondContact CE2-O 3.28Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 WeakPolarHBondContact ND2-CE1 3.41Å; N60-F62 PolarHBondContact O-N 2.86Å; N60-F62 PolarHBondContact OD1-N 3.5Å; N60-G115 PolarHBondContact ND2-O 2.84Å; N60-I586 PolarHBondContact N-O 3.23Å; N60-P588 WeakPolarHBondContact O-CD 3.43Å; N60-P588 VanDerWaalsContact O-CG 3.24Å; N60-P588 WeakPolarHBondContact O-CG 3.43Å
61	P	93.9	Very high	89.4	Confident	18 Å²	18	47.8 Å²	47.8	12%	0.117	24%	0.244	C	C	.	.			trans	-69.4	-20.6	179	26	-33.7	0	0	0	115	I48 V59 K63 M65 P594	I48-P61 HydrophobicContact CD1-CG 4.36Å; I48-P61 HydrophobicContact CG2-CB 3.98Å; I48-P61 HydrophobicContact CG2-CG 4.32Å; V59-P61 VanDerWaalsContact O-CD 3.25Å; V59-P61 WeakPolarHBondContact O-CD 3.4Å; P61-K63 HydrophobicContact CB-CG 3.98Å; P61-K63 VanDerWaalsContact CG-O 3.32Å; P61-K63 WeakPolarHBondContact CG-O 3.21Å; P61-K63 PolarHBondContact O-N 3Å; P61-M65 HydrophobicContact CB-CG 4.09Å; P61-M65 HydrophobicContact CB-SD 3.53Å; P61-M65 VanDerWaalsContact CB-SD 3.53Å; P61-M65 HydrophobicContact CG-CG 3.86Å; P61-M65 HydrophobicContact CG-SD 3.99Å; P61-P594 WeakPolarHBondContact O-CA 3.23Å; P61-P594 WeakPolarHBondContact O-CB 3.35Å
62	F	91.2	Very high	89.4	Confident	47 Å²	47	47.7 Å²	47.7	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	52.1	27.3	-166.2	-65.2	-63.8	0	0	0	114.4	N60 K587 P588 N589 K592	N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 WeakPolarHBondContact ND2-CE1 3.41Å; N60-F62 PolarHBondContact O-N 2.86Å; N60-F62 PolarHBondContact OD1-N 3.5Å; F62-K587 HydrophobicContact CE2-CG 4.33Å; F62-K587 HydrophobicContact CZ-CG 3.81Å; F62-P588 HydrophobicContact CD2-CG 4.1Å; F62-P588 HydrophobicContact CE2-CG 3.9Å; F62-N589 WeakPolarHBondContact CE2-OD1 3.45Å; F62-K592 WeakPolarHBondContact CB-O 3.39Å; F62-K592 HydrophobicContact CD1-CB 4.08Å; F62-K592 HydrophobicContact CE1-CB 3.97Å; F62-K592 HydrophobicContact CE1-CG 4.16Å; F62-K592 WeakPolarHBondContact CG-O 3.3Å; F62-K592 HydrophobicContact CZ-CB 4.37Å; F62-K592 HydrophobicContact CZ-CG 4.46Å
63	K	91.1	Very high	89.4	Confident	81 Å²	81	48.6 Å²	48.6	35%	0.352	25%	0.249	S	C	.	.	S	Bend	trans	-155.3	163.2	172	58.9	170	176.1	171.8	0	110	D46 P61 M65 P594	D46-K63 WeakPolarHBondContact OD1-CE 3.3Å; D46-K63 IonicContact OD1-NZ 2.88Å; D46-K63 PolarHBondContact OD1-NZ 3.04Å; D46-K63 IonicContact OD2-NZ 3.08Å; D46-K63 PolarHBondContact OD2-NZ 3.03Å; P61-K63 HydrophobicContact CB-CG 3.98Å; P61-K63 VanDerWaalsContact CG-O 3.32Å; P61-K63 WeakPolarHBondContact CG-O 3.21Å; P61-K63 PolarHBondContact O-N 3Å; K63-M65 HydrophobicContact CD-SD 4.2Å; K63-M65 HydrophobicContact CG-SD 3.88Å; K63-P594 HydrophobicContact CB-CB 4.18Å; K63-P594 HydrophobicContact CD-CB 4.07Å; K63-P594 HydrophobicContact CG-CB 4.02Å
64	Q	87.3	Confident	89.8	Confident	163 Å²	163	54.9 Å²	54.9	76%	0.762	27%	0.273	S	S	*	.			trans	-70.1	142.7	168.5	-64.4	-62.9	-6.4	0	0	110.8
65	M	89.5	Confident	90.2	Very high	15 Å²	15	55.5 Å²	55.5	7%	0.074	27%	0.272	C	S	.	.			trans	-111	140.6	-179.2	-54.2	-58.5	-75.6	0	0	110.4	D46 I48 P61 K63 Y67 F68	D46-M65 HydrophobicContact CB-CE 3.81Å; D46-M65 WeakPolarHBondContact O-CE 3.44Å; I48-M65 HydrophobicContact CD1-CG 4.37Å; I48-M65 HydrophobicContact CG2-CE 4.07Å; P61-M65 HydrophobicContact CB-CG 4.09Å; P61-M65 HydrophobicContact CB-SD 3.53Å; P61-M65 VanDerWaalsContact CB-SD 3.53Å; P61-M65 HydrophobicContact CG-CG 3.86Å; P61-M65 HydrophobicContact CG-SD 3.99Å; K63-M65 HydrophobicContact CD-SD 4.2Å; K63-M65 HydrophobicContact CG-SD 3.88Å; M65-Y67 HydrophobicContact CB-CD1 4.39Å; M65-Y67 HydrophobicContact CB-CE1 4.05Å; M65-Y67 HydrophobicContact CB-CE2 4.19Å; M65-Y67 HydrophobicContact CE-CE1 3.79Å; M65-Y67 WeakPolarHBondContact CE-OH 3.44Å; M65-Y67 PolarHBondContact O-N 2.78Å; M65-F68 HydrophobicContact CB-CD2 4.03Å; M65-F68 HydrophobicContact CB-CE2 3.79Å; M65-F68 HydrophobicContact CG-CE2 4.2Å
66	P	84	Confident	90.3	Very high	120 Å²	120	56.1 Å²	56.1	78%	0.779	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	2.2	-169.4	33	-37.9	0	0	0	115
67	Y	84.5	Confident	90.1	Very high	46 Å²	46	61.2 Å²	61.2	18%	0.18	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	27.6	-171.2	52.8	-109.4	0	0	0	114	D46 I48 F49 M65 E72 H87	D46-Y67 PolarHBondContact O-OH 2.94Å; I48-Y67 WeakPolarHBondContact CG1-OH 3.4Å; F49-Y67 HydrophobicContact CE2-CE2 4.36Å; M65-Y67 HydrophobicContact CB-CD1 4.39Å; M65-Y67 HydrophobicContact CB-CE1 4.05Å; M65-Y67 HydrophobicContact CB-CE2 4.19Å; M65-Y67 HydrophobicContact CE-CE1 3.79Å; M65-Y67 WeakPolarHBondContact CE-OH 3.44Å; M65-Y67 PolarHBondContact O-N 2.78Å; Y67-E72 WeakPolarHBondContact O-CG 3.29Å; Y67-H87 AromaticContact CD2-NE2 3.59Å; Y67-H87 AromaticContact CE2-NE2 3.87Å
68	F	85.9	Confident	89.2	Confident	37 Å²	37	63.5 Å²	63.5	16%	0.162	32%	0.321	C	S	.	.			trans	-107.1	41.9	170	-65.3	-65.5	0	0	0	111	I48 F49 M65 H87 I88 Y89 Y124	I48-F68 HydrophobicContact CD1-CZ 4.21Å; F49-F68 AromaticContact CE2-CE1 3.94Å; F49-F68 HydrophobicContact CE2-CE1 3.94Å; F49-F68 AromaticContact CE2-CZ 3.76Å; F49-F68 HydrophobicContact CE2-CZ 3.76Å; F49-F68 HydrophobicContact CZ-CE1 4.19Å; F49-F68 AromaticContact CZ-CZ 3.98Å; F49-F68 HydrophobicContact CZ-CZ 3.98Å; M65-F68 HydrophobicContact CB-CD2 4.03Å; M65-F68 HydrophobicContact CB-CE2 3.79Å; M65-F68 HydrophobicContact CG-CE2 4.2Å; F68-H87 AromaticContact CD1-CE1 3.86Å; F68-H87 AromaticContact CD1-NE2 3.83Å; F68-H87 AromaticContact CE1-CE1 3.73Å; F68-H87 AromaticContact CE1-NE2 3.38Å; F68-H87 WeakPolarHBondContact CE1-NE2 3.41Å; F68-I88 HydrophobicContact CE1-CG2 4.05Å; F68-Y89 HydrophobicContact CD1-CE1 4.34Å; F68-Y89 HydrophobicContact CD1-CE2 4.49Å; F68-Y89 AromaticContact CD1-CZ 3.94Å; F68-Y124 HydrophobicContact CB-CE1 3.98Å; F68-Y124 AromaticContact CD1-CD1 3.97Å; F68-Y124 HydrophobicContact CD1-CD1 3.97Å; F68-Y124 HydrophobicContact CD1-CD2 4.18Å; F68-Y124 AromaticContact CD1-CE1 3.87Å; F68-Y124 HydrophobicContact CD1-CE1 3.87Å; F68-Y124 HydrophobicContact CD1-CE2 4.06Å; F68-Y124 HydrophobicContact CD1-CG 4.15Å; F68-Y124 AromaticContact CD1-CZ 3.93Å; F68-Y124 AromaticContact CD2-CE1 3.92Å; F68-Y124 HydrophobicContact CD2-CE1 3.92Å; F68-Y124 AromaticContact CD2-CE2 3.98Å; F68-Y124 HydrophobicContact CD2-CE2 3.98Å; F68-Y124 AromaticContact CD2-CZ 3.46Å; F68-Y124 VanDerWaalsContact CD2-CZ 3.46Å; F68-Y124 VanDerWaalsContact CD2-OH 3.26Å; F68-Y124 WeakPolarHBondContact CD2-OH 3.37Å; F68-Y124 HydrophobicContact CE1-CD1 4.35Å; F68-Y124 AromaticContact CE1-CD2 3.71Å; F68-Y124 HydrophobicContact CE1-CD2 3.71Å; F68-Y124 HydrophobicContact CE1-CE1 4.3Å; F68-Y124 AromaticContact CE1-CE2 3.64Å; F68-Y124 HydrophobicContact CE1-CE2 3.64Å; F68-Y124 HydrophobicContact CE1-CG 4.09Å; F68-Y124 AromaticContact CE1-CZ 3.98Å; F68-Y124 HydrophobicContact CE2-CD2 4.43Å; F68-Y124 HydrophobicContact CE2-CE1 4.34Å; F68-Y124 AromaticContact CE2-CE2 3.54Å; F68-Y124 HydrophobicContact CE2-CE2 3.54Å; F68-Y124 AromaticContact CE2-CZ 3.5Å; F68-Y124 VanDerWaalsContact CE2-CZ 3.5Å; F68-Y124 WeakPolarHBondContact CE2-OH 3.37Å; F68-Y124 HydrophobicContact CG-CD1 4.21Å; F68-Y124 AromaticContact CG-CE1 3.66Å; F68-Y124 HydrophobicContact CG-CE1 3.66Å; F68-Y124 HydrophobicContact CG-CE2 4.22Å; F68-Y124 AromaticContact CG-CZ 3.68Å; F68-Y124 AromaticContact CZ-CD2 3.85Å; F68-Y124 HydrophobicContact CZ-CD2 3.85Å; F68-Y124 AromaticContact CZ-CE2 3.35Å; F68-Y124 HydrophobicContact CZ-CE2 3.35Å; F68-Y124 AromaticContact CZ-CZ 3.77Å
69	G	85.5	Confident	88.1	Confident	29 Å²	29	63.8 Å²	63.8	30%	0.299	32%	0.324	S	S	.	.	S	Bend	trans	-107.8	176.9	-177.8	0	0	0	0	0	113.7	R71 E72 I73	G69-R71 PolarHBondContact O-N 3.36Å; G69-E72 WeakPolarHBondContact CA-OE2 3.41Å; G69-E72 PolarHBondContact N-OE2 3.26Å; G69-E72 PolarHBondContact O-N 2.85Å; G69-E72 VanDerWaalsContact O-N 3.1Å; G69-I73 PolarHBondContact O-N 3.19Å
70	E	86.1	Confident	86.7	Confident	123 Å²	123	64.5 Å²	64.5	58%	0.575	33%	0.331	S	S	*	.	H	α-helix	trans	-58.8	-33.4	178.6	-61.4	-169.3	124.8	0	0	112.6	E72 I73 E74 K131	E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.43Å; E70-I73 WeakPolarHBondContact O-CB 3.5Å; E70-I73 PolarHBondContact O-N 3.04Å; E70-I73 VanDerWaalsContact O-N 3.08Å; E70-E74 PolarHBondContact O-N 2.99Å; E70-K131 VanDerWaalsContact OE1-CE 3.29Å; E70-K131 WeakPolarHBondContact OE1-CE 3.3Å; E70-K131 IonicContact OE1-NZ 3.72Å; E70-K131 PolarHBondContact OE1-NZ 3.14Å
71	R	89.1	Confident	85.3	Confident	179 Å²	179	65.9 Å²	65.9	68%	0.675	34%	0.336	S	S	*	.	H	α-helix	trans	-57	-42.6	175.3	-174.5	-173.8	70.8	162.5	1.5	112.2	G69 M75	G69-R71 PolarHBondContact O-N 3.36Å; R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.45Å; R71-M75 PolarHBondContact O-N 2.9Å
72	E	90.2	Very high	84.1	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-74.4	-31.7	177.1	-69.4	76.4	-146.7	0	0	111.5	Y67 G69 E70 M75 Y76 Y89	Y67-E72 WeakPolarHBondContact O-CG 3.29Å; G69-E72 WeakPolarHBondContact CA-OE2 3.41Å; G69-E72 PolarHBondContact N-OE2 3.26Å; G69-E72 PolarHBondContact O-N 2.85Å; G69-E72 VanDerWaalsContact O-N 3.1Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.43Å; E72-M75 PolarHBondContact O-N 3.38Å; E72-Y76 HydrophobicContact CB-CD2 4.41Å; E72-Y76 HydrophobicContact CB-CE2 4.45Å; E72-Y76 WeakPolarHBondContact O-CD2 3.33Å; E72-Y76 PolarHBondContact O-N 3.34Å; E72-Y89 HydrophobicContact CB-CD2 4.04Å; E72-Y89 HydrophobicContact CB-CE2 4Å
73	I	89.9	Confident	83.1	Confident	20 Å²	20	71.6 Å²	71.6	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-49.7	172.6	-59.6	177.1	0	0	0	110	G69 E70 M75 Y76 Q77 Y89 Y128 K131 V132	G69-I73 PolarHBondContact O-N 3.19Å; E70-I73 WeakPolarHBondContact O-CB 3.5Å; E70-I73 PolarHBondContact O-N 3.04Å; E70-I73 VanDerWaalsContact O-N 3.08Å; I73-M75 VanDerWaalsContact C-N 3.31Å; I73-M75 PolarHBondContact O-N 2.81Å; I73-Y76 PolarHBondContact O-N 2.75Å; I73-Q77 WeakPolarHBondContact O-CB 3.28Å; I73-Q77 PolarHBondContact O-N 2.95Å; I73-Y89 HydrophobicContact CG1-CD2 4.14Å; I73-Y89 HydrophobicContact CG1-CE2 3.72Å; I73-Y128 HydrophobicContact CB-CD2 4.46Å; I73-Y128 HydrophobicContact CB-CE2 4.27Å; I73-Y128 HydrophobicContact CG1-CD2 4.09Å; I73-Y128 HydrophobicContact CG1-CE2 4.39Å; I73-Y128 HydrophobicContact CG2-CD2 4.11Å; I73-Y128 HydrophobicContact CG2-CE2 3.8Å; I73-K131 HydrophobicContact CD1-CB 4.03Å; I73-K131 HydrophobicContact CD1-CG 3.86Å; I73-K131 HydrophobicContact CG2-CB 4.33Å; I73-K131 HydrophobicContact CG2-CG 3.97Å; I73-V132 HydrophobicContact CG2-CG1 3.89Å
74	E	89.2	Confident	82.6	Confident	150 Å²	150	69.3 Å²	69.3	70%	0.701	35%	0.35	S	S	*	.	H	α-helix	trans	-59.2	-38.5	174.2	-69.4	-178.5	168.2	0	0	112.9	E70	E70-E74 PolarHBondContact O-N 2.99Å
75	M	87.8	Confident	82.6	Confident	80 Å²	80	64.4 Å²	64.4	39%	0.394	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-38.6	179.9	-179.9	175.5	174.8	0	0	113	R71 E72 I73 N84	R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.45Å; R71-M75 PolarHBondContact O-N 2.9Å; E72-M75 PolarHBondContact O-N 3.38Å; I73-M75 VanDerWaalsContact C-N 3.31Å; I73-M75 PolarHBondContact O-N 2.81Å; M75-N84 HydrophobicContact CE-CB 4.09Å; M75-N84 WeakPolarHBondContact CE-OD1 3.28Å; M75-N84 WeakPolarHBondContact CG-OD1 3.4Å; M75-N84 PolarHBondContact O-ND2 3.35Å
76	Y	91.2	Very high	82.7	Confident	14 Å²	14	64.2 Å²	64.2	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-90.3	-18	-179.4	-71.6	-73.7	0	0	0	114	E72 I73 G78 A79 N84 P85 H87 Y89 A90	E72-Y76 HydrophobicContact CB-CD2 4.41Å; E72-Y76 HydrophobicContact CB-CE2 4.45Å; E72-Y76 WeakPolarHBondContact O-CD2 3.33Å; E72-Y76 PolarHBondContact O-N 3.34Å; I73-Y76 PolarHBondContact O-N 2.75Å; Y76-G78 PolarHBondContact O-N 3.27Å; Y76-G78 VanDerWaalsContact O-N 3.1Å; Y76-A79 PolarHBondContact O-N 2.71Å; Y76-A79 VanDerWaalsContact O-N 3.17Å; Y76-N84 HydrophobicContact CD1-CB 3.89Å; Y76-N84 HydrophobicContact CE1-CB 3.26Å; Y76-P85 WeakPolarHBondContact CE1-O 3.21Å; Y76-P85 PolarHBondContact OH-O 2.92Å; Y76-P85 VanDerWaalsContact OH-O 3.07Å; Y76-H87 HydrophobicContact CD1-CB 4.47Å; Y76-H87 HydrophobicContact CD2-CB 4.3Å; Y76-H87 AromaticContact CD2-ND1 3.82Å; Y76-H87 HydrophobicContact CE1-CB 3.74Å; Y76-H87 HydrophobicContact CE2-CB 3.6Å; Y76-H87 AromaticContact CE2-CG 3.67Å; Y76-H87 AromaticContact CE2-ND1 3.58Å; Y76-H87 AromaticContact CZ-CG 3.91Å; Y76-H87 WeakPolarHBondContact OH-CB 3.49Å; Y76-Y89 HydrophobicContact CD2-CD2 4.21Å; Y76-A90 HydrophobicContact CD1-CB 3.61Å; Y76-A90 HydrophobicContact CE1-CB 3.93Å
77	Q	90.4	Very high	83.2	Confident	106 Å²	106	58.8 Å²	58.8	50%	0.495	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	111.1	-175.5	-169.6	175.7	19.5	0	0	113	I73 A79 D93 Y128 V132	I73-Q77 WeakPolarHBondContact O-CB 3.28Å; I73-Q77 PolarHBondContact O-N 2.95Å; Q77-A79 PolarHBondContact O-N 3.38Å; Q77-D93 WeakPolarHBondContact CA-OD1 3.49Å; Q77-Y128 VanDerWaalsContact CA-OH 3.23Å; Q77-Y128 WeakPolarHBondContact CA-OH 3.28Å; Q77-Y128 PolarHBondContact N-OH 3.26Å; Q77-V132 HydrophobicContact CG-CG1 4.11Å
78	G	78	Confident	83.7	Confident	48 Å²	48	56.7 Å²	56.7	50%	0.495	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-1.3	-179.7	0	0	0	0	0	115.6	Y76 D93	Y76-G78 PolarHBondContact O-N 3.27Å; Y76-G78 VanDerWaalsContact O-N 3.1Å; G78-D93 WeakPolarHBondContact CA-OD2 3.08Å; G78-D93 PolarHBondContact N-OD1 2.97Å; G78-D93 VanDerWaalsContact N-OD1 3.09Å; G78-D93 PolarHBondContact N-OD2 3.39Å
79	A	73.4	Confident	84.1	Confident	17 Å²	17	55.4 Å²	55.4	14%	0.14	28%	0.283	C	S	.	.			trans	-72	155	-178.2	0	0	0	0	0	112.5	Y76 Q77 N84 R97	Y76-A79 PolarHBondContact O-N 2.71Å; Y76-A79 VanDerWaalsContact O-N 3.17Å; Q77-A79 PolarHBondContact O-N 3.38Å; A79-N84 WeakPolarHBondContact CB-ND2 3.28Å; A79-R97 PolarHBondContact O-NH2 3.37Å
80	A	67.4	Low	84.5	Confident	19 Å²	19	54.5 Å²	54.5	16%	0.157	27%	0.272	C	S	.	.			trans	-77.5	149.9	167.5	0	0	0	0	0	111.1	Y82 E83	A80-Y82 HydrophobicContact CB-CD1 4.22Å; A80-Y82 HydrophobicContact CB-CD2 4.32Å; A80-Y82 HydrophobicContact CB-CE1 3.74Å; A80-Y82 HydrophobicContact CB-CE2 3.83Å; A80-Y82 HydrophobicContact CB-CG 4.5Å; A80-Y82 PolarHBondContact O-N 3.33Å; A80-E83 VanDerWaalsContact CB-CD 3.43Å; A80-E83 HydrophobicContact CB-CG 3.91Å; A80-E83 WeakPolarHBondContact CB-OE1 3.49Å; A80-E83 PolarHBondContact N-OE2 3.39Å; A80-E83 WeakPolarHBondContact O-CB 3.44Å; A80-E83 PolarHBondContact O-N 2.86Å
81	Q	66.1	Low	84.8	Confident	59 Å²	59	49.1 Å²	49.1	28%	0.276	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.7	-175.8	-171.2	179.9	-16	0	0	114.5	Y51 G53	Y51-Q81 HydrophobicContact CE1-CG 4.38Å; Y51-Q81 HydrophobicContact CE2-CG 3.84Å; G53-Q81 PolarHBondContact O-NE2 3.38Å; G53-Q81 VanDerWaalsContact O-NE2 3.11Å
82	Y	68.6	Low	85.1	Confident	90 Å²	90	40.6 Å²	40.6	35%	0.353	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-3.3	177.7	51.9	-98.6	0	0	0	114.2	A80 N84 R634 E687	A80-Y82 HydrophobicContact CB-CD1 4.22Å; A80-Y82 HydrophobicContact CB-CD2 4.32Å; A80-Y82 HydrophobicContact CB-CE1 3.74Å; A80-Y82 HydrophobicContact CB-CE2 3.83Å; A80-Y82 HydrophobicContact CB-CG 4.5Å; A80-Y82 PolarHBondContact O-N 3.33Å; Y82-N84 VanDerWaalsContact C-N 3.31Å; Y82-R634 PolarHBondContact OH-NH2 3.3Å; Y82-E687 HydrophobicContact CE2-CG 4.01Å; Y82-E687 PolarHBondContact OH-OE1 3.25Å
83	E	69.1	Low	85.2	Confident	95 Å²	95	40.2 Å²	40.2	44%	0.444	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19	176.8	-72.6	163.7	-172.3	0	0	111.4	A80	A80-E83 VanDerWaalsContact CB-CD 3.43Å; A80-E83 HydrophobicContact CB-CG 3.91Å; A80-E83 WeakPolarHBondContact CB-OE1 3.49Å; A80-E83 PolarHBondContact N-OE2 3.39Å; A80-E83 WeakPolarHBondContact O-CB 3.44Å; A80-E83 PolarHBondContact O-N 2.86Å
84	N	81.9	Confident	85.2	Confident	33 Å²	33	41 Å²	41	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-134	163.2	-178.4	-69.1	-46.9	0	0	0	111.6	M75 Y76 A79 Y82	M75-N84 HydrophobicContact CE-CB 4.09Å; M75-N84 WeakPolarHBondContact CE-OD1 3.28Å; M75-N84 WeakPolarHBondContact CG-OD1 3.4Å; M75-N84 PolarHBondContact O-ND2 3.35Å; Y76-N84 HydrophobicContact CD1-CB 3.89Å; Y76-N84 HydrophobicContact CE1-CB 3.26Å; A79-N84 WeakPolarHBondContact CB-ND2 3.28Å; Y82-N84 VanDerWaalsContact C-N 3.31Å
85	P	86.4	Confident	85.3	Confident	61 Å²	61	33.8 Å²	33.8	40%	0.396	18%	0.184	S	C	.	.			trans	-61.7	167.5	174.1	-22.7	34.8	0	0	0	114.1	Y76 H87	Y76-P85 WeakPolarHBondContact CE1-O 3.21Å; Y76-P85 PolarHBondContact OH-O 2.92Å; Y76-P85 VanDerWaalsContact OH-O 3.07Å; P85-H87 PolarHBondContact O-N 3.23Å
86	P	91.9	Very high	85.5	Confident	10 Å²	10	31.6 Å²	31.6	7%	0.065	17%	0.172	C	C	.	.	S	Bend	trans	-60.8	123.5	177.4	-21.4	32.5	0	0	0	112.2	D22 F49 Y51	D22-P86 HydrophobicContact CB-CG 3.64Å; D22-P86 VanDerWaalsContact O-CG 3.23Å; D22-P86 WeakPolarHBondContact O-CG 3.45Å; D22-P86 VanDerWaalsContact OD1-CD 3.23Å; D22-P86 WeakPolarHBondContact OD1-CD 3.37Å; F49-P86 HydrophobicContact CB-CB 4.16Å; F49-P86 WeakPolarHBondContact CB-O 3.47Å; Y51-P86 HydrophobicContact CD2-CB 3.77Å; Y51-P86 HydrophobicContact CD2-CG 3.74Å; Y51-P86 HydrophobicContact CE1-CB 4.44Å; Y51-P86 VanDerWaalsContact CE2-CA 3.47Å; Y51-P86 HydrophobicContact CE2-CB 3.68Å; Y51-P86 HydrophobicContact CE2-CG 3.93Å; Y51-P86 HydrophobicContact CG-CB 4.19Å; Y51-P86 HydrophobicContact CG-CG 4.42Å
87	H	94.2	Very high	85.3	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.032	18%	0.181	C	C	.	.			trans	-152	154	178	-157.8	-117.3	0	0	0	112.6	F49 Y51 Y67 F68 Y76 P85 Y89 A90	F49-H87 AromaticContact CD2-CD2 3.43Å; F49-H87 VanDerWaalsContact CD2-CD2 3.43Å; F49-H87 WeakPolarHBondContact CD2-CD2 3.45Å; F49-H87 AromaticContact CE2-CD2 3.41Å; F49-H87 VanDerWaalsContact CE2-CD2 3.41Å; F49-H87 WeakPolarHBondContact CE2-CD2 3.38Å; F49-H87 AromaticContact CE2-NE2 3.58Å; Y51-H87 PolarHBondContact OH-N 2.99Å; Y67-H87 AromaticContact CD2-NE2 3.59Å; Y67-H87 AromaticContact CE2-NE2 3.87Å; F68-H87 AromaticContact CD1-CE1 3.86Å; F68-H87 AromaticContact CD1-NE2 3.83Å; F68-H87 AromaticContact CE1-CE1 3.73Å; F68-H87 AromaticContact CE1-NE2 3.38Å; F68-H87 WeakPolarHBondContact CE1-NE2 3.41Å; Y76-H87 HydrophobicContact CD1-CB 4.47Å; Y76-H87 HydrophobicContact CD2-CB 4.3Å; Y76-H87 AromaticContact CD2-ND1 3.82Å; Y76-H87 HydrophobicContact CE1-CB 3.74Å; Y76-H87 HydrophobicContact CE2-CB 3.6Å; Y76-H87 AromaticContact CE2-CG 3.67Å; Y76-H87 AromaticContact CE2-ND1 3.58Å; Y76-H87 AromaticContact CZ-CG 3.91Å; Y76-H87 WeakPolarHBondContact OH-CB 3.49Å; P85-H87 PolarHBondContact O-N 3.23Å; H87-Y89 VanDerWaalsContact C-N 3.29Å; H87-Y89 AromaticContact CE1-CD2 3.43Å; H87-Y89 VanDerWaalsContact CE1-CD2 3.43Å; H87-Y89 WeakPolarHBondContact CE1-CD2 3.41Å; H87-Y89 AromaticContact CE1-CE2 3.73Å; H87-Y89 AromaticContact CE1-CG 3.6Å; H87-Y89 WeakPolarHBondContact ND1-CB 3.46Å; H87-Y89 AromaticContact ND1-CD2 3.47Å; H87-Y89 WeakPolarHBondContact ND1-CD2 3.37Å; H87-Y89 AromaticContact ND1-CG 3.37Å; H87-Y89 PolarHBondContact ND1-N 3.05Å; H87-Y89 PolarHBondContact O-N 3.47Å; H87-A90 WeakPolarHBondContact O-CB 3.43Å; H87-A90 PolarHBondContact O-N 2.92Å
88	I	95.4	Very high	85.1	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-30.2	177.3	-164.6	163.9	0	0	0	112.9	F49 L56 F68 L91 A92 A121 I125 I583	F49-I88 HydrophobicContact CE1-CB 4.01Å; F49-I88 HydrophobicContact CE2-CB 4.43Å; F49-I88 HydrophobicContact CE2-CG2 4.23Å; F49-I88 HydrophobicContact CZ-CB 3.78Å; F49-I88 HydrophobicContact CZ-CG2 3.78Å; L56-I88 HydrophobicContact CD2-CB 3.99Å; L56-I88 HydrophobicContact CD2-CG1 4.21Å; F68-I88 HydrophobicContact CE1-CG2 4.05Å; I88-L91 PolarHBondContact O-N 3.49Å; I88-A92 PolarHBondContact O-N 3.08Å; I88-A121 HydrophobicContact CD1-CB 3.57Å; I88-A121 WeakPolarHBondContact CD1-O 3.48Å; I88-I125 HydrophobicContact CD1-CD1 4.07Å; I88-I125 HydrophobicContact CD1-CG1 3.82Å; I88-I125 HydrophobicContact CG1-CD1 4.19Å; I88-I125 HydrophobicContact CG1-CG1 3.72Å; I88-I583 HydrophobicContact CD1-CD1 3.78Å; I88-I583 HydrophobicContact CG1-CD1 3.97Å
89	Y	95.1	Very high	85.8	Confident	11 Å²	11	28.7 Å²	28.7	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-34.6	174.8	-63.9	-13.6	0	0	0	112.6	F68 E72 I73 Y76 H87 L91 A92 D93 Y128	F68-Y89 HydrophobicContact CD1-CE1 4.34Å; F68-Y89 HydrophobicContact CD1-CE2 4.49Å; F68-Y89 AromaticContact CD1-CZ 3.94Å; E72-Y89 HydrophobicContact CB-CD2 4.04Å; E72-Y89 HydrophobicContact CB-CE2 4Å; I73-Y89 HydrophobicContact CG1-CD2 4.14Å; I73-Y89 HydrophobicContact CG1-CE2 3.72Å; Y76-Y89 HydrophobicContact CD2-CD2 4.21Å; H87-Y89 VanDerWaalsContact C-N 3.29Å; H87-Y89 AromaticContact CE1-CD2 3.43Å; H87-Y89 VanDerWaalsContact CE1-CD2 3.43Å; H87-Y89 WeakPolarHBondContact CE1-CD2 3.41Å; H87-Y89 AromaticContact CE1-CE2 3.73Å; H87-Y89 AromaticContact CE1-CG 3.6Å; H87-Y89 WeakPolarHBondContact ND1-CB 3.46Å; H87-Y89 AromaticContact ND1-CD2 3.47Å; H87-Y89 WeakPolarHBondContact ND1-CD2 3.37Å; H87-Y89 AromaticContact ND1-CG 3.37Å; H87-Y89 PolarHBondContact ND1-N 3.05Å; H87-Y89 PolarHBondContact O-N 3.47Å; Y89-L91 VanDerWaalsContact C-N 3.28Å; Y89-L91 PolarHBondContact O-N 3.08Å; Y89-A92 PolarHBondContact O-N 2.84Å; Y89-D93 VanDerWaalsContact O-CB 3.23Å; Y89-D93 WeakPolarHBondContact O-CB 3.44Å; Y89-D93 PolarHBondContact O-N 2.66Å; Y89-Y128 AromaticContact CD1-CD2 3.53Å; Y89-Y128 HydrophobicContact CD1-CD2 3.53Å; Y89-Y128 HydrophobicContact CD1-CE2 4.49Å; Y89-Y128 AromaticContact CD1-CG 3.89Å; Y89-Y128 HydrophobicContact CD1-CG 3.89Å; Y89-Y128 AromaticContact CD2-CD2 3.85Å; Y89-Y128 HydrophobicContact CD2-CD2 3.85Å; Y89-Y128 HydrophobicContact CD2-CE2 4.25Å; Y89-Y128 HydrophobicContact CE1-CD2 4.17Å; Y89-Y128 HydrophobicContact CE2-CD2 4.46Å; Y89-Y128 AromaticContact CG-CD2 3.36Å; Y89-Y128 HydrophobicContact CG-CD2 3.36Å; Y89-Y128 AromaticContact CG-CE2 3.91Å; Y89-Y128 HydrophobicContact CG-CE2 3.91Å; Y89-Y128 HydrophobicContact CG-CG 4.13Å
90	A	92.4	Very high	86.3	Confident	9 Å²	9	30.7 Å²	30.7	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-35.9	174.2	0	0	0	0	0	112.2	Y51 Y76 H87 N94	Y51-A90 WeakPolarHBondContact OH-CB 3.48Å; Y76-A90 HydrophobicContact CD1-CB 3.61Å; Y76-A90 HydrophobicContact CE1-CB 3.93Å; H87-A90 WeakPolarHBondContact O-CB 3.43Å; H87-A90 PolarHBondContact O-N 2.92Å; A90-N94 WeakPolarHBondContact O-CB 3.07Å; A90-N94 PolarHBondContact O-N 3.37Å; A90-N94 VanDerWaalsContact O-N 3.08Å
91	L	93.8	Very high	87	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-46.9	175.6	-176.9	152.9	0	0	0	110.7	L56 I88 Y89 D93 N94 M95 V108 H581 I583	L56-L91 HydrophobicContact CB-CD1 3.96Å; L56-L91 HydrophobicContact CD2-CD1 4.37Å; I88-L91 PolarHBondContact O-N 3.49Å; Y89-L91 VanDerWaalsContact C-N 3.28Å; Y89-L91 PolarHBondContact O-N 3.08Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 2.87Å; L91-N94 PolarHBondContact O-N 2.82Å; L91-M95 HydrophobicContact CD2-CG 4.29Å; L91-M95 HydrophobicContact CD2-SD 3.59Å; L91-M95 VanDerWaalsContact CD2-SD 3.59Å; L91-M95 WeakPolarHBondContact O-CG 3.09Å; L91-M95 PolarHBondContact O-N 3Å; L91-V108 HydrophobicContact CD2-CB 4.49Å; L91-V108 HydrophobicContact CD2-CG2 4Å; L91-H581 HydrophobicContact CD1-CB 4.48Å; L91-H581 HydrophobicContact CD2-CB 4.29Å; L91-H581 HydrophobicContact CG-CB 4.44Å; L91-I583 HydrophobicContact CD1-CD1 4.35Å; L91-I583 HydrophobicContact CD1-CG1 3.97Å; L91-I583 HydrophobicContact CD2-CD1 4.44Å
92	A	94.3	Very high	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-38.4	177.6	0	0	0	0	0	113	I88 Y89 Y96 I125 Y128 I129	I88-A92 PolarHBondContact O-N 3.08Å; Y89-A92 PolarHBondContact O-N 2.84Å; A92-Y96 WeakPolarHBondContact O-CB 3.44Å; A92-Y96 PolarHBondContact O-N 2.67Å; A92-I125 HydrophobicContact CB-CG2 4.17Å; A92-Y128 HydrophobicContact CB-CD1 3.52Å; A92-Y128 HydrophobicContact CB-CE1 4.27Å; A92-Y128 HydrophobicContact CB-CG 4.01Å; A92-I129 HydrophobicContact CB-CG1 4.4Å
93	D	92.8	Very high	88.3	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-40.5	175	-168.4	74.2	0	0	0	112.7	Q77 G78 Y89 L91 Y96 R97 Y128	Q77-D93 WeakPolarHBondContact CA-OD1 3.49Å; G78-D93 WeakPolarHBondContact CA-OD2 3.08Å; G78-D93 PolarHBondContact N-OD1 2.97Å; G78-D93 VanDerWaalsContact N-OD1 3.09Å; G78-D93 PolarHBondContact N-OD2 3.39Å; Y89-D93 VanDerWaalsContact O-CB 3.23Å; Y89-D93 WeakPolarHBondContact O-CB 3.44Å; Y89-D93 PolarHBondContact O-N 2.66Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 2.87Å; D93-Y96 PolarHBondContact O-N 3.09Å; D93-R97 WeakPolarHBondContact O-CB 3.16Å; D93-R97 PolarHBondContact O-N 3.4Å; D93-R97 IonicContact OD2-CZ 2.79Å; D93-R97 IonicContact OD2-NE 3.61Å; D93-R97 PolarHBondContact OD2-NE 2.82Å; D93-R97 IonicContact OD2-NH2 2.64Å; D93-R97 PolarHBondContact OD2-NH2 2.9Å; D93-Y128 HydrophobicContact CB-CE1 3.67Å; D93-Y128 WeakPolarHBondContact CB-OH 3.49Å; D93-Y128 PolarHBondContact OD1-OH 3.11Å
94	N	89.5	Confident	89	Confident	36 Å²	36	40.4 Å²	40.4	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.3	-171.4	-20	0	0	0	110.7	A90 L91 N98	A90-N94 WeakPolarHBondContact O-CB 3.07Å; A90-N94 PolarHBondContact O-N 3.37Å; A90-N94 VanDerWaalsContact O-N 3.08Å; L91-N94 PolarHBondContact O-N 2.82Å; N94-N98 WeakPolarHBondContact O-CB 3.13Å; N94-N98 PolarHBondContact O-N 3.44Å; N94-N98 PolarHBondContact O-ND2 2.91Å; N94-N98 PolarHBondContact O-OD1 3.39Å; N94-N98 PolarHBondContact OD1-ND2 3.35Å
95	M	92.1	Very high	89.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-57.1	171.6	-68.7	175.7	79.6	0	0	111.8	L91 R97 N98 M99 Q106 C107 V108 I384 H581	L91-M95 HydrophobicContact CD2-CG 4.29Å; L91-M95 HydrophobicContact CD2-SD 3.59Å; L91-M95 VanDerWaalsContact CD2-SD 3.59Å; L91-M95 WeakPolarHBondContact O-CG 3.09Å; L91-M95 PolarHBondContact O-N 3Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.19Å; M95-N98 PolarHBondContact O-N 3.03Å; M95-M99 PolarHBondContact O-N 3.26Å; M95-Q106 HydrophobicContact CB-CB 4.33Å; M95-Q106 HydrophobicContact CB-CG 4.45Å; M95-Q106 HydrophobicContact CE-CB 3.97Å; M95-Q106 WeakPolarHBondContact O-CG 3.48Å; M95-C107 VanDerWaalsContact CE-C 3.48Å; M95-V108 HydrophobicContact CE-CB 3.74Å; M95-V108 HydrophobicContact CE-CG1 3.96Å; M95-V108 HydrophobicContact SD-CB 3.83Å; M95-V108 HydrophobicContact SD-CG1 4.15Å; M95-I384 HydrophobicContact CE-CG2 3.57Å; M95-H581 HydrophobicContact CG-CB 4.37Å; M95-H581 HydrophobicContact SD-CB 4.31Å
96	Y	92	Very high	89.8	Confident	34 Å²	34	38.4 Å²	38.4	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-40.7	-176.6	179.5	-110.8	0	0	0	112.2	A92 D93 M99 M100 V132 F178 G182 I384	A92-Y96 WeakPolarHBondContact O-CB 3.44Å; A92-Y96 PolarHBondContact O-N 2.67Å; D93-Y96 PolarHBondContact O-N 3.09Å; Y96-M99 HydrophobicContact CD2-CE 3.89Å; Y96-M99 HydrophobicContact CE2-CE 4Å; Y96-M100 HydrophobicContact CE2-CG 4.23Å; Y96-M100 WeakPolarHBondContact O-CG 3.29Å; Y96-M100 PolarHBondContact O-N 3.39Å; Y96-M100 VanDerWaalsContact O-N 3.14Å; Y96-V132 HydrophobicContact CD1-CG2 3.88Å; Y96-V132 HydrophobicContact CE1-CG2 4.12Å; Y96-V132 HydrophobicContact CG-CG2 4.34Å; Y96-F178 HydrophobicContact CD2-CE1 4.39Å; Y96-F178 HydrophobicContact CE2-CD1 4.46Å; Y96-F178 HydrophobicContact CE2-CE1 4.14Å; Y96-G182 PolarHBondContact OH-O 2.94Å; Y96-I384 HydrophobicContact CD2-CD1 4.3Å
97	R	87.6	Confident	89.9	Confident	66 Å²	66	37.9 Å²	37.9	25%	0.249	18%	0.177	C	C	.	.	H	α-helix	trans	-69	-41.4	175.4	-79.6	-171.7	-72.6	113.2	-3.4	113.8	A79 D93 M95 M99 M100 I101	A79-R97 PolarHBondContact O-NH2 3.37Å; D93-R97 WeakPolarHBondContact O-CB 3.16Å; D93-R97 PolarHBondContact O-N 3.4Å; D93-R97 IonicContact OD2-CZ 2.79Å; D93-R97 IonicContact OD2-NE 3.61Å; D93-R97 PolarHBondContact OD2-NE 2.82Å; D93-R97 IonicContact OD2-NH2 2.64Å; D93-R97 PolarHBondContact OD2-NH2 2.9Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.19Å; R97-M99 VanDerWaalsContact C-N 3.34Å; R97-M100 PolarHBondContact O-N 3.28Å; R97-I101 HydrophobicContact CB-CD1 4.12Å; R97-I101 VanDerWaalsContact O-CB 3.26Å; R97-I101 WeakPolarHBondContact O-CB 3.42Å; R97-I101 WeakPolarHBondContact O-CD1 2.81Å; R97-I101 WeakPolarHBondContact O-CG1 3.4Å; R97-I101 PolarHBondContact O-N 3.09Å
98	N	85.4	Confident	89.8	Confident	40 Å²	40	37.6 Å²	37.6	21%	0.214	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-42.1	179.1	-64.3	-15.7	0	0	0	110.9	N94 M95 M100 I101 D102	N94-N98 WeakPolarHBondContact O-CB 3.13Å; N94-N98 PolarHBondContact O-N 3.44Å; N94-N98 PolarHBondContact O-ND2 2.91Å; N94-N98 PolarHBondContact O-OD1 3.39Å; N94-N98 PolarHBondContact OD1-ND2 3.35Å; M95-N98 PolarHBondContact O-N 3.03Å; N98-M100 VanDerWaalsContact C-N 3.32Å; N98-M100 PolarHBondContact O-N 3.14Å; N98-I101 PolarHBondContact O-N 3.43Å; N98-D102 PolarHBondContact O-N 3.17Å
99	M	91.8	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.5	-46.9	172	-174	-167.2	70.2	0	0	111.6	M95 Y96 R97 R103 E104 Q106 F178 L382 I384	M95-M99 PolarHBondContact O-N 3.26Å; Y96-M99 HydrophobicContact CD2-CE 3.89Å; Y96-M99 HydrophobicContact CE2-CE 4Å; R97-M99 VanDerWaalsContact C-N 3.34Å; M99-R103 WeakPolarHBondContact O-CA 3.39Å; M99-R103 PolarHBondContact O-N 2.84Å; M99-E104 WeakPolarHBondContact CA-O 3.39Å; M99-Q106 HydrophobicContact CB-CG 3.92Å; M99-F178 HydrophobicContact CE-CB 4.03Å; M99-F178 HydrophobicContact CE-CD1 3.89Å; M99-F178 HydrophobicContact CE-CD2 3.7Å; M99-F178 HydrophobicContact CE-CE1 4.25Å; M99-F178 HydrophobicContact CE-CE2 4.11Å; M99-F178 HydrophobicContact CE-CG 3.58Å; M99-F178 HydrophobicContact CE-CZ 4.36Å; M99-F178 HydrophobicContact SD-CB 4.37Å; M99-F178 HydrophobicContact SD-CD2 3.45Å; M99-F178 WeakPolarHBondContact SD-CD2 3.42Å; M99-F178 HydrophobicContact SD-CE2 3.86Å; M99-F178 HydrophobicContact SD-CG 3.94Å; M99-L382 HydrophobicContact CG-CB 3.97Å; M99-L382 HydrophobicContact CG-CD1 4.19Å; M99-L382 HydrophobicContact CG-CD2 4.27Å; M99-L382 HydrophobicContact CG-CG 4.37Å; M99-L382 HydrophobicContact SD-CB 3.94Å; M99-I384 HydrophobicContact CE-CD1 4.29Å; M99-I384 HydrophobicContact SD-CD1 3.93Å; M99-I384 HydrophobicContact SD-CG1 3.62Å
100	M	85.6	Confident	89.4	Confident	60 Å²	60	37.2 Å²	37.2	30%	0.296	17%	0.174	S	C	.	.	H	α-helix	trans	-75.2	-29.4	-178.6	-71	-56.5	-65.9	0	0	114.6	Y96 R97 N98 G181 G182	Y96-M100 HydrophobicContact CE2-CG 4.23Å; Y96-M100 WeakPolarHBondContact O-CG 3.29Å; Y96-M100 PolarHBondContact O-N 3.39Å; Y96-M100 VanDerWaalsContact O-N 3.14Å; R97-M100 PolarHBondContact O-N 3.28Å; N98-M100 VanDerWaalsContact C-N 3.32Å; N98-M100 PolarHBondContact O-N 3.14Å; M100-G181 VanDerWaalsContact CE-C 3.5Å; M100-G181 WeakPolarHBondContact CE-O 3.2Å; M100-G182 WeakPolarHBondContact SD-CA 3.27Å
101	I	81.8	Confident	89.2	Confident	113 Å²	113	37.1 Å²	37.1	58%	0.579	17%	0.173	S	C	*	.	H	α-helix	trans	-89.8	-53.3	-174.2	-68.8	167.2	0	0	0	111.8	R97 N98	R97-I101 HydrophobicContact CB-CD1 4.12Å; R97-I101 VanDerWaalsContact O-CB 3.26Å; R97-I101 WeakPolarHBondContact O-CB 3.42Å; R97-I101 WeakPolarHBondContact O-CD1 2.81Å; R97-I101 WeakPolarHBondContact O-CG1 3.4Å; R97-I101 PolarHBondContact O-N 3.09Å; N98-I101 PolarHBondContact O-N 3.43Å
102	D	77.8	Confident	88.8	Confident	75 Å²	75	36.8 Å²	36.8	40%	0.401	17%	0.172	S	C	.	.	H	α-helix	trans	-96.3	-6.1	-174.1	-61.7	-73	0	0	0	111.6	N98 E104 K630	N98-D102 PolarHBondContact O-N 3.17Å; D102-E104 VanDerWaalsContact C-N 3.34Å; D102-E104 PolarHBondContact O-N 3.04Å; D102-K630 IonicContact OD1-NZ 3Å; D102-K630 PolarHBondContact OD1-NZ 3.17Å
103	R	82.9	Confident	88.2	Confident	169 Å²	169	37.5 Å²	37.5	64%	0.638	18%	0.176	S	C	*	.			trans	60.9	34.7	178.6	-66.8	-171.9	169.8	-144	-6.9	114.6	M99 L382	M99-R103 WeakPolarHBondContact O-CA 3.39Å; M99-R103 PolarHBondContact O-N 2.84Å; R103-L382 HydrophobicContact CB-CD2 4.32Å
104	E	85.3	Confident	87.5	Confident	110 Å²	110	38.3 Å²	38.3	51%	0.514	18%	0.182	S	C	.	.			trans	-107.5	135	177.1	-65.9	-179.8	-175.3	0	0	111.3	M99 D102 Q106 T579	M99-E104 WeakPolarHBondContact CA-O 3.39Å; D102-E104 VanDerWaalsContact C-N 3.34Å; D102-E104 PolarHBondContact O-N 3.04Å; E104-Q106 PolarHBondContact O-NE2 2.74Å; E104-T579 PolarHBondContact OE2-OG1 2.66Å
105	N	91.3	Very high	87	Confident	49 Å²	49	37.5 Å²	37.5	26%	0.262	18%	0.181	S	C	.	.			trans	-56.4	139.5	171.2	-71.7	-26.3	0	0	0	111	L382 N383 C578 T579	N105-L382 WeakPolarHBondContact OD1-CA 3.5Å; N105-N383 WeakPolarHBondContact CB-OD1 3.37Å; N105-N383 PolarHBondContact OD1-N 3.24Å; N105-N383 PolarHBondContact OD1-OD1 2.85Å; N105-C578 HydrophobicContact CB-CB 4.3Å; N105-C578 CarbonylContact O-C 3.5Å; N105-C578 VanDerWaalsContact O-CA 3.23Å; N105-C578 WeakPolarHBondContact O-CA 3.23Å; N105-T579 PolarHBondContact O-N 3.38Å; N105-T579 PolarHBondContact O-OG1 3.06Å
106	Q	93.5	Very high	86.8	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.6	-179.9	-53.4	-66.4	-66.8	0	0	110.1	M95 M99 E104 N383 I384 G385 T579 H581	M95-Q106 HydrophobicContact CB-CB 4.33Å; M95-Q106 HydrophobicContact CB-CG 4.45Å; M95-Q106 HydrophobicContact CE-CB 3.97Å; M95-Q106 WeakPolarHBondContact O-CG 3.48Å; M99-Q106 HydrophobicContact CB-CG 3.92Å; E104-Q106 PolarHBondContact O-NE2 2.74Å; Q106-N383 PolarHBondContact N-O 3.25Å; Q106-N383 VanDerWaalsContact N-O 3.08Å; Q106-I384 HydrophobicContact CB-CG1 4.4Å; Q106-I384 CarbonylContact O-C 3.51Å; Q106-I384 WeakPolarHBondContact O-CA 3.38Å; Q106-G385 PolarHBondContact O-N 2.67Å; Q106-T579 PolarHBondContact NE2-OG1 2.87Å; Q106-H581 PolarHBondContact OE1-NE2 3.32Å
107	C	93.1	Very high	86.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.4	167.9	71.4	0	0	0	0	111.7	M95 G385 L575 C578 T579 P580 H581	M95-C107 VanDerWaalsContact CE-C 3.48Å; C107-G385 CarbonylContact C-O 3.6Å; C107-G385 VanDerWaalsContact CA-O 3.26Å; C107-G385 WeakPolarHBondContact CA-O 3.3Å; C107-L575 HydrophobicContact CB-CD2 4.27Å; C107-C578 HydrophobicContact CB-CB 3.79Å; C107-T579 PolarHBondContact N-O 2.57Å; C107-P580 CarbonylContact O-C 3.54Å; C107-H581 PolarHBondContact O-CD2 2.82Å; C107-H581 PolarHBondContact O-N 2.82Å
108	V	93.3	Very high	86.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129	171.2	61.2	0	0	0	0	110.7	L91 M95 I110 I125 G385 V386 L387 H581 I583	L91-V108 HydrophobicContact CD2-CB 4.49Å; L91-V108 HydrophobicContact CD2-CG2 4Å; M95-V108 HydrophobicContact CE-CB 3.74Å; M95-V108 HydrophobicContact CE-CG1 3.96Å; M95-V108 HydrophobicContact SD-CB 3.83Å; M95-V108 HydrophobicContact SD-CG1 4.15Å; V108-I110 HydrophobicContact CG2-CG1 4.16Å; V108-I125 HydrophobicContact CG1-CD1 3.84Å; V108-I125 HydrophobicContact CG2-CD1 4.19Å; V108-G385 PolarHBondContact N-O 2.64Å; V108-V386 HydrophobicContact CG1-CB 4.16Å; V108-V386 HydrophobicContact CG1-CG1 3.94Å; V108-V386 HydrophobicContact CG1-CG2 4.01Å; V108-L387 PolarHBondContact O-N 2.84Å; V108-H581 CarbonylContact C-O 3.47Å; V108-H581 WeakPolarHBondContact CA-O 3.1Å; V108-H581 HydrophobicContact CB-CB 4.27Å; V108-H581 HydrophobicContact CG2-CB 4.29Å; V108-I583 HydrophobicContact CG2-CD1 4.06Å; V108-I583 HydrophobicContact CG2-CG1 3.9Å
109	I	90.9	Very high	86.5	Confident	4 Å²	4	34 Å²	34	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.4	179.7	-65.5	166.6	0	0	0	108.1	L387 L575 H581 Y582 I583	I109-L387 HydrophobicContact CG1-CB 4.49Å; I109-L387 HydrophobicContact CG1-CD2 4.28Å; I109-L387 HydrophobicContact CG2-CD2 4.38Å; I109-L575 HydrophobicContact CD1-CD1 4.11Å; I109-L575 HydrophobicContact CD1-CD2 4.26Å; I109-L575 HydrophobicContact CG1-CD2 4.22Å; I109-H581 PolarHBondContact N-O 3.08Å; I109-Y582 HydrophobicContact CB-CD1 3.88Å; I109-Y582 HydrophobicContact CB-CE1 4Å; I109-Y582 HydrophobicContact CD1-CD1 4.38Å; I109-Y582 HydrophobicContact CD1-CE1 3.62Å; I109-Y582 HydrophobicContact CG1-CE1 4.35Å; I109-Y582 HydrophobicContact CG2-CD1 4.21Å; I109-Y582 HydrophobicContact CG2-CE1 4.31Å; I109-I583 PolarHBondContact O-N 2.82Å
110	I	91	Very high	86.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.7	-178.2	-48.4	178.7	0	0	0	108.5	V108 K118 A121 A122 I125 V386 L387 I583	V108-I110 HydrophobicContact CG2-CG1 4.16Å; I110-K118 HydrophobicContact CG2-CB 3.71Å; I110-K118 HydrophobicContact CG2-CG 4.01Å; I110-A121 HydrophobicContact CD1-CB 4.34Å; I110-A121 HydrophobicContact CG2-CB 4.3Å; I110-A122 HydrophobicContact CD1-CB 3.86Å; I110-I125 HydrophobicContact CD1-CD1 4.02Å; I110-V386 HydrophobicContact CD1-CG1 3.99Å; I110-L387 WeakPolarHBondContact CB-O 3.34Å; I110-L387 PolarHBondContact N-O 3.07Å; I110-I583 HydrophobicContact CG1-CB 4.33Å; I110-I583 HydrophobicContact CG1-CD1 4.38Å; I110-I583 HydrophobicContact CG2-CB 4.24Å; I110-I583 HydrophobicContact CG2-CG2 4.37Å
111	S	87.6	Confident	86.5	Confident	8 Å²	8	34.8 Å²	34.8	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.4	-171.2	57.9	0	0	0	0	111.8	I583 R584 C585	S111-I583 PolarHBondContact N-O 2.83Å; S111-I583 PolarHBondContact OG-O 3.39Å; S111-R584 WeakPolarHBondContact OG-CD 3.41Å; S111-R584 PolarHBondContact OG-NH1 3.07Å; S111-C585 WeakPolarHBondContact O-CB 3.08Å; S111-C585 PolarHBondContact O-N 3.4Å
112	G	86.4	Confident	86.8	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.031	16%	0.156	C	C	.	.			trans	139	168.6	-171.9	0	0	0	0	0	111.5	K118 G391 C585	G112-K118 PolarHBondContact O-NZ 3.48Å; G112-G391 WeakPolarHBondContact O-CA 3.29Å; G112-C585 WeakPolarHBondContact CA-O 3.41Å
113	E	80.6	Confident	87.1	Confident	15 Å²	15	29.5 Å²	29.5	7%	0.07	15%	0.152	C	C	.	.	S	Bend	trans	-67.8	171.9	-177.8	57.9	174.4	-118.6	0	0	113.7	A116 K118 K587 R601 Y608	E113-A116 HydrophobicContact CG-CB 4.23Å; E113-A116 VanDerWaalsContact O-CB 3.23Å; E113-A116 WeakPolarHBondContact O-CB 3.42Å; E113-A116 PolarHBondContact O-N 2.94Å; E113-K118 PolarHBondContact O-NZ 3.27Å; E113-K587 HydrophobicContact CG-CB 3.96Å; E113-K587 WeakPolarHBondContact OE1-CB 3.45Å; E113-K587 WeakPolarHBondContact OE1-CD 3.31Å; E113-R601 IonicContact OE1-CZ 3.38Å; E113-R601 VanDerWaalsContact OE1-CZ 3.24Å; E113-R601 IonicContact OE1-NE 3.24Å; E113-R601 PolarHBondContact OE1-NE 2.68Å; E113-R601 IonicContact OE1-NH2 2.79Å; E113-R601 PolarHBondContact OE1-NH2 2.72Å; E113-R601 IonicContact OE2-CZ 2.78Å; E113-R601 IonicContact OE2-NE 3.56Å; E113-R601 IonicContact OE2-NH2 2.64Å; E113-R601 PolarHBondContact OE2-NH2 2.95Å; E113-Y608 WeakPolarHBondContact CB-OH 3.39Å; E113-Y608 PolarHBondContact N-OH 2.82Å; E113-Y608 VanDerWaalsContact N-OH 3.09Å
114	S	77.6	Confident	87.5	Confident	21 Å²	21	23.8 Å²	23.8	15%	0.147	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	136.3	174.5	-166.2	0	0	0	0	110.6	A116 N164 S167	S114-A116 VanDerWaalsContact C-N 3.32Å; S114-N164 WeakPolarHBondContact OG-CB 3.46Å; S114-N164 PolarHBondContact OG-ND2 2.8Å; S114-N164 VanDerWaalsContact OG-ND2 3.1Å; S114-S167 PolarHBondContact OG-OG 2.78Å
115	G	79.1	Confident	87.8	Confident	18 Å²	18	18.5 Å²	18.5	19%	0.186	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-1.8	-170.9	0	0	0	0	0	115.5	N60 G117	N60-G115 PolarHBondContact ND2-O 2.84Å; G115-G117 PolarHBondContact O-N 3.2Å
116	A	87.9	Confident	87.4	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.008	10%	0.096	C	C	.	.	S	Bend	trans	-74	-4.7	178.5	0	0	0	0	0	115	E113 S114 C585 K587	E113-A116 HydrophobicContact CG-CB 4.23Å; E113-A116 VanDerWaalsContact O-CB 3.23Å; E113-A116 WeakPolarHBondContact O-CB 3.42Å; E113-A116 PolarHBondContact O-N 2.94Å; S114-A116 VanDerWaalsContact C-N 3.32Å; A116-C585 HydrophobicContact CB-CB 3.78Å; A116-C585 WeakPolarHBondContact O-CB 3.28Å; A116-K587 HydrophobicContact CB-CB 4.25Å
117	G	88.4	Confident	87	Confident	20 Å²	20	17.9 Å²	17.9	21%	0.206	11%	0.111	C	C	.	.	S	Bend	trans	96.3	10.7	174.3	0	0	0	0	0	116.9	G115 T119 V120 A121	G115-G117 PolarHBondContact O-N 3.2Å; G117-T119 PolarHBondContact O-N 3.31Å; G117-V120 WeakPolarHBondContact O-CA 3.29Å; G117-V120 WeakPolarHBondContact O-CB 3.32Å; G117-V120 PolarHBondContact O-N 3.4Å; G117-A121 PolarHBondContact O-N 2.86Å
118	K	87.8	Confident	86.8	Confident	18 Å²	18	17.9 Å²	17.9	8%	0.078	11%	0.111	C	C	.	.	H	α-helix	trans	-48.7	-52.1	-177.7	-58.8	-178.1	-71.4	-91.2	0	114.2	I110 G112 E113 V120 A121 A122 D388 I389 C585	I110-K118 HydrophobicContact CG2-CB 3.71Å; I110-K118 HydrophobicContact CG2-CG 4.01Å; G112-K118 PolarHBondContact O-NZ 3.48Å; E113-K118 PolarHBondContact O-NZ 3.27Å; K118-V120 VanDerWaalsContact C-N 3.25Å; K118-V120 PolarHBondContact O-N 2.97Å; K118-A121 WeakPolarHBondContact O-CB 3.48Å; K118-A121 PolarHBondContact O-N 3.17Å; K118-A121 VanDerWaalsContact O-N 3.12Å; K118-A122 PolarHBondContact O-N 2.96Å; K118-D388 WeakPolarHBondContact CB-OD1 3.45Å; K118-I389 WeakPolarHBondContact CD-O 3.34Å; K118-I389 WeakPolarHBondContact CE-O 3.26Å; K118-C585 HydrophobicContact CG-CB 4.13Å
119	T	82.8	Confident	86.5	Confident	27 Å²	27	18 Å²	18	17%	0.166	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-28.2	179.7	-45.9	0	0	0	0	113.2	G117 K123 D388	G117-T119 PolarHBondContact O-N 3.31Å; T119-K123 VanDerWaalsContact O-CG 3.31Å; T119-K123 WeakPolarHBondContact O-CG 3.44Å; T119-K123 PolarHBondContact O-N 3.32Å; T119-D388 VanDerWaalsContact CA-OD2 3.29Å; T119-D388 WeakPolarHBondContact CA-OD2 3.41Å; T119-D388 VanDerWaalsContact CB-OD2 3.24Å; T119-D388 WeakPolarHBondContact CB-OD2 3.45Å; T119-D388 WeakPolarHBondContact CG2-OD2 3.38Å; T119-D388 PolarHBondContact OG1-OD2 3.46Å
120	V	85.9	Confident	86	Confident	74 Å²	74	19.2 Å²	19.2	45%	0.448	12%	0.12	S	C	.	.	H	α-helix	trans	-73.7	-40.7	174.4	-178.6	0	0	0	0	110.3	G117 K118 A122 K123 Y124	G117-V120 WeakPolarHBondContact O-CA 3.29Å; G117-V120 WeakPolarHBondContact O-CB 3.32Å; G117-V120 PolarHBondContact O-N 3.4Å; K118-V120 VanDerWaalsContact C-N 3.25Å; K118-V120 PolarHBondContact O-N 2.97Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 2.84Å; V120-K123 PolarHBondContact O-N 3.43Å; V120-Y124 HydrophobicContact CG1-CD2 4.06Å; V120-Y124 HydrophobicContact CG1-CE2 3.5Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.5Å; V120-Y124 WeakPolarHBondContact O-CD2 3.39Å; V120-Y124 PolarHBondContact O-N 2.72Å
121	A	91.3	Very high	85.6	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-42.3	171.3	0	0	0	0	0	111.8	I88 I110 G117 K118 Y124 I125	I88-A121 HydrophobicContact CD1-CB 3.57Å; I88-A121 WeakPolarHBondContact CD1-O 3.48Å; I110-A121 HydrophobicContact CD1-CB 4.34Å; I110-A121 HydrophobicContact CG2-CB 4.3Å; G117-A121 PolarHBondContact O-N 2.86Å; K118-A121 WeakPolarHBondContact O-CB 3.48Å; K118-A121 PolarHBondContact O-N 3.17Å; K118-A121 VanDerWaalsContact O-N 3.12Å; A121-Y124 PolarHBondContact O-N 2.85Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 3.34Å
122	A	88.2	Confident	85.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-49.5	172.4	0	0	0	0	0	111.9	I110 K118 V120 Y124 I125 M126 V386 D388	I110-A122 HydrophobicContact CD1-CB 3.86Å; K118-A122 PolarHBondContact O-N 2.96Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 2.84Å; A122-Y124 VanDerWaalsContact C-N 3.31Å; A122-Y124 PolarHBondContact O-N 2.98Å; A122-I125 PolarHBondContact O-N 3.4Å; A122-M126 HydrophobicContact CB-CE 4.43Å; A122-M126 WeakPolarHBondContact O-CG 3.4Å; A122-M126 PolarHBondContact O-N 2.95Å; A122-V386 HydrophobicContact CB-CG1 3.93Å; A122-D388 HydrophobicContact CB-CB 4.47Å
123	K	84.8	Confident	85.3	Confident	77 Å²	77	25.1 Å²	25.1	34%	0.335	15%	0.146	S	C	.	.	H	α-helix	trans	-58.7	-38.2	177.7	-73.6	172.4	-177.9	175.8	0	112.1	T119 V120 M126 G127 E154	T119-K123 VanDerWaalsContact O-CG 3.31Å; T119-K123 WeakPolarHBondContact O-CG 3.44Å; T119-K123 PolarHBondContact O-N 3.32Å; V120-K123 PolarHBondContact O-N 3.43Å; K123-M126 HydrophobicContact CG-CE 4.23Å; K123-G127 PolarHBondContact O-N 2.85Å; K123-E154 WeakPolarHBondContact CE-OE1 3.34Å; K123-E154 IonicContact NZ-OE1 2.67Å; K123-E154 PolarHBondContact NZ-OE1 3.47Å; K123-E154 IonicContact NZ-OE2 2.62Å
124	Y	90.3	Very high	84.9	Confident	49 Å²	49	26.4 Å²	26.4	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-38.4	174.2	-69.8	-41.4	0	0	0	114.3	F68 V120 A121 A122 Y128	F68-Y124 HydrophobicContact CB-CE1 3.98Å; F68-Y124 AromaticContact CD1-CD1 3.97Å; F68-Y124 HydrophobicContact CD1-CD1 3.97Å; F68-Y124 HydrophobicContact CD1-CD2 4.18Å; F68-Y124 AromaticContact CD1-CE1 3.87Å; F68-Y124 HydrophobicContact CD1-CE1 3.87Å; F68-Y124 HydrophobicContact CD1-CE2 4.06Å; F68-Y124 HydrophobicContact CD1-CG 4.15Å; F68-Y124 AromaticContact CD1-CZ 3.93Å; F68-Y124 AromaticContact CD2-CE1 3.92Å; F68-Y124 HydrophobicContact CD2-CE1 3.92Å; F68-Y124 AromaticContact CD2-CE2 3.98Å; F68-Y124 HydrophobicContact CD2-CE2 3.98Å; F68-Y124 AromaticContact CD2-CZ 3.46Å; F68-Y124 VanDerWaalsContact CD2-CZ 3.46Å; F68-Y124 VanDerWaalsContact CD2-OH 3.26Å; F68-Y124 WeakPolarHBondContact CD2-OH 3.37Å; F68-Y124 HydrophobicContact CE1-CD1 4.35Å; F68-Y124 AromaticContact CE1-CD2 3.71Å; F68-Y124 HydrophobicContact CE1-CD2 3.71Å; F68-Y124 HydrophobicContact CE1-CE1 4.3Å; F68-Y124 AromaticContact CE1-CE2 3.64Å; F68-Y124 HydrophobicContact CE1-CE2 3.64Å; F68-Y124 HydrophobicContact CE1-CG 4.09Å; F68-Y124 AromaticContact CE1-CZ 3.98Å; F68-Y124 HydrophobicContact CE2-CD2 4.43Å; F68-Y124 HydrophobicContact CE2-CE1 4.34Å; F68-Y124 AromaticContact CE2-CE2 3.54Å; F68-Y124 HydrophobicContact CE2-CE2 3.54Å; F68-Y124 AromaticContact CE2-CZ 3.5Å; F68-Y124 VanDerWaalsContact CE2-CZ 3.5Å; F68-Y124 WeakPolarHBondContact CE2-OH 3.37Å; F68-Y124 HydrophobicContact CG-CD1 4.21Å; F68-Y124 AromaticContact CG-CE1 3.66Å; F68-Y124 HydrophobicContact CG-CE1 3.66Å; F68-Y124 HydrophobicContact CG-CE2 4.22Å; F68-Y124 AromaticContact CG-CZ 3.68Å; F68-Y124 AromaticContact CZ-CD2 3.85Å; F68-Y124 HydrophobicContact CZ-CD2 3.85Å; F68-Y124 AromaticContact CZ-CE2 3.35Å; F68-Y124 HydrophobicContact CZ-CE2 3.35Å; F68-Y124 AromaticContact CZ-CZ 3.77Å; V120-Y124 HydrophobicContact CG1-CD2 4.06Å; V120-Y124 HydrophobicContact CG1-CE2 3.5Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.5Å; V120-Y124 WeakPolarHBondContact O-CD2 3.39Å; V120-Y124 PolarHBondContact O-N 2.72Å; A121-Y124 PolarHBondContact O-N 2.85Å; A122-Y124 VanDerWaalsContact C-N 3.31Å; A122-Y124 PolarHBondContact O-N 2.98Å; Y124-Y128 WeakPolarHBondContact O-CB 3.39Å; Y124-Y128 PolarHBondContact O-N 3.42Å
125	I	91.3	Very high	84.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-47.6	176.2	-67.7	165.2	0	0	0	110.2	I88 A92 V108 I110 A121 A122 G127 Y128 I129 V386 I583	I88-I125 HydrophobicContact CD1-CD1 4.07Å; I88-I125 HydrophobicContact CD1-CG1 3.82Å; I88-I125 HydrophobicContact CG1-CD1 4.19Å; I88-I125 HydrophobicContact CG1-CG1 3.72Å; A92-I125 HydrophobicContact CB-CG2 4.17Å; V108-I125 HydrophobicContact CG1-CD1 3.84Å; V108-I125 HydrophobicContact CG2-CD1 4.19Å; I110-I125 HydrophobicContact CD1-CD1 4.02Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 3.34Å; A122-I125 PolarHBondContact O-N 3.4Å; I125-G127 PolarHBondContact O-N 3.47Å; I125-Y128 PolarHBondContact O-N 3.34Å; I125-I129 HydrophobicContact CG2-CD1 3.66Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 WeakPolarHBondContact O-CB 3.37Å; I125-I129 WeakPolarHBondContact O-CG1 3.42Å; I125-I129 PolarHBondContact O-N 2.87Å; I125-V386 HydrophobicContact CG2-CG2 4.35Å; I125-I583 HydrophobicContact CD1-CD1 3.63Å
126	M	84.1	Confident	83.9	Confident	7 Å²	7	28.5 Å²	28.5	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-42.9	177.5	-65.3	-173.9	-67.2	0	0	111.5	A122 K123 S130 I146 F174 I176	A122-M126 HydrophobicContact CB-CE 4.43Å; A122-M126 WeakPolarHBondContact O-CG 3.4Å; A122-M126 PolarHBondContact O-N 2.95Å; K123-M126 HydrophobicContact CG-CE 4.23Å; M126-S130 WeakPolarHBondContact O-CB 3.39Å; M126-S130 PolarHBondContact O-N 3.17Å; M126-I146 HydrophobicContact SD-CG2 3.58Å; M126-I146 VanDerWaalsContact SD-CG2 3.58Å; M126-F174 HydrophobicContact SD-CD1 4.42Å; M126-F174 HydrophobicContact SD-CD2 4.45Å; M126-F174 HydrophobicContact SD-CG 4.3Å; M126-I176 HydrophobicContact CG-CD1 4.35Å
127	G	83.9	Confident	83.3	Confident	31 Å²	31	34.2 Å²	34.2	32%	0.32	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-41.4	175.1	0	0	0	0	0	113.7	K123 I125 K131	K123-G127 PolarHBondContact O-N 2.85Å; I125-G127 PolarHBondContact O-N 3.47Å; G127-K131 PolarHBondContact O-N 2.82Å; G127-K131 VanDerWaalsContact O-N 3.08Å
128	Y	89.9	Confident	82.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-53.8	176.4	-176.9	-89.4	0	0	0	111.8	I73 Q77 Y89 A92 D93 Y124 I125 S130 K131 V132	I73-Y128 HydrophobicContact CB-CD2 4.46Å; I73-Y128 HydrophobicContact CB-CE2 4.27Å; I73-Y128 HydrophobicContact CG1-CD2 4.09Å; I73-Y128 HydrophobicContact CG1-CE2 4.39Å; I73-Y128 HydrophobicContact CG2-CD2 4.11Å; I73-Y128 HydrophobicContact CG2-CE2 3.8Å; Q77-Y128 VanDerWaalsContact CA-OH 3.23Å; Q77-Y128 WeakPolarHBondContact CA-OH 3.28Å; Q77-Y128 PolarHBondContact N-OH 3.26Å; Y89-Y128 AromaticContact CD1-CD2 3.53Å; Y89-Y128 HydrophobicContact CD1-CD2 3.53Å; Y89-Y128 HydrophobicContact CD1-CE2 4.49Å; Y89-Y128 AromaticContact CD1-CG 3.89Å; Y89-Y128 HydrophobicContact CD1-CG 3.89Å; Y89-Y128 AromaticContact CD2-CD2 3.85Å; Y89-Y128 HydrophobicContact CD2-CD2 3.85Å; Y89-Y128 HydrophobicContact CD2-CE2 4.25Å; Y89-Y128 HydrophobicContact CE1-CD2 4.17Å; Y89-Y128 HydrophobicContact CE2-CD2 4.46Å; Y89-Y128 AromaticContact CG-CD2 3.36Å; Y89-Y128 HydrophobicContact CG-CD2 3.36Å; Y89-Y128 AromaticContact CG-CE2 3.91Å; Y89-Y128 HydrophobicContact CG-CE2 3.91Å; Y89-Y128 HydrophobicContact CG-CG 4.13Å; A92-Y128 HydrophobicContact CB-CD1 3.52Å; A92-Y128 HydrophobicContact CB-CE1 4.27Å; A92-Y128 HydrophobicContact CB-CG 4.01Å; D93-Y128 HydrophobicContact CB-CE1 3.67Å; D93-Y128 WeakPolarHBondContact CB-OH 3.49Å; D93-Y128 PolarHBondContact OD1-OH 3.11Å; Y124-Y128 WeakPolarHBondContact O-CB 3.39Å; Y124-Y128 PolarHBondContact O-N 3.42Å; I125-Y128 PolarHBondContact O-N 3.34Å; Y128-S130 PolarHBondContact O-N 3.05Å; Y128-K131 PolarHBondContact O-N 2.83Å; Y128-V132 HydrophobicContact CD1-CG1 4.27Å; Y128-V132 HydrophobicContact CD1-CG2 4.11Å; Y128-V132 HydrophobicContact CE1-CB 4.37Å; Y128-V132 HydrophobicContact CE1-CG1 3.68Å; Y128-V132 HydrophobicContact CE1-CG2 3.78Å; Y128-V132 HydrophobicContact CE2-CG1 4.03Å; Y128-V132 PolarHBondContact O-N 3.31Å
129	I	87.4	Confident	82.1	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-43	178.3	-70.4	172.1	0	0	0	110.1	A92 I125 K131 V132 S133 I176 F178 I384	A92-I129 HydrophobicContact CB-CG1 4.4Å; I125-I129 HydrophobicContact CG2-CD1 3.66Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 WeakPolarHBondContact O-CB 3.37Å; I125-I129 WeakPolarHBondContact O-CG1 3.42Å; I125-I129 PolarHBondContact O-N 2.87Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.06Å; I129-V132 PolarHBondContact O-N 2.88Å; I129-S133 VanDerWaalsContact O-CB 3.3Å; I129-S133 WeakPolarHBondContact O-CB 3.29Å; I129-S133 PolarHBondContact O-N 3.22Å; I129-S133 VanDerWaalsContact O-N 3.13Å; I129-S133 PolarHBondContact O-OG 3.37Å; I129-I176 HydrophobicContact CG2-CD1 4.23Å; I129-F178 HydrophobicContact CG2-CE1 4.08Å; I129-F178 HydrophobicContact CG2-CZ 3.7Å; I129-I384 HydrophobicContact CD1-CD1 3.92Å; I129-I384 HydrophobicContact CD1-CG2 3.86Å
130	S	80.1	Confident	82	Confident	30 Å²	30	42.1 Å²	42.1	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-37.8	175.1	175.3	0	0	0	0	113.3	M126 Y128 K143	M126-S130 WeakPolarHBondContact O-CB 3.39Å; M126-S130 PolarHBondContact O-N 3.17Å; Y128-S130 PolarHBondContact O-N 3.05Å; S130-K143 VanDerWaalsContact O-CE 3.3Å; S130-K143 WeakPolarHBondContact O-CE 3.29Å; S130-K143 PolarHBondContact O-NZ 3.42Å; S130-K143 WeakPolarHBondContact OG-CD 3.32Å; S130-K143 WeakPolarHBondContact OG-CE 3.38Å; S130-K143 WeakPolarHBondContact OG-CG 3.42Å
131	K	83.4	Confident	81.9	Confident	112 Å²	112	43.2 Å²	43.2	49%	0.487	25%	0.25	S	C	.	.	H	α-helix	trans	-76.2	-42.1	178.8	-169.5	66.9	167.2	-170.6	0	112.8	E70 I73 G127 Y128 I129	E70-K131 VanDerWaalsContact OE1-CE 3.29Å; E70-K131 WeakPolarHBondContact OE1-CE 3.3Å; E70-K131 IonicContact OE1-NZ 3.72Å; E70-K131 PolarHBondContact OE1-NZ 3.14Å; I73-K131 HydrophobicContact CD1-CB 4.03Å; I73-K131 HydrophobicContact CD1-CG 3.86Å; I73-K131 HydrophobicContact CG2-CB 4.33Å; I73-K131 HydrophobicContact CG2-CG 3.97Å; G127-K131 PolarHBondContact O-N 2.82Å; G127-K131 VanDerWaalsContact O-N 3.08Å; Y128-K131 PolarHBondContact O-N 2.83Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.06Å
132	V	86	Confident	81.4	Confident	17 Å²	17	43.3 Å²	43.3	10%	0.103	25%	0.25	C	S	.	.	H	α-helix	trans	-83.2	-17.4	-173.1	-58	0	0	0	0	115	I73 Q77 Y96 Y128 I129 G134	I73-V132 HydrophobicContact CG2-CG1 3.89Å; Q77-V132 HydrophobicContact CG-CG1 4.11Å; Y96-V132 HydrophobicContact CD1-CG2 3.88Å; Y96-V132 HydrophobicContact CE1-CG2 4.12Å; Y96-V132 HydrophobicContact CG-CG2 4.34Å; Y128-V132 HydrophobicContact CD1-CG1 4.27Å; Y128-V132 HydrophobicContact CD1-CG2 4.11Å; Y128-V132 HydrophobicContact CE1-CB 4.37Å; Y128-V132 HydrophobicContact CE1-CG1 3.68Å; Y128-V132 HydrophobicContact CE1-CG2 3.78Å; Y128-V132 HydrophobicContact CE2-CG1 4.03Å; Y128-V132 PolarHBondContact O-N 3.31Å; I129-V132 PolarHBondContact O-N 2.88Å; V132-G134 VanDerWaalsContact C-N 3.34Å
133	S	80.1	Confident	80.8	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.7	-179.5	56.3	0	0	0	0	115.1	I129 G182 P184	I129-S133 VanDerWaalsContact O-CB 3.3Å; I129-S133 WeakPolarHBondContact O-CB 3.29Å; I129-S133 PolarHBondContact O-N 3.22Å; I129-S133 VanDerWaalsContact O-N 3.13Å; I129-S133 PolarHBondContact O-OG 3.37Å; S133-G182 WeakPolarHBondContact CB-O 3.11Å; S133-P184 WeakPolarHBondContact OG-CD 3.41Å
134	G	72.8	Confident	80.7	Confident	43 Å²	43	43.3 Å²	43.3	44%	0.443	25%	0.253	S	S	.	.			trans	66.4	-151.5	179.5	0	0	0	0	0	113	V132 K143	V132-G134 VanDerWaalsContact C-N 3.34Å; G134-K143 PolarHBondContact O-NZ 3.14Å
135	G	65.6	Low	80.6	Confident	47 Å²	47	41 Å²	41	49%	0.485	24%	0.244	S	C	.	.			trans	142.9	141.8	166.9	0	0	0	0	0	117	V139	G135-V139 VanDerWaalsContact CA-CG1 3.49Å
136	G	70	Confident	80.1	Confident	35 Å²	35	41.6 Å²	41.6	36%	0.361	25%	0.247	S	C	.	.			trans	-92	-168.8	160.8	0	0	0	0	0	113.3	R138 V139 Q140	G136-R138 PolarHBondContact O-N 2.94Å; G136-V139 WeakPolarHBondContact O-CB 3.44Å; G136-V139 PolarHBondContact O-N 3.03Å; G136-V139 VanDerWaalsContact O-N 3.07Å; G136-Q140 PolarHBondContact O-N 2.78Å
137	P	76.1	Confident	79.9	Confident	121 Å²	121	44.9 Å²	44.9	79%	0.786	26%	0.264	S	S	*	.	H	α-helix	trans	-57.2	-42	-173	-28.4	36.3	0	0	0	115.6	V139 Q140 H141	P137-V139 VanDerWaalsContact C-N 3.31Å; P137-V139 PolarHBondContact O-N 3.26Å; P137-Q140 PolarHBondContact O-N 3.05Å; P137-H141 PolarHBondContact O-N 3.47Å
138	R	75.2	Confident	80	Confident	136 Å²	136	45.9 Å²	45.9	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176	178.2	177.9	174.2	140.1	6.1	111.8	G136 Q140 H141 V142 D185 V376	G136-R138 PolarHBondContact O-N 2.94Å; R138-Q140 VanDerWaalsContact C-N 3.34Å; R138-H141 PolarHBondContact O-N 2.95Å; R138-V142 WeakPolarHBondContact O-CG2 3.49Å; R138-V142 PolarHBondContact O-N 2.93Å; R138-V142 VanDerWaalsContact O-N 3.11Å; R138-D185 PolarHBondContact NE-O 3.11Å; R138-D185 PolarHBondContact NH2-O 3.44Å; R138-V376 PolarHBondContact NH2-O 3.26Å
139	V	76.1	Confident	79.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-39.5	179.2	174.9	0	0	0	0	110.4	G135 G136 P137 K143 E183 P184	G135-V139 VanDerWaalsContact CA-CG1 3.49Å; G136-V139 WeakPolarHBondContact O-CB 3.44Å; G136-V139 PolarHBondContact O-N 3.03Å; G136-V139 VanDerWaalsContact O-N 3.07Å; P137-V139 VanDerWaalsContact C-N 3.31Å; P137-V139 PolarHBondContact O-N 3.26Å; V139-K143 HydrophobicContact CG1-CD 4.18Å; V139-K143 VanDerWaalsContact CG1-CE 3.47Å; V139-K143 VanDerWaalsContact O-CD 3.28Å; V139-K143 WeakPolarHBondContact O-CD 3.24Å; V139-K143 VanDerWaalsContact O-CG 3.23Å; V139-K143 WeakPolarHBondContact O-CG 3.41Å; V139-K143 PolarHBondContact O-N 3.15Å; V139-E183 HydrophobicContact CG2-CB 4.02Å; V139-P184 HydrophobicContact CG1-CG 3.93Å
140	Q	80.1	Confident	79.9	Confident	91 Å²	91	46 Å²	46	43%	0.425	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-45	174.1	-169.3	57	42.2	0	0	112.1	G136 P137 R138 V142 K143 D144	G136-Q140 PolarHBondContact O-N 2.78Å; P137-Q140 PolarHBondContact O-N 3.05Å; R138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-V142 PolarHBondContact O-N 3.49Å; Q140-K143 WeakPolarHBondContact O-CB 3.26Å; Q140-K143 PolarHBondContact O-N 3.08Å; Q140-K143 VanDerWaalsContact O-N 3.12Å; Q140-D144 PolarHBondContact NE2-OD1 2.9Å; Q140-D144 PolarHBondContact NE2-OD2 3.22Å; Q140-D144 VanDerWaalsContact O-CG 3.23Å; Q140-D144 PolarHBondContact O-N 2.95Å
141	H	82.6	Confident	80.4	Confident	96 Å²	96	45.6 Å²	45.6	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-45.6	177.7	-178.6	47.5	0	0	0	112.9	P137 R138 K143 D144 I145	P137-H141 PolarHBondContact O-N 3.47Å; R138-H141 PolarHBondContact O-N 2.95Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 3.27Å; H141-D144 PolarHBondContact O-N 3.45Å; H141-I145 WeakPolarHBondContact O-CG1 3.28Å; H141-I145 PolarHBondContact O-N 3.47Å
142	V	81	Confident	80.9	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-40.2	175.8	173.3	0	0	0	0	111.5	R138 Q140 I146	R138-V142 WeakPolarHBondContact O-CG2 3.49Å; R138-V142 PolarHBondContact O-N 2.93Å; R138-V142 VanDerWaalsContact O-N 3.11Å; Q140-V142 PolarHBondContact O-N 3.49Å; V142-I146 HydrophobicContact CG1-CD1 3.87Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.29Å; V142-I146 PolarHBondContact O-N 3.2Å
143	K	77.1	Confident	81.2	Confident	17 Å²	17	39.5 Å²	39.5	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-44.2	175.1	-69.4	159.5	175.7	-172.5	0	112	S130 G134 V139 Q140 H141 I146 L147	S130-K143 VanDerWaalsContact O-CE 3.3Å; S130-K143 WeakPolarHBondContact O-CE 3.29Å; S130-K143 PolarHBondContact O-NZ 3.42Å; S130-K143 WeakPolarHBondContact OG-CD 3.32Å; S130-K143 WeakPolarHBondContact OG-CE 3.38Å; S130-K143 WeakPolarHBondContact OG-CG 3.42Å; G134-K143 PolarHBondContact O-NZ 3.14Å; V139-K143 HydrophobicContact CG1-CD 4.18Å; V139-K143 VanDerWaalsContact CG1-CE 3.47Å; V139-K143 VanDerWaalsContact O-CD 3.28Å; V139-K143 WeakPolarHBondContact O-CD 3.24Å; V139-K143 VanDerWaalsContact O-CG 3.23Å; V139-K143 WeakPolarHBondContact O-CG 3.41Å; V139-K143 PolarHBondContact O-N 3.15Å; Q140-K143 WeakPolarHBondContact O-CB 3.26Å; Q140-K143 PolarHBondContact O-N 3.08Å; Q140-K143 VanDerWaalsContact O-N 3.12Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 3.27Å; K143-I146 PolarHBondContact O-N 3.37Å; K143-L147 WeakPolarHBondContact O-CG 3.1Å; K143-L147 PolarHBondContact O-N 2.87Å
144	D	82.3	Confident	81.8	Confident	59 Å²	59	40.4 Å²	40.4	32%	0.316	23%	0.233	S	C	.	.	H	α-helix	trans	-64.7	-42.3	-178.9	-63.9	-26.7	0	0	0	110.7	Q140 H141 L147 Q148	Q140-D144 PolarHBondContact NE2-OD1 2.9Å; Q140-D144 PolarHBondContact NE2-OD2 3.22Å; Q140-D144 VanDerWaalsContact O-CG 3.23Å; Q140-D144 PolarHBondContact O-N 2.95Å; H141-D144 PolarHBondContact O-N 3.45Å; D144-L147 PolarHBondContact O-N 3.44Å; D144-Q148 WeakPolarHBondContact O-CB 3.36Å; D144-Q148 VanDerWaalsContact O-CG 3.3Å; D144-Q148 WeakPolarHBondContact O-CG 3.49Å; D144-Q148 PolarHBondContact O-N 3Å
145	I	86.7	Confident	82.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-47.3	172.6	-64.4	158.2	0	0	0	111.3	H141 L147 Q148 S149 I265 I371 A374 M375	H141-I145 WeakPolarHBondContact O-CG1 3.28Å; H141-I145 PolarHBondContact O-N 3.47Å; I145-L147 VanDerWaalsContact C-N 3.29Å; I145-L147 PolarHBondContact O-N 2.9Å; I145-Q148 PolarHBondContact O-N 2.81Å; I145-S149 WeakPolarHBondContact O-CB 3.17Å; I145-S149 PolarHBondContact O-N 2.79Å; I145-I265 HydrophobicContact CG2-CG1 4.38Å; I145-I371 HydrophobicContact CG2-CG2 4.12Å; I145-A374 HydrophobicContact CD1-CB 3.73Å; I145-A374 WeakPolarHBondContact CD1-O 3.43Å; I145-A374 HydrophobicContact CG1-CB 4.39Å; I145-A374 HydrophobicContact CG2-CB 4.31Å; I145-M375 HydrophobicContact CB-CG 4.14Å; I145-M375 HydrophobicContact CB-SD 4.28Å; I145-M375 HydrophobicContact CD1-CG 4.15Å; I145-M375 HydrophobicContact CG2-CG 3.62Å; I145-M375 HydrophobicContact CG2-SD 3.73Å
146	I	81.1	Confident	84.3	Confident	14 Å²	14	36.1 Å²	36.1	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-41	179.1	-70.3	168.3	0	0	0	110.9	M126 V142 K143 S149 N150 I176 M375	M126-I146 HydrophobicContact SD-CG2 3.58Å; M126-I146 VanDerWaalsContact SD-CG2 3.58Å; V142-I146 HydrophobicContact CG1-CD1 3.87Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.29Å; V142-I146 PolarHBondContact O-N 3.2Å; K143-I146 PolarHBondContact O-N 3.37Å; I146-S149 PolarHBondContact O-OG 3.33Å; I146-N150 PolarHBondContact O-ND2 3.48Å; I146-N150 VanDerWaalsContact O-ND2 3.13Å; I146-I176 HydrophobicContact CD1-CG1 4.3Å; I146-M375 HydrophobicContact CD1-SD 4.23Å; I146-M375 HydrophobicContact CG1-SD 3.48Å; I146-M375 WeakPolarHBondContact CG1-SD 3.41Å
147	L	80.1	Confident	85.4	Confident	75 Å²	75	34.5 Å²	34.5	39%	0.393	17%	0.172	S	C	.	.	H	α-helix	trans	-68.1	-51.8	177.5	-68.2	171	0	0	0	111.5	K143 D144 I145 S149 N150	K143-L147 WeakPolarHBondContact O-CG 3.1Å; K143-L147 PolarHBondContact O-N 2.87Å; D144-L147 PolarHBondContact O-N 3.44Å; I145-L147 VanDerWaalsContact C-N 3.29Å; I145-L147 PolarHBondContact O-N 2.9Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.08Å; L147-N150 PolarHBondContact O-N 3.16Å; L147-N150 VanDerWaalsContact O-N 3.14Å; L147-N150 PolarHBondContact O-ND2 3.08Å
148	Q	85.8	Confident	86.1	Confident	53 Å²	53	28.8 Å²	28.8	25%	0.248	14%	0.136	C	C	.	.	H	α-helix	trans	-68.4	-20.4	-178.8	-65.8	-59.3	-26.4	0	0	114.2	D144 I145 N150 P151 A261 V264	D144-Q148 WeakPolarHBondContact O-CB 3.36Å; D144-Q148 VanDerWaalsContact O-CG 3.3Å; D144-Q148 WeakPolarHBondContact O-CG 3.49Å; D144-Q148 PolarHBondContact O-N 3Å; I145-Q148 PolarHBondContact O-N 2.81Å; Q148-N150 PolarHBondContact O-N 2.7Å; Q148-N150 VanDerWaalsContact O-N 3.12Å; Q148-P151 WeakPolarHBondContact O-CD 3.38Å; Q148-A261 HydrophobicContact CB-CB 4.21Å; Q148-A261 WeakPolarHBondContact O-CB 3.47Å; Q148-V264 HydrophobicContact CB-CB 4.47Å; Q148-V264 HydrophobicContact CB-CG1 4.35Å; Q148-V264 HydrophobicContact CG-CB 4.14Å; Q148-V264 HydrophobicContact CG-CG1 3.89Å; Q148-V264 HydrophobicContact CG-CG2 4.45Å
149	S	89	Confident	86.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-22.5	170.6	75.1	0	0	0	0	113.2	I145 I146 L147 L153	I145-S149 WeakPolarHBondContact O-CB 3.17Å; I145-S149 PolarHBondContact O-N 2.79Å; I146-S149 PolarHBondContact O-OG 3.33Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.08Å; S149-L153 VanDerWaalsContact O-CB 3.31Å; S149-L153 WeakPolarHBondContact O-CB 3.4Å; S149-L153 VanDerWaalsContact O-CG 3.22Å; S149-L153 WeakPolarHBondContact O-CG 3.42Å; S149-L153 PolarHBondContact O-N 2.84Å
150	N	86.8	Confident	87.4	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.116	C	C	.	.	H	α-helix	trans	-72.3	-58.1	-178.8	-71.8	-86.5	0	0	0	112.4	I146 L147 Q148 L152 L153 E154 K172	I146-N150 PolarHBondContact O-ND2 3.48Å; I146-N150 VanDerWaalsContact O-ND2 3.13Å; L147-N150 PolarHBondContact O-N 3.16Å; L147-N150 VanDerWaalsContact O-N 3.14Å; L147-N150 PolarHBondContact O-ND2 3.08Å; Q148-N150 PolarHBondContact O-N 2.7Å; Q148-N150 VanDerWaalsContact O-N 3.12Å; N150-L152 VanDerWaalsContact C-N 3.27Å; N150-L152 PolarHBondContact O-N 3.04Å; N150-L153 PolarHBondContact O-N 2.97Å; N150-E154 VanDerWaalsContact O-CB 3.27Å; N150-E154 WeakPolarHBondContact O-CB 3.39Å; N150-E154 WeakPolarHBondContact O-CG 3.42Å; N150-E154 PolarHBondContact O-N 2.66Å; N150-K172 PolarHBondContact OD1-NZ 2.91Å
151	P	90.9	Very high	87.4	Confident	22 Å²	22	19.6 Å²	19.6	14%	0.143	10%	0.098	C	C	.	.	H	α-helix	trans	-48.2	-46.4	174.1	-30.9	34.9	0	0	0	113.9	Q148 E154 A155 E257 A261	Q148-P151 WeakPolarHBondContact O-CD 3.38Å; P151-E154 PolarHBondContact O-N 3.15Å; P151-A155 WeakPolarHBondContact O-CB 3.15Å; P151-A155 PolarHBondContact O-N 2.88Å; P151-E257 HydrophobicContact CB-CG 3.99Å; P151-E257 HydrophobicContact CG-CG 4.06Å; P151-E257 WeakPolarHBondContact CG-OE1 3.48Å; P151-A261 HydrophobicContact CB-CB 4.3Å
152	L	93.9	Very high	87.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-48.8	179.6	-179.4	59	0	0	0	113.2	N150 A155 F156 T258 A261 M262 I265 I267 L367 I371	N150-L152 VanDerWaalsContact C-N 3.27Å; N150-L152 PolarHBondContact O-N 3.04Å; L152-A155 PolarHBondContact O-N 3.03Å; L152-F156 HydrophobicContact CD1-CD2 4Å; L152-F156 HydrophobicContact CD1-CE2 3.84Å; L152-F156 WeakPolarHBondContact O-CD2 3.14Å; L152-F156 PolarHBondContact O-N 2.89Å; L152-T258 HydrophobicContact CD1-CG2 4.01Å; L152-A261 HydrophobicContact CB-CB 4.19Å; L152-M262 HydrophobicContact CD1-CE 3.53Å; L152-M262 HydrophobicContact CD1-CG 3.65Å; L152-M262 HydrophobicContact CD1-SD 4.47Å; L152-M262 HydrophobicContact CD2-CG 4.2Å; L152-I265 HydrophobicContact CB-CD1 4.31Å; L152-I265 HydrophobicContact CD2-CD1 3.47Å; L152-I265 VanDerWaalsContact CD2-CD1 3.47Å; L152-I267 HydrophobicContact CD2-CD1 4.18Å; L152-L367 HydrophobicContact CD1-CD1 4.05Å; L152-L367 HydrophobicContact CD1-CD2 4.33Å; L152-L367 HydrophobicContact CD2-CB 4.43Å; L152-L367 HydrophobicContact CD2-CD2 4.22Å; L152-L367 HydrophobicContact CG-CD1 4.45Å; L152-I371 HydrophobicContact CD2-CD1 4.22Å; L152-I371 HydrophobicContact CD2-CG1 4.49Å
153	L	92.6	Very high	86.7	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-75.9	-26	-178.9	-63.6	175.6	0	0	0	112.6	S149 N150 G157 F170 I189 F364 V368 I371	S149-L153 VanDerWaalsContact O-CB 3.31Å; S149-L153 WeakPolarHBondContact O-CB 3.4Å; S149-L153 VanDerWaalsContact O-CG 3.22Å; S149-L153 WeakPolarHBondContact O-CG 3.42Å; S149-L153 PolarHBondContact O-N 2.84Å; N150-L153 PolarHBondContact O-N 2.97Å; L153-G157 WeakPolarHBondContact O-CA 3.22Å; L153-G157 PolarHBondContact O-N 2.79Å; L153-F170 HydrophobicContact CB-CE2 4.42Å; L153-F170 HydrophobicContact CB-CZ 3.82Å; L153-F170 WeakPolarHBondContact O-CE1 3.29Å; L153-I189 HydrophobicContact CD1-CD1 4.04Å; L153-I189 HydrophobicContact CD1-CG2 4.37Å; L153-F364 HydrophobicContact CD2-CD2 4.43Å; L153-F364 HydrophobicContact CD2-CE2 3.79Å; L153-F364 HydrophobicContact CD2-CZ 4.24Å; L153-V368 HydrophobicContact CD2-CG2 3.58Å; L153-I371 HydrophobicContact CD1-CD1 3.89Å; L153-I371 HydrophobicContact CD2-CD1 3.87Å; L153-I371 HydrophobicContact CG-CD1 3.79Å
154	E	91.3	Very high	86.6	Confident	25 Å²	25	25.4 Å²	25.4	12%	0.117	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-40.9	171.1	-68.5	-178	-140	0	0	110.6	K123 N150 P151 F156 N158 N166	K123-E154 WeakPolarHBondContact CE-OE1 3.34Å; K123-E154 IonicContact NZ-OE1 2.67Å; K123-E154 PolarHBondContact NZ-OE1 3.47Å; K123-E154 IonicContact NZ-OE2 2.62Å; N150-E154 VanDerWaalsContact O-CB 3.27Å; N150-E154 WeakPolarHBondContact O-CB 3.39Å; N150-E154 WeakPolarHBondContact O-CG 3.42Å; N150-E154 PolarHBondContact O-N 2.66Å; P151-E154 PolarHBondContact O-N 3.15Å; E154-F156 PolarHBondContact O-N 3.5Å; E154-N158 HydrophobicContact CB-CB 4.48Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 WeakPolarHBondContact O-CA 3.21Å; E154-N158 WeakPolarHBondContact O-CB 3.4Å; E154-N158 PolarHBondContact O-N 2.98Å; E154-N166 PolarHBondContact OE2-ND2 3.45Å
155	A	95.5	Very high	86.6	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-46.8	176.1	0	0	0	0	0	113.6	P151 L152 H210 I211 Q214 T258	P151-A155 WeakPolarHBondContact O-CB 3.15Å; P151-A155 PolarHBondContact O-N 2.88Å; L152-A155 PolarHBondContact O-N 3.03Å; A155-H210 PolarHBondContact O-N 3.36Å; A155-I211 HydrophobicContact CB-CB 4.48Å; A155-I211 WeakPolarHBondContact O-CB 3.5Å; A155-I211 PolarHBondContact O-N 2.99Å; A155-Q214 VanDerWaalsContact CB-OE1 3.25Å; A155-T258 HydrophobicContact CB-CG2 3.68Å; A155-T258 WeakPolarHBondContact CB-OG1 3.49Å
156	F	96.4	Very high	86.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-90.3	-18	-176.6	-74.6	-105.1	0	0	0	114.4	L152 E154 F209 I211 T258 M262 V275 V279 H360 V363 F364 L367	L152-F156 HydrophobicContact CD1-CD2 4Å; L152-F156 HydrophobicContact CD1-CE2 3.84Å; L152-F156 WeakPolarHBondContact O-CD2 3.14Å; L152-F156 PolarHBondContact O-N 2.89Å; E154-F156 PolarHBondContact O-N 3.5Å; F156-F209 WeakPolarHBondContact O-CD1 3.33Å; F156-F209 WeakPolarHBondContact O-CG 3.36Å; F156-I211 HydrophobicContact CD1-CB 4.48Å; F156-I211 HydrophobicContact CD1-CG1 4.39Å; F156-I211 HydrophobicContact CD1-CG2 4.02Å; F156-I211 HydrophobicContact CD2-CB 4.24Å; F156-I211 HydrophobicContact CD2-CD1 4.39Å; F156-I211 HydrophobicContact CD2-CG1 4.19Å; F156-I211 HydrophobicContact CE1-CG1 3.94Å; F156-I211 HydrophobicContact CE1-CG2 4.28Å; F156-I211 HydrophobicContact CE2-CB 4.27Å; F156-I211 HydrophobicContact CE2-CD1 3.68Å; F156-I211 HydrophobicContact CE2-CG1 3.71Å; F156-I211 HydrophobicContact CG-CB 4.35Å; F156-I211 HydrophobicContact CG-CG2 4.18Å; F156-I211 HydrophobicContact CZ-CB 4.41Å; F156-I211 HydrophobicContact CZ-CD1 3.86Å; F156-I211 HydrophobicContact CZ-CG1 3.58Å; F156-T258 HydrophobicContact CE2-CG2 4.31Å; F156-M262 HydrophobicContact CE2-CE 3.59Å; F156-M262 HydrophobicContact CZ-CE 3.76Å; F156-V275 HydrophobicContact CE1-CG1 3.93Å; F156-V275 HydrophobicContact CZ-CG1 3.56Å; F156-V279 HydrophobicContact CE1-CG2 3.7Å; F156-V279 HydrophobicContact CZ-CG2 4.26Å; F156-H360 PolarHBondContact O-NE2 2.64Å; F156-V363 HydrophobicContact CD1-CG1 4.08Å; F156-V363 HydrophobicContact CE1-CG1 3.64Å; F156-F364 HydrophobicContact CB-CD2 3.74Å; F156-F364 HydrophobicContact CB-CE2 4.25Å; F156-L367 HydrophobicContact CB-CD1 4.39Å; F156-L367 HydrophobicContact CD1-CD1 3.72Å; F156-L367 HydrophobicContact CD2-CD1 3.64Å; F156-L367 HydrophobicContact CE1-CD1 3.78Å; F156-L367 HydrophobicContact CE2-CD1 3.7Å; F156-L367 HydrophobicContact CG-CD1 3.65Å; F156-L367 HydrophobicContact CZ-CD1 3.77Å
157	G	92.3	Very high	86.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-121.9	-10.5	-171.7	0	0	0	0	0	116	L153 R169 F170	L153-G157 WeakPolarHBondContact O-CA 3.22Å; L153-G157 PolarHBondContact O-N 2.79Å; G157-R169 PolarHBondContact O-N 2.94Å; G157-F170 WeakPolarHBondContact O-CD1 3.47Å
158	N	91.2	Very high	86.8	Confident	2 Å²	2	23 Å²	23	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	159.5	173.6	-60.8	16.4	0	0	0	111.4	E154 N166 S167 S168 F170 F209 H210	E154-N158 HydrophobicContact CB-CB 4.48Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 WeakPolarHBondContact O-CA 3.21Å; E154-N158 WeakPolarHBondContact O-CB 3.4Å; E154-N158 PolarHBondContact O-N 2.98Å; N158-N166 WeakPolarHBondContact CB-OD1 3.23Å; N158-N166 PolarHBondContact ND2-OD1 2.82Å; N158-S167 VanDerWaalsContact CA-O 3.29Å; N158-S167 WeakPolarHBondContact CA-O 3.44Å; N158-S168 VanDerWaalsContact CG-CA 3.48Å; N158-S168 PolarHBondContact ND2-OG 3.35Å; N158-S168 VanDerWaalsContact OD1-CA 3.23Å; N158-S168 WeakPolarHBondContact OD1-CA 3.17Å; N158-F170 WeakPolarHBondContact OD1-CE1 3.34Å; N158-F209 WeakPolarHBondContact O-CA 3.16Å; N158-F209 WeakPolarHBondContact O-CD1 3.49Å; N158-H210 PolarHBondContact O-CD2 2.96Å; N158-H210 PolarHBondContact O-N 3.27Å
159	A	90.1	Very high	86.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.7	174.9	0	0	0	0	0	112.1	T161 S167 R169 S208 H210	A159-T161 PolarHBondContact O-N 2.88Å; A159-S167 PolarHBondContact N-O 2.91Å; A159-S167 VanDerWaalsContact O-CB 3.29Å; A159-S167 WeakPolarHBondContact O-CB 3.33Å; A159-S167 PolarHBondContact O-N 2.84Å; A159-R169 HydrophobicContact CB-CG 4.27Å; A159-S208 VanDerWaalsContact CB-O 3.28Å; A159-S208 WeakPolarHBondContact CB-O 3.29Å; A159-H210 WeakPolarHBondContact CA-NE2 3.32Å; A159-H210 PolarHBondContact N-NE2 3.28Å
160	K	87.9	Confident	86.7	Confident	32 Å²	32	20.7 Å²	20.7	14%	0.139	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.8	169.5	-173.9	-134.5	175.8	63.3	0	110.5	N165 G205 E206 R207 V246	K160-N165 VanDerWaalsContact CA-O 3.28Å; K160-N165 WeakPolarHBondContact CA-O 3.42Å; K160-N165 WeakPolarHBondContact CB-O 3.42Å; K160-N165 PolarHBondContact NZ-OD1 3.39Å; K160-G205 WeakPolarHBondContact CD-O 3.37Å; K160-G205 WeakPolarHBondContact CE-O 3.48Å; K160-E206 WeakPolarHBondContact O-CA 3.39Å; K160-E206 WeakPolarHBondContact O-CB 3.16Å; K160-R207 HydrophobicContact CB-CB 3.83Å; K160-R207 HydrophobicContact CB-CG 3.95Å; K160-R207 HydrophobicContact CD-CG 4.26Å; K160-R207 PolarHBondContact O-N 2.81Å; K160-V246 HydrophobicContact CB-CG2 4.39Å; K160-V246 HydrophobicContact CD-CG2 3.71Å; K160-V246 HydrophobicContact CG-CG2 3.98Å
161	T	81.7	Confident	86.4	Confident	6 Å²	6	20.7 Å²	20.7	4%	0.037	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	171.4	167.2	64.3	0	0	0	0	111	A159 R163 N164 E206	A159-T161 PolarHBondContact O-N 2.88Å; T161-R163 PolarHBondContact O-N 3.08Å; T161-N164 PolarHBondContact N-O 2.92Å; T161-N164 PolarHBondContact O-N 2.69Å; T161-N164 PolarHBondContact OG1-N 3.33Å; T161-N164 PolarHBondContact OG1-O 3.48Å; T161-E206 WeakPolarHBondContact CA-OE1 3.04Å; T161-E206 WeakPolarHBondContact CB-OE1 3.15Å
162	L	76.7	Confident	86.2	Confident	128 Å²	128	19.7 Å²	19.7	67%	0.67	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.6	175.1	-64.7	178.4	0	0	0	113.9	E206	L162-E206 HydrophobicContact CD2-CG 4.4Å; L162-E206 HydrophobicContact CG-CG 4.09Å; L162-E206 PolarHBondContact N-OE1 3.44Å; L162-E206 VanDerWaalsContact N-OE1 3.09Å
163	R	70.4	Confident	85.9	Confident	80 Å²	80	19.8 Å²	19.8	30%	0.302	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.5	-176.7	-66.8	-175.9	-179.8	151.3	4.4	114.7	T161 I394 K587	T161-R163 PolarHBondContact O-N 3.08Å; R163-I394 VanDerWaalsContact CZ-O 3.31Å; R163-I394 PolarHBondContact NH1-O 2.74Å; R163-I394 PolarHBondContact NH2-O 2.84Å; R163-K587 PolarHBondContact O-NZ 3.16Å
164	N	76	Confident	85.7	Confident	34 Å²	34	20 Å²	20	18%	0.182	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	131.6	-174.4	179	14.3	0	0	0	111.1	S114 T161 N166 S167	S114-N164 WeakPolarHBondContact OG-CB 3.46Å; S114-N164 PolarHBondContact OG-ND2 2.8Å; S114-N164 VanDerWaalsContact OG-ND2 3.1Å; T161-N164 PolarHBondContact N-O 2.92Å; T161-N164 PolarHBondContact O-N 2.69Å; T161-N164 PolarHBondContact OG1-N 3.33Å; T161-N164 PolarHBondContact OG1-O 3.48Å; N164-N166 PolarHBondContact ND2-O 2.79Å; N164-N166 PolarHBondContact OD1-N 3.08Å; N164-N166 PolarHBondContact OD1-O 2.98Å; N164-S167 WeakPolarHBondContact ND2-CA 3.36Å
165	N	83	Confident	85.6	Confident	16 Å²	16	19.2 Å²	19.2	9%	0.086	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-27.9	-176.6	-77	-25.2	0	0	0	113.4	K160 H210 V246 D248 I249 K592	K160-N165 VanDerWaalsContact CA-O 3.28Å; K160-N165 WeakPolarHBondContact CA-O 3.42Å; K160-N165 WeakPolarHBondContact CB-O 3.42Å; K160-N165 PolarHBondContact NZ-OD1 3.39Å; N165-H210 PolarHBondContact O-CE1 3.5Å; N165-H210 VanDerWaalsContact O-CE1 3.26Å; N165-V246 HydrophobicContact CB-CG1 3.85Å; N165-D248 PolarHBondContact ND2-OD2 2.91Å; N165-I249 HydrophobicContact CB-CD1 4.22Å; N165-I249 WeakPolarHBondContact O-CD1 3.18Å; N165-K592 PolarHBondContact ND2-NZ 3.42Å
166	N	84.9	Confident	85.3	Confident	58 Å²	58	19.6 Å²	19.6	31%	0.31	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	86.7	174.3	175.8	5.3	0	0	0	108.1	E154 N158 N164	E154-N166 PolarHBondContact OE2-ND2 3.45Å; N158-N166 WeakPolarHBondContact CB-OD1 3.23Å; N158-N166 PolarHBondContact ND2-OD1 2.82Å; N164-N166 PolarHBondContact ND2-O 2.79Å; N164-N166 PolarHBondContact OD1-N 3.08Å; N164-N166 PolarHBondContact OD1-O 2.98Å
167	S	82.6	Confident	85	Confident	2 Å²	2	20 Å²	20	1%	0.014	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.7	-173.6	-169.4	0	0	0	0	111.6	S114 N158 A159 N164 R169	S114-S167 PolarHBondContact OG-OG 2.78Å; N158-S167 VanDerWaalsContact CA-O 3.29Å; N158-S167 WeakPolarHBondContact CA-O 3.44Å; A159-S167 PolarHBondContact N-O 2.91Å; A159-S167 VanDerWaalsContact O-CB 3.29Å; A159-S167 WeakPolarHBondContact O-CB 3.33Å; A159-S167 PolarHBondContact O-N 2.84Å; N164-S167 WeakPolarHBondContact ND2-CA 3.36Å; S167-R169 PolarHBondContact O-N 2.92Å
168	S	84.4	Confident	84.8	Confident	21 Å²	21	20 Å²	20	15%	0.147	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	125.9	172.6	-38.1	0	0	0	0	111.8	N158	N158-S168 VanDerWaalsContact CG-CA 3.48Å; N158-S168 PolarHBondContact ND2-OG 3.35Å; N158-S168 VanDerWaalsContact OD1-CA 3.23Å; N158-S168 WeakPolarHBondContact OD1-CA 3.17Å
169	R	86.1	Confident	84.5	Confident	4 Å²	4	21 Å²	21	2%	0.015	11%	0.107	C	C	.	.	S	Bend	trans	-112.6	27.9	174.4	-49.7	-52.6	-59.3	160.8	-5.8	111.9	G157 A159 S167 L194 E195 F209 E393	G157-R169 PolarHBondContact O-N 2.94Å; A159-R169 HydrophobicContact CB-CG 4.27Å; S167-R169 PolarHBondContact O-N 2.92Å; R169-L194 WeakPolarHBondContact O-CA 3.4Å; R169-E195 HydrophobicContact CB-CB 3.86Å; R169-E195 IonicContact CZ-OE1 2.83Å; R169-E195 IonicContact CZ-OE2 2.69Å; R169-E195 IonicContact NE-OE1 3.3Å; R169-E195 PolarHBondContact NE-OE1 3.42Å; R169-E195 IonicContact NE-OE2 3.41Å; R169-E195 PolarHBondContact NE-OE2 3.34Å; R169-E195 IonicContact NH2-OE1 4Å; R169-E195 PolarHBondContact NH2-OE1 3.48Å; R169-E195 IonicContact NH2-OE2 2.59Å; R169-E195 PolarHBondContact O-N 3.22Å; R169-F209 HydrophobicContact CB-CE1 4.12Å; R169-E393 IonicContact CZ-OE1 3.54Å; R169-E393 IonicContact CZ-OE2 2.69Å; R169-E393 IonicContact NH1-OE1 2.63Å; R169-E393 PolarHBondContact NH1-OE1 2.83Å; R169-E393 IonicContact NH1-OE2 2.74Å; R169-E393 IonicContact NH2-OE1 2.7Å; R169-E393 IonicContact NH2-OE2 3.44Å; R169-E393 PolarHBondContact NH2-OE2 2.89Å
170	F	85.1	Confident	84.2	Confident	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.124	C	C	.	.	S	Bend	trans	-147.6	160.5	170	69.8	-72	0	0	0	108.4	L153 G157 N158 K172 L194 F364	L153-F170 HydrophobicContact CB-CE2 4.42Å; L153-F170 HydrophobicContact CB-CZ 3.82Å; L153-F170 WeakPolarHBondContact O-CE1 3.29Å; G157-F170 WeakPolarHBondContact O-CD1 3.47Å; N158-F170 WeakPolarHBondContact OD1-CE1 3.34Å; F170-K172 HydrophobicContact CD2-CB 4.25Å; F170-K172 HydrophobicContact CE2-CB 3.75Å; F170-K172 HydrophobicContact CE2-CD 4.06Å; F170-K172 HydrophobicContact CE2-CG 4.32Å; F170-K172 HydrophobicContact CZ-CD 4.07Å; F170-L194 HydrophobicContact CB-CB 4.43Å; F170-L194 HydrophobicContact CB-CD1 4.15Å; F170-F364 HydrophobicContact CB-CE1 4.47Å; F170-F364 HydrophobicContact CB-CZ 4.43Å; F170-F364 HydrophobicContact CD1-CZ 4.02Å; F170-F364 HydrophobicContact CD2-CE1 4.15Å; F170-F364 AromaticContact CD2-CZ 3.64Å; F170-F364 HydrophobicContact CD2-CZ 3.64Å; F170-F364 HydrophobicContact CE1-CZ 4.15Å; F170-F364 AromaticContact CE2-CZ 3.75Å; F170-F364 HydrophobicContact CE2-CZ 3.75Å; F170-F364 HydrophobicContact CG-CE1 4.27Å; F170-F364 AromaticContact CG-CZ 3.78Å; F170-F364 HydrophobicContact CG-CZ 3.78Å; F170-F364 HydrophobicContact CZ-CZ 4.03Å
171	G	82.2	Confident	84	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.7	166.6	0	0	0	0	0	111	F192	G171-F192 PolarHBondContact N-O 3.01Å; G171-F192 PolarHBondContact O-N 2.91Å
172	K	85.9	Confident	84	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127	177.4	58.2	-171.6	-178.1	176.5	0	112.1	N150 F170 F174 D388	N150-K172 PolarHBondContact OD1-NZ 2.91Å; F170-K172 HydrophobicContact CD2-CB 4.25Å; F170-K172 HydrophobicContact CE2-CB 3.75Å; F170-K172 HydrophobicContact CE2-CD 4.06Å; F170-K172 HydrophobicContact CE2-CG 4.32Å; F170-K172 HydrophobicContact CZ-CD 4.07Å; K172-F174 HydrophobicContact CB-CE2 4.27Å; K172-F174 HydrophobicContact CD-CE2 3.56Å; K172-F174 HydrophobicContact CD-CZ 3.74Å; K172-F174 HydrophobicContact CG-CD2 4.46Å; K172-F174 HydrophobicContact CG-CE2 3.73Å; K172-F174 HydrophobicContact CG-CZ 4.33Å; K172-D388 WeakPolarHBondContact CE-OD2 3.48Å; K172-D388 HydrophobicContact CG-CB 3.99Å; K172-D388 WeakPolarHBondContact CG-O 3.38Å; K172-D388 PolarHBondContact N-O 3.06Å; K172-D388 IonicContact NZ-OD2 2.76Å; K172-D388 PolarHBondContact O-N 2.7Å
173	Y	88.2	Confident	84.4	Confident	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.8	170.9	-173.3	-121.7	0	0	0	109.1	E175 I189 S190 V386 L387 T574 L575	Y173-E175 HydrophobicContact CD1-CG 3.72Å; Y173-E175 HydrophobicContact CE1-CG 3.34Å; Y173-I189 WeakPolarHBondContact O-CA 3.35Å; Y173-S190 PolarHBondContact N-O 3.14Å; Y173-S190 PolarHBondContact O-N 3.34Å; Y173-V386 WeakPolarHBondContact CA-O 3.12Å; Y173-L387 HydrophobicContact CD2-CB 3.85Å; Y173-L387 HydrophobicContact CD2-CD1 4.15Å; Y173-L387 HydrophobicContact CE2-CB 4.37Å; Y173-T574 HydrophobicContact CD1-CG2 4.4Å; Y173-T574 HydrophobicContact CE1-CG2 3.62Å; Y173-L575 HydrophobicContact CE2-CD2 3.81Å
174	F	88.4	Confident	85.2	Confident	5 Å²	5	19 Å²	19	2%	0.022	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.7	172.2	-59.9	-93.4	0	0	0	109	M126 K172 I189 G385 V386	M126-F174 HydrophobicContact SD-CD1 4.42Å; M126-F174 HydrophobicContact SD-CD2 4.45Å; M126-F174 HydrophobicContact SD-CG 4.3Å; K172-F174 HydrophobicContact CB-CE2 4.27Å; K172-F174 HydrophobicContact CD-CE2 3.56Å; K172-F174 HydrophobicContact CD-CZ 3.74Å; K172-F174 HydrophobicContact CG-CD2 4.46Å; K172-F174 HydrophobicContact CG-CE2 3.73Å; K172-F174 HydrophobicContact CG-CZ 4.33Å; F174-I189 HydrophobicContact CD1-CD1 3.77Å; F174-I189 HydrophobicContact CD1-CG1 3.75Å; F174-I189 HydrophobicContact CE1-CD1 3.58Å; F174-I189 HydrophobicContact CE1-CG1 4.09Å; F174-G385 CarbonylContact O-C 3.58Å; F174-G385 VanDerWaalsContact O-CA 3.25Å; F174-G385 WeakPolarHBondContact O-CA 3.47Å; F174-V386 HydrophobicContact CB-CB 4.38Å; F174-V386 PolarHBondContact N-O 3Å; F174-V386 PolarHBondContact O-N 2.98Å
175	E	89.1	Confident	85.6	Confident	10 Å²	10	18.8 Å²	18.8	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105.1	169	-64.1	176.1	71	0	0	108.1	Y173 G187 K188 N383	Y173-E175 HydrophobicContact CD1-CG 3.72Å; Y173-E175 HydrophobicContact CE1-CG 3.34Å; E175-G187 CarbonylContact O-C 3.56Å; E175-G187 VanDerWaalsContact O-CA 3.27Å; E175-G187 WeakPolarHBondContact O-CA 3.49Å; E175-K188 HydrophobicContact CB-CB 4.24Å; E175-K188 PolarHBondContact N-O 3.05Å; E175-K188 PolarHBondContact O-N 2.88Å; E175-K188 IonicContact OE2-NZ 2.84Å; E175-K188 PolarHBondContact OE2-NZ 3.14Å; E175-N383 PolarHBondContact OE1-ND2 2.96Å
176	I	88.8	Confident	85.8	Confident	8 Å²	8	18 Å²	18	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.9	168.5	-49.5	179.7	0	0	0	106.7	M126 I129 I146 F178 P184 N383 I384	M126-I176 HydrophobicContact CG-CD1 4.35Å; I129-I176 HydrophobicContact CG2-CD1 4.23Å; I146-I176 HydrophobicContact CD1-CG1 4.3Å; I176-F178 HydrophobicContact CB-CE2 3.8Å; I176-F178 HydrophobicContact CB-CZ 4.01Å; I176-F178 HydrophobicContact CG2-CD2 4.44Å; I176-F178 HydrophobicContact CG2-CE1 4.18Å; I176-F178 HydrophobicContact CG2-CE2 3.64Å; I176-F178 HydrophobicContact CG2-CZ 3.49Å; I176-F178 VanDerWaalsContact CG2-CZ 3.49Å; I176-F178 WeakPolarHBondContact O-CD2 3.37Å; I176-F178 WeakPolarHBondContact O-CE2 3.33Å; I176-P184 HydrophobicContact CG2-CB 3.63Å; I176-N383 CarbonylContact O-C 3.55Å; I176-N383 WeakPolarHBondContact O-CA 3.34Å; I176-N383 WeakPolarHBondContact O-CB 3.38Å; I176-I384 PolarHBondContact N-O 3.4Å; I176-I384 PolarHBondContact O-N 3.34Å
177	Q	89.6	Confident	86	Confident	8 Å²	8	15.5 Å²	15.5	4%	0.037	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	-179.1	-55.4	174	24.9	0	0	109.7	P184 D185 G186 G187 Q380	Q177-P184 VanDerWaalsContact O-CA 3.29Å; Q177-P184 WeakPolarHBondContact O-CA 3.49Å; Q177-D185 PolarHBondContact O-N 3.48Å; Q177-D185 VanDerWaalsContact O-N 3.16Å; Q177-G186 WeakPolarHBondContact CB-O 3.45Å; Q177-G186 PolarHBondContact N-O 2.76Å; Q177-G187 PolarHBondContact NE2-O 3.4Å; Q177-Q380 VanDerWaalsContact NE2-NE2 3.12Å
178	F	88.2	Confident	86.3	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152	-175.5	-61	-95.2	0	0	0	111.5	Y96 M99 I129 I176 G182 E183 P184 D185 K377 L382 I384	Y96-F178 HydrophobicContact CD2-CE1 4.39Å; Y96-F178 HydrophobicContact CE2-CD1 4.46Å; Y96-F178 HydrophobicContact CE2-CE1 4.14Å; M99-F178 HydrophobicContact CE-CB 4.03Å; M99-F178 HydrophobicContact CE-CD1 3.89Å; M99-F178 HydrophobicContact CE-CD2 3.7Å; M99-F178 HydrophobicContact CE-CE1 4.25Å; M99-F178 HydrophobicContact CE-CE2 4.11Å; M99-F178 HydrophobicContact CE-CG 3.58Å; M99-F178 HydrophobicContact CE-CZ 4.36Å; M99-F178 HydrophobicContact SD-CB 4.37Å; M99-F178 HydrophobicContact SD-CD2 3.45Å; M99-F178 WeakPolarHBondContact SD-CD2 3.42Å; M99-F178 HydrophobicContact SD-CE2 3.86Å; M99-F178 HydrophobicContact SD-CG 3.94Å; I129-F178 HydrophobicContact CG2-CE1 4.08Å; I129-F178 HydrophobicContact CG2-CZ 3.7Å; I176-F178 HydrophobicContact CB-CE2 3.8Å; I176-F178 HydrophobicContact CB-CZ 4.01Å; I176-F178 HydrophobicContact CG2-CD2 4.44Å; I176-F178 HydrophobicContact CG2-CE1 4.18Å; I176-F178 HydrophobicContact CG2-CE2 3.64Å; I176-F178 HydrophobicContact CG2-CZ 3.49Å; I176-F178 VanDerWaalsContact CG2-CZ 3.49Å; I176-F178 WeakPolarHBondContact O-CD2 3.37Å; I176-F178 WeakPolarHBondContact O-CE2 3.33Å; F178-G182 WeakPolarHBondContact CD1-O 3.33Å; F178-E183 WeakPolarHBondContact CA-O 3.36Å; F178-P184 HydrophobicContact CD1-CB 3.85Å; F178-P184 HydrophobicContact CD1-CG 4.41Å; F178-P184 HydrophobicContact CE1-CB 3.69Å; F178-P184 HydrophobicContact CE1-CG 4.05Å; F178-P184 HydrophobicContact CZ-CB 4.3Å; F178-D185 VanDerWaalsContact C-OD1 3.28Å; F178-K377 VanDerWaalsContact C-NZ 3.3Å; F178-K377 PolarHBondContact O-NZ 3.23Å; F178-L382 HydrophobicContact CB-CB 4.38Å; F178-L382 PolarHBondContact N-O 3.38Å; F178-I384 HydrophobicContact CD2-CG1 4.42Å; F178-I384 HydrophobicContact CE2-CB 3.84Å; F178-I384 HydrophobicContact CE2-CD1 3.74Å; F178-I384 HydrophobicContact CE2-CG1 3.61Å; F178-I384 HydrophobicContact CZ-CB 4.44Å; F178-I384 HydrophobicContact CZ-CD1 3.77Å; F178-I384 HydrophobicContact CZ-CG1 4.17Å
179	S	86.3	Confident	86.5	Confident	24 Å²	24	18 Å²	18	17%	0.168	11%	0.11	C	C	.	.			trans	-71.6	157.6	157.5	61.2	0	0	0	0	110.6	G181 G182 E183 D185	S179-G181 PolarHBondContact O-N 2.63Å; S179-G182 PolarHBondContact O-N 3.4Å; S179-E183 PolarHBondContact N-O 3.34Å; S179-E183 PolarHBondContact OG-N 3.47Å; S179-E183 PolarHBondContact OG-O 2.89Å; S179-E183 VanDerWaalsContact OG-O 3.09Å; S179-D185 PolarHBondContact N-OD1 2.77Å; S179-D185 VanDerWaalsContact N-OD1 3.16Å
180	S	83.2	Confident	86.5	Confident	51 Å²	51	18.8 Å²	18.8	36%	0.357	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-5.2	168.8	43.8	0	0	0	0	114.9	E381	S180-E381 WeakPolarHBondContact CB-OE2 3.42Å; S180-E381 PolarHBondContact N-OE2 3Å; S180-E381 PolarHBondContact OG-OE1 3.33Å; S180-E381 PolarHBondContact OG-OE2 3.38Å
181	G	82.4	Confident	86.5	Confident	59 Å²	59	20.4 Å²	20.4	61%	0.608	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-14	167.1	0	0	0	0	0	114.9	M100 S179	M100-G181 VanDerWaalsContact CE-C 3.5Å; M100-G181 WeakPolarHBondContact CE-O 3.2Å; S179-G181 PolarHBondContact O-N 2.63Å
182	G	83.1	Confident	86.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	95.8	0.1	-179.1	0	0	0	0	0	115.4	Y96 M100 S133 F178 S179	Y96-G182 PolarHBondContact OH-O 2.94Å; M100-G182 WeakPolarHBondContact SD-CA 3.27Å; S133-G182 WeakPolarHBondContact CB-O 3.11Å; F178-G182 WeakPolarHBondContact CD1-O 3.33Å; S179-G182 PolarHBondContact O-N 3.4Å
183	E	85.5	Confident	85.6	Confident	90 Å²	90	22.9 Å²	22.9	42%	0.421	14%	0.136	S	C	.	.			trans	-81.5	132.2	174.1	-58.3	-166.7	160.4	0	0	110.8	V139 F178 S179 D185	V139-E183 HydrophobicContact CG2-CB 4.02Å; F178-E183 WeakPolarHBondContact CA-O 3.36Å; S179-E183 PolarHBondContact N-O 3.34Å; S179-E183 PolarHBondContact OG-N 3.47Å; S179-E183 PolarHBondContact OG-O 2.89Å; S179-E183 VanDerWaalsContact OG-O 3.09Å; E183-D185 PolarHBondContact O-N 2.92Å
184	P	85.8	Confident	85.4	Confident	5 Å²	5	24 Å²	24	3%	0.032	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.4	175.9	27.8	-30	0	0	0	110.6	S133 V139 I176 Q177 F178	S133-P184 WeakPolarHBondContact OG-CD 3.41Å; V139-P184 HydrophobicContact CG1-CG 3.93Å; I176-P184 HydrophobicContact CG2-CB 3.63Å; Q177-P184 VanDerWaalsContact O-CA 3.29Å; Q177-P184 WeakPolarHBondContact O-CA 3.49Å; F178-P184 HydrophobicContact CD1-CB 3.85Å; F178-P184 HydrophobicContact CD1-CG 4.41Å; F178-P184 HydrophobicContact CE1-CB 3.69Å; F178-P184 HydrophobicContact CE1-CG 4.05Å; F178-P184 HydrophobicContact CZ-CB 4.3Å
185	D	83.9	Confident	85.1	Confident	29 Å²	29	24.7 Å²	24.7	16%	0.155	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	2.4	-167.4	61.9	-20.2	0	0	0	113.6	R138 Q177 F178 S179 E183 K377	R138-D185 PolarHBondContact NE-O 3.11Å; R138-D185 PolarHBondContact NH2-O 3.44Å; Q177-D185 PolarHBondContact O-N 3.48Å; Q177-D185 VanDerWaalsContact O-N 3.16Å; F178-D185 VanDerWaalsContact C-OD1 3.28Å; S179-D185 PolarHBondContact N-OD1 2.77Å; S179-D185 VanDerWaalsContact N-OD1 3.16Å; E183-D185 PolarHBondContact O-N 2.92Å; D185-K377 WeakPolarHBondContact OD1-CD 3.47Å; D185-K377 WeakPolarHBondContact OD1-CE 3.39Å; D185-K377 IonicContact OD1-NZ 2.7Å; D185-K377 PolarHBondContact OD1-NZ 2.81Å; D185-K377 WeakPolarHBondContact OD2-CE 3.46Å; D185-K377 IonicContact OD2-NZ 3.1Å; D185-K377 PolarHBondContact OD2-NZ 2.63Å
186	G	88.6	Confident	84.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	179.4	170.5	0	0	0	0	0	112.2	Q177 M375	Q177-G186 WeakPolarHBondContact CB-O 3.45Å; Q177-G186 PolarHBondContact N-O 2.76Å; G186-M375 WeakPolarHBondContact CA-O 3.3Å
187	G	88.8	Confident	84.6	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	165.8	-177.8	0	0	0	0	0	113	E175 Q177 M375	E175-G187 CarbonylContact O-C 3.56Å; E175-G187 VanDerWaalsContact O-CA 3.27Å; E175-G187 WeakPolarHBondContact O-CA 3.49Å; Q177-G187 PolarHBondContact NE2-O 3.4Å; G187-M375 PolarHBondContact N-O 3.37Å
188	K	89.1	Confident	84.4	Confident	72 Å²	72	27.8 Å²	27.8	31%	0.313	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.5	172.3	168.1	167.6	169.1	-86.1	0	110.6	E175 S190 N372	E175-K188 HydrophobicContact CB-CB 4.24Å; E175-K188 PolarHBondContact N-O 3.05Å; E175-K188 PolarHBondContact O-N 2.88Å; E175-K188 IonicContact OE2-NZ 2.84Å; E175-K188 PolarHBondContact OE2-NZ 3.14Å; K188-S190 PolarHBondContact NZ-OG 3.41Å; K188-N372 VanDerWaalsContact CA-OD1 3.25Å; K188-N372 WeakPolarHBondContact CA-OD1 3.46Å
189	I	88.9	Confident	84.6	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	169.2	-58.2	-175.9	0	0	0	108.1	L153 Y173 F174 V368 I371 N372 M375	L153-I189 HydrophobicContact CD1-CD1 4.04Å; L153-I189 HydrophobicContact CD1-CG2 4.37Å; Y173-I189 WeakPolarHBondContact O-CA 3.35Å; F174-I189 HydrophobicContact CD1-CD1 3.77Å; F174-I189 HydrophobicContact CD1-CG1 3.75Å; F174-I189 HydrophobicContact CE1-CD1 3.58Å; F174-I189 HydrophobicContact CE1-CG1 4.09Å; I189-V368 HydrophobicContact CG2-CG1 4.45Å; I189-I371 HydrophobicContact CD1-CG2 3.52Å; I189-I371 HydrophobicContact CG1-CG2 4.23Å; I189-N372 PolarHBondContact N-OD1 3.4Å; I189-N372 PolarHBondContact O-ND2 3.37Å; I189-N372 PolarHBondContact O-OD1 2.67Å; I189-M375 HydrophobicContact CD1-CE 4.44Å; I189-M375 HydrophobicContact CG1-CE 4.06Å
190	S	85.3	Confident	84.8	Confident	22 Å²	22	26.9 Å²	26.9	15%	0.154	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.8	164.8	-60.6	0	0	0	0	109.1	Y173 K188	Y173-S190 PolarHBondContact N-O 3.14Å; Y173-S190 PolarHBondContact O-N 3.34Å; K188-S190 PolarHBondContact NZ-OG 3.41Å
191	N	84.6	Confident	84.7	Confident	34 Å²	34	28.7 Å²	28.7	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	147.8	169.9	65.1	-29.2	0	0	0	109.8	F364 D365 V368	N191-F364 HydrophobicContact CB-CE1 4.02Å; N191-D365 PolarHBondContact ND2-OD1 3.24Å; N191-V368 HydrophobicContact CB-CG1 4.27Å; N191-V368 HydrophobicContact CB-CG2 3.97Å
192	F	75.4	Confident	84.8	Confident	24 Å²	24	26.8 Å²	26.8	11%	0.105	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.3	177.8	-60.5	-74.9	0	0	0	108.9	G171 L194 Q567 L571	G171-F192 PolarHBondContact N-O 3.01Å; G171-F192 PolarHBondContact O-N 2.91Å; F192-L194 PolarHBondContact O-N 3.41Å; F192-Q567 HydrophobicContact CD1-CB 4.08Å; F192-Q567 HydrophobicContact CD1-CG 4.37Å; F192-L571 HydrophobicContact CE1-CB 4.25Å; F192-L571 HydrophobicContact CE2-CD1 3.92Å; F192-L571 HydrophobicContact CE2-CD2 4.47Å; F192-L571 HydrophobicContact CZ-CB 4.12Å; F192-L571 HydrophobicContact CZ-CD1 4.06Å
193	L	73.8	Confident	84.6	Confident	31 Å²	31	31.1 Å²	31.1	16%	0.162	16%	0.161	C	C	.	.			trans	60.5	51.3	154.5	-51.4	166.7	0	0	0	114.6	Y390 V408 I564 Q567	L193-Y390 HydrophobicContact CB-CE1 4.12Å; L193-Y390 WeakPolarHBondContact CD1-OH 3.41Å; L193-V408 HydrophobicContact CD1-CB 4.38Å; L193-V408 HydrophobicContact CD1-CG1 4.27Å; L193-V408 HydrophobicContact CD1-CG2 3.71Å; L193-I564 HydrophobicContact CD2-CB 3.83Å; L193-I564 HydrophobicContact CD2-CD1 4.49Å; L193-I564 HydrophobicContact CD2-CG1 3.51Å; L193-I564 HydrophobicContact CD2-CG2 3.69Å; L193-Q567 VanDerWaalsContact CD2-OE1 3.24Å
194	L	84.8	Confident	84.4	Confident	25 Å²	25	32 Å²	32	13%	0.131	18%	0.175	C	C	.	.			trans	-64.9	127.5	170.7	-177.6	71.4	0	0	0	110.9	R169 F170 F192 K196 F209 F364	R169-L194 WeakPolarHBondContact O-CA 3.4Å; F170-L194 HydrophobicContact CB-CB 4.43Å; F170-L194 HydrophobicContact CB-CD1 4.15Å; F192-L194 PolarHBondContact O-N 3.41Å; L194-K196 VanDerWaalsContact C-N 3.26Å; L194-K196 PolarHBondContact O-N 3.09Å; L194-F209 HydrophobicContact CD1-CE1 3.84Å; L194-F209 HydrophobicContact CD1-CZ 3.76Å; L194-F209 HydrophobicContact CG-CZ 4.26Å; L194-F364 HydrophobicContact CB-CD1 4.45Å; L194-F364 HydrophobicContact CB-CE1 4.43Å; L194-F364 HydrophobicContact CD1-CD1 4.26Å; L194-F364 HydrophobicContact CD1-CE1 4.11Å; L194-F364 HydrophobicContact CD1-CZ 4.35Å; L194-F364 HydrophobicContact CD2-CB 4.08Å; L194-F364 HydrophobicContact CD2-CD1 3.76Å; L194-F364 HydrophobicContact CD2-CE1 4.39Å; L194-F364 HydrophobicContact CD2-CG 4.02Å; L194-F364 HydrophobicContact CG-CD1 4.38Å
195	E	81.7	Confident	84.3	Confident	20 Å²	20	33 Å²	33	9%	0.093	19%	0.187	C	C	.	.			trans	-73.7	70.4	177.4	-167	-173.6	-128.7	0	0	112	R169 S197 R198 E401	R169-E195 HydrophobicContact CB-CB 3.86Å; R169-E195 IonicContact CZ-OE1 2.83Å; R169-E195 IonicContact CZ-OE2 2.69Å; R169-E195 IonicContact NE-OE1 3.3Å; R169-E195 PolarHBondContact NE-OE1 3.42Å; R169-E195 IonicContact NE-OE2 3.41Å; R169-E195 PolarHBondContact NE-OE2 3.34Å; R169-E195 IonicContact NH2-OE1 4Å; R169-E195 PolarHBondContact NH2-OE1 3.48Å; R169-E195 IonicContact NH2-OE2 2.59Å; R169-E195 PolarHBondContact O-N 3.22Å; E195-S197 PolarHBondContact O-N 3.41Å; E195-S197 VanDerWaalsContact O-N 3.07Å; E195-R198 WeakPolarHBondContact O-CB 3.34Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 IonicContact OE1-NH2 2.71Å; E195-R198 IonicContact OE2-CZ 3.74Å; E195-R198 VanDerWaalsContact OE2-CZ 3.24Å; E195-R198 IonicContact OE2-NE 2.75Å; E195-R198 PolarHBondContact OE2-NE 3.34Å; E195-R198 IonicContact OE2-NH2 3.56Å; E195-R198 PolarHBondContact OE2-NH2 3.48Å; E195-E401 HydrophobicContact CG-CG 4.36Å
196	K	85.1	Confident	84.5	Confident	53 Å²	53	32 Å²	32	23%	0.23	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.4	-32.3	-175.1	-51.5	-176.6	-159.4	163.7	0	114	L194 R198 V199 K357 D523	L194-K196 VanDerWaalsContact C-N 3.26Å; L194-K196 PolarHBondContact O-N 3.09Å; K196-R198 PolarHBondContact O-N 2.94Å; K196-R198 VanDerWaalsContact O-N 3.15Å; K196-V199 WeakPolarHBondContact O-CB 3.08Å; K196-V199 VanDerWaalsContact O-CG2 3.29Å; K196-V199 WeakPolarHBondContact O-CG2 2.85Å; K196-V199 PolarHBondContact O-N 2.64Å; K196-V199 VanDerWaalsContact O-N 3.08Å; K196-K357 HydrophobicContact CB-CB 4.17Å; K196-K357 HydrophobicContact CB-CG 4.28Å; K196-K357 HydrophobicContact CD-CB 4.5Å; K196-D523 IonicContact NZ-OD1 3.98Å; K196-D523 PolarHBondContact NZ-OD1 3.44Å; K196-D523 IonicContact NZ-OD2 3.69Å; K196-D523 PolarHBondContact NZ-OD2 2.86Å
197	S	81.5	Confident	84.6	Confident	25 Å²	25	32 Å²	32	18%	0.175	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.5	-179.1	43	0	0	0	0	112.8	E195 V199 V200 T201 E401	E195-S197 PolarHBondContact O-N 3.41Å; E195-S197 VanDerWaalsContact O-N 3.07Å; S197-V199 PolarHBondContact O-N 3.11Å; S197-V199 VanDerWaalsContact O-N 3.16Å; S197-V200 PolarHBondContact O-N 3.28Å; S197-T201 PolarHBondContact O-N 3.18Å; S197-E401 VanDerWaalsContact CB-OE1 3.22Å; S197-E401 WeakPolarHBondContact CB-OE1 3.4Å; S197-E401 PolarHBondContact OG-OE1 3.25Å
198	R	87.3	Confident	84.8	Confident	13 Å²	13	31.9 Å²	31.9	5%	0.049	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.9	176.3	-171.3	164.6	-58	-88.2	-8.1	114.6	E195 K196 V200 T201 R202 E206 R207 S208 F209	E195-R198 WeakPolarHBondContact O-CB 3.34Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 IonicContact OE1-NH2 2.71Å; E195-R198 IonicContact OE2-CZ 3.74Å; E195-R198 VanDerWaalsContact OE2-CZ 3.24Å; E195-R198 IonicContact OE2-NE 2.75Å; E195-R198 PolarHBondContact OE2-NE 3.34Å; E195-R198 IonicContact OE2-NH2 3.56Å; E195-R198 PolarHBondContact OE2-NH2 3.48Å; K196-R198 PolarHBondContact O-N 2.94Å; K196-R198 VanDerWaalsContact O-N 3.15Å; R198-V200 VanDerWaalsContact C-N 3.29Å; R198-V200 PolarHBondContact O-N 3.1Å; R198-T201 WeakPolarHBondContact CA-O 3.14Å; R198-R202 HydrophobicContact CG-CG 4.48Å; R198-R202 WeakPolarHBondContact O-CD 3.23Å; R198-E206 IonicContact CZ-OE2 2.82Å; R198-E206 IonicContact NH1-OE2 3.48Å; R198-E206 PolarHBondContact NH1-OE2 2.83Å; R198-E206 IonicContact NH2-OE2 3.83Å; R198-E206 PolarHBondContact NH2-OE2 3.44Å; R198-R207 PolarHBondContact NH1-O 3.35Å; R198-S208 PolarHBondContact O-OG 3.46Å; R198-F209 HydrophobicContact CB-CE2 4.03Å; R198-F209 HydrophobicContact CB-CZ 4.19Å
199	V	91.8	Very high	85.1	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.7	-42.4	171	179	0	0	0	0	110.6	K196 S197 F209 F212 V282 H360	K196-V199 WeakPolarHBondContact O-CB 3.08Å; K196-V199 VanDerWaalsContact O-CG2 3.29Å; K196-V199 WeakPolarHBondContact O-CG2 2.85Å; K196-V199 PolarHBondContact O-N 2.64Å; K196-V199 VanDerWaalsContact O-N 3.08Å; S197-V199 PolarHBondContact O-N 3.11Å; S197-V199 VanDerWaalsContact O-N 3.16Å; V199-F209 HydrophobicContact CG2-CD2 4.08Å; V199-F209 HydrophobicContact CG2-CE2 3.86Å; V199-F212 HydrophobicContact CG1-CZ 4.23Å; V199-V282 HydrophobicContact CG1-CG1 3.65Å; V199-H360 HydrophobicContact CG2-CB 3.72Å
200	V	89.8	Confident	85.5	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.018	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-27.3	-168.9	-50.8	0	0	0	0	114	S197 R198 R202 Y237 D353 K357	S197-V200 PolarHBondContact O-N 3.28Å; R198-V200 VanDerWaalsContact C-N 3.29Å; R198-V200 PolarHBondContact O-N 3.1Å; V200-R202 PolarHBondContact O-NH1 2.73Å; V200-Y237 HydrophobicContact CB-CD1 4.01Å; V200-Y237 HydrophobicContact CB-CE1 3.61Å; V200-Y237 HydrophobicContact CG1-CD1 4.22Å; V200-Y237 HydrophobicContact CG1-CE1 3.61Å; V200-Y237 HydrophobicContact CG1-CE2 4.02Å; V200-Y237 VanDerWaalsContact CG1-CZ 3.48Å; V200-D353 HydrophobicContact CB-CB 4.32Å; V200-D353 HydrophobicContact CG1-CB 4.03Å; V200-D353 HydrophobicContact CG2-CB 4.12Å; V200-K357 HydrophobicContact CG1-CG 4.32Å
201	T	82.3	Confident	86	Confident	90 Å²	90	27.4 Å²	27.4	55%	0.552	16%	0.157	S	C	*	.			trans	-128.1	133.7	-176.6	-47.6	0	0	0	0	110.4	S197 R198	S197-T201 PolarHBondContact O-N 3.18Å; R198-T201 WeakPolarHBondContact CA-O 3.14Å
202	R	83.6	Confident	86.6	Confident	19 Å²	19	25.9 Å²	25.9	7%	0.072	15%	0.149	C	C	.	.			trans	-136.6	147.4	179.1	-64.7	85.2	60.3	-134.4	-1.1	109.9	R198 V200 S236 Y237 L238	R198-R202 HydrophobicContact CG-CG 4.48Å; R198-R202 WeakPolarHBondContact O-CD 3.23Å; V200-R202 PolarHBondContact O-NH1 2.73Å; R202-S236 PolarHBondContact NH2-O 2.85Å; R202-Y237 PolarHBondContact NE-O 2.74Å; R202-Y237 PolarHBondContact NH1-O 3.49Å; R202-Y237 PolarHBondContact NH2-O 2.9Å; R202-Y237 VanDerWaalsContact NH2-O 3.08Å; R202-L238 PolarHBondContact NH2-O 3.37Å; R202-L238 VanDerWaalsContact NH2-O 3.12Å
203	N	79.1	Confident	87.6	Confident	90 Å²	90	24.8 Å²	24.8	48%	0.481	14%	0.144	S	C	.	.			trans	-71.3	153.8	170.1	-60.7	-61.5	0	0	0	110.5	G205 E206	N203-G205 PolarHBondContact O-N 3.15Å; N203-E206 HydrophobicContact CB-CG 3.98Å; N203-E206 PolarHBondContact ND2-OE2 3.45Å; N203-E206 WeakPolarHBondContact O-CB 3.45Å; N203-E206 PolarHBondContact O-N 2.92Å
204	P	81.4	Confident	88.6	Confident	108 Å²	108	23.6 Å²	23.6	70%	0.701	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	132.5	173.1	-26.9	35.5	0	0	0	112.1	E206	P204-E206 VanDerWaalsContact C-N 3.28Å; P204-E206 PolarHBondContact O-N 3.3Å
205	G	83.4	Confident	89.2	Confident	28 Å²	28	22.4 Å²	22.4	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-8.5	-177.9	0	0	0	0	0	115.9	K160 N203 S241 S243	K160-G205 WeakPolarHBondContact CD-O 3.37Å; K160-G205 WeakPolarHBondContact CE-O 3.48Å; N203-G205 PolarHBondContact O-N 3.15Å; G205-S241 PolarHBondContact N-O 3.46Å; G205-S243 WeakPolarHBondContact O-CB 3.2Å; G205-S243 PolarHBondContact O-OG 2.84Å
206	E	87.6	Confident	89.8	Confident	8 Å²	8	21.7 Å²	21.7	4%	0.037	13%	0.128	C	C	.	.			trans	-90.9	161.3	174.3	-59	-158.7	141	0	0	112.7	K160 T161 L162 R198 N203 P204 S241 S243	K160-E206 WeakPolarHBondContact O-CA 3.39Å; K160-E206 WeakPolarHBondContact O-CB 3.16Å; T161-E206 WeakPolarHBondContact CA-OE1 3.04Å; T161-E206 WeakPolarHBondContact CB-OE1 3.15Å; L162-E206 HydrophobicContact CD2-CG 4.4Å; L162-E206 HydrophobicContact CG-CG 4.09Å; L162-E206 PolarHBondContact N-OE1 3.44Å; L162-E206 VanDerWaalsContact N-OE1 3.09Å; R198-E206 IonicContact CZ-OE2 2.82Å; R198-E206 IonicContact NH1-OE2 3.48Å; R198-E206 PolarHBondContact NH1-OE2 2.83Å; R198-E206 IonicContact NH2-OE2 3.83Å; R198-E206 PolarHBondContact NH2-OE2 3.44Å; N203-E206 HydrophobicContact CB-CG 3.98Å; N203-E206 PolarHBondContact ND2-OE2 3.45Å; N203-E206 WeakPolarHBondContact O-CB 3.45Å; N203-E206 PolarHBondContact O-N 2.92Å; P204-E206 VanDerWaalsContact C-N 3.28Å; P204-E206 PolarHBondContact O-N 3.3Å; E206-S241 WeakPolarHBondContact O-CB 3.44Å; E206-S241 PolarHBondContact O-OG 3.03Å; E206-S243 VanDerWaalsContact O-CB 3.28Å; E206-S243 WeakPolarHBondContact O-CB 3.42Å
207	R	91.4	Very high	90.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.			trans	-102.8	164.5	170.8	-76.4	-175.9	161	-175.6	-8.5	111.7	K160 R198 Y213 S243 Y244 D251	K160-R207 HydrophobicContact CB-CB 3.83Å; K160-R207 HydrophobicContact CB-CG 3.95Å; K160-R207 HydrophobicContact CD-CG 4.26Å; K160-R207 PolarHBondContact O-N 2.81Å; R198-R207 PolarHBondContact NH1-O 3.35Å; R207-Y213 WeakPolarHBondContact CA-OH 3.19Å; R207-Y213 HydrophobicContact CB-CE2 3.67Å; R207-Y213 WeakPolarHBondContact CB-OH 3.32Å; R207-Y213 HydrophobicContact CG-CE1 3.91Å; R207-Y213 HydrophobicContact CG-CE2 3.91Å; R207-S243 VanDerWaalsContact CG-O 3.29Å; R207-S243 WeakPolarHBondContact CG-O 3.33Å; R207-S243 PolarHBondContact NE-O 2.85Å; R207-Y244 PolarHBondContact NH2-O 3.22Å; R207-D251 IonicContact CZ-OD1 3.43Å; R207-D251 IonicContact CZ-OD2 2.65Å; R207-D251 IonicContact NH1-OD1 2.64Å; R207-D251 PolarHBondContact NH1-OD1 3.29Å; R207-D251 IonicContact NH1-OD2 3.12Å; R207-D251 PolarHBondContact NH1-OD2 3.37Å; R207-D251 IonicContact NH2-OD1 3.9Å; R207-D251 IonicContact NH2-OD2 3.23Å; R207-D251 PolarHBondContact NH2-OD2 2.73Å
208	S	93.5	Very high	90.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-72.5	-170.4	156.3	-162.2	0	0	0	0	110.8	A159 R198 Y213	A159-S208 VanDerWaalsContact CB-O 3.28Å; A159-S208 WeakPolarHBondContact CB-O 3.29Å; R198-S208 PolarHBondContact O-OG 3.46Å; S208-Y213 PolarHBondContact N-OH 3.41Å; S208-Y213 VanDerWaalsContact N-OH 3.08Å
209	F	95.7	Very high	91.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-59.4	143.4	175.4	-65.1	-73.1	0	0	0	112	F156 N158 R169 L194 R198 V199 I211 F212 Y213 H360	F156-F209 WeakPolarHBondContact O-CD1 3.33Å; F156-F209 WeakPolarHBondContact O-CG 3.36Å; N158-F209 WeakPolarHBondContact O-CA 3.16Å; N158-F209 WeakPolarHBondContact O-CD1 3.49Å; R169-F209 HydrophobicContact CB-CE1 4.12Å; L194-F209 HydrophobicContact CD1-CE1 3.84Å; L194-F209 HydrophobicContact CD1-CZ 3.76Å; L194-F209 HydrophobicContact CG-CZ 4.26Å; R198-F209 HydrophobicContact CB-CE2 4.03Å; R198-F209 HydrophobicContact CB-CZ 4.19Å; V199-F209 HydrophobicContact CG2-CD2 4.08Å; V199-F209 HydrophobicContact CG2-CE2 3.86Å; F209-I211 VanDerWaalsContact C-N 3.27Å; F209-I211 HydrophobicContact CB-CG2 4.36Å; F209-I211 PolarHBondContact O-N 3.33Å; F209-F212 HydrophobicContact CB-CD2 4.14Å; F209-F212 HydrophobicContact CB-CE2 4.11Å; F209-F212 HydrophobicContact CD2-CE2 4.26Å; F209-F212 WeakPolarHBondContact O-CD2 3.32Å; F209-F212 PolarHBondContact O-N 3.43Å; F209-Y213 WeakPolarHBondContact O-CD2 3.1Å; F209-H360 AromaticContact CD2-CD2 3.91Å; F209-H360 AromaticContact CD2-CE1 3.86Å; F209-H360 AromaticContact CD2-NE2 3.37Å; F209-H360 WeakPolarHBondContact CD2-NE2 3.32Å; F209-H360 AromaticContact CE2-CD2 3.92Å; F209-H360 AromaticContact CE2-NE2 3.73Å; F209-H360 AromaticContact CG-NE2 3.72Å
210	H	95.6	Very high	91.3	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-37	-171.5	-67.8	-79.6	0	0	0	113.3	A155 N158 A159 N165 F212 Y213 Q214	A155-H210 PolarHBondContact O-N 3.36Å; N158-H210 PolarHBondContact O-CD2 2.96Å; N158-H210 PolarHBondContact O-N 3.27Å; A159-H210 WeakPolarHBondContact CA-NE2 3.32Å; A159-H210 PolarHBondContact N-NE2 3.28Å; N165-H210 PolarHBondContact O-CE1 3.5Å; N165-H210 VanDerWaalsContact O-CE1 3.26Å; H210-F212 PolarHBondContact O-N 2.93Å; H210-Y213 PolarHBondContact O-N 2.98Å; H210-Q214 HydrophobicContact CB-CG 4.37Å; H210-Q214 WeakPolarHBondContact O-CG 3.38Å; H210-Q214 PolarHBondContact O-N 2.76Å
211	I	97.6	Very high	91.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-52.2	-33.5	-178.1	-172.2	63.1	0	0	0	113.9	A155 F156 F209 L215 T258 L276 V279	A155-I211 HydrophobicContact CB-CB 4.48Å; A155-I211 WeakPolarHBondContact O-CB 3.5Å; A155-I211 PolarHBondContact O-N 2.99Å; F156-I211 HydrophobicContact CD1-CB 4.48Å; F156-I211 HydrophobicContact CD1-CG1 4.39Å; F156-I211 HydrophobicContact CD1-CG2 4.02Å; F156-I211 HydrophobicContact CD2-CB 4.24Å; F156-I211 HydrophobicContact CD2-CD1 4.39Å; F156-I211 HydrophobicContact CD2-CG1 4.19Å; F156-I211 HydrophobicContact CE1-CG1 3.94Å; F156-I211 HydrophobicContact CE1-CG2 4.28Å; F156-I211 HydrophobicContact CE2-CB 4.27Å; F156-I211 HydrophobicContact CE2-CD1 3.68Å; F156-I211 HydrophobicContact CE2-CG1 3.71Å; F156-I211 HydrophobicContact CG-CB 4.35Å; F156-I211 HydrophobicContact CG-CG2 4.18Å; F156-I211 HydrophobicContact CZ-CB 4.41Å; F156-I211 HydrophobicContact CZ-CD1 3.86Å; F156-I211 HydrophobicContact CZ-CG1 3.58Å; F209-I211 VanDerWaalsContact C-N 3.27Å; F209-I211 HydrophobicContact CB-CG2 4.36Å; F209-I211 PolarHBondContact O-N 3.33Å; I211-L215 WeakPolarHBondContact O-CB 3.24Å; I211-L215 PolarHBondContact O-N 2.72Å; I211-T258 HydrophobicContact CD1-CG2 4.31Å; I211-L276 HydrophobicContact CD1-CD2 4.3Å; I211-V279 HydrophobicContact CG1-CG1 4.16Å; I211-V279 HydrophobicContact CG1-CG2 4.23Å; I211-V279 HydrophobicContact CG2-CG1 4.47Å
212	F	96.8	Very high	91.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-40.3	177.7	-62.8	-62.2	0	0	0	112.3	V199 F209 H210 I216 L238 V279 V282 L283 H360	V199-F212 HydrophobicContact CG1-CZ 4.23Å; F209-F212 HydrophobicContact CB-CD2 4.14Å; F209-F212 HydrophobicContact CB-CE2 4.11Å; F209-F212 HydrophobicContact CD2-CE2 4.26Å; F209-F212 WeakPolarHBondContact O-CD2 3.32Å; F209-F212 PolarHBondContact O-N 3.43Å; H210-F212 PolarHBondContact O-N 2.93Å; F212-I216 WeakPolarHBondContact O-CD1 3.43Å; F212-I216 VanDerWaalsContact O-CG1 3.3Å; F212-I216 WeakPolarHBondContact O-CG1 3.23Å; F212-I216 PolarHBondContact O-N 2.93Å; F212-L238 HydrophobicContact CB-CD2 3.88Å; F212-L238 HydrophobicContact CG-CD2 4.49Å; F212-V279 HydrophobicContact CD1-CG1 3.58Å; F212-V279 HydrophobicContact CE1-CG1 3.78Å; F212-V282 HydrophobicContact CE1-CB 4.33Å; F212-V282 HydrophobicContact CE1-CG1 3.96Å; F212-V282 HydrophobicContact CZ-CG1 3.98Å; F212-L283 HydrophobicContact CB-CD1 4.45Å; F212-L283 HydrophobicContact CB-CD2 4.22Å; F212-L283 HydrophobicContact CD1-CD1 3.88Å; F212-L283 HydrophobicContact CD1-CD2 3.71Å; F212-L283 HydrophobicContact CD1-CG 3.62Å; F212-L283 HydrophobicContact CE1-CD2 4.34Å; F212-L283 HydrophobicContact CE1-CG 4.14Å; F212-L283 HydrophobicContact CG-CD2 4.11Å; F212-L283 HydrophobicContact CG-CG 4.46Å; F212-H360 AromaticContact CZ-ND1 3.57Å
213	Y	95.5	Very high	92.3	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-76.5	-42.3	178.1	-56.4	-96.1	0	0	0	110.7	R207 S208 F209 H210 I216 E217 L232 L238	R207-Y213 WeakPolarHBondContact CA-OH 3.19Å; R207-Y213 HydrophobicContact CB-CE2 3.67Å; R207-Y213 WeakPolarHBondContact CB-OH 3.32Å; R207-Y213 HydrophobicContact CG-CE1 3.91Å; R207-Y213 HydrophobicContact CG-CE2 3.91Å; S208-Y213 PolarHBondContact N-OH 3.41Å; S208-Y213 VanDerWaalsContact N-OH 3.08Å; F209-Y213 WeakPolarHBondContact O-CD2 3.1Å; H210-Y213 PolarHBondContact O-N 2.98Å; Y213-I216 PolarHBondContact O-N 3.47Å; Y213-E217 PolarHBondContact O-N 2.89Å; Y213-L232 HydrophobicContact CD1-CD2 3.87Å; Y213-L232 HydrophobicContact CE1-CD2 4.48Å; Y213-L238 HydrophobicContact CE1-CD2 4.24Å; Y213-L238 HydrophobicContact CE2-CD2 3.95Å
214	Q	96.1	Very high	93	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176	-68.8	170.9	-12.5	0	0	111.8	A155 H210 G218 D251 E254 F255	A155-Q214 VanDerWaalsContact CB-OE1 3.25Å; H210-Q214 HydrophobicContact CB-CG 4.37Å; H210-Q214 WeakPolarHBondContact O-CG 3.38Å; H210-Q214 PolarHBondContact O-N 2.76Å; Q214-G218 VanDerWaalsContact O-CA 3.24Å; Q214-G218 WeakPolarHBondContact O-CA 3.4Å; Q214-G218 PolarHBondContact O-N 2.95Å; Q214-D251 WeakPolarHBondContact CA-O 3.49Å; Q214-D251 HydrophobicContact CG-CB 4.28Å; Q214-D251 WeakPolarHBondContact CG-O 3.24Å; Q214-E254 HydrophobicContact CG-CB 4.16Å; Q214-E254 VanDerWaalsContact NE2-CB 3.28Å; Q214-E254 PolarHBondContact NE2-OE2 3.36Å; Q214-F255 HydrophobicContact CB-CB 3.95Å; Q214-F255 HydrophobicContact CB-CD2 4.14Å; Q214-F255 WeakPolarHBondContact O-CB 3.42Å; Q214-F255 WeakPolarHBondContact O-CD2 3.25Å; Q214-F255 WeakPolarHBondContact O-CG 3.5Å
215	L	96.5	Very high	93.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175	178.4	62.8	0	0	0	111.7	I211 A219 L227 I229 F255 L276 V279 A280	I211-L215 WeakPolarHBondContact O-CB 3.24Å; I211-L215 PolarHBondContact O-N 2.72Å; L215-A219 HydrophobicContact CD1-CB 4.12Å; L215-A219 WeakPolarHBondContact O-CB 3.23Å; L215-A219 PolarHBondContact O-N 2.97Å; L215-L227 HydrophobicContact CD1-CD1 4.25Å; L215-I229 HydrophobicContact CD1-CD1 3.94Å; L215-I229 HydrophobicContact CD2-CD1 4.2Å; L215-I229 HydrophobicContact CG-CD1 3.78Å; L215-F255 HydrophobicContact CB-CE2 4.25Å; L215-F255 HydrophobicContact CD1-CE2 3.84Å; L215-F255 HydrophobicContact CD1-CZ 3.95Å; L215-L276 HydrophobicContact CD1-CB 4.38Å; L215-L276 HydrophobicContact CD1-CD1 4.48Å; L215-L276 HydrophobicContact CD1-CD2 4.3Å; L215-V279 HydrophobicContact CD2-CB 4.15Å; L215-V279 HydrophobicContact CD2-CG1 3.71Å; L215-A280 HydrophobicContact CD2-CB 4.31Å
216	I	95.1	Very high	94	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-39	-176.9	-67.1	168.2	0	0	0	112.1	F212 Y213 K224 I229 L232 Y235 L238 L283	F212-I216 WeakPolarHBondContact O-CD1 3.43Å; F212-I216 VanDerWaalsContact O-CG1 3.3Å; F212-I216 WeakPolarHBondContact O-CG1 3.23Å; F212-I216 PolarHBondContact O-N 2.93Å; Y213-I216 PolarHBondContact O-N 3.47Å; I216-K224 WeakPolarHBondContact O-CE 3.4Å; I216-K224 PolarHBondContact O-NZ 2.68Å; I216-I229 HydrophobicContact CB-CG2 4.33Å; I216-I229 HydrophobicContact CG1-CG2 4.06Å; I216-I229 HydrophobicContact CG2-CG2 4.27Å; I216-L232 HydrophobicContact CB-CD2 3.94Å; I216-L232 HydrophobicContact CD1-CD2 3.73Å; I216-L232 HydrophobicContact CG1-CD2 4.44Å; I216-L232 HydrophobicContact CG2-CD2 3.78Å; I216-L232 HydrophobicContact CG2-CG 4.01Å; I216-Y235 HydrophobicContact CD1-CD2 3.67Å; I216-Y235 HydrophobicContact CD1-CE2 3.68Å; I216-Y235 HydrophobicContact CG1-CE2 4.33Å; I216-L238 HydrophobicContact CD1-CD1 3.4Å; I216-L238 VanDerWaalsContact CD1-CD1 3.4Å; I216-L283 HydrophobicContact CD1-CD1 3.96Å; I216-L283 HydrophobicContact CG1-CD1 4.41Å
217	E	94.6	Very high	94.4	Very high	61 Å²	61	35.8 Å²	35.8	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-83.9	-28.3	177.3	-71.3	-79.5	-167.2	0	0	112.8	Y213 K245 D251 K252	Y213-E217 PolarHBondContact O-N 2.89Å; E217-K245 WeakPolarHBondContact OE1-CE 3.42Å; E217-K245 IonicContact OE1-NZ 3.29Å; E217-K245 PolarHBondContact OE1-NZ 2.95Å; E217-D251 HydrophobicContact CB-CB 4.12Å; E217-D251 HydrophobicContact CG-CB 4.33Å; E217-K252 HydrophobicContact CB-CB 4.37Å
218	G	94	Very high	94.5	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-97.1	-26.5	-171	0	0	0	0	0	117.1	Q214 F255	Q214-G218 VanDerWaalsContact O-CA 3.24Å; Q214-G218 WeakPolarHBondContact O-CA 3.4Å; Q214-G218 PolarHBondContact O-N 2.95Å; G218-F255 VanDerWaalsContact C-CD1 3.43Å
219	A	94.3	Very high	94.5	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	21%	0.207	C	C	.	.	S	Bend	trans	-59.3	144.2	-176.8	0	0	0	0	0	113.6	L215 Q223 K224 I229	L215-A219 HydrophobicContact CD1-CB 4.12Å; L215-A219 WeakPolarHBondContact O-CB 3.23Å; L215-A219 PolarHBondContact O-N 2.97Å; A219-Q223 HydrophobicContact CB-CB 4.07Å; A219-K224 HydrophobicContact CB-CG 3.74Å; A219-K224 WeakPolarHBondContact O-CE 3.37Å; A219-I229 HydrophobicContact CB-CD1 3.93Å
220	S	93.9	Very high	94.3	Very high	52 Å²	52	40.3 Å²	40.3	36%	0.364	23%	0.227	S	C	.	.			trans	-65	158	175.2	86.6	0	0	0	0	111.9	E222 Q223 K224	S220-E222 PolarHBondContact O-N 3.45Å; S220-E222 PolarHBondContact OG-N 3.18Å; S220-Q223 PolarHBondContact O-N 3.18Å; S220-Q223 WeakPolarHBondContact OG-CG 3.42Å; S220-Q223 PolarHBondContact OG-N 3.49Å; S220-Q223 VanDerWaalsContact OG-N 3.12Å; S220-Q223 PolarHBondContact OG-OE1 2.96Å; S220-K224 WeakPolarHBondContact O-CG 3.16Å; S220-K224 PolarHBondContact O-N 3.49Å
221	G	92.4	Very high	94.1	Very high	58 Å²	58	42.7 Å²	42.7	60%	0.598	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.4	177.9	0	0	0	0	0	114.9	K225	G221-K225 WeakPolarHBondContact O-CG 3.42Å
222	E	92.1	Very high	93.8	Very high	156 Å²	156	43.4 Å²	43.4	73%	0.729	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-50.3	172	-177.9	172.8	-161.2	0	0	110.9	S220 K224 K225 S226	S220-E222 PolarHBondContact O-N 3.45Å; S220-E222 PolarHBondContact OG-N 3.18Å; E222-K224 PolarHBondContact O-N 2.89Å; E222-K225 WeakPolarHBondContact O-CB 3.24Å; E222-K225 PolarHBondContact O-N 3.19Å; E222-S226 PolarHBondContact O-N 2.97Å; E222-S226 PolarHBondContact O-OG 3.1Å
223	Q	92.5	Very high	93.5	Very high	63 Å²	63	47.7 Å²	47.7	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-55.1	-37.8	173.4	-72.3	173	-47.8	0	0	111.8	A219 S220 K225 S226 L227	A219-Q223 HydrophobicContact CB-CB 4.07Å; S220-Q223 PolarHBondContact O-N 3.18Å; S220-Q223 WeakPolarHBondContact OG-CG 3.42Å; S220-Q223 PolarHBondContact OG-N 3.49Å; S220-Q223 VanDerWaalsContact OG-N 3.12Å; S220-Q223 PolarHBondContact OG-OE1 2.96Å; Q223-K225 VanDerWaalsContact C-N 3.28Å; Q223-K225 PolarHBondContact O-N 2.97Å; Q223-S226 PolarHBondContact O-N 2.84Å; Q223-S226 PolarHBondContact O-OG 3.3Å; Q223-L227 VanDerWaalsContact O-CB 3.24Å; Q223-L227 WeakPolarHBondContact O-CB 3.17Å; Q223-L227 WeakPolarHBondContact O-CG 3.37Å; Q223-L227 PolarHBondContact O-N 3.42Å
224	K	93.5	Very high	93.3	Very high	62 Å²	62	51.5 Å²	51.5	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-31.2	176.5	-70.3	-168.5	175.5	-164.9	0	113.4	I216 A219 S220 E222 G228 I229	I216-K224 WeakPolarHBondContact O-CE 3.4Å; I216-K224 PolarHBondContact O-NZ 2.68Å; A219-K224 HydrophobicContact CB-CG 3.74Å; A219-K224 WeakPolarHBondContact O-CE 3.37Å; S220-K224 WeakPolarHBondContact O-CG 3.16Å; S220-K224 PolarHBondContact O-N 3.49Å; E222-K224 PolarHBondContact O-N 2.89Å; K224-G228 PolarHBondContact O-N 3.2Å; K224-I229 HydrophobicContact CB-CB 4.04Å; K224-I229 HydrophobicContact CB-CG2 4.49Å; K224-I229 HydrophobicContact CD-CG2 4.11Å; K224-I229 HydrophobicContact CG-CB 3.91Å; K224-I229 HydrophobicContact CG-CD1 4.37Å; K224-I229 HydrophobicContact CG-CG2 3.9Å; K224-I229 PolarHBondContact O-N 2.92Å
225	K	92.7	Very high	93.2	Very high	178 Å²	178	51.3 Å²	51.3	77%	0.774	29%	0.285	S	S	*	.	H	α-helix	trans	-76.2	-46.2	175.7	-69.2	174.1	-179.4	-178.7	0	111.5	G221 E222 Q223 G228	G221-K225 WeakPolarHBondContact O-CG 3.42Å; E222-K225 WeakPolarHBondContact O-CB 3.24Å; E222-K225 PolarHBondContact O-N 3.19Å; Q223-K225 VanDerWaalsContact C-N 3.28Å; Q223-K225 PolarHBondContact O-N 2.97Å; K225-G228 PolarHBondContact O-N 3.38Å
226	S	92.8	Very high	93	Very high	67 Å²	67	52.7 Å²	52.7	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-32.3	-178.7	57.2	0	0	0	0	113.4	E222 Q223	E222-S226 PolarHBondContact O-N 2.97Å; E222-S226 PolarHBondContact O-OG 3.1Å; Q223-S226 PolarHBondContact O-N 2.84Å; Q223-S226 PolarHBondContact O-OG 3.3Å
227	L	94.9	Very high	92.9	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.073	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.1	178.5	-59.9	-178.2	0	0	0	114.1	L215 Q223 I229 L276 Q277 A280 H284 L311	L215-L227 HydrophobicContact CD1-CD1 4.25Å; Q223-L227 VanDerWaalsContact O-CB 3.24Å; Q223-L227 WeakPolarHBondContact O-CB 3.17Å; Q223-L227 WeakPolarHBondContact O-CG 3.37Å; Q223-L227 PolarHBondContact O-N 3.42Å; L227-I229 VanDerWaalsContact C-N 3.31Å; L227-I229 HydrophobicContact CB-CD1 3.76Å; L227-I229 HydrophobicContact CB-CG1 3.84Å; L227-I229 HydrophobicContact CD1-CD1 3.9Å; L227-I229 HydrophobicContact CG-CD1 4.45Å; L227-I229 PolarHBondContact O-N 2.87Å; L227-L276 HydrophobicContact CD1-CB 4.47Å; L227-Q277 HydrophobicContact CD2-CB 3.96Å; L227-Q277 HydrophobicContact CD2-CG 4.26Å; L227-A280 HydrophobicContact CB-CB 3.9Å; L227-A280 HydrophobicContact CD1-CB 4.36Å; L227-A280 HydrophobicContact CD2-CB 4.29Å; L227-A280 HydrophobicContact CG-CB 4.42Å; L227-H284 PolarHBondContact O-NE2 2.86Å; L227-L311 HydrophobicContact CD2-CD2 4.03Å
228	G	93.6	Very high	92.8	Very high	12 Å²	12	49.7 Å²	49.7	12%	0.124	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	36.7	-176.3	0	0	0	0	0	113.7	K224 K225 T230 Y235 H284	K224-G228 PolarHBondContact O-N 3.2Å; K225-G228 PolarHBondContact O-N 3.38Å; G228-T230 PolarHBondContact O-N 2.97Å; G228-Y235 PolarHBondContact O-OH 3.27Å; G228-H284 PolarHBondContact O-CE1 3.5Å; G228-H284 PolarHBondContact O-NE2 3.07Å
229	I	94.2	Very high	92.4	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.082	29%	0.289	C	S	.	.			trans	-80.4	119.2	-176.2	-67.2	165.2	0	0	0	110.6	L215 I216 A219 K224 L227 Y235	L215-I229 HydrophobicContact CD1-CD1 3.94Å; L215-I229 HydrophobicContact CD2-CD1 4.2Å; L215-I229 HydrophobicContact CG-CD1 3.78Å; I216-I229 HydrophobicContact CB-CG2 4.33Å; I216-I229 HydrophobicContact CG1-CG2 4.06Å; I216-I229 HydrophobicContact CG2-CG2 4.27Å; A219-I229 HydrophobicContact CB-CD1 3.93Å; K224-I229 HydrophobicContact CB-CB 4.04Å; K224-I229 HydrophobicContact CB-CG2 4.49Å; K224-I229 HydrophobicContact CD-CG2 4.11Å; K224-I229 HydrophobicContact CG-CB 3.91Å; K224-I229 HydrophobicContact CG-CD1 4.37Å; K224-I229 HydrophobicContact CG-CG2 3.9Å; K224-I229 PolarHBondContact O-N 2.92Å; L227-I229 VanDerWaalsContact C-N 3.31Å; L227-I229 HydrophobicContact CB-CD1 3.76Å; L227-I229 HydrophobicContact CB-CG1 3.84Å; L227-I229 HydrophobicContact CD1-CD1 3.9Å; L227-I229 HydrophobicContact CG-CD1 4.45Å; L227-I229 PolarHBondContact O-N 2.87Å; I229-Y235 WeakPolarHBondContact CA-OH 3.27Å
230	T	92.1	Very high	91.8	Very high	67 Å²	67	56.4 Å²	56.4	41%	0.411	31%	0.309	S	S	.	.			trans	-107.2	-136.2	177.9	57.9	0	0	0	0	110.7	G228 Y234 Y235	G228-T230 PolarHBondContact O-N 2.97Å; T230-Y234 HydrophobicContact CG2-CD1 4.44Å; T230-Y234 WeakPolarHBondContact OG1-CB 3.47Å; T230-Y234 WeakPolarHBondContact OG1-CD1 3.21Å; T230-Y235 PolarHBondContact N-OH 2.77Å
231	S	91.3	Very high	91.1	Very high	54 Å²	54	54.4 Å²	54.4	38%	0.378	30%	0.295	S	S	.	.			trans	-100	163.3	177.8	58.3	0	0	0	0	111.9	D233 Y234 Y235	S231-D233 WeakPolarHBondContact CB-OD1 3.46Å; S231-D233 PolarHBondContact O-N 3.43Å; S231-D233 PolarHBondContact OG-OD1 2.74Å; S231-Y234 PolarHBondContact O-N 3.19Å; S231-Y235 WeakPolarHBondContact O-CD2 3.31Å
232	L	90.4	Very high	90.4	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.4	-174.8	-67.3	166.5	0	0	0	113.8	Y213 I216 L238 Y244	Y213-L232 HydrophobicContact CD1-CD2 3.87Å; Y213-L232 HydrophobicContact CE1-CD2 4.48Å; I216-L232 HydrophobicContact CB-CD2 3.94Å; I216-L232 HydrophobicContact CD1-CD2 3.73Å; I216-L232 HydrophobicContact CG1-CD2 4.44Å; I216-L232 HydrophobicContact CG2-CD2 3.78Å; I216-L232 HydrophobicContact CG2-CG 4.01Å; L232-L238 HydrophobicContact CD2-CD1 3.91Å; L232-L238 WeakPolarHBondContact O-CB 3.33Å; L232-Y244 HydrophobicContact CB-CD1 3.6Å; L232-Y244 HydrophobicContact CB-CE1 4.02Å; L232-Y244 HydrophobicContact CD1-CD1 4.32Å
233	D	90	Very high	89.9	Confident	92 Å²	92	47.4 Å²	47.4	49%	0.492	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.1	-179	56.2	-64.6	0	0	0	113.7	S231 Y235 N239 Y244	S231-D233 WeakPolarHBondContact CB-OD1 3.46Å; S231-D233 PolarHBondContact O-N 3.43Å; S231-D233 PolarHBondContact OG-OD1 2.74Å; D233-Y235 VanDerWaalsContact C-N 3.26Å; D233-Y235 PolarHBondContact O-N 3.24Å; D233-N239 WeakPolarHBondContact O-CB 3.42Å; D233-N239 PolarHBondContact O-ND2 2.78Å; D233-Y244 HydrophobicContact CB-CE1 4.43Å
234	Y	92.1	Very high	89.5	Confident	81 Å²	81	48 Å²	48	32%	0.318	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.2	175.9	170.6	-96.6	0	0	0	113	T230 S231 N287 F304	T230-Y234 HydrophobicContact CG2-CD1 4.44Å; T230-Y234 WeakPolarHBondContact OG1-CB 3.47Å; T230-Y234 WeakPolarHBondContact OG1-CD1 3.21Å; S231-Y234 PolarHBondContact O-N 3.19Å; Y234-N287 WeakPolarHBondContact CE1-ND2 3.48Å; Y234-N287 PolarHBondContact O-ND2 2.99Å; Y234-N287 PolarHBondContact O-OD1 2.86Å; Y234-F304 HydrophobicContact CE2-CE1 4.47Å
235	Y	94.4	Very high	89	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.278	C	S	.	.			trans	-94.5	118.1	-175.9	-60.9	-72	0	0	0	112.3	I216 G228 I229 T230 S231 D233 Y237 L238 N239 L283 H284 N287	I216-Y235 HydrophobicContact CD1-CD2 3.67Å; I216-Y235 HydrophobicContact CD1-CE2 3.68Å; I216-Y235 HydrophobicContact CG1-CE2 4.33Å; G228-Y235 PolarHBondContact O-OH 3.27Å; I229-Y235 WeakPolarHBondContact CA-OH 3.27Å; T230-Y235 PolarHBondContact N-OH 2.77Å; S231-Y235 WeakPolarHBondContact O-CD2 3.31Å; D233-Y235 VanDerWaalsContact C-N 3.26Å; D233-Y235 PolarHBondContact O-N 3.24Å; Y235-Y237 VanDerWaalsContact C-N 3.32Å; Y235-Y237 PolarHBondContact O-N 2.82Å; Y235-L238 HydrophobicContact CD2-CD1 4.2Å; Y235-L238 HydrophobicContact CG-CD1 4.48Å; Y235-L238 WeakPolarHBondContact O-CA 3.41Å; Y235-L238 PolarHBondContact O-N 3.42Å; Y235-N239 PolarHBondContact O-N 3.35Å; Y235-L283 HydrophobicContact CD1-CB 3.66Å; Y235-L283 HydrophobicContact CE1-CB 3.83Å; Y235-L283 HydrophobicContact CG-CB 4.19Å; Y235-L283 HydrophobicContact CG-CD2 4.31Å; Y235-H284 AromaticContact CE1-CE1 4Å; Y235-H284 AromaticContact CE1-ND1 3.91Å; Y235-N287 WeakPolarHBondContact CA-OD1 3.31Å
236	S	92.3	Very high	88.5	Confident	28 Å²	28	43.6 Å²	43.6	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-53.6	-44.7	176.8	177.8	0	0	0	0	112.8	R202 L238 N239 Q240 G286 N287	R202-S236 PolarHBondContact NH2-O 2.85Å; S236-L238 PolarHBondContact O-N 3.12Å; S236-N239 WeakPolarHBondContact CA-OD1 3.44Å; S236-N239 PolarHBondContact O-OD1 3.33Å; S236-Q240 VanDerWaalsContact O-CD 3.25Å; S236-Q240 VanDerWaalsContact O-CG 3.31Å; S236-Q240 WeakPolarHBondContact O-CG 3.23Å; S236-Q240 PolarHBondContact O-NE2 2.69Å; S236-Q240 VanDerWaalsContact O-NE2 3.08Å; S236-Q240 PolarHBondContact OG-NE2 2.74Å; S236-Q240 VanDerWaalsContact OG-NE2 3.12Å; S236-G286 VanDerWaalsContact CB-O 3.23Å; S236-G286 WeakPolarHBondContact CB-O 3.43Å; S236-N287 PolarHBondContact N-OD1 3.37Å
237	Y	92.8	Very high	87.6	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-1.9	176	-67.3	-21.4	0	0	0	114.6	V200 R202 Y235 V282 D353 S356	V200-Y237 HydrophobicContact CB-CD1 4.01Å; V200-Y237 HydrophobicContact CB-CE1 3.61Å; V200-Y237 HydrophobicContact CG1-CD1 4.22Å; V200-Y237 HydrophobicContact CG1-CE1 3.61Å; V200-Y237 HydrophobicContact CG1-CE2 4.02Å; V200-Y237 VanDerWaalsContact CG1-CZ 3.48Å; R202-Y237 PolarHBondContact NE-O 2.74Å; R202-Y237 PolarHBondContact NH1-O 3.49Å; R202-Y237 PolarHBondContact NH2-O 2.9Å; R202-Y237 VanDerWaalsContact NH2-O 3.08Å; Y235-Y237 VanDerWaalsContact C-N 3.32Å; Y235-Y237 PolarHBondContact O-N 2.82Å; Y237-V282 HydrophobicContact CD2-CG1 4.47Å; Y237-V282 WeakPolarHBondContact CD2-O 3.39Å; Y237-V282 VanDerWaalsContact CE2-O 3.3Å; Y237-V282 WeakPolarHBondContact CE2-O 3.37Å; Y237-D353 WeakPolarHBondContact CE1-OD1 3.39Å; Y237-D353 PolarHBondContact OH-OD1 2.6Å; Y237-S356 VanDerWaalsContact CE2-OG 3.28Å; Y237-S356 WeakPolarHBondContact CE2-OG 3.29Å; Y237-S356 WeakPolarHBondContact OH-CB 3.29Å; Y237-S356 PolarHBondContact OH-OG 3.5Å
238	L	91.7	Very high	86.8	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-115.3	-47	172.1	-57.4	-179.3	0	0	0	112	R202 F212 Y213 I216 L232 Y235 S236 Q240 L283	R202-L238 PolarHBondContact NH2-O 3.37Å; R202-L238 VanDerWaalsContact NH2-O 3.12Å; F212-L238 HydrophobicContact CB-CD2 3.88Å; F212-L238 HydrophobicContact CG-CD2 4.49Å; Y213-L238 HydrophobicContact CE1-CD2 4.24Å; Y213-L238 HydrophobicContact CE2-CD2 3.95Å; I216-L238 HydrophobicContact CD1-CD1 3.4Å; I216-L238 VanDerWaalsContact CD1-CD1 3.4Å; L232-L238 HydrophobicContact CD2-CD1 3.91Å; L232-L238 WeakPolarHBondContact O-CB 3.33Å; Y235-L238 HydrophobicContact CD2-CD1 4.2Å; Y235-L238 HydrophobicContact CG-CD1 4.48Å; Y235-L238 WeakPolarHBondContact O-CA 3.41Å; Y235-L238 PolarHBondContact O-N 3.42Å; S236-L238 PolarHBondContact O-N 3.12Å; L238-Q240 PolarHBondContact O-N 2.64Å; L238-L283 HydrophobicContact CD1-CD2 3.79Å; L238-L283 HydrophobicContact CD2-CD2 4.1Å; L238-L283 HydrophobicContact CG-CD2 3.79Å
239	N	87.4	Confident	86.4	Confident	57 Å²	57	53.8 Å²	53.8	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-31.8	-167.1	66.2	20.9	0	0	0	116.4	D233 Y235 S236 S241 G242 Y244	D233-N239 WeakPolarHBondContact O-CB 3.42Å; D233-N239 PolarHBondContact O-ND2 2.78Å; Y235-N239 PolarHBondContact O-N 3.35Å; S236-N239 WeakPolarHBondContact CA-OD1 3.44Å; S236-N239 PolarHBondContact O-OD1 3.33Å; N239-S241 PolarHBondContact O-N 3.18Å; N239-G242 PolarHBondContact O-N 3.19Å; N239-Y244 WeakPolarHBondContact CA-OH 3.22Å; N239-Y244 HydrophobicContact CB-CE1 4.31Å; N239-Y244 WeakPolarHBondContact CB-OH 2.99Å
240	Q	80.6	Confident	86.3	Confident	106 Å²	106	57.6 Å²	57.6	50%	0.495	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22	-172	-57.3	157.9	6.9	0	0	116	S236 L238	S236-Q240 VanDerWaalsContact O-CD 3.25Å; S236-Q240 VanDerWaalsContact O-CG 3.31Å; S236-Q240 WeakPolarHBondContact O-CG 3.23Å; S236-Q240 PolarHBondContact O-NE2 2.69Å; S236-Q240 VanDerWaalsContact O-NE2 3.08Å; S236-Q240 PolarHBondContact OG-NE2 2.74Å; S236-Q240 VanDerWaalsContact OG-NE2 3.12Å; L238-Q240 PolarHBondContact O-N 2.64Å
241	S	80.1	Confident	86.4	Confident	10 Å²	10	55 Å²	55	7%	0.07	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-6.8	-176.7	70.5	0	0	0	0	115.1	G205 E206 N239 S243	G205-S241 PolarHBondContact N-O 3.46Å; E206-S241 WeakPolarHBondContact O-CB 3.44Å; E206-S241 PolarHBondContact O-OG 3.03Å; N239-S241 PolarHBondContact O-N 3.18Å; S241-S243 PolarHBondContact O-N 3.08Å; S241-S243 VanDerWaalsContact O-N 3.14Å
242	G	76.8	Confident	86.5	Confident	52 Å²	52	58.2 Å²	58.2	54%	0.536	30%	0.301	S	S	.	.			trans	66.8	0.2	-175.6	0	0	0	0	0	116.1	N239 Y244	N239-G242 PolarHBondContact O-N 3.19Å; G242-Y244 PolarHBondContact O-N 3.16Å
243	S	82.6	Confident	86.7	Confident	15 Å²	15	60.4 Å²	60.4	11%	0.105	32%	0.318	C	S	.	.			trans	-93.9	62.4	-168.2	-149.7	0	0	0	0	113	G205 E206 R207 S241	G205-S243 WeakPolarHBondContact O-CB 3.2Å; G205-S243 PolarHBondContact O-OG 2.84Å; E206-S243 VanDerWaalsContact O-CB 3.28Å; E206-S243 WeakPolarHBondContact O-CB 3.42Å; R207-S243 VanDerWaalsContact CG-O 3.29Å; R207-S243 WeakPolarHBondContact CG-O 3.33Å; R207-S243 PolarHBondContact NE-O 2.85Å; S241-S243 PolarHBondContact O-N 3.08Å; S241-S243 VanDerWaalsContact O-N 3.14Å
244	Y	84.1	Confident	86.9	Confident	75 Å²	75	58.2 Å²	58.2	29%	0.294	30%	0.304	S	S	.	.			trans	-72.6	-37.4	-172.8	-61.5	-63.3	0	0	0	114.7	R207 L232 D233 N239 G242	R207-Y244 PolarHBondContact NH2-O 3.22Å; L232-Y244 HydrophobicContact CB-CD1 3.6Å; L232-Y244 HydrophobicContact CB-CE1 4.02Å; L232-Y244 HydrophobicContact CD1-CD1 4.32Å; D233-Y244 HydrophobicContact CB-CE1 4.43Å; N239-Y244 WeakPolarHBondContact CA-OH 3.22Å; N239-Y244 HydrophobicContact CB-CE1 4.31Å; N239-Y244 WeakPolarHBondContact CB-OH 2.99Å; G242-Y244 PolarHBondContact O-N 3.16Å
245	K	82	Confident	87.1	Confident	141 Å²	141	54.7 Å²	54.7	61%	0.613	29%	0.291	S	S	*	.			trans	-127.6	157.9	-179	-64.3	-159.5	173.5	-155.9	0	112.1	E217	E217-K245 WeakPolarHBondContact OE1-CE 3.42Å; E217-K245 IonicContact OE1-NZ 3.29Å; E217-K245 PolarHBondContact OE1-NZ 2.95Å
246	V	82.1	Confident	87.1	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.036	32%	0.317	C	S	.	.			trans	-139.9	124	-179.3	176.5	0	0	0	0	108.1	K160 N165 D248 I249	K160-V246 HydrophobicContact CB-CG2 4.39Å; K160-V246 HydrophobicContact CD-CG2 3.71Å; K160-V246 HydrophobicContact CG-CG2 3.98Å; N165-V246 HydrophobicContact CB-CG1 3.85Å; V246-D248 PolarHBondContact O-N 3.32Å; V246-D248 VanDerWaalsContact O-N 3.17Å; V246-I249 HydrophobicContact CB-CB 4.14Å; V246-I249 HydrophobicContact CB-CD1 4.23Å; V246-I249 HydrophobicContact CB-CG1 4.38Å; V246-I249 HydrophobicContact CG1-CB 4.26Å; V246-I249 HydrophobicContact CG1-CD1 3.91Å; V246-I249 HydrophobicContact CG1-CG1 4.01Å; V246-I249 PolarHBondContact O-N 3.07Å
247	D	73.9	Confident	87.2	Confident	164 Å²	164	63 Å²	63	88%	0.877	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.9	-164.8	-43	-71.4	0	0	0	114
248	D	78.6	Confident	87.3	Confident	119 Å²	119	63 Å²	63	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.3	179.1	-53.3	-46.8	0	0	0	113.9	N165 V246	N165-D248 PolarHBondContact ND2-OD2 2.91Å; V246-D248 PolarHBondContact O-N 3.32Å; V246-D248 VanDerWaalsContact O-N 3.17Å
249	I	85.3	Confident	87.5	Confident	24 Å²	24	65 Å²	65	12%	0.123	34%	0.342	C	S	.	.			trans	-118.8	132.7	-167.8	-70.1	-179.8	0	0	0	110.9	N165 V246 D251	N165-I249 HydrophobicContact CB-CD1 4.22Å; N165-I249 WeakPolarHBondContact O-CD1 3.18Å; V246-I249 HydrophobicContact CB-CB 4.14Å; V246-I249 HydrophobicContact CB-CD1 4.23Å; V246-I249 HydrophobicContact CB-CG1 4.38Å; V246-I249 HydrophobicContact CG1-CB 4.26Å; V246-I249 HydrophobicContact CG1-CD1 3.91Å; V246-I249 HydrophobicContact CG1-CG1 4.01Å; V246-I249 PolarHBondContact O-N 3.07Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.49Å
250	N	92	Very high	87.8	Confident	97 Å²	97	68 Å²	68	52%	0.519	35%	0.354	S	S	.	.			trans	-112.1	82.7	172.6	-174.9	-15.1	0	0	0	109.3	K252 S253 E254	N250-K252 PolarHBondContact O-N 2.96Å; N250-K252 PolarHBondContact OD1-N 3.48Å; N250-S253 PolarHBondContact O-N 2.91Å; N250-S253 PolarHBondContact OD1-N 3.37Å; N250-E254 PolarHBondContact O-N 3.38Å
251	D	93.4	Very high	88.5	Confident	11 Å²	11	62.9 Å²	62.9	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-50.8	-34.6	-175.7	-63.4	-73	0	0	0	112.7	R207 Q214 E217 I249 F255	R207-D251 IonicContact CZ-OD1 3.43Å; R207-D251 IonicContact CZ-OD2 2.65Å; R207-D251 IonicContact NH1-OD1 2.64Å; R207-D251 PolarHBondContact NH1-OD1 3.29Å; R207-D251 IonicContact NH1-OD2 3.12Å; R207-D251 PolarHBondContact NH1-OD2 3.37Å; R207-D251 IonicContact NH2-OD1 3.9Å; R207-D251 IonicContact NH2-OD2 3.23Å; R207-D251 PolarHBondContact NH2-OD2 2.73Å; Q214-D251 WeakPolarHBondContact CA-O 3.49Å; Q214-D251 HydrophobicContact CG-CB 4.28Å; Q214-D251 WeakPolarHBondContact CG-O 3.24Å; E217-D251 HydrophobicContact CB-CB 4.12Å; E217-D251 HydrophobicContact CG-CB 4.33Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.49Å; D251-F255 WeakPolarHBondContact O-CB 3.39Å; D251-F255 PolarHBondContact O-N 2.73Å
252	K	93.8	Very high	89.2	Confident	122 Å²	122	62.4 Å²	62.4	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-36.8	176	174.4	166.7	-175.1	174.7	0	113.6	E217 N250	E217-K252 HydrophobicContact CB-CB 4.37Å; N250-K252 PolarHBondContact O-N 2.96Å; N250-K252 PolarHBondContact OD1-N 3.48Å
253	S	94.1	Very high	90	Very high	63 Å²	63	64.3 Å²	64.3	44%	0.441	33%	0.325	S	S	.	.	H	α-helix	trans	-73.9	-42	176.8	-165.8	0	0	0	0	111.2	N250 F255 L256 E257	N250-S253 PolarHBondContact O-N 2.91Å; N250-S253 PolarHBondContact OD1-N 3.37Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.23Å; S253-L256 PolarHBondContact O-N 3.06Å; S253-E257 PolarHBondContact O-N 2.86Å; S253-E257 VanDerWaalsContact O-N 3.14Å
254	E	94.3	Very high	90.5	Very high	46 Å²	46	66.1 Å²	66.1	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-30.7	177.8	-63.9	178	-179.8	0	0	112.2	Q214 N250 E257 T258	Q214-E254 HydrophobicContact CG-CB 4.16Å; Q214-E254 VanDerWaalsContact NE2-CB 3.28Å; Q214-E254 PolarHBondContact NE2-OE2 3.36Å; N250-E254 PolarHBondContact O-N 3.38Å; E254-E257 PolarHBondContact O-N 3.49Å; E254-T258 VanDerWaalsContact O-CB 3.29Å; E254-T258 WeakPolarHBondContact O-CB 3.35Å; E254-T258 PolarHBondContact O-N 3.44Å; E254-T258 PolarHBondContact O-OG1 3.21Å
255	F	96.1	Very high	90.9	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-44.7	170.9	-175.6	-110.5	0	0	0	112.3	Q214 L215 G218 D251 S253 T258 V259 L276	Q214-F255 HydrophobicContact CB-CB 3.95Å; Q214-F255 HydrophobicContact CB-CD2 4.14Å; Q214-F255 WeakPolarHBondContact O-CB 3.42Å; Q214-F255 WeakPolarHBondContact O-CD2 3.25Å; Q214-F255 WeakPolarHBondContact O-CG 3.5Å; L215-F255 HydrophobicContact CB-CE2 4.25Å; L215-F255 HydrophobicContact CD1-CE2 3.84Å; L215-F255 HydrophobicContact CD1-CZ 3.95Å; G218-F255 VanDerWaalsContact C-CD1 3.43Å; D251-F255 WeakPolarHBondContact O-CB 3.39Å; D251-F255 PolarHBondContact O-N 2.73Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.23Å; F255-T258 PolarHBondContact O-N 3.05Å; F255-V259 HydrophobicContact CD1-CG2 4.5Å; F255-V259 HydrophobicContact CE1-CG2 4.15Å; F255-V259 HydrophobicContact CE2-CG2 4.18Å; F255-V259 HydrophobicContact CZ-CG2 3.98Å; F255-V259 WeakPolarHBondContact O-CG2 3.17Å; F255-V259 PolarHBondContact O-N 3.23Å; F255-L276 HydrophobicContact CE2-CD1 4.23Å; F255-L276 HydrophobicContact CE2-CD2 4.04Å; F255-L276 HydrophobicContact CZ-CD1 3.9Å
256	L	94.9	Very high	91.4	Very high	108 Å²	108	59.2 Å²	59.2	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-65.8	-42.4	178.4	-64.6	172.8	0	0	0	111.4	S253 T258 V259 Q260	S253-L256 PolarHBondContact O-N 3.06Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 3.25Å; L256-V259 PolarHBondContact O-N 3.39Å; L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 PolarHBondContact O-N 3.38Å
257	E	94.5	Very high	92	Very high	95 Å²	95	59.2 Å²	59.2	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-39.3	174.3	-169.1	176.6	175.4	0	0	111.7	P151 S253 E254 Q260 A261	P151-E257 HydrophobicContact CB-CG 3.99Å; P151-E257 HydrophobicContact CG-CG 4.06Å; P151-E257 WeakPolarHBondContact CG-OE1 3.48Å; S253-E257 PolarHBondContact O-N 2.86Å; S253-E257 VanDerWaalsContact O-N 3.14Å; E254-E257 PolarHBondContact O-N 3.49Å; E257-Q260 PolarHBondContact O-N 2.94Å; E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 3.17Å
258	T	95.8	Very high	93	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-44.9	176.9	-60	0	0	0	0	112.1	L152 A155 F156 I211 E254 F255 L256 A261 M262	L152-T258 HydrophobicContact CD1-CG2 4.01Å; A155-T258 HydrophobicContact CB-CG2 3.68Å; A155-T258 WeakPolarHBondContact CB-OG1 3.49Å; F156-T258 HydrophobicContact CE2-CG2 4.31Å; I211-T258 HydrophobicContact CD1-CG2 4.31Å; E254-T258 VanDerWaalsContact O-CB 3.29Å; E254-T258 WeakPolarHBondContact O-CB 3.35Å; E254-T258 PolarHBondContact O-N 3.44Å; E254-T258 PolarHBondContact O-OG1 3.21Å; F255-T258 PolarHBondContact O-N 3.05Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 PolarHBondContact O-N 3.25Å; T258-A261 PolarHBondContact O-N 3.35Å; T258-M262 HydrophobicContact CG2-CE 4.36Å; T258-M262 WeakPolarHBondContact O-CG 3.47Å; T258-M262 PolarHBondContact O-N 2.88Å; T258-M262 VanDerWaalsContact O-N 3.1Å
259	V	95.2	Very high	93.8	Very high	45 Å²	45	50.6 Å²	50.6	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-67.9	-37.5	176.7	173.2	0	0	0	0	111.2	F255 L256 M262 D263	F255-V259 HydrophobicContact CD1-CG2 4.5Å; F255-V259 HydrophobicContact CE1-CG2 4.15Å; F255-V259 HydrophobicContact CE2-CG2 4.18Å; F255-V259 HydrophobicContact CZ-CG2 3.98Å; F255-V259 WeakPolarHBondContact O-CG2 3.17Å; F255-V259 PolarHBondContact O-N 3.23Å; L256-V259 PolarHBondContact O-N 3.39Å; V259-M262 PolarHBondContact O-N 2.84Å; V259-D263 PolarHBondContact O-N 3.15Å
260	Q	94.6	Very high	94.3	Very high	119 Å²	119	55.3 Å²	55.3	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-40.3	173.1	-176.6	176.6	-3.3	0	0	111.8	L256 E257 M262 D263 V264	L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 PolarHBondContact O-N 3.38Å; E257-Q260 PolarHBondContact O-N 2.94Å; Q260-M262 PolarHBondContact O-N 3.49Å; Q260-D263 WeakPolarHBondContact O-CB 3.4Å; Q260-D263 PolarHBondContact O-N 3.05Å; Q260-V264 WeakPolarHBondContact O-CG2 3.27Å; Q260-V264 PolarHBondContact O-N 3.31Å
261	A	94.7	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-43.8	175.5	0	0	0	0	0	111.8	Q148 P151 L152 E257 T258 D263 V264 I265	Q148-A261 HydrophobicContact CB-CB 4.21Å; Q148-A261 WeakPolarHBondContact O-CB 3.47Å; P151-A261 HydrophobicContact CB-CB 4.3Å; L152-A261 HydrophobicContact CB-CB 4.19Å; E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 3.17Å; T258-A261 PolarHBondContact O-N 3.35Å; A261-D263 VanDerWaalsContact C-N 3.27Å; A261-D263 PolarHBondContact O-N 2.82Å; A261-V264 PolarHBondContact O-N 2.98Å; A261-I265 WeakPolarHBondContact O-CB 3.01Å; A261-I265 VanDerWaalsContact O-CD1 3.26Å; A261-I265 WeakPolarHBondContact O-CD1 3.44Å; A261-I265 WeakPolarHBondContact O-CG1 3.24Å; A261-I265 PolarHBondContact O-N 3.35Å
262	M	95.5	Very high	94.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-38.6	174.1	-66.7	179.2	177.2	0	0	112.6	L152 F156 T258 V259 Q260 I265 G266 I267 R272 V275 L367	L152-M262 HydrophobicContact CD1-CE 3.53Å; L152-M262 HydrophobicContact CD1-CG 3.65Å; L152-M262 HydrophobicContact CD1-SD 4.47Å; L152-M262 HydrophobicContact CD2-CG 4.2Å; F156-M262 HydrophobicContact CE2-CE 3.59Å; F156-M262 HydrophobicContact CZ-CE 3.76Å; T258-M262 HydrophobicContact CG2-CE 4.36Å; T258-M262 WeakPolarHBondContact O-CG 3.47Å; T258-M262 PolarHBondContact O-N 2.88Å; T258-M262 VanDerWaalsContact O-N 3.1Å; V259-M262 PolarHBondContact O-N 2.84Å; Q260-M262 PolarHBondContact O-N 3.49Å; M262-I265 PolarHBondContact O-N 3Å; M262-G266 PolarHBondContact O-N 3Å; M262-I267 HydrophobicContact CB-CB 4.33Å; M262-I267 HydrophobicContact CB-CD1 4.16Å; M262-I267 HydrophobicContact CG-CD1 4.16Å; M262-I267 WeakPolarHBondContact O-CB 3.34Å; M262-I267 PolarHBondContact O-N 2.98Å; M262-R272 VanDerWaalsContact CB-CD 3.47Å; M262-R272 HydrophobicContact CB-CG 3.85Å; M262-R272 HydrophobicContact CG-CG 4.45Å; M262-R272 HydrophobicContact SD-CB 4.26Å; M262-R272 HydrophobicContact SD-CG 3.82Å; M262-V275 HydrophobicContact CE-CG1 3.88Å; M262-L367 HydrophobicContact CE-CD2 4.42Å
263	D	93.5	Very high	94.6	Very high	92 Å²	92	51.9 Å²	51.9	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-44.1	178.6	-162.3	67	0	0	0	111.8	V259 Q260 A261 I265 G266 R272	V259-D263 PolarHBondContact O-N 3.15Å; Q260-D263 WeakPolarHBondContact O-CB 3.4Å; Q260-D263 PolarHBondContact O-N 3.05Å; A261-D263 VanDerWaalsContact C-N 3.27Å; A261-D263 PolarHBondContact O-N 2.82Å; D263-I265 VanDerWaalsContact C-N 3.29Å; D263-I265 PolarHBondContact O-N 2.91Å; D263-G266 PolarHBondContact O-N 3.46Å; D263-R272 IonicContact OD1-CZ 2.87Å; D263-R272 IonicContact OD1-NH1 3.58Å; D263-R272 PolarHBondContact OD1-NH1 3.33Å; D263-R272 IonicContact OD1-NH2 2.74Å; D263-R272 PolarHBondContact OD1-NH2 2.92Å
264	V	91.2	Very high	94.8	Very high	52 Å²	52	51.4 Å²	51.4	32%	0.315	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-30.3	175.6	177.3	0	0	0	0	112.6	Q148 Q260 A261 G266	Q148-V264 HydrophobicContact CB-CB 4.47Å; Q148-V264 HydrophobicContact CB-CG1 4.35Å; Q148-V264 HydrophobicContact CG-CB 4.14Å; Q148-V264 HydrophobicContact CG-CG1 3.89Å; Q148-V264 HydrophobicContact CG-CG2 4.45Å; Q260-V264 WeakPolarHBondContact O-CG2 3.27Å; Q260-V264 PolarHBondContact O-N 3.31Å; A261-V264 PolarHBondContact O-N 2.98Å; V264-G266 PolarHBondContact O-N 2.73Å
265	I	92.6	Very high	94.9	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.041	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15	173.7	-68.6	159.7	0	0	0	111.8	I145 L152 A261 M262 D263 I267 I371 A374	I145-I265 HydrophobicContact CG2-CG1 4.38Å; L152-I265 HydrophobicContact CB-CD1 4.31Å; L152-I265 HydrophobicContact CD2-CD1 3.47Å; L152-I265 VanDerWaalsContact CD2-CD1 3.47Å; A261-I265 WeakPolarHBondContact O-CB 3.01Å; A261-I265 VanDerWaalsContact O-CD1 3.26Å; A261-I265 WeakPolarHBondContact O-CD1 3.44Å; A261-I265 WeakPolarHBondContact O-CG1 3.24Å; A261-I265 PolarHBondContact O-N 3.35Å; M262-I265 PolarHBondContact O-N 3Å; D263-I265 VanDerWaalsContact C-N 3.29Å; D263-I265 PolarHBondContact O-N 2.91Å; I265-I267 HydrophobicContact CB-CG1 4.46Å; I265-I267 HydrophobicContact CG2-CD1 4.28Å; I265-I267 HydrophobicContact CG2-CG1 3.99Å; I265-I371 HydrophobicContact CD1-CD1 4.35Å; I265-I371 HydrophobicContact CD1-CG1 3.77Å; I265-I371 HydrophobicContact CG1-CG1 4.28Å; I265-I371 HydrophobicContact CG2-CG1 3.93Å; I265-A374 WeakPolarHBondContact O-CB 3.47Å
266	G	92.4	Very high	95	Very high	64 Å²	64	49.3 Å²	49.3	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	19.9	179.4	0	0	0	0	0	114.7	M262 D263 V264 S268	M262-G266 PolarHBondContact O-N 3Å; D263-G266 PolarHBondContact O-N 3.46Å; V264-G266 PolarHBondContact O-N 2.73Å; G266-S268 PolarHBondContact O-N 2.8Å
267	I	95.6	Very high	95.1	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	27%	0.267	C	S	.	.			trans	-70.9	126.3	172.2	-55.5	-179.9	0	0	0	107.9	L152 M262 I265 D271 R272 Y366 L367	L152-I267 HydrophobicContact CD2-CD1 4.18Å; M262-I267 HydrophobicContact CB-CB 4.33Å; M262-I267 HydrophobicContact CB-CD1 4.16Å; M262-I267 HydrophobicContact CG-CD1 4.16Å; M262-I267 WeakPolarHBondContact O-CB 3.34Å; M262-I267 PolarHBondContact O-N 2.98Å; I265-I267 HydrophobicContact CB-CG1 4.46Å; I265-I267 HydrophobicContact CG2-CD1 4.28Å; I265-I267 HydrophobicContact CG2-CG1 3.99Å; I267-D271 HydrophobicContact CG2-CB 3.64Å; I267-R272 HydrophobicContact CB-CG 4.09Å; I267-R272 HydrophobicContact CG2-CG 3.74Å; I267-R272 PolarHBondContact O-NH1 3.29Å; I267-Y366 HydrophobicContact CG2-CE1 4.46Å; I267-L367 HydrophobicContact CD1-CD2 3.65Å
268	S	95.9	Very high	95.2	Very high	47 Å²	47	41.4 Å²	41.4	33%	0.329	25%	0.247	S	C	.	.			trans	-64.4	157.5	-172.7	79.5	0	0	0	0	112.9	G266 D270 D271 R272	G266-S268 PolarHBondContact O-N 2.8Å; S268-D270 PolarHBondContact O-N 2.91Å; S268-D271 WeakPolarHBondContact CB-OD2 3.49Å; S268-D271 PolarHBondContact O-N 3.02Å; S268-D271 WeakPolarHBondContact OG-CB 3.21Å; S268-D271 PolarHBondContact OG-N 3.34Å; S268-D271 PolarHBondContact OG-OD2 3.04Å; S268-R272 WeakPolarHBondContact O-CB 3.44Å; S268-R272 VanDerWaalsContact O-CG 3.27Å; S268-R272 WeakPolarHBondContact O-CG 3.26Å; S268-R272 PolarHBondContact O-N 2.78Å
269	A	95	Very high	95.3	Very high	55 Å²	55	41.4 Å²	41.4	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-58.5	-33.9	178.7	0	0	0	0	0	112.6	S273	A269-S273 WeakPolarHBondContact O-CB 3.24Å; A269-S273 PolarHBondContact O-N 2.71Å; A269-S273 VanDerWaalsContact O-N 3.14Å; A269-S273 PolarHBondContact O-OG 2.81Å
270	D	94.9	Very high	95.4	Very high	123 Å²	123	39.3 Å²	39.3	66%	0.658	23%	0.234	S	C	*	.	H	α-helix	trans	-72.3	-48.2	176.9	-56.1	-38.6	0	0	0	110.8	S268 R272 S273 M274	S268-D270 PolarHBondContact O-N 2.91Å; D270-R272 VanDerWaalsContact C-N 3.34Å; D270-R272 PolarHBondContact O-N 3.46Å; D270-S273 WeakPolarHBondContact O-CA 3.37Å; D270-S273 WeakPolarHBondContact O-CB 3.27Å; D270-S273 PolarHBondContact O-N 3.35Å; D270-M274 WeakPolarHBondContact O-CG 3.46Å; D270-M274 PolarHBondContact O-N 2.68Å
271	D	95.9	Very high	95.5	Very high	48 Å²	48	33.7 Å²	33.7	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-42.5	175.6	-67.7	-53.2	0	0	0	111.9	I267 S268 S273 M274 V275 Y366 F540	I267-D271 HydrophobicContact CG2-CB 3.64Å; S268-D271 WeakPolarHBondContact CB-OD2 3.49Å; S268-D271 PolarHBondContact O-N 3.02Å; S268-D271 WeakPolarHBondContact OG-CB 3.21Å; S268-D271 PolarHBondContact OG-N 3.34Å; S268-D271 PolarHBondContact OG-OD2 3.04Å; D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 2.83Å; D271-M274 PolarHBondContact O-N 3.06Å; D271-V275 WeakPolarHBondContact O-CG2 3.36Å; D271-V275 PolarHBondContact O-N 3.18Å; D271-Y366 WeakPolarHBondContact CB-OH 3.43Å; D271-Y366 VanDerWaalsContact CG-OH 3.29Å; D271-F540 HydrophobicContact CB-CE2 3.98Å; D271-F540 VanDerWaalsContact OD1-CD2 3.27Å; D271-F540 WeakPolarHBondContact OD1-CD2 3.48Å; D271-F540 VanDerWaalsContact OD1-CE2 3.24Å; D271-F540 WeakPolarHBondContact OD1-CE2 3.23Å
272	R	95.9	Very high	95.7	Very high	47 Å²	47	33.7 Å²	33.7	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-41.6	174.1	-70.8	-169.2	-57.2	-118.1	30.3	111.2	M262 D263 I267 S268 D270 V275 L276	M262-R272 VanDerWaalsContact CB-CD 3.47Å; M262-R272 HydrophobicContact CB-CG 3.85Å; M262-R272 HydrophobicContact CG-CG 4.45Å; M262-R272 HydrophobicContact SD-CB 4.26Å; M262-R272 HydrophobicContact SD-CG 3.82Å; D263-R272 IonicContact OD1-CZ 2.87Å; D263-R272 IonicContact OD1-NH1 3.58Å; D263-R272 PolarHBondContact OD1-NH1 3.33Å; D263-R272 IonicContact OD1-NH2 2.74Å; D263-R272 PolarHBondContact OD1-NH2 2.92Å; I267-R272 HydrophobicContact CB-CG 4.09Å; I267-R272 HydrophobicContact CG2-CG 3.74Å; I267-R272 PolarHBondContact O-NH1 3.29Å; S268-R272 WeakPolarHBondContact O-CB 3.44Å; S268-R272 VanDerWaalsContact O-CG 3.27Å; S268-R272 WeakPolarHBondContact O-CG 3.26Å; S268-R272 PolarHBondContact O-N 2.78Å; D270-R272 VanDerWaalsContact C-N 3.34Å; D270-R272 PolarHBondContact O-N 3.46Å; R272-V275 PolarHBondContact O-N 3.24Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 3.08Å; R272-L276 VanDerWaalsContact O-N 3.09Å
273	S	95.1	Very high	95.7	Very high	64 Å²	64	33.8 Å²	33.8	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-66.6	-42.6	178	-57.7	0	0	0	0	111.2	A269 D270 D271 L276 Q277	A269-S273 WeakPolarHBondContact O-CB 3.24Å; A269-S273 PolarHBondContact O-N 2.71Å; A269-S273 VanDerWaalsContact O-N 3.14Å; A269-S273 PolarHBondContact O-OG 2.81Å; D270-S273 WeakPolarHBondContact O-CA 3.37Å; D270-S273 WeakPolarHBondContact O-CB 3.27Å; D270-S273 PolarHBondContact O-N 3.35Å; D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 2.83Å; S273-L276 PolarHBondContact O-N 2.8Å; S273-Q277 VanDerWaalsContact O-CB 3.23Å; S273-Q277 WeakPolarHBondContact O-CB 3.04Å; S273-Q277 PolarHBondContact O-N 3.49Å
274	M	96.5	Very high	95.9	Very high	53 Å²	53	29.6 Å²	29.6	26%	0.261	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-40.3	174.7	-65.6	-65.5	144.2	0	0	112.6	D270 D271 Q277 I278 I538 F540	D270-M274 WeakPolarHBondContact O-CG 3.46Å; D270-M274 PolarHBondContact O-N 2.68Å; D271-M274 PolarHBondContact O-N 3.06Å; M274-Q277 PolarHBondContact O-N 3.07Å; M274-I278 WeakPolarHBondContact O-CG1 3.5Å; M274-I278 PolarHBondContact O-N 2.86Å; M274-I538 HydrophobicContact SD-CG2 3.64Å; M274-F540 HydrophobicContact CB-CB 4.16Å; M274-F540 HydrophobicContact CB-CD1 3.73Å; M274-F540 HydrophobicContact CB-CD2 4.09Å; M274-F540 HydrophobicContact CB-CE1 4.11Å; M274-F540 HydrophobicContact CB-CE2 4.43Å; M274-F540 HydrophobicContact CB-CG 3.73Å; M274-F540 HydrophobicContact CB-CZ 4.45Å; M274-F540 HydrophobicContact CG-CB 4.05Å; M274-F540 HydrophobicContact CG-CD2 4.45Å; M274-F540 HydrophobicContact CG-CG 4.12Å
275	V	97.4	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-48.7	174.4	163.7	0	0	0	0	111.2	F156 M262 D271 R272 Q277 I278 V279 V363 Y366 L367 F540	F156-V275 HydrophobicContact CE1-CG1 3.93Å; F156-V275 HydrophobicContact CZ-CG1 3.56Å; M262-V275 HydrophobicContact CE-CG1 3.88Å; D271-V275 WeakPolarHBondContact O-CG2 3.36Å; D271-V275 PolarHBondContact O-N 3.18Å; R272-V275 PolarHBondContact O-N 3.24Å; V275-Q277 VanDerWaalsContact C-N 3.32Å; V275-Q277 PolarHBondContact O-N 3.24Å; V275-I278 PolarHBondContact O-N 3.23Å; V275-V279 WeakPolarHBondContact O-CG2 3.47Å; V275-V279 PolarHBondContact O-N 2.86Å; V275-V279 VanDerWaalsContact O-N 3.11Å; V275-V363 HydrophobicContact CG1-CG1 3.88Å; V275-V363 HydrophobicContact CG2-CG1 4.37Å; V275-Y366 HydrophobicContact CG2-CD1 4.26Å; V275-Y366 HydrophobicContact CG2-CE1 4.12Å; V275-L367 HydrophobicContact CG1-CD2 4.47Å; V275-L367 HydrophobicContact CG2-CD2 4.32Å; V275-F540 HydrophobicContact CG2-CE1 4.25Å; V275-F540 HydrophobicContact CG2-CZ 3.79Å
276	L	96.9	Very high	96.3	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-33	177.8	-62.6	-178.3	0	0	0	112.3	I211 L215 L227 F255 R272 S273 V279 A280	I211-L276 HydrophobicContact CD1-CD2 4.3Å; L215-L276 HydrophobicContact CD1-CB 4.38Å; L215-L276 HydrophobicContact CD1-CD1 4.48Å; L215-L276 HydrophobicContact CD1-CD2 4.3Å; L227-L276 HydrophobicContact CD1-CB 4.47Å; F255-L276 HydrophobicContact CE2-CD1 4.23Å; F255-L276 HydrophobicContact CE2-CD2 4.04Å; F255-L276 HydrophobicContact CZ-CD1 3.9Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 3.08Å; R272-L276 VanDerWaalsContact O-N 3.09Å; S273-L276 PolarHBondContact O-N 2.8Å; L276-V279 PolarHBondContact O-N 2.68Å; L276-A280 PolarHBondContact O-N 2.72Å
277	Q	97.3	Very high	96.5	Very high	35 Å²	35	24.4 Å²	24.4	16%	0.164	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-40.7	174.5	177.7	171.7	-26	0	0	112.3	L227 S273 M274 V275 A280 G281 L311 I538	L227-Q277 HydrophobicContact CD2-CB 3.96Å; L227-Q277 HydrophobicContact CD2-CG 4.26Å; S273-Q277 VanDerWaalsContact O-CB 3.23Å; S273-Q277 WeakPolarHBondContact O-CB 3.04Å; S273-Q277 PolarHBondContact O-N 3.49Å; M274-Q277 PolarHBondContact O-N 3.07Å; V275-Q277 VanDerWaalsContact C-N 3.32Å; V275-Q277 PolarHBondContact O-N 3.24Å; Q277-A280 PolarHBondContact O-N 3.26Å; Q277-G281 PolarHBondContact O-N 3.49Å; Q277-L311 HydrophobicContact CG-CB 4.29Å; Q277-L311 HydrophobicContact CG-CD2 4.04Å; Q277-L311 WeakPolarHBondContact CG-O 3.3Å; Q277-L311 PolarHBondContact NE2-O 3.04Å; Q277-I538 VanDerWaalsContact NE2-CD1 3.35Å
278	I	97.8	Very high	96.5	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-38.1	173.9	-64.7	161.1	0	0	0	111.2	M274 V275 A280 G281 V282 L359 V363 F540 I541 L544	M274-I278 WeakPolarHBondContact O-CG1 3.5Å; M274-I278 PolarHBondContact O-N 2.86Å; V275-I278 PolarHBondContact O-N 3.23Å; I278-A280 VanDerWaalsContact C-N 3.34Å; I278-A280 PolarHBondContact O-N 3.31Å; I278-G281 PolarHBondContact O-N 3.1Å; I278-V282 HydrophobicContact CG2-CG2 4.45Å; I278-V282 WeakPolarHBondContact O-CG2 3.38Å; I278-V282 PolarHBondContact O-N 2.58Å; I278-L359 HydrophobicContact CG2-CB 4.04Å; I278-L359 HydrophobicContact CG2-CD2 4.06Å; I278-V363 HydrophobicContact CB-CG2 4.03Å; I278-V363 HydrophobicContact CD1-CG2 3.9Å; I278-V363 HydrophobicContact CG2-CG2 3.64Å; I278-F540 HydrophobicContact CD1-CD1 3.82Å; I278-F540 HydrophobicContact CD1-CE1 3.77Å; I278-I541 HydrophobicContact CD1-CG1 3.9Å; I278-I541 HydrophobicContact CG1-CD1 4.18Å; I278-I541 HydrophobicContact CG1-CG1 4.08Å; I278-L544 HydrophobicContact CD1-CD1 3.7Å
279	V	97.7	Very high	96.4	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-41.9	174.8	172.7	0	0	0	0	111.2	F156 I211 F212 L215 V275 L276 L283	F156-V279 HydrophobicContact CE1-CG2 3.7Å; F156-V279 HydrophobicContact CZ-CG2 4.26Å; I211-V279 HydrophobicContact CG1-CG1 4.16Å; I211-V279 HydrophobicContact CG1-CG2 4.23Å; I211-V279 HydrophobicContact CG2-CG1 4.47Å; F212-V279 HydrophobicContact CD1-CG1 3.58Å; F212-V279 HydrophobicContact CE1-CG1 3.78Å; L215-V279 HydrophobicContact CD2-CB 4.15Å; L215-V279 HydrophobicContact CD2-CG1 3.71Å; V275-V279 WeakPolarHBondContact O-CG2 3.47Å; V275-V279 PolarHBondContact O-N 2.86Å; V275-V279 VanDerWaalsContact O-N 3.11Å; L276-V279 PolarHBondContact O-N 2.68Å; V279-L283 PolarHBondContact O-N 2.76Å
280	A	97.5	Very high	96.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-42.4	171.4	0	0	0	0	0	112.1	L215 L227 L276 Q277 I278 V282 L283 H284 L311	L215-A280 HydrophobicContact CD2-CB 4.31Å; L227-A280 HydrophobicContact CB-CB 3.9Å; L227-A280 HydrophobicContact CD1-CB 4.36Å; L227-A280 HydrophobicContact CD2-CB 4.29Å; L227-A280 HydrophobicContact CG-CB 4.42Å; L276-A280 PolarHBondContact O-N 2.72Å; Q277-A280 PolarHBondContact O-N 3.26Å; I278-A280 VanDerWaalsContact C-N 3.34Å; I278-A280 PolarHBondContact O-N 3.31Å; A280-V282 PolarHBondContact O-N 3.02Å; A280-L283 WeakPolarHBondContact O-CB 3.3Å; A280-L283 PolarHBondContact O-N 3.34Å; A280-L283 VanDerWaalsContact O-N 3.14Å; A280-H284 PolarHBondContact O-CD2 3.27Å; A280-H284 PolarHBondContact O-N 3.19Å; A280-L311 HydrophobicContact CB-CD1 4.21Å
281	G	97.2	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.5	-45.9	176	0	0	0	0	0	112.8	Q277 I278 L283 H284 V285	Q277-G281 PolarHBondContact O-N 3.49Å; I278-G281 PolarHBondContact O-N 3.1Å; G281-L283 VanDerWaalsContact C-N 3.31Å; G281-L283 PolarHBondContact O-N 3.34Å; G281-H284 PolarHBondContact O-N 3.02Å; G281-V285 VanDerWaalsContact O-CG2 3.28Å; G281-V285 WeakPolarHBondContact O-CG2 3.36Å; G281-V285 PolarHBondContact O-N 3.24Å
282	V	97.7	Very high	96.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-39.5	175.6	168.2	0	0	0	0	112	V199 F212 Y237 I278 A280 G286 L359	V199-V282 HydrophobicContact CG1-CG1 3.65Å; F212-V282 HydrophobicContact CE1-CB 4.33Å; F212-V282 HydrophobicContact CE1-CG1 3.96Å; F212-V282 HydrophobicContact CZ-CG1 3.98Å; Y237-V282 HydrophobicContact CD2-CG1 4.47Å; Y237-V282 WeakPolarHBondContact CD2-O 3.39Å; Y237-V282 VanDerWaalsContact CE2-O 3.3Å; Y237-V282 WeakPolarHBondContact CE2-O 3.37Å; I278-V282 HydrophobicContact CG2-CG2 4.45Å; I278-V282 WeakPolarHBondContact O-CG2 3.38Å; I278-V282 PolarHBondContact O-N 2.58Å; A280-V282 PolarHBondContact O-N 3.02Å; V282-G286 PolarHBondContact O-N 2.99Å; V282-L359 HydrophobicContact CG2-CB 3.61Å; V282-L359 HydrophobicContact CG2-CD1 4.05Å; V282-L359 HydrophobicContact CG2-CG 4.49Å
283	L	96.7	Very high	95.8	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-44.2	176.5	-73.4	169.4	0	0	0	112.3	F212 I216 Y235 L238 V279 A280 G281 G286	F212-L283 HydrophobicContact CB-CD1 4.45Å; F212-L283 HydrophobicContact CB-CD2 4.22Å; F212-L283 HydrophobicContact CD1-CD1 3.88Å; F212-L283 HydrophobicContact CD1-CD2 3.71Å; F212-L283 HydrophobicContact CD1-CG 3.62Å; F212-L283 HydrophobicContact CE1-CD2 4.34Å; F212-L283 HydrophobicContact CE1-CG 4.14Å; F212-L283 HydrophobicContact CG-CD2 4.11Å; F212-L283 HydrophobicContact CG-CG 4.46Å; I216-L283 HydrophobicContact CD1-CD1 3.96Å; I216-L283 HydrophobicContact CG1-CD1 4.41Å; Y235-L283 HydrophobicContact CD1-CB 3.66Å; Y235-L283 HydrophobicContact CE1-CB 3.83Å; Y235-L283 HydrophobicContact CG-CB 4.19Å; Y235-L283 HydrophobicContact CG-CD2 4.31Å; L238-L283 HydrophobicContact CD1-CD2 3.79Å; L238-L283 HydrophobicContact CD2-CD2 4.1Å; L238-L283 HydrophobicContact CG-CD2 3.79Å; V279-L283 PolarHBondContact O-N 2.76Å; A280-L283 WeakPolarHBondContact O-CB 3.3Å; A280-L283 PolarHBondContact O-N 3.34Å; A280-L283 VanDerWaalsContact O-N 3.14Å; G281-L283 VanDerWaalsContact C-N 3.31Å; G281-L283 PolarHBondContact O-N 3.34Å; L283-G286 PolarHBondContact O-N 2.84Å
284	H	97.4	Very high	95.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-69.8	-36.9	177.4	-71.8	-75.2	0	0	0	112.8	L227 G228 Y235 A280 G281 G286 N287 F307 P308 L311	L227-H284 PolarHBondContact O-NE2 2.86Å; G228-H284 PolarHBondContact O-CE1 3.5Å; G228-H284 PolarHBondContact O-NE2 3.07Å; Y235-H284 AromaticContact CE1-CE1 4Å; Y235-H284 AromaticContact CE1-ND1 3.91Å; A280-H284 PolarHBondContact O-CD2 3.27Å; A280-H284 PolarHBondContact O-N 3.19Å; G281-H284 PolarHBondContact O-N 3.02Å; H284-G286 PolarHBondContact O-N 3.24Å; H284-N287 WeakPolarHBondContact O-CB 3.28Å; H284-N287 PolarHBondContact O-N 3.22Å; H284-F307 HydrophobicContact CB-CB 4.2Å; H284-F307 AromaticContact CE1-CG 3.95Å; H284-P308 HydrophobicContact CB-CG 3.81Å; H284-L311 VanDerWaalsContact CD2-CD1 3.42Å; H284-L311 WeakPolarHBondContact CD2-CD1 3.08Å
285	V	96.9	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-36.9	174.2	167.2	0	0	0	0	110.9	G281 N287 I288 P308 L312 R352 S356	G281-V285 VanDerWaalsContact O-CG2 3.28Å; G281-V285 WeakPolarHBondContact O-CG2 3.36Å; G281-V285 PolarHBondContact O-N 3.24Å; V285-N287 PolarHBondContact O-N 3.34Å; V285-I288 HydrophobicContact CG1-CD1 4.42Å; V285-I288 WeakPolarHBondContact O-CB 3.22Å; V285-I288 WeakPolarHBondContact O-CG1 3.31Å; V285-I288 PolarHBondContact O-N 3.15Å; V285-I288 VanDerWaalsContact O-N 3.15Å; V285-P308 HydrophobicContact CG2-CB 3.77Å; V285-P308 HydrophobicContact CG2-CG 4.07Å; V285-L312 HydrophobicContact CG2-CD1 4.22Å; V285-R352 HydrophobicContact CG1-CG 3.68Å; V285-R352 VanDerWaalsContact O-CD 3.28Å; V285-R352 WeakPolarHBondContact O-CD 3.4Å; V285-R352 WeakPolarHBondContact O-CG 3.4Å; V285-S356 VanDerWaalsContact CG1-OG 3.29Å; V285-S356 WeakPolarHBondContact CG1-OG 3.46Å
286	G	95	Very high	93.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.8	177.2	0	0	0	0	0	115.7	S236 V282 L283 H284	S236-G286 VanDerWaalsContact CB-O 3.23Å; S236-G286 WeakPolarHBondContact CB-O 3.43Å; V282-G286 PolarHBondContact O-N 2.99Å; L283-G286 PolarHBondContact O-N 2.84Å; H284-G286 PolarHBondContact O-N 3.24Å
287	N	95.7	Very high	93.6	Very high	14 Å²	14	37.3 Å²	37.3	8%	0.075	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.2	176.7	-73.9	8.1	0	0	0	113.3	Y234 Y235 S236 H284 V285 T289 F304	Y234-N287 WeakPolarHBondContact CE1-ND2 3.48Å; Y234-N287 PolarHBondContact O-ND2 2.99Å; Y234-N287 PolarHBondContact O-OD1 2.86Å; Y235-N287 WeakPolarHBondContact CA-OD1 3.31Å; S236-N287 PolarHBondContact N-OD1 3.37Å; H284-N287 WeakPolarHBondContact O-CB 3.28Å; H284-N287 PolarHBondContact O-N 3.22Å; V285-N287 PolarHBondContact O-N 3.34Å; N287-T289 PolarHBondContact O-N 2.94Å; N287-F304 HydrophobicContact CB-CD1 4.23Å
288	I	96.3	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.			trans	-69.9	111.8	172.7	-56.3	167.3	0	0	0	108.7	V285 F290 V299 L305 P308 L319 L323 R352	V285-I288 HydrophobicContact CG1-CD1 4.42Å; V285-I288 WeakPolarHBondContact O-CB 3.22Å; V285-I288 WeakPolarHBondContact O-CG1 3.31Å; V285-I288 PolarHBondContact O-N 3.15Å; V285-I288 VanDerWaalsContact O-N 3.15Å; I288-F290 HydrophobicContact CG2-CE1 4.08Å; I288-F290 HydrophobicContact CG2-CE2 4.29Å; I288-F290 HydrophobicContact CG2-CZ 3.81Å; I288-V299 HydrophobicContact CG2-CG1 4.27Å; I288-L305 HydrophobicContact CD1-CD2 3.86Å; I288-L305 HydrophobicContact CG1-CD2 4.12Å; I288-L305 HydrophobicContact CG2-CD2 4.01Å; I288-P308 HydrophobicContact CD1-CG 4.22Å; I288-L319 HydrophobicContact CD1-CD2 4.48Å; I288-L323 HydrophobicContact CD1-CD1 3.74Å; I288-L323 HydrophobicContact CG2-CD1 4.31Å; I288-R352 VanDerWaalsContact O-CD 3.24Å; I288-R352 WeakPolarHBondContact O-CD 3.31Å; I288-R352 PolarHBondContact O-NH1 3.13Å
289	T	94.3	Very high	93.1	Very high	50 Å²	50	37 Å²	37	31%	0.307	20%	0.202	S	C	.	.			trans	-102.3	155.5	173	52.9	0	0	0	0	111.6	N287 E300	N287-T289 PolarHBondContact O-N 2.94Å; T289-E300 VanDerWaalsContact CB-OE2 3.23Å; T289-E300 WeakPolarHBondContact CB-OE2 3.3Å; T289-E300 PolarHBondContact O-N 3.41Å; T289-E300 WeakPolarHBondContact OG1-CB 3.42Å; T289-E300 PolarHBondContact OG1-OE2 3.14Å
290	F	94.9	Very high	92.8	Very high	18 Å²	18	41.7 Å²	41.7	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.5	-178	-55.1	-83.6	0	0	0	109.9	I288 A298 V299 L323 T324 V345 A348 R352	I288-F290 HydrophobicContact CG2-CE1 4.08Å; I288-F290 HydrophobicContact CG2-CE2 4.29Å; I288-F290 HydrophobicContact CG2-CZ 3.81Å; F290-A298 CarbonylContact C-O 3.52Å; F290-A298 VanDerWaalsContact CA-O 3.27Å; F290-A298 WeakPolarHBondContact CA-O 3.2Å; F290-V299 HydrophobicContact CD1-CG2 4.07Å; F290-V299 HydrophobicContact CE1-CG2 3.87Å; F290-L323 HydrophobicContact CE1-CB 4.03Å; F290-L323 HydrophobicContact CZ-CB 3.99Å; F290-L323 HydrophobicContact CZ-CD1 4.3Å; F290-T324 HydrophobicContact CD1-CG2 4.14Å; F290-T324 HydrophobicContact CE1-CG2 4.03Å; F290-V345 HydrophobicContact CB-CG1 4.18Å; F290-A348 HydrophobicContact CB-CB 4.43Å; F290-A348 HydrophobicContact CD1-CB 3.74Å; F290-A348 HydrophobicContact CD2-CB 3.86Å; F290-A348 HydrophobicContact CE1-CB 3.85Å; F290-A348 HydrophobicContact CE2-CB 3.97Å; F290-A348 HydrophobicContact CG-CB 3.75Å; F290-A348 HydrophobicContact CZ-CB 3.96Å; F290-R352 HydrophobicContact CE2-CB 4.04Å; F290-R352 HydrophobicContact CZ-CB 4.24Å
291	R	93.4	Very high	92.6	Very high	129 Å²	129	43.4 Å²	43.4	49%	0.487	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	157.1	171.6	65.1	173.1	177	-107.2	-11.4	110.7	A298 E300	R291-A298 HydrophobicContact CG-CB 4.37Å; R291-A298 PolarHBondContact N-O 2.82Å; R291-A298 PolarHBondContact O-N 3.31Å; R291-E300 PolarHBondContact NH1-O 2.97Å
292	E	92.7	Very high	92.4	Very high	134 Å²	134	47.6 Å²	47.6	63%	0.626	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	136.4	172.2	-171.8	167.2	-154.6	0	0	110.9	N295 V345	E292-N295 WeakPolarHBondContact OE1-CA 3.27Å; E292-V345 HydrophobicContact CB-CG2 3.89Å
293	S	88.4	Confident	92.1	Very high	69 Å²	69	54.8 Å²	54.8	48%	0.483	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	91.6	-179.4	177.1	0	0	0	0	109.2	Y296	S293-Y296 PolarHBondContact N-O 2.76Å; S293-Y296 PolarHBondContact O-N 3.12Å
294	G	80.4	Confident	91.9	Very high	61 Å²	61	58.1 Å²	58.1	63%	0.629	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	48.2	-179.6	0	0	0	0	0	113.3	Y296	G294-Y296 WeakPolarHBondContact O-CD2 3.5Å; G294-Y296 PolarHBondContact O-N 3.04Å
295	N	78.9	Confident	91.8	Very high	126 Å²	126	57.9 Å²	57.9	67%	0.674	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	1.7	-176.4	-47.5	-11.9	0	0	0	115.5	E292	E292-N295 WeakPolarHBondContact OE1-CA 3.27Å
296	Y	88.8	Confident	91.7	Very high	122 Å²	122	59.9 Å²	59.9	48%	0.478	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	162.4	177.6	-58.5	-68.4	0	0	0	112.1	S293 G294 T342 L343	S293-Y296 PolarHBondContact N-O 2.76Å; S293-Y296 PolarHBondContact O-N 3.12Å; G294-Y296 WeakPolarHBondContact O-CD2 3.5Å; G294-Y296 PolarHBondContact O-N 3.04Å; Y296-T342 WeakPolarHBondContact CD1-O 3.4Å; Y296-T342 WeakPolarHBondContact CD1-OG1 3.45Å; Y296-T342 WeakPolarHBondContact CE1-OG1 3.38Å; Y296-L343 CarbonylContact C-O 3.57Å; Y296-L343 WeakPolarHBondContact CA-O 3.42Å
297	A	90.1	Very high	91.7	Very high	12 Å²	12	64 Å²	64	10%	0.099	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.7	173.2	0	0	0	0	0	111.7	T324 L343 V345 A348	A297-T324 HydrophobicContact CB-CG2 4.33Å; A297-L343 PolarHBondContact N-O 3.38Å; A297-V345 HydrophobicContact CB-CG2 4.48Å; A297-A348 HydrophobicContact CB-CB 3.56Å
298	A	91.3	Very high	91.7	Very high	25 Å²	25	63.4 Å²	63.4	21%	0.207	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145	159.8	0	0	0	0	0	109.2	F290 R291 E300	F290-A298 CarbonylContact C-O 3.52Å; F290-A298 VanDerWaalsContact CA-O 3.27Å; F290-A298 WeakPolarHBondContact CA-O 3.2Å; R291-A298 HydrophobicContact CG-CB 4.37Å; R291-A298 PolarHBondContact N-O 2.82Å; R291-A298 PolarHBondContact O-N 3.31Å; A298-E300 PolarHBondContact O-N 3.31Å
299	V	93.8	Very high	91.7	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.2	170	178.2	0	0	0	0	109	I288 F290 S301 L305 K320 T324	I288-V299 HydrophobicContact CG2-CG1 4.27Å; F290-V299 HydrophobicContact CD1-CG2 4.07Å; F290-V299 HydrophobicContact CE1-CG2 3.87Å; V299-S301 WeakPolarHBondContact CG1-O 3.46Å; V299-L305 HydrophobicContact CG1-CD1 4.17Å; V299-L305 HydrophobicContact CG1-CD2 4.24Å; V299-L305 HydrophobicContact CG1-CG 4.18Å; V299-L305 HydrophobicContact CG2-CD1 4.43Å; V299-L305 HydrophobicContact CG2-CD2 4.31Å; V299-K320 HydrophobicContact CG2-CG 4.22Å; V299-T324 HydrophobicContact CG2-CG2 4.2Å
300	E	92.3	Very high	91.8	Very high	100 Å²	100	68.3 Å²	68.3	47%	0.467	35%	0.352	S	S	.	.	S	Bend	trans	-76.6	-49	-173.7	-174.4	175.2	-153.9	0	0	112.4	T289 R291 A298	T289-E300 VanDerWaalsContact CB-OE2 3.23Å; T289-E300 WeakPolarHBondContact CB-OE2 3.3Å; T289-E300 PolarHBondContact O-N 3.41Å; T289-E300 WeakPolarHBondContact OG1-CB 3.42Å; T289-E300 PolarHBondContact OG1-OE2 3.14Å; R291-E300 PolarHBondContact NH1-O 2.97Å; A298-E300 PolarHBondContact O-N 3.31Å
301	S	92.8	Very high	91.9	Very high	37 Å²	37	67.5 Å²	67.5	26%	0.259	35%	0.349	S	S	.	.			trans	-130.3	127.4	168.7	176.9	0	0	0	0	110	V299 E303	V299-S301 WeakPolarHBondContact CG1-O 3.46Å; S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 3.07Å; S301-E303 PolarHBondContact OG-N 3.23Å
302	E	92.1	Very high	92	Very high	88 Å²	88	61.3 Å²	61.3	41%	0.411	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14	-177.5	-56.8	-168.2	-168	0	0	112.5	F304 L305 Q316 K320	E302-F304 PolarHBondContact O-N 3.46Å; E302-L305 HydrophobicContact CB-CD1 4.08Å; E302-L305 HydrophobicContact CG-CD1 4.33Å; E302-L305 VanDerWaalsContact O-CB 3.29Å; E302-L305 WeakPolarHBondContact O-CB 3.44Å; E302-L305 PolarHBondContact O-N 3.45Å; E302-Q316 PolarHBondContact O-NE2 2.81Å; E302-K320 WeakPolarHBondContact OE1-CE 3.17Å; E302-K320 IonicContact OE1-NZ 2.73Å; E302-K320 PolarHBondContact OE1-NZ 2.84Å; E302-K320 IonicContact OE2-NZ 3.23Å; E302-K320 PolarHBondContact OE2-NZ 3.22Å
303	E	91.7	Very high	92.2	Very high	153 Å²	153	55.6 Å²	55.6	72%	0.715	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-34.8	174.4	-60.6	179.4	162.4	0	0	111.8	S301 L305 A306	S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 3.07Å; S301-E303 PolarHBondContact OG-N 3.23Å; E303-L305 PolarHBondContact O-N 2.9Å; E303-A306 PolarHBondContact O-N 3.04Å
304	F	93.8	Very high	92.5	Very high	71 Å²	71	53 Å²	53	31%	0.311	28%	0.283	S	S	.	.	H	α-helix	trans	-71.8	-7.1	176.4	-63.8	-57.6	0	0	0	113.9	Y234 N287 E302 P308	Y234-F304 HydrophobicContact CE2-CE1 4.47Å; N287-F304 HydrophobicContact CB-CD1 4.23Å; E302-F304 PolarHBondContact O-N 3.46Å; F304-P308 WeakPolarHBondContact O-CD 3.49Å; F304-P308 VanDerWaalsContact O-CG 3.3Å; F304-P308 WeakPolarHBondContact O-CG 3.44Å
305	L	94.9	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-84.7	-26.1	172.2	-56	170	0	0	0	112.3	I288 V299 E302 E303 P308 A309 Q316 L319 K320	I288-L305 HydrophobicContact CD1-CD2 3.86Å; I288-L305 HydrophobicContact CG1-CD2 4.12Å; I288-L305 HydrophobicContact CG2-CD2 4.01Å; V299-L305 HydrophobicContact CG1-CD1 4.17Å; V299-L305 HydrophobicContact CG1-CD2 4.24Å; V299-L305 HydrophobicContact CG1-CG 4.18Å; V299-L305 HydrophobicContact CG2-CD1 4.43Å; V299-L305 HydrophobicContact CG2-CD2 4.31Å; E302-L305 HydrophobicContact CB-CD1 4.08Å; E302-L305 HydrophobicContact CG-CD1 4.33Å; E302-L305 VanDerWaalsContact O-CB 3.29Å; E302-L305 WeakPolarHBondContact O-CB 3.44Å; E302-L305 PolarHBondContact O-N 3.45Å; E303-L305 PolarHBondContact O-N 2.9Å; L305-P308 WeakPolarHBondContact O-CD 3.38Å; L305-A309 WeakPolarHBondContact O-CB 3.31Å; L305-A309 PolarHBondContact O-N 3.27Å; L305-Q316 HydrophobicContact CB-CG 3.72Å; L305-Q316 HydrophobicContact CD1-CG 4.32Å; L305-L319 HydrophobicContact CB-CD2 4.48Å; L305-L319 HydrophobicContact CD2-CD2 4.27Å; L305-L319 HydrophobicContact CD2-CG 4.37Å; L305-K320 HydrophobicContact CD1-CB 3.85Å; L305-K320 HydrophobicContact CD1-CD 4.09Å; L305-K320 HydrophobicContact CD1-CG 4.09Å
306	A	94.8	Very high	94.1	Very high	42 Å²	42	51.1 Å²	51.1	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-45.7	-170.7	0	0	0	0	0	113.4	E303 A309 F310	E303-A306 PolarHBondContact O-N 3.04Å; A306-A309 PolarHBondContact O-N 3.24Å; A306-F310 WeakPolarHBondContact O-CB 3.49Å; A306-F310 PolarHBondContact O-N 2.77Å
307	F	94.3	Very high	94.3	Very high	86 Å²	86	50 Å²	50	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-47.7	175.8	-89.9	-73.1	0	0	0	112.7	H284 A309 F310 L311	H284-F307 HydrophobicContact CB-CB 4.2Å; H284-F307 AromaticContact CE1-CG 3.95Å; F307-A309 PolarHBondContact O-N 3.27Å; F307-F310 PolarHBondContact O-N 2.91Å; F307-L311 HydrophobicContact CD1-CD1 4.43Å; F307-L311 VanDerWaalsContact O-CB 3.32Å; F307-L311 WeakPolarHBondContact O-CB 3.26Å; F307-L311 VanDerWaalsContact O-CG 3.24Å; F307-L311 WeakPolarHBondContact O-CG 3.45Å; F307-L311 PolarHBondContact O-N 2.89Å
308	P	96	Very high	94.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-44.9	171	-32.5	40.3	0	0	0	114.3	H284 V285 I288 F304 L305 L312 L319	H284-P308 HydrophobicContact CB-CG 3.81Å; V285-P308 HydrophobicContact CG2-CB 3.77Å; V285-P308 HydrophobicContact CG2-CG 4.07Å; I288-P308 HydrophobicContact CD1-CG 4.22Å; F304-P308 WeakPolarHBondContact O-CD 3.49Å; F304-P308 VanDerWaalsContact O-CG 3.3Å; F304-P308 WeakPolarHBondContact O-CG 3.44Å; L305-P308 WeakPolarHBondContact O-CD 3.38Å; P308-L312 VanDerWaalsContact O-CB 3.26Å; P308-L312 WeakPolarHBondContact O-CB 3.43Å; P308-L312 WeakPolarHBondContact O-CG 3.41Å; P308-L312 PolarHBondContact O-N 2.84Å; P308-L319 HydrophobicContact CB-CD2 3.75Å
309	A	95.8	Very high	94.6	Very high	8 Å²	8	54.3 Å²	54.3	7%	0.066	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-51.1	178.3	0	0	0	0	0	111.4	L305 A306 F307 G313 I314 Q316	L305-A309 WeakPolarHBondContact O-CB 3.31Å; L305-A309 PolarHBondContact O-N 3.27Å; A306-A309 PolarHBondContact O-N 3.24Å; F307-A309 PolarHBondContact O-N 3.27Å; A309-G313 WeakPolarHBondContact O-CA 3.48Å; A309-G313 PolarHBondContact O-N 3.19Å; A309-I314 CarbonylContact C-O 3.58Å; A309-I314 WeakPolarHBondContact CB-O 3.5Å; A309-I314 PolarHBondContact O-N 3Å; A309-Q316 HydrophobicContact CB-CB 3.97Å; A309-Q316 HydrophobicContact CB-CG 4.47Å
310	F	96.3	Very high	94.6	Very high	145 Å²	145	56.6 Å²	56.6	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-61.2	-51	177.1	176.7	-104.3	0	0	0	112.9	A306 F307 L312 G313	A306-F310 WeakPolarHBondContact O-CB 3.49Å; A306-F310 PolarHBondContact O-N 2.77Å; F307-F310 PolarHBondContact O-N 2.91Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 3.22Å; F310-G313 PolarHBondContact O-N 3.35Å; F310-G313 VanDerWaalsContact O-N 3.17Å
311	L	96.6	Very high	94.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-27.9	-175.5	-65.9	171.1	0	0	0	112.9	L227 Q277 A280 H284 F307	L227-L311 HydrophobicContact CD2-CD2 4.03Å; Q277-L311 HydrophobicContact CG-CB 4.29Å; Q277-L311 HydrophobicContact CG-CD2 4.04Å; Q277-L311 WeakPolarHBondContact CG-O 3.3Å; Q277-L311 PolarHBondContact NE2-O 3.04Å; A280-L311 HydrophobicContact CB-CD1 4.21Å; H284-L311 VanDerWaalsContact CD2-CD1 3.42Å; H284-L311 WeakPolarHBondContact CD2-CD1 3.08Å; F307-L311 HydrophobicContact CD1-CD1 4.43Å; F307-L311 VanDerWaalsContact O-CB 3.32Å; F307-L311 WeakPolarHBondContact O-CB 3.26Å; F307-L311 VanDerWaalsContact O-CG 3.24Å; F307-L311 WeakPolarHBondContact O-CG 3.45Å; F307-L311 PolarHBondContact O-N 2.89Å
312	L	96.7	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-93.7	-1.6	174.5	-58.6	176.2	0	0	0	113.1	V285 P308 F310 I314 L359 M533 S536 I541	V285-L312 HydrophobicContact CG2-CD1 4.22Å; P308-L312 VanDerWaalsContact O-CB 3.26Å; P308-L312 WeakPolarHBondContact O-CB 3.43Å; P308-L312 WeakPolarHBondContact O-CG 3.41Å; P308-L312 PolarHBondContact O-N 2.84Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 3.22Å; L312-I314 VanDerWaalsContact C-N 3.3Å; L312-I314 HydrophobicContact CB-CD1 4.01Å; L312-I314 HydrophobicContact CB-CG1 4.1Å; L312-I314 HydrophobicContact CD1-CD1 4.21Å; L312-I314 PolarHBondContact O-N 2.88Å; L312-L359 HydrophobicContact CD1-CD1 3.97Å; L312-L359 HydrophobicContact CD2-CD1 4.02Å; L312-L359 HydrophobicContact CD2-CD2 4.3Å; L312-M533 HydrophobicContact CD1-CE 4.21Å; L312-M533 HydrophobicContact CD1-SD 4.49Å; L312-S536 WeakPolarHBondContact O-CB 3.07Å; L312-S536 PolarHBondContact O-OG 3.08Å; L312-I541 HydrophobicContact CB-CD1 4.23Å; L312-I541 HydrophobicContact CD2-CD1 3.99Å; L312-I541 WeakPolarHBondContact O-CD1 3.38Å
313	G	96	Very high	94.5	Very high	14 Å²	14	50.2 Å²	50.2	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	36.7	-179.5	0	0	0	0	0	113.5	A309 F310 S536 E537	A309-G313 WeakPolarHBondContact O-CA 3.48Å; A309-G313 PolarHBondContact O-N 3.19Å; F310-G313 PolarHBondContact O-N 3.35Å; F310-G313 VanDerWaalsContact O-N 3.17Å; G313-S536 CarbonylContact O-C 3.56Å; G313-S536 VanDerWaalsContact O-CA 3.27Å; G313-S536 WeakPolarHBondContact O-CA 3.25Å; G313-S536 PolarHBondContact O-OG 2.87Å; G313-E537 PolarHBondContact O-N 2.62Å
314	I	96.4	Very high	94.5	Very high	14 Å²	14	44 Å²	44	7%	0.072	22%	0.215	C	C	.	.			trans	-118.6	154.9	-178.4	59.8	-175.5	0	0	0	110.6	A309 L312 L319 L532 M533	A309-I314 CarbonylContact C-O 3.58Å; A309-I314 WeakPolarHBondContact CB-O 3.5Å; A309-I314 PolarHBondContact O-N 3Å; L312-I314 VanDerWaalsContact C-N 3.3Å; L312-I314 HydrophobicContact CB-CD1 4.01Å; L312-I314 HydrophobicContact CB-CG1 4.1Å; L312-I314 HydrophobicContact CD1-CD1 4.21Å; L312-I314 PolarHBondContact O-N 2.88Å; I314-L319 HydrophobicContact CD1-CB 4.13Å; I314-L319 HydrophobicContact CD1-CD1 3.98Å; I314-L319 HydrophobicContact CD1-CD2 4.31Å; I314-L319 HydrophobicContact CD1-CG 4.36Å; I314-L532 HydrophobicContact CD1-CD1 4.38Å; I314-L532 HydrophobicContact CD1-CD2 4.23Å; I314-L532 HydrophobicContact CD1-CG 4.21Å; I314-M533 HydrophobicContact CD1-CE 3.73Å; I314-M533 HydrophobicContact CG2-CE 4.26Å
315	D	96.1	Very high	94.2	Very high	83 Å²	83	41.2 Å²	41.2	44%	0.444	20%	0.204	S	C	.	.			trans	-64.7	140.9	172.5	169.3	-117.2	0	0	0	112.4	D317 R318 L319	D315-D317 PolarHBondContact OD1-N 2.69Å; D315-R318 HydrophobicContact CB-CB 4.1Å; D315-R318 HydrophobicContact CB-CG 4.28Å; D315-R318 WeakPolarHBondContact OD1-CB 3.41Å; D315-R318 VanDerWaalsContact OD1-CG 3.29Å; D315-R318 WeakPolarHBondContact OD1-CG 3.24Å; D315-R318 PolarHBondContact OD1-N 3.29Å; D315-L319 PolarHBondContact O-N 3.02Å
316	Q	95.1	Very high	93.6	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-73.2	-40.5	-174.3	-177.7	173.1	-33.2	0	0	112.3	E302 L305 A309 L319 K320	E302-Q316 PolarHBondContact O-NE2 2.81Å; L305-Q316 HydrophobicContact CB-CG 3.72Å; L305-Q316 HydrophobicContact CD1-CG 4.32Å; A309-Q316 HydrophobicContact CB-CB 3.97Å; A309-Q316 HydrophobicContact CB-CG 4.47Å; Q316-L319 PolarHBondContact O-N 2.7Å; Q316-K320 WeakPolarHBondContact O-CB 3.44Å; Q316-K320 PolarHBondContact O-N 3.25Å
317	D	93.9	Very high	92.8	Very high	100 Å²	100	45.1 Å²	45.1	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-71.9	-35	178.8	-82.2	-45.3	0	0	0	111.4	D315 K320 E321	D315-D317 PolarHBondContact OD1-N 2.69Å; D317-K320 WeakPolarHBondContact O-CB 3.46Å; D317-K320 PolarHBondContact O-N 2.96Å; D317-K320 IonicContact OD1-NZ 2.78Å; D317-E321 WeakPolarHBondContact O-CB 3.21Å; D317-E321 PolarHBondContact O-N 3Å
318	R	92.8	Very high	91.7	Very high	127 Å²	127	45.1 Å²	45.1	48%	0.479	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-40.6	168.5	-80.2	176.1	156	-147.7	-3.5	113.4	D315 K320 E321 K322 L532 S535	D315-R318 HydrophobicContact CB-CB 4.1Å; D315-R318 HydrophobicContact CB-CG 4.28Å; D315-R318 WeakPolarHBondContact OD1-CB 3.41Å; D315-R318 VanDerWaalsContact OD1-CG 3.29Å; D315-R318 WeakPolarHBondContact OD1-CG 3.24Å; D315-R318 PolarHBondContact OD1-N 3.29Å; R318-K320 VanDerWaalsContact C-N 3.35Å; R318-E321 PolarHBondContact O-N 2.73Å; R318-K322 WeakPolarHBondContact O-CB 3.42Å; R318-K322 WeakPolarHBondContact O-CG 3.42Å; R318-K322 PolarHBondContact O-N 2.81Å; R318-L532 HydrophobicContact CB-CD1 3.92Å; R318-S535 PolarHBondContact NH1-OG 3.43Å
319	L	94.1	Very high	90.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.1	175.5	62.6	0	0	0	110.6	I288 L305 P308 I314 D315 Q316 L323 L355 L532	I288-L319 HydrophobicContact CD1-CD2 4.48Å; L305-L319 HydrophobicContact CB-CD2 4.48Å; L305-L319 HydrophobicContact CD2-CD2 4.27Å; L305-L319 HydrophobicContact CD2-CG 4.37Å; P308-L319 HydrophobicContact CB-CD2 3.75Å; I314-L319 HydrophobicContact CD1-CB 4.13Å; I314-L319 HydrophobicContact CD1-CD1 3.98Å; I314-L319 HydrophobicContact CD1-CD2 4.31Å; I314-L319 HydrophobicContact CD1-CG 4.36Å; D315-L319 PolarHBondContact O-N 3.02Å; Q316-L319 PolarHBondContact O-N 2.7Å; L319-L323 HydrophobicContact CD1-CD1 3.72Å; L319-L323 HydrophobicContact CD1-CG 4.06Å; L319-L323 HydrophobicContact CG-CD1 4.01Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.4Å; L319-L323 PolarHBondContact O-N 3.31Å; L319-L323 VanDerWaalsContact O-N 3.11Å; L319-L355 HydrophobicContact CD1-CD2 4.39Å; L319-L532 HydrophobicContact CD1-CD2 3.88Å
320	K	94.3	Very high	88.7	Confident	55 Å²	55	50.7 Å²	50.7	24%	0.239	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-51.7	174.9	-177	177.5	168	-174	0	111.8	V299 E302 L305 Q316 D317 R318 L323 T324	V299-K320 HydrophobicContact CG2-CG 4.22Å; E302-K320 WeakPolarHBondContact OE1-CE 3.17Å; E302-K320 IonicContact OE1-NZ 2.73Å; E302-K320 PolarHBondContact OE1-NZ 2.84Å; E302-K320 IonicContact OE2-NZ 3.23Å; E302-K320 PolarHBondContact OE2-NZ 3.22Å; L305-K320 HydrophobicContact CD1-CB 3.85Å; L305-K320 HydrophobicContact CD1-CD 4.09Å; L305-K320 HydrophobicContact CD1-CG 4.09Å; Q316-K320 WeakPolarHBondContact O-CB 3.44Å; Q316-K320 PolarHBondContact O-N 3.25Å; D317-K320 WeakPolarHBondContact O-CB 3.46Å; D317-K320 PolarHBondContact O-N 2.96Å; D317-K320 IonicContact OD1-NZ 2.78Å; R318-K320 VanDerWaalsContact C-N 3.35Å; K320-L323 PolarHBondContact O-N 2.62Å; K320-T324 PolarHBondContact O-N 2.84Å; K320-T324 PolarHBondContact O-OG1 3.42Å
321	E	91.9	Very high	86.8	Confident	73 Å²	73	51.1 Å²	51.1	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-51.5	-61.8	175.3	-174.2	-156.4	136.4	0	0	110.1	D317 R318 L323 T324 S325	D317-E321 WeakPolarHBondContact O-CB 3.21Å; D317-E321 PolarHBondContact O-N 3Å; R318-E321 PolarHBondContact O-N 2.73Å; E321-L323 PolarHBondContact O-N 3.04Å; E321-L323 VanDerWaalsContact O-N 3.14Å; E321-T324 CarbonylContact O-C 3.52Å; E321-T324 PolarHBondContact O-N 2.94Å; E321-T324 PolarHBondContact O-OG1 3.03Å; E321-S325 PolarHBondContact O-N 3.31Å; E321-S325 PolarHBondContact O-OG 2.88Å
322	K	91.1	Very high	84.6	Confident	17 Å²	17	61.4 Å²	61.4	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-71.2	-9.1	-172.3	-62.6	-43	-165.4	-176.1	0	115.4	R318 T351 D528 L532	R318-K322 WeakPolarHBondContact O-CB 3.42Å; R318-K322 WeakPolarHBondContact O-CG 3.42Å; R318-K322 PolarHBondContact O-N 2.81Å; K322-T351 WeakPolarHBondContact O-CG2 3.12Å; K322-D528 HydrophobicContact CD-CB 4.06Å; K322-D528 WeakPolarHBondContact CE-OD1 3.39Å; K322-D528 IonicContact NZ-OD1 3.24Å; K322-D528 PolarHBondContact NZ-OD1 3.19Å; K322-L532 HydrophobicContact CB-CD2 4.16Å; K322-L532 HydrophobicContact CG-CB 4.41Å; K322-L532 HydrophobicContact CG-CD1 4.31Å
323	L	91.4	Very high	83.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-89.6	-23.2	167.8	-71.5	177	0	0	0	113	I288 F290 L319 K320 E321 A348 T351 R352	I288-L323 HydrophobicContact CD1-CD1 3.74Å; I288-L323 HydrophobicContact CG2-CD1 4.31Å; F290-L323 HydrophobicContact CE1-CB 4.03Å; F290-L323 HydrophobicContact CZ-CB 3.99Å; F290-L323 HydrophobicContact CZ-CD1 4.3Å; L319-L323 HydrophobicContact CD1-CD1 3.72Å; L319-L323 HydrophobicContact CD1-CG 4.06Å; L319-L323 HydrophobicContact CG-CD1 4.01Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.4Å; L319-L323 PolarHBondContact O-N 3.31Å; L319-L323 VanDerWaalsContact O-N 3.11Å; K320-L323 PolarHBondContact O-N 2.62Å; E321-L323 PolarHBondContact O-N 3.04Å; E321-L323 VanDerWaalsContact O-N 3.14Å; L323-A348 WeakPolarHBondContact O-CA 3.5Å; L323-A348 WeakPolarHBondContact O-CB 3.5Å; L323-T351 HydrophobicContact CD2-CG2 4.3Å; L323-R352 HydrophobicContact CD2-CB 4.01Å
324	T	91.5	Very high	81.5	Confident	23 Å²	23	72.6 Å²	72.6	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-112.7	-10.7	-177.1	61.5	0	0	0	0	115.3	F290 A297 V299 K320 E321 L343	F290-T324 HydrophobicContact CD1-CG2 4.14Å; F290-T324 HydrophobicContact CE1-CG2 4.03Å; A297-T324 HydrophobicContact CB-CG2 4.33Å; V299-T324 HydrophobicContact CG2-CG2 4.2Å; K320-T324 PolarHBondContact O-N 2.84Å; K320-T324 PolarHBondContact O-OG1 3.42Å; E321-T324 CarbonylContact O-C 3.52Å; E321-T324 PolarHBondContact O-N 2.94Å; E321-T324 PolarHBondContact O-OG1 3.03Å; T324-L343 WeakPolarHBondContact O-CB 3.44Å; T324-L343 PolarHBondContact O-N 2.79Å
325	S	88	Confident	79.4	Confident	12 Å²	12	75.9 Å²	75.9	8%	0.084	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	169.8	174.4	77.9	0	0	0	0	112.3	E321 V341	E321-S325 PolarHBondContact O-N 3.31Å; E321-S325 PolarHBondContact O-OG 2.88Å; S325-V341 CarbonylContact C-O 3.57Å; S325-V341 VanDerWaalsContact CA-O 3.26Å; S325-V341 WeakPolarHBondContact CA-O 3.27Å
326	R	82.4	Confident	77.8	Confident	35 Å²	35	77.9 Å²	77.9	13%	0.132	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.8	177.6	-172.3	176.1	-62.3	149.7	6.8	111.2	V341 L343 T351 D528	R326-V341 PolarHBondContact N-O 3.47Å; R326-V341 PolarHBondContact O-N 2.87Å; R326-L343 HydrophobicContact CB-CD2 4.08Å; R326-T351 PolarHBondContact NH2-OG1 2.81Å; R326-D528 WeakPolarHBondContact CG-OD2 3.07Å
327	K	78.5	Confident	76.6	Confident	89 Å²	89	80 Å²	80	39%	0.387	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.7	174.8	-73.6	-176.5	173.6	-176.5	0	111.1	D340 D528	K327-D340 WeakPolarHBondContact CE-OD1 3.42Å; K327-D340 WeakPolarHBondContact CE-OD2 3.39Å; K327-D340 WeakPolarHBondContact CG-OD1 3.49Å; K327-D340 IonicContact NZ-OD2 3.86Å; K327-D528 PolarHBondContact N-OD2 3.28Å
328	M	70.4	Confident	75.5	Confident	87 Å²	87	78.6 Å²	78.6	43%	0.429	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109	176	-64.2	-158.2	-176.7	0	0	110.7	S330 S338 I339 V341	M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 2.94Å; M328-S338 WeakPolarHBondContact O-CA 3.38Å; M328-I339 PolarHBondContact N-O 3.49Å; M328-I339 PolarHBondContact O-N 2.93Å; M328-V341 HydrophobicContact CB-CG2 4.33Å; M328-V341 HydrophobicContact CG-CG2 4.04Å; M328-V341 HydrophobicContact SD-CG2 4.15Å
329	D	68.4	Low	74.8	Confident	72 Å²	72	76.6 Å²	76.6	39%	0.385	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	85.3	167.7	-82.3	-3.7	0	0	0	109.5	E337 S338 K553	D329-E337 CarbonylContact C-O 3.48Å; D329-S338 WeakPolarHBondContact OD1-CB 3.31Å; D329-S338 PolarHBondContact OD1-OG 2.68Å; D329-K553 IonicContact OD2-NZ 3.49Å; D329-K553 PolarHBondContact OD2-NZ 2.84Å
330	S	60.8	Low	74	Confident	53 Å²	53	80.7 Å²	80.7	37%	0.371	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.8	173	-168.1	0	0	0	0	111.3	M328 K336 E337	M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 2.94Å; S330-K336 WeakPolarHBondContact O-CA 3.06Å; S330-E337 PolarHBondContact N-O 2.88Å; S330-E337 PolarHBondContact O-N 3.29Å
331	K	57.2	Low	73.4	Confident	154 Å²	154	80.6 Å²	80.6	67%	0.67	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.7	174	-77.3	-175.3	177.3	-178.8	0	109.9	K336	K331-K336 HydrophobicContact CG-CG 4.24Å
332	W	49	Very low	73.2	Confident	217 Å²	217	80.4 Å²	80.4	82%	0.822	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	103.7	170.1	-163.4	-97.5	0	0	0	108.9	T335	W332-T335 PolarHBondContact N-O 2.8Å; W332-T335 PolarHBondContact O-N 2.73Å
333	G	67.1	Low	73	Confident	70 Å²	70	79.6 Å²	79.6	72%	0.722	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-131.2	-170.5	0	0	0	0	0	112.5
334	N	61.7	Low	72.8	Confident	180 Å²	180	82.4 Å²	82.4	96%	0.963	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.6	177.4	-78.8	-18.8	0	0	0	113.6
335	T	51.4	Low	72.6	Confident	83 Å²	83	83.4 Å²	83.4	51%	0.509	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.2	-177.6	-38.8	0	0	0	0	110.4	W332 E337	W332-T335 PolarHBondContact N-O 2.8Å; W332-T335 PolarHBondContact O-N 2.73Å; T335-E337 HydrophobicContact CG2-CG 4.34Å
336	K	62	Low	72.4	Confident	124 Å²	124	87.8 Å²	87.8	54%	0.539	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.3	164.2	-75.6	-176.3	173.2	-167.2	0	108.7	S330 K331	S330-K336 WeakPolarHBondContact O-CA 3.06Å; K331-K336 HydrophobicContact CG-CG 4.24Å
337	E	70.9	Confident	72.4	Confident	110 Å²	110	89.6 Å²	89.6	51%	0.514	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131	171.2	-68.2	178.4	173.1	0	0	107.7	D329 S330 T335	D329-E337 CarbonylContact C-O 3.48Å; S330-E337 PolarHBondContact N-O 2.88Å; S330-E337 PolarHBondContact O-N 3.29Å; T335-E337 HydrophobicContact CG2-CG 4.34Å
338	S	71.3	Confident	72.9	Confident	70 Å²	70	85.4 Å²	85.4	49%	0.49	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.6	178.1	-147.1	0	0	0	0	108	M328 D329	M328-S338 WeakPolarHBondContact O-CA 3.38Å; D329-S338 WeakPolarHBondContact OD1-CB 3.31Å; D329-S338 PolarHBondContact OD1-OG 2.68Å
339	I	77.8	Confident	73.8	Confident	84 Å²	84	83 Å²	83	43%	0.431	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.5	-173.2	-56.3	175	0	0	0	108.6	M328 V341	M328-I339 PolarHBondContact N-O 3.49Å; M328-I339 PolarHBondContact O-N 2.93Å; I339-V341 HydrophobicContact CG2-CG2 4.2Å; I339-V341 PolarHBondContact O-N 3.15Å
340	D	76.5	Confident	74.4	Confident	86 Å²	86	83.9 Å²	83.9	46%	0.46	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.1	168.4	-79.8	-71.4	0	0	0	109.8	K327	K327-D340 WeakPolarHBondContact CE-OD1 3.42Å; K327-D340 WeakPolarHBondContact CE-OD2 3.39Å; K327-D340 WeakPolarHBondContact CG-OD1 3.49Å; K327-D340 IonicContact NZ-OD2 3.86Å
341	V	82.9	Confident	75.7	Confident	53 Å²	53	81.5 Å²	81.5	32%	0.321	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	-179	-179	0	0	0	0	109.2	S325 R326 M328 I339	S325-V341 CarbonylContact C-O 3.57Å; S325-V341 VanDerWaalsContact CA-O 3.26Å; S325-V341 WeakPolarHBondContact CA-O 3.27Å; R326-V341 PolarHBondContact N-O 3.47Å; R326-V341 PolarHBondContact O-N 2.87Å; M328-V341 HydrophobicContact CB-CG2 4.33Å; M328-V341 HydrophobicContact CG-CG2 4.04Å; M328-V341 HydrophobicContact SD-CG2 4.15Å; I339-V341 HydrophobicContact CG2-CG2 4.2Å; I339-V341 PolarHBondContact O-N 3.15Å
342	T	86.4	Confident	77.4	Confident	69 Å²	69	75.3 Å²	75.3	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.4	172.4	40.2	0	0	0	0	111.2	Y296	Y296-T342 WeakPolarHBondContact CD1-O 3.4Å; Y296-T342 WeakPolarHBondContact CD1-OG1 3.45Å; Y296-T342 WeakPolarHBondContact CE1-OG1 3.38Å
343	L	87.3	Confident	79.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-85.9	158	-176.1	-59.3	-179.5	0	0	0	111.2	Y296 A297 T324 R326 Q347	Y296-L343 CarbonylContact C-O 3.57Å; Y296-L343 WeakPolarHBondContact CA-O 3.42Å; A297-L343 PolarHBondContact N-O 3.38Å; T324-L343 WeakPolarHBondContact O-CB 3.44Å; T324-L343 PolarHBondContact O-N 2.79Å; R326-L343 HydrophobicContact CB-CD2 4.08Å; L343-Q347 HydrophobicContact CB-CB 3.87Å; L343-Q347 HydrophobicContact CD1-CB 4.44Å; L343-Q347 HydrophobicContact CD2-CB 4.22Å; L343-Q347 HydrophobicContact CG-CB 4.4Å
344	N	87.4	Confident	80.3	Confident	59 Å²	59	63.4 Å²	63.4	32%	0.316	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-83.5	170	165.4	78.9	4.1	0	0	0	111.4	E346 Q347 A348	N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.46Å; N344-E346 PolarHBondContact OD1-N 2.96Å; N344-Q347 VanDerWaalsContact N-OE1 3.13Å; N344-Q347 PolarHBondContact O-N 3.09Å; N344-Q347 VanDerWaalsContact OD1-CB 3.29Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.35Å; N344-Q347 WeakPolarHBondContact OD1-CG 3.21Å; N344-Q347 PolarHBondContact OD1-N 3.4Å; N344-A348 PolarHBondContact O-N 2.86Å
345	V	87.4	Confident	81.7	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.261	29%	0.289	S	S	.	.	H	α-helix	trans	-55.7	-41.9	-176.2	176.7	0	0	0	0	112.4	F290 E292 A297 A348 C349	F290-V345 HydrophobicContact CB-CG1 4.18Å; E292-V345 HydrophobicContact CB-CG2 3.89Å; A297-V345 HydrophobicContact CB-CG2 4.48Å; V345-A348 PolarHBondContact O-N 3.39Å; V345-C349 PolarHBondContact O-N 3.36Å
346	E	83.4	Confident	83.8	Confident	105 Å²	105	50.9 Å²	50.9	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-48.5	179	-150.8	-159.3	158.6	0	0	111.2	N344 A348 C349 Y350	N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.46Å; N344-E346 PolarHBondContact OD1-N 2.96Å; E346-A348 VanDerWaalsContact C-N 3.32Å; E346-A348 PolarHBondContact O-N 3.19Å; E346-C349 WeakPolarHBondContact O-CB 3.47Å; E346-C349 PolarHBondContact O-N 3.31Å; E346-Y350 HydrophobicContact CB-CE2 4.34Å; E346-Y350 HydrophobicContact CG-CD2 4.27Å; E346-Y350 HydrophobicContact CG-CE2 3.54Å; E346-Y350 WeakPolarHBondContact O-CD2 3.19Å; E346-Y350 PolarHBondContact O-N 2.89Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.46Å; E346-Y350 PolarHBondContact OE1-OH 2.95Å
347	Q	83.2	Confident	85.2	Confident	73 Å²	73	46.8 Å²	46.8	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-34.1	177.1	-71.1	164.9	4.6	0	0	112.8	L343 N344 T351	L343-Q347 HydrophobicContact CB-CB 3.87Å; L343-Q347 HydrophobicContact CD1-CB 4.44Å; L343-Q347 HydrophobicContact CD2-CB 4.22Å; L343-Q347 HydrophobicContact CG-CB 4.4Å; N344-Q347 VanDerWaalsContact N-OE1 3.13Å; N344-Q347 PolarHBondContact O-N 3.09Å; N344-Q347 VanDerWaalsContact OD1-CB 3.29Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.35Å; N344-Q347 WeakPolarHBondContact OD1-CG 3.21Å; N344-Q347 PolarHBondContact OD1-N 3.4Å; Q347-T351 WeakPolarHBondContact O-CB 3.36Å; Q347-T351 PolarHBondContact O-N 3.25Å; Q347-T351 PolarHBondContact O-OG1 3.4Å
348	A	88.4	Confident	86.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-45.6	174.2	0	0	0	0	0	111.5	F290 A297 L323 N344 V345 E346 Y350 T351 R352	F290-A348 HydrophobicContact CB-CB 4.43Å; F290-A348 HydrophobicContact CD1-CB 3.74Å; F290-A348 HydrophobicContact CD2-CB 3.86Å; F290-A348 HydrophobicContact CE1-CB 3.85Å; F290-A348 HydrophobicContact CE2-CB 3.97Å; F290-A348 HydrophobicContact CG-CB 3.75Å; F290-A348 HydrophobicContact CZ-CB 3.96Å; A297-A348 HydrophobicContact CB-CB 3.56Å; L323-A348 WeakPolarHBondContact O-CA 3.5Å; L323-A348 WeakPolarHBondContact O-CB 3.5Å; N344-A348 PolarHBondContact O-N 2.86Å; V345-A348 PolarHBondContact O-N 3.39Å; E346-A348 VanDerWaalsContact C-N 3.32Å; E346-A348 PolarHBondContact O-N 3.19Å; A348-Y350 PolarHBondContact O-N 3.34Å; A348-T351 PolarHBondContact O-N 3.4Å; A348-T351 VanDerWaalsContact O-N 3.09Å; A348-R352 PolarHBondContact O-N 3.04Å
349	C	88.9	Confident	87.3	Confident	37 Å²	37	38.8 Å²	38.8	25%	0.25	20%	0.204	C	C	.	.	H	α-helix	trans	-55.1	-47.5	170.4	-78.9	0	0	0	0	112.3	V345 E346 T351 R352 D353	V345-C349 PolarHBondContact O-N 3.36Å; E346-C349 WeakPolarHBondContact O-CB 3.47Å; E346-C349 PolarHBondContact O-N 3.31Å; C349-T351 VanDerWaalsContact C-N 3.3Å; C349-T351 PolarHBondContact O-N 3.47Å; C349-R352 PolarHBondContact O-N 3.13Å; C349-D353 WeakPolarHBondContact O-CB 3.17Å; C349-D353 PolarHBondContact O-N 3.18Å
350	Y	82.1	Confident	88.2	Confident	90 Å²	90	35 Å²	35	35%	0.353	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-33.6	175.6	-67.4	-54.7	0	0	0	112.9	E346 A348 D353 A354 E519	E346-Y350 HydrophobicContact CB-CE2 4.34Å; E346-Y350 HydrophobicContact CG-CD2 4.27Å; E346-Y350 HydrophobicContact CG-CE2 3.54Å; E346-Y350 WeakPolarHBondContact O-CD2 3.19Å; E346-Y350 PolarHBondContact O-N 2.89Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.46Å; E346-Y350 PolarHBondContact OE1-OH 2.95Å; A348-Y350 PolarHBondContact O-N 3.34Å; Y350-D353 PolarHBondContact O-N 3.49Å; Y350-A354 VanDerWaalsContact O-CB 3.24Å; Y350-A354 WeakPolarHBondContact O-CB 3.38Å; Y350-A354 PolarHBondContact O-N 3.34Å; Y350-E519 HydrophobicContact CE1-CG 4.29Å; Y350-E519 WeakPolarHBondContact CE1-OE2 3.47Å
351	T	87.3	Confident	88.9	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-71.7	-43.5	-179.9	-59.3	0	0	0	0	111	K322 L323 R326 Q347 A348 C349 A354 L355 L529	K322-T351 WeakPolarHBondContact O-CG2 3.12Å; L323-T351 HydrophobicContact CD2-CG2 4.3Å; R326-T351 PolarHBondContact NH2-OG1 2.81Å; Q347-T351 WeakPolarHBondContact O-CB 3.36Å; Q347-T351 PolarHBondContact O-N 3.25Å; Q347-T351 PolarHBondContact O-OG1 3.4Å; A348-T351 PolarHBondContact O-N 3.4Å; A348-T351 VanDerWaalsContact O-N 3.09Å; C349-T351 VanDerWaalsContact C-N 3.3Å; C349-T351 PolarHBondContact O-N 3.47Å; T351-A354 PolarHBondContact O-N 3.39Å; T351-L355 PolarHBondContact O-N 2.82Å; T351-L355 VanDerWaalsContact O-N 3.15Å; T351-L529 HydrophobicContact CG2-CD1 3.87Å; T351-L529 HydrophobicContact CG2-CD2 4.03Å; T351-L529 HydrophobicContact CG2-CG 4.21Å
352	R	92.7	Very high	89.3	Confident	24 Å²	24	32.3 Å²	32.3	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-50.3	167.9	178.5	-159.6	69.5	-162.8	-2.5	111.3	V285 I288 F290 L323 A348 C349 A354 L355 S356	V285-R352 HydrophobicContact CG1-CG 3.68Å; V285-R352 VanDerWaalsContact O-CD 3.28Å; V285-R352 WeakPolarHBondContact O-CD 3.4Å; V285-R352 WeakPolarHBondContact O-CG 3.4Å; I288-R352 VanDerWaalsContact O-CD 3.24Å; I288-R352 WeakPolarHBondContact O-CD 3.31Å; I288-R352 PolarHBondContact O-NH1 3.13Å; F290-R352 HydrophobicContact CE2-CB 4.04Å; F290-R352 HydrophobicContact CZ-CB 4.24Å; L323-R352 HydrophobicContact CD2-CB 4.01Å; A348-R352 PolarHBondContact O-N 3.04Å; C349-R352 PolarHBondContact O-N 3.13Å; R352-A354 PolarHBondContact O-N 3.15Å; R352-L355 WeakPolarHBondContact O-CB 3.37Å; R352-L355 PolarHBondContact O-N 3.23Å; R352-S356 PolarHBondContact O-N 2.98Å; R352-S356 VanDerWaalsContact O-N 3.08Å; R352-S356 PolarHBondContact O-OG 3.39Å; R352-S356 VanDerWaalsContact O-OG 3.05Å
353	D	90.4	Very high	89.8	Confident	19 Å²	19	29.1 Å²	29.1	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-32.4	-176.9	-76.2	11.4	0	0	0	112.9	V200 Y237 C349 Y350 S356 K357	V200-D353 HydrophobicContact CB-CB 4.32Å; V200-D353 HydrophobicContact CG1-CB 4.03Å; V200-D353 HydrophobicContact CG2-CB 4.12Å; Y237-D353 WeakPolarHBondContact CE1-OD1 3.39Å; Y237-D353 PolarHBondContact OH-OD1 2.6Å; C349-D353 WeakPolarHBondContact O-CB 3.17Å; C349-D353 PolarHBondContact O-N 3.18Å; Y350-D353 PolarHBondContact O-N 3.49Å; D353-S356 PolarHBondContact O-N 3.47Å; D353-K357 WeakPolarHBondContact O-CB 3.31Å; D353-K357 VanDerWaalsContact O-CD 3.29Å; D353-K357 WeakPolarHBondContact O-CD 3.32Å; D353-K357 WeakPolarHBondContact O-CG 3.43Å; D353-K357 PolarHBondContact O-N 2.82Å
354	A	86.6	Confident	90.2	Very high	19 Å²	19	29 Å²	29	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-41.7	172.9	0	0	0	0	0	112	Y350 T351 R352 K357 A358 L529	Y350-A354 VanDerWaalsContact O-CB 3.24Å; Y350-A354 WeakPolarHBondContact O-CB 3.38Å; Y350-A354 PolarHBondContact O-N 3.34Å; T351-A354 PolarHBondContact O-N 3.39Å; R352-A354 PolarHBondContact O-N 3.15Å; A354-K357 PolarHBondContact O-N 3.03Å; A354-A358 WeakPolarHBondContact O-CB 3.38Å; A354-A358 PolarHBondContact O-N 3Å; A354-L529 HydrophobicContact CB-CD1 4.39Å
355	L	92.1	Very high	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-47.5	174.1	-178.8	60.6	0	0	0	111.2	L319 T351 R352 K357 A358 L359 L529 L532 M533	L319-L355 HydrophobicContact CD1-CD2 4.39Å; T351-L355 PolarHBondContact O-N 2.82Å; T351-L355 VanDerWaalsContact O-N 3.15Å; R352-L355 WeakPolarHBondContact O-CB 3.37Å; R352-L355 PolarHBondContact O-N 3.23Å; L355-K357 PolarHBondContact O-N 3.45Å; L355-A358 PolarHBondContact O-N 2.96Å; L355-L359 HydrophobicContact CD1-CD1 4.21Å; L355-L359 HydrophobicContact CD1-CG 4.33Å; L355-L359 HydrophobicContact CG-CD1 4.08Å; L355-L359 WeakPolarHBondContact O-CG 3.22Å; L355-L359 PolarHBondContact O-N 2.96Å; L355-L529 HydrophobicContact CB-CD1 4.24Å; L355-L529 HydrophobicContact CB-CD2 4.43Å; L355-L529 HydrophobicContact CD2-CD2 4.47Å; L355-L532 HydrophobicContact CD2-CD2 4.49Å; L355-M533 HydrophobicContact CD1-CE 3.91Å; L355-M533 HydrophobicContact CD1-CG 3.92Å; L355-M533 HydrophobicContact CD1-SD 3.87Å; L355-M533 HydrophobicContact CD2-CE 4.25Å
356	S	95.2	Very high	90.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-46.6	176.9	-57.1	0	0	0	0	112.9	Y237 V285 R352 D353 A358 H360	Y237-S356 VanDerWaalsContact CE2-OG 3.28Å; Y237-S356 WeakPolarHBondContact CE2-OG 3.29Å; Y237-S356 WeakPolarHBondContact OH-CB 3.29Å; Y237-S356 PolarHBondContact OH-OG 3.5Å; V285-S356 VanDerWaalsContact CG1-OG 3.29Å; V285-S356 WeakPolarHBondContact CG1-OG 3.46Å; R352-S356 PolarHBondContact O-N 2.98Å; R352-S356 VanDerWaalsContact O-N 3.08Å; R352-S356 PolarHBondContact O-OG 3.39Å; R352-S356 VanDerWaalsContact O-OG 3.05Å; D353-S356 PolarHBondContact O-N 3.47Å; S356-A358 VanDerWaalsContact C-N 3.32Å; S356-A358 PolarHBondContact O-N 3.23Å; S356-H360 PolarHBondContact O-N 3.38Å
357	K	91.4	Very high	91.4	Very high	38 Å²	38	23.6 Å²	23.6	17%	0.165	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-39.8	174.8	-71.6	161.6	-165.8	169.5	0	111.8	K196 V200 D353 A354 L355 S361	K196-K357 HydrophobicContact CB-CB 4.17Å; K196-K357 HydrophobicContact CB-CG 4.28Å; K196-K357 HydrophobicContact CD-CB 4.5Å; V200-K357 HydrophobicContact CG1-CG 4.32Å; D353-K357 WeakPolarHBondContact O-CB 3.31Å; D353-K357 VanDerWaalsContact O-CD 3.29Å; D353-K357 WeakPolarHBondContact O-CD 3.32Å; D353-K357 WeakPolarHBondContact O-CG 3.43Å; D353-K357 PolarHBondContact O-N 2.82Å; A354-K357 PolarHBondContact O-N 3.03Å; L355-K357 PolarHBondContact O-N 3.45Å; K357-S361 WeakPolarHBondContact O-CB 3.32Å; K357-S361 PolarHBondContact O-N 3.42Å
358	A	90.2	Very high	91.9	Very high	12 Å²	12	20.3 Å²	20.3	10%	0.099	10%	0.1	C	C	.	.	H	α-helix	trans	-71.9	-46.2	-178.4	0	0	0	0	0	112.6	A354 L355 S356 S361 R362 L525 F545	A354-A358 WeakPolarHBondContact O-CB 3.38Å; A354-A358 PolarHBondContact O-N 3Å; L355-A358 PolarHBondContact O-N 2.96Å; S356-A358 VanDerWaalsContact C-N 3.32Å; S356-A358 PolarHBondContact O-N 3.23Å; A358-S361 PolarHBondContact O-N 2.82Å; A358-R362 WeakPolarHBondContact O-CG 3.2Å; A358-R362 PolarHBondContact O-N 3.06Å; A358-L525 HydrophobicContact CB-CD1 3.82Å; A358-L525 HydrophobicContact CB-CD2 3.92Å; A358-L525 HydrophobicContact CB-CG 4.4Å; A358-F545 HydrophobicContact CB-CE1 4.48Å
359	L	95.4	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.9	-51.3	177.5	-77	167.7	0	0	0	111.6	I278 V282 L312 L355 S361 R362 V363 M533 F545	I278-L359 HydrophobicContact CG2-CB 4.04Å; I278-L359 HydrophobicContact CG2-CD2 4.06Å; V282-L359 HydrophobicContact CG2-CB 3.61Å; V282-L359 HydrophobicContact CG2-CD1 4.05Å; V282-L359 HydrophobicContact CG2-CG 4.49Å; L312-L359 HydrophobicContact CD1-CD1 3.97Å; L312-L359 HydrophobicContact CD2-CD1 4.02Å; L312-L359 HydrophobicContact CD2-CD2 4.3Å; L355-L359 HydrophobicContact CD1-CD1 4.21Å; L355-L359 HydrophobicContact CD1-CG 4.33Å; L355-L359 HydrophobicContact CG-CD1 4.08Å; L355-L359 WeakPolarHBondContact O-CG 3.22Å; L355-L359 PolarHBondContact O-N 2.96Å; L359-S361 PolarHBondContact O-N 2.96Å; L359-R362 PolarHBondContact O-N 2.96Å; L359-V363 WeakPolarHBondContact O-CG2 3.31Å; L359-V363 PolarHBondContact O-N 3.41Å; L359-M533 HydrophobicContact CD2-SD 3.92Å; L359-F545 HydrophobicContact CD2-CE2 3.96Å; L359-F545 HydrophobicContact CD2-CZ 4.07Å
360	H	95.9	Very high	92.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-41.5	177.7	-171	84.3	0	0	0	112.4	F156 V199 F209 F212 S356 V363 F364	F156-H360 PolarHBondContact O-NE2 2.64Å; V199-H360 HydrophobicContact CG2-CB 3.72Å; F209-H360 AromaticContact CD2-CD2 3.91Å; F209-H360 AromaticContact CD2-CE1 3.86Å; F209-H360 AromaticContact CD2-NE2 3.37Å; F209-H360 WeakPolarHBondContact CD2-NE2 3.32Å; F209-H360 AromaticContact CE2-CD2 3.92Å; F209-H360 AromaticContact CE2-NE2 3.73Å; F209-H360 AromaticContact CG-NE2 3.72Å; F212-H360 AromaticContact CZ-ND1 3.57Å; S356-H360 PolarHBondContact O-N 3.38Å; H360-V363 PolarHBondContact O-N 3.02Å; H360-F364 WeakPolarHBondContact O-CB 3.39Å; H360-F364 PolarHBondContact O-N 3.41Å
361	S	91.8	Very high	92.9	Very high	14 Å²	14	19.4 Å²	19.4	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-62.7	-45.4	177.2	-167.2	0	0	0	0	111.9	K357 A358 L359 F364 D365	K357-S361 WeakPolarHBondContact O-CB 3.32Å; K357-S361 PolarHBondContact O-N 3.42Å; A358-S361 PolarHBondContact O-N 2.82Å; L359-S361 PolarHBondContact O-N 2.96Å; S361-F364 WeakPolarHBondContact O-CB 3.37Å; S361-F364 PolarHBondContact O-N 3.2Å; S361-D365 VanDerWaalsContact O-CG 3.28Å; S361-D365 PolarHBondContact O-N 3.36Å; S361-D365 VanDerWaalsContact O-OD2 3.1Å
362	R	92.6	Very high	93.1	Very high	69 Å²	69	21 Å²	21	26%	0.26	11%	0.105	S	C	.	.	H	α-helix	trans	-68.6	-36.9	-179.8	-68.9	-67.7	170.8	94.5	1.5	112.5	A358 L359 D365 Y366 L544 F545 E547	A358-R362 WeakPolarHBondContact O-CG 3.2Å; A358-R362 PolarHBondContact O-N 3.06Å; L359-R362 PolarHBondContact O-N 2.96Å; R362-D365 PolarHBondContact O-N 2.86Å; R362-Y366 WeakPolarHBondContact O-CB 3.17Å; R362-Y366 PolarHBondContact O-N 3.26Å; R362-L544 HydrophobicContact CB-CB 4.05Å; R362-L544 HydrophobicContact CB-CD1 4.35Å; R362-L544 HydrophobicContact CB-CD2 4.33Å; R362-L544 HydrophobicContact CB-CG 4.48Å; R362-L544 VanDerWaalsContact CD-O 3.3Å; R362-L544 WeakPolarHBondContact CD-O 3.23Å; R362-L544 PolarHBondContact NH1-O 2.98Å; R362-F545 HydrophobicContact CG-CE1 4.32Å; R362-F545 HydrophobicContact CG-CZ 4.37Å; R362-E547 IonicContact CZ-OE1 3.55Å; R362-E547 IonicContact CZ-OE2 3.57Å; R362-E547 IonicContact NH1-OE1 2.74Å; R362-E547 PolarHBondContact NH1-OE1 3.3Å; R362-E547 IonicContact NH1-OE2 3.5Å; R362-E547 PolarHBondContact NH1-OE2 3.18Å; R362-E547 IonicContact NH2-OE1 2.74Å; R362-E547 PolarHBondContact NH2-OE1 2.9Å; R362-E547 IonicContact NH2-OE2 2.84Å
363	V	96.6	Very high	93.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-46.5	170.1	169.1	0	0	0	0	110.6	F156 V275 I278 L359 H360 D365 Y366 L367 L544	F156-V363 HydrophobicContact CD1-CG1 4.08Å; F156-V363 HydrophobicContact CE1-CG1 3.64Å; V275-V363 HydrophobicContact CG1-CG1 3.88Å; V275-V363 HydrophobicContact CG2-CG1 4.37Å; I278-V363 HydrophobicContact CB-CG2 4.03Å; I278-V363 HydrophobicContact CD1-CG2 3.9Å; I278-V363 HydrophobicContact CG2-CG2 3.64Å; L359-V363 WeakPolarHBondContact O-CG2 3.31Å; L359-V363 PolarHBondContact O-N 3.41Å; H360-V363 PolarHBondContact O-N 3.02Å; V363-D365 PolarHBondContact O-N 3.37Å; V363-Y366 PolarHBondContact O-N 2.6Å; V363-L367 HydrophobicContact CG1-CD1 4.21Å; V363-L367 HydrophobicContact CG1-CG 4.5Å; V363-L367 VanDerWaalsContact O-CG 3.31Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 3.33Å; V363-L544 HydrophobicContact CG2-CD1 4.01Å
364	F	95.3	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-44	177.3	-174.2	-110.7	0	0	0	112.7	L153 F156 F170 N191 L194 H360 S361 L367 V368	L153-F364 HydrophobicContact CD2-CD2 4.43Å; L153-F364 HydrophobicContact CD2-CE2 3.79Å; L153-F364 HydrophobicContact CD2-CZ 4.24Å; F156-F364 HydrophobicContact CB-CD2 3.74Å; F156-F364 HydrophobicContact CB-CE2 4.25Å; F170-F364 HydrophobicContact CB-CE1 4.47Å; F170-F364 HydrophobicContact CB-CZ 4.43Å; F170-F364 HydrophobicContact CD1-CZ 4.02Å; F170-F364 HydrophobicContact CD2-CE1 4.15Å; F170-F364 AromaticContact CD2-CZ 3.64Å; F170-F364 HydrophobicContact CD2-CZ 3.64Å; F170-F364 HydrophobicContact CE1-CZ 4.15Å; F170-F364 AromaticContact CE2-CZ 3.75Å; F170-F364 HydrophobicContact CE2-CZ 3.75Å; F170-F364 HydrophobicContact CG-CE1 4.27Å; F170-F364 AromaticContact CG-CZ 3.78Å; F170-F364 HydrophobicContact CG-CZ 3.78Å; F170-F364 HydrophobicContact CZ-CZ 4.03Å; N191-F364 HydrophobicContact CB-CE1 4.02Å; L194-F364 HydrophobicContact CB-CD1 4.45Å; L194-F364 HydrophobicContact CB-CE1 4.43Å; L194-F364 HydrophobicContact CD1-CD1 4.26Å; L194-F364 HydrophobicContact CD1-CE1 4.11Å; L194-F364 HydrophobicContact CD1-CZ 4.35Å; L194-F364 HydrophobicContact CD2-CB 4.08Å; L194-F364 HydrophobicContact CD2-CD1 3.76Å; L194-F364 HydrophobicContact CD2-CE1 4.39Å; L194-F364 HydrophobicContact CD2-CG 4.02Å; L194-F364 HydrophobicContact CG-CD1 4.38Å; H360-F364 WeakPolarHBondContact O-CB 3.39Å; H360-F364 PolarHBondContact O-N 3.41Å; S361-F364 WeakPolarHBondContact O-CB 3.37Å; S361-F364 PolarHBondContact O-N 3.2Å; F364-L367 PolarHBondContact O-N 2.94Å; F364-V368 HydrophobicContact CE1-CG2 4.4Å; F364-V368 HydrophobicContact CZ-CG2 4.48Å; F364-V368 WeakPolarHBondContact O-CG2 3.17Å; F364-V368 PolarHBondContact O-N 2.82Å
365	D	92.2	Very high	93	Very high	63 Å²	63	25.1 Å²	25.1	34%	0.337	12%	0.121	S	C	.	.	H	α-helix	trans	-64.6	-39.2	176.8	-66.9	-38.6	0	0	0	111.7	N191 S361 R362 V363 V368 E369	N191-D365 PolarHBondContact ND2-OD1 3.24Å; S361-D365 VanDerWaalsContact O-CG 3.28Å; S361-D365 PolarHBondContact O-N 3.36Å; S361-D365 VanDerWaalsContact O-OD2 3.1Å; R362-D365 PolarHBondContact O-N 2.86Å; V363-D365 PolarHBondContact O-N 3.37Å; D365-V368 PolarHBondContact O-N 2.92Å; D365-E369 PolarHBondContact O-N 3.15Å
366	Y	95.3	Very high	92.6	Very high	29 Å²	29	29.5 Å²	29.5	11%	0.114	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-39	172.2	165.3	-85.5	0	0	0	113	I267 D271 V275 R362 V363 E369 S370 F540 L544	I267-Y366 HydrophobicContact CG2-CE1 4.46Å; D271-Y366 WeakPolarHBondContact CB-OH 3.43Å; D271-Y366 VanDerWaalsContact CG-OH 3.29Å; V275-Y366 HydrophobicContact CG2-CD1 4.26Å; V275-Y366 HydrophobicContact CG2-CE1 4.12Å; R362-Y366 WeakPolarHBondContact O-CB 3.17Å; R362-Y366 PolarHBondContact O-N 3.26Å; V363-Y366 PolarHBondContact O-N 2.6Å; Y366-E369 PolarHBondContact O-N 3.02Å; Y366-S370 WeakPolarHBondContact O-CB 3.31Å; Y366-S370 PolarHBondContact O-N 2.8Å; Y366-S370 PolarHBondContact O-OG 3.33Å; Y366-F540 AromaticContact CD1-CZ 3.96Å; Y366-F540 HydrophobicContact CD1-CZ 3.96Å; Y366-F540 HydrophobicContact CD2-CE2 4.32Å; Y366-F540 HydrophobicContact CD2-CZ 4.15Å; Y366-F540 HydrophobicContact CE1-CE2 4.04Å; Y366-F540 AromaticContact CE1-CZ 3.77Å; Y366-F540 HydrophobicContact CE1-CZ 3.77Å; Y366-F540 AromaticContact CE2-CE2 3.7Å; Y366-F540 HydrophobicContact CE2-CE2 3.7Å; Y366-F540 AromaticContact CE2-CZ 3.93Å; Y366-F540 HydrophobicContact CE2-CZ 3.93Å; Y366-F540 HydrophobicContact CG-CZ 4.18Å; Y366-F540 AromaticContact CZ-CE2 3.56Å; Y366-F540 AromaticContact CZ-CZ 3.76Å; Y366-L544 HydrophobicContact CD2-CD2 4.44Å; Y366-L544 HydrophobicContact CG-CD2 4.31Å
367	L	95.6	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-41.7	177.2	-66.3	172.7	0	0	0	110.6	L152 F156 M262 I267 V275 V363 F364 S370 I371	L152-L367 HydrophobicContact CD1-CD1 4.05Å; L152-L367 HydrophobicContact CD1-CD2 4.33Å; L152-L367 HydrophobicContact CD2-CB 4.43Å; L152-L367 HydrophobicContact CD2-CD2 4.22Å; L152-L367 HydrophobicContact CG-CD1 4.45Å; F156-L367 HydrophobicContact CB-CD1 4.39Å; F156-L367 HydrophobicContact CD1-CD1 3.72Å; F156-L367 HydrophobicContact CD2-CD1 3.64Å; F156-L367 HydrophobicContact CE1-CD1 3.78Å; F156-L367 HydrophobicContact CE2-CD1 3.7Å; F156-L367 HydrophobicContact CG-CD1 3.65Å; F156-L367 HydrophobicContact CZ-CD1 3.77Å; M262-L367 HydrophobicContact CE-CD2 4.42Å; I267-L367 HydrophobicContact CD1-CD2 3.65Å; V275-L367 HydrophobicContact CG1-CD2 4.47Å; V275-L367 HydrophobicContact CG2-CD2 4.32Å; V363-L367 HydrophobicContact CG1-CD1 4.21Å; V363-L367 HydrophobicContact CG1-CG 4.5Å; V363-L367 VanDerWaalsContact O-CG 3.31Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 3.33Å; F364-L367 PolarHBondContact O-N 2.94Å; L367-S370 PolarHBondContact O-N 2.96Å; L367-I371 WeakPolarHBondContact O-CD1 3.17Å; L367-I371 WeakPolarHBondContact O-CG1 3.48Å; L367-I371 PolarHBondContact O-N 2.91Å
368	V	93	Very high	90.9	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-41.4	173.5	173.8	0	0	0	0	111.3	L153 I189 N191 F364 D365 S370 N372	L153-V368 HydrophobicContact CD2-CG2 3.58Å; I189-V368 HydrophobicContact CG2-CG1 4.45Å; N191-V368 HydrophobicContact CB-CG1 4.27Å; N191-V368 HydrophobicContact CB-CG2 3.97Å; F364-V368 HydrophobicContact CE1-CG2 4.4Å; F364-V368 HydrophobicContact CZ-CG2 4.48Å; F364-V368 WeakPolarHBondContact O-CG2 3.17Å; F364-V368 PolarHBondContact O-N 2.82Å; D365-V368 PolarHBondContact O-N 2.92Å; V368-S370 VanDerWaalsContact C-N 3.35Å; V368-N372 PolarHBondContact O-N 3.24Å; V368-N372 PolarHBondContact O-ND2 3.02Å
369	E	92.9	Very high	90	Very high	98 Å²	98	42.6 Å²	42.6	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-63.7	-40.5	174.5	-155.3	-148.8	145	0	0	111.4	D365 Y366 N372 R373	D365-E369 PolarHBondContact O-N 3.15Å; Y366-E369 PolarHBondContact O-N 3.02Å; E369-N372 CarbonylContact O-C 3.6Å; E369-N372 WeakPolarHBondContact O-CB 3.35Å; E369-N372 PolarHBondContact O-N 3.37Å; E369-N372 VanDerWaalsContact O-N 3.15Å; E369-R373 WeakPolarHBondContact O-CG 3.5Å; E369-R373 PolarHBondContact O-N 2.96Å; E369-R373 IonicContact OE1-CZ 2.64Å; E369-R373 IonicContact OE1-NE 3.68Å; E369-R373 IonicContact OE1-NH1 2.73Å; E369-R373 PolarHBondContact OE1-NH1 2.88Å; E369-R373 IonicContact OE2-CZ 3.35Å; E369-R373 IonicContact OE2-NH1 3.7Å; E369-R373 PolarHBondContact OE2-NH1 2.94Å
370	S	94.3	Very high	88.8	Confident	10 Å²	10	48 Å²	48	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-41.9	178.8	-59.2	0	0	0	0	112.5	Y366 L367 V368 N372 R373 A374	Y366-S370 WeakPolarHBondContact O-CB 3.31Å; Y366-S370 PolarHBondContact O-N 2.8Å; Y366-S370 PolarHBondContact O-OG 3.33Å; L367-S370 PolarHBondContact O-N 2.96Å; V368-S370 VanDerWaalsContact C-N 3.35Å; S370-N372 VanDerWaalsContact C-N 3.31Å; S370-N372 PolarHBondContact O-N 2.64Å; S370-R373 PolarHBondContact O-N 3.35Å; S370-R373 PolarHBondContact OG-NH2 2.89Å; S370-A374 PolarHBondContact O-N 3.47Å; S370-A374 VanDerWaalsContact O-N 3.09Å
371	I	93.2	Very high	87.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-42	171	-65.4	156.7	0	0	0	111	I145 L152 L153 I189 I265 L367 A374 M375	I145-I371 HydrophobicContact CG2-CG2 4.12Å; L152-I371 HydrophobicContact CD2-CD1 4.22Å; L152-I371 HydrophobicContact CD2-CG1 4.49Å; L153-I371 HydrophobicContact CD1-CD1 3.89Å; L153-I371 HydrophobicContact CD2-CD1 3.87Å; L153-I371 HydrophobicContact CG-CD1 3.79Å; I189-I371 HydrophobicContact CD1-CG2 3.52Å; I189-I371 HydrophobicContact CG1-CG2 4.23Å; I265-I371 HydrophobicContact CD1-CD1 4.35Å; I265-I371 HydrophobicContact CD1-CG1 3.77Å; I265-I371 HydrophobicContact CG1-CG1 4.28Å; I265-I371 HydrophobicContact CG2-CG1 3.93Å; L367-I371 WeakPolarHBondContact O-CD1 3.17Å; L367-I371 WeakPolarHBondContact O-CG1 3.48Å; L367-I371 PolarHBondContact O-N 2.91Å; I371-A374 PolarHBondContact O-N 3.26Å; I371-M375 HydrophobicContact CG2-CE 3.68Å; I371-M375 PolarHBondContact O-N 3.44Å
372	N	92.2	Very high	87.7	Confident	36 Å²	36	52.9 Å²	52.9	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176	-80	-58.6	0	0	0	112.1	K188 I189 V368 E369 S370 A374 M375 V376	K188-N372 VanDerWaalsContact CA-OD1 3.25Å; K188-N372 WeakPolarHBondContact CA-OD1 3.46Å; I189-N372 PolarHBondContact N-OD1 3.4Å; I189-N372 PolarHBondContact O-ND2 3.37Å; I189-N372 PolarHBondContact O-OD1 2.67Å; V368-N372 PolarHBondContact O-N 3.24Å; V368-N372 PolarHBondContact O-ND2 3.02Å; E369-N372 CarbonylContact O-C 3.6Å; E369-N372 WeakPolarHBondContact O-CB 3.35Å; E369-N372 PolarHBondContact O-N 3.37Å; E369-N372 VanDerWaalsContact O-N 3.15Å; S370-N372 VanDerWaalsContact C-N 3.31Å; S370-N372 PolarHBondContact O-N 2.64Å; N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 2.91Å; N372-M375 PolarHBondContact O-N 3.42Å; N372-V376 WeakPolarHBondContact O-CG2 3.44Å; N372-V376 PolarHBondContact O-N 3.09Å
373	R	91.8	Very high	87.7	Confident	116 Å²	116	50.1 Å²	50.1	44%	0.438	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-36.9	176.9	-73.9	-174.8	-65.4	-133	4.5	112.1	E369 S370 M375 V376	E369-R373 WeakPolarHBondContact O-CG 3.5Å; E369-R373 PolarHBondContact O-N 2.96Å; E369-R373 IonicContact OE1-CZ 2.64Å; E369-R373 IonicContact OE1-NE 3.68Å; E369-R373 IonicContact OE1-NH1 2.73Å; E369-R373 PolarHBondContact OE1-NH1 2.88Å; E369-R373 IonicContact OE2-CZ 3.35Å; E369-R373 IonicContact OE2-NH1 3.7Å; E369-R373 PolarHBondContact OE2-NH1 2.94Å; S370-R373 PolarHBondContact O-N 3.35Å; S370-R373 PolarHBondContact OG-NH2 2.89Å; R373-M375 VanDerWaalsContact C-N 3.27Å; R373-M375 PolarHBondContact O-N 2.89Å; R373-V376 WeakPolarHBondContact O-CG2 3.06Å
374	A	89.3	Confident	87.5	Confident	29 Å²	29	50.1 Å²	50.1	24%	0.24	25%	0.248	C	C	.	.	H	α-helix	trans	-70.2	-16.3	176.4	0	0	0	0	0	114.4	I145 I265 S370 I371 N372	I145-A374 HydrophobicContact CD1-CB 3.73Å; I145-A374 WeakPolarHBondContact CD1-O 3.43Å; I145-A374 HydrophobicContact CG1-CB 4.39Å; I145-A374 HydrophobicContact CG2-CB 4.31Å; I265-A374 WeakPolarHBondContact O-CB 3.47Å; S370-A374 PolarHBondContact O-N 3.47Å; S370-A374 VanDerWaalsContact O-N 3.09Å; I371-A374 PolarHBondContact O-N 3.26Å; N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 2.91Å
375	M	87.7	Confident	87.4	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.02	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	14.2	-175.9	-60.5	-171.6	-61.3	0	0	114.4	I145 I146 G186 G187 I189 I371 N372 R373	I145-M375 HydrophobicContact CB-CG 4.14Å; I145-M375 HydrophobicContact CB-SD 4.28Å; I145-M375 HydrophobicContact CD1-CG 4.15Å; I145-M375 HydrophobicContact CG2-CG 3.62Å; I145-M375 HydrophobicContact CG2-SD 3.73Å; I146-M375 HydrophobicContact CD1-SD 4.23Å; I146-M375 HydrophobicContact CG1-SD 3.48Å; I146-M375 WeakPolarHBondContact CG1-SD 3.41Å; G186-M375 WeakPolarHBondContact CA-O 3.3Å; G187-M375 PolarHBondContact N-O 3.37Å; I189-M375 HydrophobicContact CD1-CE 4.44Å; I189-M375 HydrophobicContact CG1-CE 4.06Å; I371-M375 HydrophobicContact CG2-CE 3.68Å; I371-M375 PolarHBondContact O-N 3.44Å; N372-M375 PolarHBondContact O-N 3.42Å; R373-M375 VanDerWaalsContact C-N 3.27Å; R373-M375 PolarHBondContact O-N 2.89Å
376	V	82.8	Confident	87.3	Confident	92 Å²	92	47.1 Å²	47.1	56%	0.558	23%	0.232	S	C	*	.			trans	-59.1	139.4	-175	173.7	0	0	0	0	112.6	R138 N372 R373	R138-V376 PolarHBondContact NH2-O 3.26Å; N372-V376 WeakPolarHBondContact O-CG2 3.44Å; N372-V376 PolarHBondContact O-N 3.09Å; R373-V376 WeakPolarHBondContact O-CG2 3.06Å
377	K	79.1	Confident	87.1	Confident	36 Å²	36	45.7 Å²	45.7	16%	0.157	23%	0.227	C	C	.	.			trans	-137	136.4	170.7	-177.6	-176.5	-179.5	178.8	0	108.7	F178 D185 H379	F178-K377 VanDerWaalsContact C-NZ 3.3Å; F178-K377 PolarHBondContact O-NZ 3.23Å; D185-K377 WeakPolarHBondContact OD1-CD 3.47Å; D185-K377 WeakPolarHBondContact OD1-CE 3.39Å; D185-K377 IonicContact OD1-NZ 2.7Å; D185-K377 PolarHBondContact OD1-NZ 2.81Å; D185-K377 WeakPolarHBondContact OD2-CE 3.46Å; D185-K377 IonicContact OD2-NZ 3.1Å; D185-K377 PolarHBondContact OD2-NZ 2.63Å; K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 VanDerWaalsContact CD-O 3.31Å; K377-H379 WeakPolarHBondContact CD-O 3.39Å; K377-H379 WeakPolarHBondContact CE-O 3.48Å; K377-H379 PolarHBondContact O-N 2.95Å
378	D	71.7	Confident	86.6	Confident	140 Å²	140	45.9 Å²	45.9	75%	0.749	23%	0.227	S	C	*	.	S	Bend	trans	-70.2	-26.8	-171.9	-46.1	-79.4	0	0	0	113.6
379	H	71.8	Confident	85.9	Confident	148 Å²	148	45.8 Å²	45.8	69%	0.685	23%	0.227	S	C	*	.			trans	-138.5	125.8	-174.7	-66.2	78.6	0	0	0	110.9	K377	K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 VanDerWaalsContact CD-O 3.31Å; K377-H379 WeakPolarHBondContact CD-O 3.39Å; K377-H379 WeakPolarHBondContact CE-O 3.48Å; K377-H379 PolarHBondContact O-N 2.95Å
380	Q	70.4	Confident	85.1	Confident	115 Å²	115	41.6 Å²	41.6	54%	0.537	21%	0.207	S	C	.	.			trans	-89.6	124	171.1	-68.3	-173.3	-29.6	0	0	110.2	Q177	Q177-Q380 VanDerWaalsContact NE2-NE2 3.12Å
381	E	75.9	Confident	84	Confident	105 Å²	105	41.3 Å²	41.3	49%	0.491	21%	0.206	S	C	.	.			trans	-105.9	-54.7	171.8	-65.1	-168.7	115.9	0	0	111.4	S180	S180-E381 WeakPolarHBondContact CB-OE2 3.42Å; S180-E381 PolarHBondContact N-OE2 3Å; S180-E381 PolarHBondContact OG-OE1 3.33Å; S180-E381 PolarHBondContact OG-OE2 3.38Å
382	L	88.7	Confident	83.3	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.7	-176.9	-65.3	170.3	0	0	0	109.7	M99 R103 N105 F178	M99-L382 HydrophobicContact CG-CB 3.97Å; M99-L382 HydrophobicContact CG-CD1 4.19Å; M99-L382 HydrophobicContact CG-CD2 4.27Å; M99-L382 HydrophobicContact CG-CG 4.37Å; M99-L382 HydrophobicContact SD-CB 3.94Å; R103-L382 HydrophobicContact CB-CD2 4.32Å; N105-L382 WeakPolarHBondContact OD1-CA 3.5Å; F178-L382 HydrophobicContact CB-CB 4.38Å; F178-L382 PolarHBondContact N-O 3.38Å
383	N	91.2	Very high	82.5	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.064	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157	172.6	73.3	6.6	0	0	0	114.4	N105 Q106 E175 I176	N105-N383 WeakPolarHBondContact CB-OD1 3.37Å; N105-N383 PolarHBondContact OD1-N 3.24Å; N105-N383 PolarHBondContact OD1-OD1 2.85Å; Q106-N383 PolarHBondContact N-O 3.25Å; Q106-N383 VanDerWaalsContact N-O 3.08Å; E175-N383 PolarHBondContact OE1-ND2 2.96Å; I176-N383 CarbonylContact O-C 3.55Å; I176-N383 WeakPolarHBondContact O-CA 3.34Å; I176-N383 WeakPolarHBondContact O-CB 3.38Å
384	I	93.1	Very high	81.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.1	164.4	-62.8	175	0	0	0	108.3	M95 Y96 M99 Q106 I129 I176 F178	M95-I384 HydrophobicContact CE-CG2 3.57Å; Y96-I384 HydrophobicContact CD2-CD1 4.3Å; M99-I384 HydrophobicContact CE-CD1 4.29Å; M99-I384 HydrophobicContact SD-CD1 3.93Å; M99-I384 HydrophobicContact SD-CG1 3.62Å; Q106-I384 HydrophobicContact CB-CG1 4.4Å; Q106-I384 CarbonylContact O-C 3.51Å; Q106-I384 WeakPolarHBondContact O-CA 3.38Å; I129-I384 HydrophobicContact CD1-CD1 3.92Å; I129-I384 HydrophobicContact CD1-CG2 3.86Å; I176-I384 PolarHBondContact N-O 3.4Å; I176-I384 PolarHBondContact O-N 3.34Å; F178-I384 HydrophobicContact CD2-CG1 4.42Å; F178-I384 HydrophobicContact CE2-CB 3.84Å; F178-I384 HydrophobicContact CE2-CD1 3.74Å; F178-I384 HydrophobicContact CE2-CG1 3.61Å; F178-I384 HydrophobicContact CZ-CB 4.44Å; F178-I384 HydrophobicContact CZ-CD1 3.77Å; F178-I384 HydrophobicContact CZ-CG1 4.17Å
385	G	92.4	Very high	81.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.6	172.3	0	0	0	0	0	112.9	Q106 C107 V108 F174	Q106-G385 PolarHBondContact O-N 2.67Å; C107-G385 CarbonylContact C-O 3.6Å; C107-G385 VanDerWaalsContact CA-O 3.26Å; C107-G385 WeakPolarHBondContact CA-O 3.3Å; V108-G385 PolarHBondContact N-O 2.64Å; F174-G385 CarbonylContact O-C 3.58Å; F174-G385 VanDerWaalsContact O-CA 3.25Å; F174-G385 WeakPolarHBondContact O-CA 3.47Å
386	V	92.1	Very high	80.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	109.9	170.8	-173	0	0	0	0	108	V108 I110 A122 I125 Y173 F174	V108-V386 HydrophobicContact CG1-CB 4.16Å; V108-V386 HydrophobicContact CG1-CG1 3.94Å; V108-V386 HydrophobicContact CG1-CG2 4.01Å; I110-V386 HydrophobicContact CD1-CG1 3.99Å; A122-V386 HydrophobicContact CB-CG1 3.93Å; I125-V386 HydrophobicContact CG2-CG2 4.35Å; Y173-V386 WeakPolarHBondContact CA-O 3.12Å; F174-V386 HydrophobicContact CB-CB 4.38Å; F174-V386 PolarHBondContact N-O 3Å; F174-V386 PolarHBondContact O-N 2.98Å
387	L	90.1	Very high	80.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.5	175.9	-176.4	63.8	0	0	0	110.2	V108 I109 I110 Y173 I389 L412 L571 L575	V108-L387 PolarHBondContact O-N 2.84Å; I109-L387 HydrophobicContact CG1-CB 4.49Å; I109-L387 HydrophobicContact CG1-CD2 4.28Å; I109-L387 HydrophobicContact CG2-CD2 4.38Å; I110-L387 WeakPolarHBondContact CB-O 3.34Å; I110-L387 PolarHBondContact N-O 3.07Å; Y173-L387 HydrophobicContact CD2-CB 3.85Å; Y173-L387 HydrophobicContact CD2-CD1 4.15Å; Y173-L387 HydrophobicContact CE2-CB 4.37Å; L387-I389 HydrophobicContact CD1-CB 4.38Å; L387-I389 HydrophobicContact CD2-CG2 4.5Å; L387-I389 HydrophobicContact CG-CB 4.32Å; L387-I389 HydrophobicContact CG-CG2 4.4Å; L387-L412 HydrophobicContact CD2-CD1 4Å; L387-L412 HydrophobicContact CD2-CD2 3.9Å; L387-L571 HydrophobicContact CD1-CD1 4.26Å; L387-L571 HydrophobicContact CD1-CD2 4.31Å; L387-L571 HydrophobicContact CD2-CD2 4.34Å; L387-L575 HydrophobicContact CD2-CD1 4.11Å
388	D	86	Confident	80.7	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	101	167	-178.3	26.7	0	0	0	107.7	K118 T119 A122 K172	K118-D388 WeakPolarHBondContact CB-OD1 3.45Å; T119-D388 VanDerWaalsContact CA-OD2 3.29Å; T119-D388 WeakPolarHBondContact CA-OD2 3.41Å; T119-D388 VanDerWaalsContact CB-OD2 3.24Å; T119-D388 WeakPolarHBondContact CB-OD2 3.45Å; T119-D388 WeakPolarHBondContact CG2-OD2 3.38Å; T119-D388 PolarHBondContact OG1-OD2 3.46Å; A122-D388 HydrophobicContact CB-CB 4.47Å; K172-D388 WeakPolarHBondContact CE-OD2 3.48Å; K172-D388 HydrophobicContact CG-CB 3.99Å; K172-D388 WeakPolarHBondContact CG-O 3.38Å; K172-D388 PolarHBondContact N-O 3.06Å; K172-D388 IonicContact NZ-OD2 2.76Å; K172-D388 PolarHBondContact O-N 2.7Å
389	I	78.1	Confident	81.5	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	20%	0.196	C	C	.	.			trans	-114.7	150.6	-178.8	-168.8	169.1	0	0	0	110.1	K118 L387 V408 L412	K118-I389 WeakPolarHBondContact CD-O 3.34Å; K118-I389 WeakPolarHBondContact CE-O 3.26Å; L387-I389 HydrophobicContact CD1-CB 4.38Å; L387-I389 HydrophobicContact CD2-CG2 4.5Å; L387-I389 HydrophobicContact CG-CB 4.32Å; L387-I389 HydrophobicContact CG-CG2 4.4Å; I389-V408 HydrophobicContact CD1-CG1 3.62Å; I389-L412 HydrophobicContact CD1-CD1 3.73Å; I389-L412 HydrophobicContact CG2-CD1 3.84Å
390	Y	74.6	Confident	82.1	Confident	10 Å²	10	34.8 Å²	34.8	4%	0.039	17%	0.165	C	C	.	.			trans	-49.3	150.5	169	49.4	-110.2	0	0	0	111.7	L193 I405	L193-Y390 HydrophobicContact CB-CE1 4.12Å; L193-Y390 WeakPolarHBondContact CD1-OH 3.41Å; Y390-I405 HydrophobicContact CD1-CG1 4.4Å; Y390-I405 HydrophobicContact CD2-CB 4.13Å; Y390-I405 HydrophobicContact CD2-CG1 3.95Å; Y390-I405 HydrophobicContact CD2-CG2 3.59Å; Y390-I405 HydrophobicContact CE1-CG1 4.15Å; Y390-I405 HydrophobicContact CE2-CB 3.81Å; Y390-I405 HydrophobicContact CE2-CG1 3.71Å; Y390-I405 HydrophobicContact CE2-CG2 3.7Å; Y390-I405 WeakPolarHBondContact CE2-O 3.37Å; Y390-I405 HydrophobicContact CG-CG1 4.3Å; Y390-I405 HydrophobicContact CG-CG2 4.47Å
391	G	73	Confident	82.6	Confident	4 Å²	4	30.7 Å²	30.7	4%	0.041	15%	0.146	C	C	.	.			trans	-73.1	174.7	177.5	0	0	0	0	0	112.4	G112 N409	G112-G391 WeakPolarHBondContact O-CA 3.29Å; G391-N409 PolarHBondContact O-ND2 3.21Å
392	F	77.1	Confident	83	Confident	17 Å²	17	26.6 Å²	26.6	8%	0.075	13%	0.126	C	C	.	.			trans	-62.3	133.2	161.8	-161.8	-82.2	0	0	0	109.1	I394 N406 N409 H505 Y506 A507 V510	F392-I394 HydrophobicContact CD1-CD1 4.16Å; F392-I394 HydrophobicContact CD1-CG1 3.79Å; F392-I394 HydrophobicContact CE1-CD1 3.89Å; F392-I394 HydrophobicContact CE1-CG1 3.65Å; F392-N406 HydrophobicContact CD2-CB 4.22Å; F392-N406 HydrophobicContact CE1-CB 4.4Å; F392-N406 HydrophobicContact CE2-CB 3.62Å; F392-N406 HydrophobicContact CZ-CB 3.7Å; F392-N406 VanDerWaalsContact CZ-CG 3.46Å; F392-N409 HydrophobicContact CB-CB 4.47Å; F392-N409 HydrophobicContact CD2-CB 3.77Å; F392-N409 PolarHBondContact N-OD1 3.23Å; F392-H505 HydrophobicContact CE2-CB 3.94Å; F392-H505 AromaticContact CE2-CG 3.99Å; F392-H505 HydrophobicContact CZ-CB 3.57Å; F392-H505 AromaticContact CZ-CD2 3.83Å; F392-H505 AromaticContact CZ-CG 3.59Å; F392-Y506 AromaticContact CD2-CE1 3.65Å; F392-Y506 HydrophobicContact CD2-CE1 3.65Å; F392-Y506 HydrophobicContact CE2-CD1 4.33Å; F392-Y506 AromaticContact CE2-CE1 3.84Å; F392-Y506 HydrophobicContact CE2-CE1 3.84Å; F392-A507 HydrophobicContact CD1-CB 3.55Å; F392-A507 HydrophobicContact CD2-CB 3.77Å; F392-A507 HydrophobicContact CE1-CB 3.57Å; F392-A507 HydrophobicContact CE2-CB 3.8Å; F392-A507 HydrophobicContact CG-CB 3.67Å; F392-A507 HydrophobicContact CZ-CB 3.71Å; F392-V510 HydrophobicContact CE1-CG2 3.67Å; F392-V510 HydrophobicContact CZ-CG2 3.92Å
393	E	75.5	Confident	83.1	Confident	10 Å²	10	25.9 Å²	25.9	5%	0.047	12%	0.123	C	C	.	.			trans	-115.2	119.7	-174.6	-68.8	-159	145.3	0	0	112	R169 F395 Q402 I405 N406	R169-E393 IonicContact CZ-OE1 3.54Å; R169-E393 IonicContact CZ-OE2 2.69Å; R169-E393 IonicContact NH1-OE1 2.63Å; R169-E393 PolarHBondContact NH1-OE1 2.83Å; R169-E393 IonicContact NH1-OE2 2.74Å; R169-E393 IonicContact NH2-OE1 2.7Å; R169-E393 IonicContact NH2-OE2 3.44Å; R169-E393 PolarHBondContact NH2-OE2 2.89Å; E393-F395 HydrophobicContact CB-CE2 3.92Å; E393-F395 HydrophobicContact CB-CZ 4.14Å; E393-F395 HydrophobicContact CG-CE2 4.21Å; E393-F395 HydrophobicContact CG-CZ 4.09Å; E393-F395 WeakPolarHBondContact OE2-CE2 3.17Å; E393-Q402 HydrophobicContact CB-CG 4.09Å; E393-Q402 PolarHBondContact OE2-NE2 3.35Å; E393-Q402 VanDerWaalsContact OE2-NE2 3.16Å; E393-I405 HydrophobicContact CB-CG2 4.03Å; E393-I405 HydrophobicContact CG-CG2 3.87Å; E393-I405 WeakPolarHBondContact OE2-CD1 3.05Å; E393-N406 PolarHBondContact N-OD1 2.85Å; E393-N406 PolarHBondContact O-ND2 2.82Å; E393-N406 PolarHBondContact O-OD1 2.9Å
394	I	77.6	Confident	82.9	Confident	47 Å²	47	25.7 Å²	25.7	24%	0.241	12%	0.122	C	C	.	.			trans	-124.7	115.7	169.4	-45.4	-176.9	0	0	0	108	R163 F392 V510	R163-I394 VanDerWaalsContact CZ-O 3.31Å; R163-I394 PolarHBondContact NH1-O 2.74Å; R163-I394 PolarHBondContact NH2-O 2.84Å; F392-I394 HydrophobicContact CD1-CD1 4.16Å; F392-I394 HydrophobicContact CD1-CG1 3.79Å; F392-I394 HydrophobicContact CE1-CD1 3.89Å; F392-I394 HydrophobicContact CE1-CG1 3.65Å; I394-V510 HydrophobicContact CD1-CG2 4.04Å; I394-V510 HydrophobicContact CG1-CG2 3.96Å
395	F	76	Confident	82.4	Confident	53 Å²	53	26.3 Å²	26.3	23%	0.232	13%	0.126	C	C	.	.			trans	-121.8	176.5	175.9	-56.4	-53.1	0	0	0	110.8	E393 N398 Q402	E393-F395 HydrophobicContact CB-CE2 3.92Å; E393-F395 HydrophobicContact CB-CZ 4.14Å; E393-F395 HydrophobicContact CG-CE2 4.21Å; E393-F395 HydrophobicContact CG-CZ 4.09Å; E393-F395 WeakPolarHBondContact OE2-CE2 3.17Å; F395-N398 PolarHBondContact N-OD1 2.77Å; F395-N398 PolarHBondContact O-ND2 2.95Å; F395-N398 PolarHBondContact O-OD1 3.4Å; F395-Q402 HydrophobicContact CD2-CG 3.74Å; F395-Q402 HydrophobicContact CE2-CG 3.93Å
396	Q	74.9	Confident	82.1	Confident	204 Å²	204	26.3 Å²	26.3	95%	0.953	13%	0.126	S	C	*	.	S	Bend	trans	-68.9	-38	176.7	-68.5	175.7	-15.7	0	0	112.4
397	K	79.4	Confident	82	Confident	115 Å²	115	26.3 Å²	26.3	50%	0.5	13%	0.126	S	C	.	.	S	Bend	trans	-119.3	123.5	168	-167.4	176.6	-171.2	168.9	0	107.8	D513 D515	K397-D513 WeakPolarHBondContact CE-OD2 3.32Å; K397-D513 HydrophobicContact CG-CB 4.33Å; K397-D513 IonicContact NZ-OD2 2.66Å; K397-D513 PolarHBondContact NZ-OD2 3.43Å; K397-D515 IonicContact NZ-OD2 2.63Å; K397-D515 PolarHBondContact NZ-OD2 2.75Å
398	N	85.6	Confident	81.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.126	C	C	.	.			trans	-116.3	121.9	179	-53.8	-76.4	0	0	0	108.8	F395 Q402 V510 S511 Y512 D513	F395-N398 PolarHBondContact N-OD1 2.77Å; F395-N398 PolarHBondContact O-ND2 2.95Å; F395-N398 PolarHBondContact O-OD1 3.4Å; N398-Q402 HydrophobicContact CB-CB 3.92Å; N398-Q402 HydrophobicContact CB-CG 4.29Å; N398-V510 HydrophobicContact CB-CG1 4.33Å; N398-S511 WeakPolarHBondContact CB-O 3.44Å; N398-S511 PolarHBondContact ND2-O 2.94Å; N398-Y512 HydrophobicContact CB-CD1 3.65Å; N398-Y512 HydrophobicContact CB-CE1 4.02Å; N398-Y512 WeakPolarHBondContact O-CA 3.16Å; N398-D513 PolarHBondContact O-N 3.38Å
399	G	87.1	Confident	81.8	Confident	9 Å²	9	26.6 Å²	26.6	9%	0.093	13%	0.127	C	C	.	.			trans	-96.7	-168.4	180	0	0	0	0	0	113.6	E401 Q402 F403	G399-E401 PolarHBondContact O-N 3.01Å; G399-Q402 PolarHBondContact O-N 2.78Å; G399-F403 PolarHBondContact O-N 2.97Å; G399-F403 VanDerWaalsContact O-N 3.07Å
400	F	85.3	Confident	82.2	Confident	8 Å²	8	26.4 Å²	26.4	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-55.5	-38.9	174.2	175.5	-105.7	0	0	0	112.1	F403 C404 L462 F517 R520 N521 A560 I564	F400-F403 HydrophobicContact CD2-CD1 4.23Å; F400-F403 HydrophobicContact CE2-CD1 4.42Å; F400-F403 WeakPolarHBondContact O-CB 3.16Å; F400-F403 PolarHBondContact O-N 3.34Å; F400-C404 PolarHBondContact O-N 2.82Å; F400-C404 PolarHBondContact O-SG 2.99Å; F400-C404 VanDerWaalsContact O-SG 3.39Å; F400-L462 HydrophobicContact CD2-CD2 4.01Å; F400-L462 HydrophobicContact CE2-CD2 3.66Å; F400-F517 HydrophobicContact CB-CD1 4.26Å; F400-F517 HydrophobicContact CB-CD2 4.1Å; F400-F517 HydrophobicContact CB-CE1 4.26Å; F400-F517 HydrophobicContact CB-CE2 4.12Å; F400-F517 HydrophobicContact CB-CG 4.19Å; F400-F517 HydrophobicContact CB-CZ 4.2Å; F400-F517 AromaticContact CD2-CD1 3.77Å; F400-F517 HydrophobicContact CD2-CD1 3.77Å; F400-F517 AromaticContact CD2-CE1 3.87Å; F400-F517 HydrophobicContact CD2-CE1 3.87Å; F400-F517 HydrophobicContact CD2-CG 4.4Å; F400-F517 VanDerWaalsContact N-CE2 3.27Å; F400-R520 HydrophobicContact CB-CB 4.04Å; F400-R520 HydrophobicContact CD1-CB 3.75Å; F400-R520 HydrophobicContact CG-CB 4.06Å; F400-N521 HydrophobicContact CD2-CB 4.38Å; F400-N521 HydrophobicContact CE2-CB 3.79Å; F400-N521 HydrophobicContact CZ-CB 3.88Å; F400-N521 WeakPolarHBondContact CZ-OD1 3.36Å; F400-A560 HydrophobicContact CE1-CB 3.63Å; F400-A560 HydrophobicContact CZ-CB 3.78Å; F400-I564 HydrophobicContact CE1-CD1 4.24Å; F400-I564 HydrophobicContact CZ-CD1 4.31Å
401	E	80.4	Confident	82.8	Confident	29 Å²	29	27.2 Å²	27.2	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-45.2	178.3	-61.8	92.9	146.4	0	0	112	E195 S197 G399 C404 I405 R520	E195-E401 HydrophobicContact CG-CG 4.36Å; S197-E401 VanDerWaalsContact CB-OE1 3.22Å; S197-E401 WeakPolarHBondContact CB-OE1 3.4Å; S197-E401 PolarHBondContact OG-OE1 3.25Å; G399-E401 PolarHBondContact O-N 3.01Å; E401-C404 PolarHBondContact O-N 3.32Å; E401-I405 WeakPolarHBondContact O-CB 3.48Å; E401-I405 VanDerWaalsContact O-CG1 3.31Å; E401-I405 WeakPolarHBondContact O-CG1 3.3Å; E401-I405 PolarHBondContact O-N 3.3Å; E401-R520 IonicContact OE1-NH1 3.82Å; E401-R520 PolarHBondContact OE1-NH1 3.39Å; E401-R520 WeakPolarHBondContact OE2-CD 3.27Å; E401-R520 IonicContact OE2-CZ 2.91Å; E401-R520 IonicContact OE2-NH1 3.53Å; E401-R520 PolarHBondContact OE2-NH1 2.96Å
402	Q	84.8	Confident	83.4	Confident	18 Å²	18	27.7 Å²	27.7	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-38.8	174.4	-80.9	63.5	56.1	0	0	111.9	E393 F395 N398 G399 C404 I405 N406 Y512	E393-Q402 HydrophobicContact CB-CG 4.09Å; E393-Q402 PolarHBondContact OE2-NE2 3.35Å; E393-Q402 VanDerWaalsContact OE2-NE2 3.16Å; F395-Q402 HydrophobicContact CD2-CG 3.74Å; F395-Q402 HydrophobicContact CE2-CG 3.93Å; N398-Q402 HydrophobicContact CB-CB 3.92Å; N398-Q402 HydrophobicContact CB-CG 4.29Å; G399-Q402 PolarHBondContact O-N 2.78Å; Q402-C404 VanDerWaalsContact C-N 3.34Å; Q402-C404 PolarHBondContact O-N 3.47Å; Q402-I405 PolarHBondContact O-N 3.37Å; Q402-N406 VanDerWaalsContact O-CB 3.31Å; Q402-N406 WeakPolarHBondContact O-CB 3.44Å; Q402-N406 VanDerWaalsContact O-CG 3.24Å; Q402-N406 PolarHBondContact O-N 2.85Å; Q402-N406 PolarHBondContact O-ND2 2.88Å; Q402-Y512 HydrophobicContact CB-CE1 4.2Å
403	F	90.3	Very high	83.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-44	175.1	162.7	-100.4	0	0	0	111.6	G399 F400 F407 I450 I458 M459 F501 I503 Y512 F517	G399-F403 PolarHBondContact O-N 2.97Å; G399-F403 VanDerWaalsContact O-N 3.07Å; F400-F403 HydrophobicContact CD2-CD1 4.23Å; F400-F403 HydrophobicContact CE2-CD1 4.42Å; F400-F403 WeakPolarHBondContact O-CB 3.16Å; F400-F403 PolarHBondContact O-N 3.34Å; F403-F407 WeakPolarHBondContact O-CB 3.48Å; F403-F407 PolarHBondContact O-N 2.96Å; F403-I450 HydrophobicContact CE2-CG1 4.21Å; F403-I450 HydrophobicContact CE2-CG2 4.07Å; F403-I450 HydrophobicContact CZ-CG2 3.74Å; F403-I458 HydrophobicContact CE2-CB 4.39Å; F403-I458 HydrophobicContact CE2-CD1 4.27Å; F403-I458 HydrophobicContact CE2-CG2 3.9Å; F403-I458 HydrophobicContact CZ-CB 4.1Å; F403-I458 HydrophobicContact CZ-CG2 3.6Å; F403-M459 HydrophobicContact CE1-CE 3.87Å; F403-M459 HydrophobicContact CE1-CG 4.05Å; F403-M459 HydrophobicContact CZ-CE 4.31Å; F403-M459 HydrophobicContact CZ-CG 4.1Å; F403-F501 HydrophobicContact CD2-CE2 4.19Å; F403-F501 HydrophobicContact CD2-CZ 4.25Å; F403-F501 HydrophobicContact CE2-CE2 4.36Å; F403-F501 HydrophobicContact CE2-CZ 4.47Å; F403-I503 HydrophobicContact CD2-CD1 4Å; F403-I503 HydrophobicContact CE2-CD1 3.84Å; F403-Y512 VanDerWaalsContact CA-CE1 3.42Å; F403-Y512 HydrophobicContact CB-CD1 3.79Å; F403-Y512 HydrophobicContact CB-CE1 3.69Å; F403-Y512 HydrophobicContact CB-CG 4.38Å; F403-Y512 HydrophobicContact CD2-CE2 4.42Å; F403-F517 HydrophobicContact CB-CE1 4.13Å; F403-F517 HydrophobicContact CB-CZ 3.77Å; F403-F517 AromaticContact CD1-CE1 3.85Å; F403-F517 HydrophobicContact CD1-CE1 3.85Å; F403-F517 HydrophobicContact CD1-CZ 4.37Å; F403-F517 HydrophobicContact CE1-CE1 4.38Å; F403-F517 AromaticContact CG-CE1 3.96Å; F403-F517 HydrophobicContact CG-CE1 3.96Å; F403-F517 HydrophobicContact CG-CZ 4.09Å
404	C	86.7	Confident	84.2	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.054	13%	0.134	C	C	.	.	H	α-helix	trans	-67.9	-40.8	174.9	-69.9	0	0	0	0	113.2	F400 E401 Q402 F407 V408 I564	F400-C404 PolarHBondContact O-N 2.82Å; F400-C404 PolarHBondContact O-SG 2.99Å; F400-C404 VanDerWaalsContact O-SG 3.39Å; E401-C404 PolarHBondContact O-N 3.32Å; Q402-C404 VanDerWaalsContact C-N 3.34Å; Q402-C404 PolarHBondContact O-N 3.47Å; C404-F407 PolarHBondContact O-N 2.99Å; C404-V408 WeakPolarHBondContact O-CG2 3.46Å; C404-V408 PolarHBondContact O-N 2.97Å; C404-I564 HydrophobicContact CB-CD1 3.86Å; C404-I564 HydrophobicContact CB-CG2 4.02Å; C404-I564 WeakPolarHBondContact SG-CD1 3.37Å
405	I	82.7	Confident	84.4	Confident	13 Å²	13	26.2 Å²	26.2	7%	0.067	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-46.2	174.3	-81.2	167.2	0	0	0	111.4	Y390 E393 E401 Q402 V408 N409	Y390-I405 HydrophobicContact CD1-CG1 4.4Å; Y390-I405 HydrophobicContact CD2-CB 4.13Å; Y390-I405 HydrophobicContact CD2-CG1 3.95Å; Y390-I405 HydrophobicContact CD2-CG2 3.59Å; Y390-I405 HydrophobicContact CE1-CG1 4.15Å; Y390-I405 HydrophobicContact CE2-CB 3.81Å; Y390-I405 HydrophobicContact CE2-CG1 3.71Å; Y390-I405 HydrophobicContact CE2-CG2 3.7Å; Y390-I405 WeakPolarHBondContact CE2-O 3.37Å; Y390-I405 HydrophobicContact CG-CG1 4.3Å; Y390-I405 HydrophobicContact CG-CG2 4.47Å; E393-I405 HydrophobicContact CB-CG2 4.03Å; E393-I405 HydrophobicContact CG-CG2 3.87Å; E393-I405 WeakPolarHBondContact OE2-CD1 3.05Å; E401-I405 WeakPolarHBondContact O-CB 3.48Å; E401-I405 VanDerWaalsContact O-CG1 3.31Å; E401-I405 WeakPolarHBondContact O-CG1 3.3Å; E401-I405 PolarHBondContact O-N 3.3Å; Q402-I405 PolarHBondContact O-N 3.37Å; I405-V408 PolarHBondContact O-N 2.84Å; I405-N409 PolarHBondContact O-N 2.78Å; I405-N409 PolarHBondContact O-ND2 3.1Å
406	N	87.6	Confident	84.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.4	-36	-178.3	-70.1	-18	0	0	0	112.1	F392 E393 Q402 V408 N409 E410 Y512	F392-N406 HydrophobicContact CD2-CB 4.22Å; F392-N406 HydrophobicContact CE1-CB 4.4Å; F392-N406 HydrophobicContact CE2-CB 3.62Å; F392-N406 HydrophobicContact CZ-CB 3.7Å; F392-N406 VanDerWaalsContact CZ-CG 3.46Å; E393-N406 PolarHBondContact N-OD1 2.85Å; E393-N406 PolarHBondContact O-ND2 2.82Å; E393-N406 PolarHBondContact O-OD1 2.9Å; Q402-N406 VanDerWaalsContact O-CB 3.31Å; Q402-N406 WeakPolarHBondContact O-CB 3.44Å; Q402-N406 VanDerWaalsContact O-CG 3.24Å; Q402-N406 PolarHBondContact O-N 2.85Å; Q402-N406 PolarHBondContact O-ND2 2.88Å; N406-V408 VanDerWaalsContact C-N 3.32Å; N406-V408 PolarHBondContact O-N 3.38Å; N406-N409 PolarHBondContact O-N 3.25Å; N406-E410 WeakPolarHBondContact O-CB 3.38Å; N406-E410 PolarHBondContact O-N 3.03Å; N406-Y512 WeakPolarHBondContact CB-OH 3.5Å; N406-Y512 PolarHBondContact ND2-OH 3.07Å
407	F	89.9	Confident	84.8	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-41.8	170.7	167.2	-112.7	0	0	0	112.9	F403 C404 E410 K411 I450 E451 M459 A568	F403-F407 WeakPolarHBondContact O-CB 3.48Å; F403-F407 PolarHBondContact O-N 2.96Å; C404-F407 PolarHBondContact O-N 2.99Å; F407-E410 WeakPolarHBondContact O-CB 3.41Å; F407-E410 PolarHBondContact O-N 3.34Å; F407-K411 HydrophobicContact CD2-CG 4.46Å; F407-K411 HydrophobicContact CE1-CG 4.48Å; F407-K411 HydrophobicContact CE2-CG 3.95Å; F407-K411 HydrophobicContact CZ-CD 4.48Å; F407-K411 HydrophobicContact CZ-CG 3.96Å; F407-K411 PolarHBondContact O-N 3.26Å; F407-I450 HydrophobicContact CB-CD1 4.26Å; F407-I450 HydrophobicContact CB-CG2 4.18Å; F407-I450 HydrophobicContact CD2-CB 3.84Å; F407-I450 HydrophobicContact CD2-CD1 4.02Å; F407-I450 HydrophobicContact CD2-CG2 3.36Å; F407-I450 HydrophobicContact CE2-CB 4.23Å; F407-I450 HydrophobicContact CE2-CG2 3.87Å; F407-I450 HydrophobicContact CG-CG2 3.83Å; F407-E451 HydrophobicContact CE2-CB 3.87Å; F407-E451 HydrophobicContact CE2-CG 3.87Å; F407-E451 HydrophobicContact CZ-CB 3.86Å; F407-E451 HydrophobicContact CZ-CG 4.02Å; F407-M459 HydrophobicContact CB-CE 4.4Å; F407-M459 HydrophobicContact CD1-CE 3.63Å; F407-M459 HydrophobicContact CE1-CE 4Å; F407-M459 HydrophobicContact CE1-SD 4.44Å; F407-M459 HydrophobicContact CG-CE 3.95Å; F407-A568 HydrophobicContact CE1-CB 4.05Å
408	V	85.9	Confident	84.7	Confident	2 Å²	2	12.3 Å²	12.3	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-74	-33	179.8	178.5	0	0	0	0	111.8	L193 I389 C404 I405 N406 K411 L412 A568	L193-V408 HydrophobicContact CD1-CB 4.38Å; L193-V408 HydrophobicContact CD1-CG1 4.27Å; L193-V408 HydrophobicContact CD1-CG2 3.71Å; I389-V408 HydrophobicContact CD1-CG1 3.62Å; C404-V408 WeakPolarHBondContact O-CG2 3.46Å; C404-V408 PolarHBondContact O-N 2.97Å; I405-V408 PolarHBondContact O-N 2.84Å; N406-V408 VanDerWaalsContact C-N 3.32Å; N406-V408 PolarHBondContact O-N 3.38Å; V408-K411 PolarHBondContact O-N 3.46Å; V408-L412 WeakPolarHBondContact O-CG 3.33Å; V408-L412 PolarHBondContact O-N 3.13Å; V408-A568 HydrophobicContact CG2-CB 3.91Å
409	N	84.6	Confident	84.2	Confident	7 Å²	7	14.8 Å²	14.8	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-40.6	169.4	-81.8	-92.7	0	0	0	111.8	G391 F392 I405 N406 K411 L412 Q413 Y506	G391-N409 PolarHBondContact O-ND2 3.21Å; F392-N409 HydrophobicContact CB-CB 4.47Å; F392-N409 HydrophobicContact CD2-CB 3.77Å; F392-N409 PolarHBondContact N-OD1 3.23Å; I405-N409 PolarHBondContact O-N 2.78Å; I405-N409 PolarHBondContact O-ND2 3.1Å; N406-N409 PolarHBondContact O-N 3.25Å; N409-K411 PolarHBondContact O-N 2.81Å; N409-L412 PolarHBondContact O-N 2.85Å; N409-Q413 WeakPolarHBondContact O-CB 3.17Å; N409-Q413 PolarHBondContact O-N 3.24Å; N409-Y506 HydrophobicContact CB-CE1 4.33Å
410	E	87.8	Confident	83.4	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.7	-46	173.5	-161.6	71.3	-108.2	0	0	111.4	N406 F407 Q413 Q414 N443 V446 H505 Y506	N406-E410 WeakPolarHBondContact O-CB 3.38Å; N406-E410 PolarHBondContact O-N 3.03Å; F407-E410 WeakPolarHBondContact O-CB 3.41Å; F407-E410 PolarHBondContact O-N 3.34Å; E410-Q413 PolarHBondContact O-N 2.87Å; E410-Q414 PolarHBondContact O-N 2.96Å; E410-N443 WeakPolarHBondContact OE1-CB 3.23Å; E410-N443 PolarHBondContact OE1-ND2 3.13Å; E410-V446 HydrophobicContact CG-CB 3.99Å; E410-V446 HydrophobicContact CG-CG1 3.98Å; E410-V446 WeakPolarHBondContact OE2-CG1 3.06Å; E410-H505 WeakPolarHBondContact OE2-CA 3.18Å; E410-H505 WeakPolarHBondContact OE2-CB 3.39Å; E410-H505 IonicContact OE2-CE1 3.2Å; E410-H505 IonicContact OE2-CG 3.43Å; E410-H505 IonicContact OE2-ND1 2.74Å; E410-H505 PolarHBondContact OE2-ND1 3.01Å; E410-Y506 VanDerWaalsContact OE1-CD1 3.25Å; E410-Y506 WeakPolarHBondContact OE1-CD1 3.21Å; E410-Y506 PolarHBondContact OE2-N 3.28Å
411	K	87.8	Confident	82.8	Confident	26 Å²	26	15.2 Å²	15.2	11%	0.113	8%	0.075	C	C	.	.	H	α-helix	trans	-59.8	-47.3	174.2	-80.9	-79.2	-174.6	165	0	112.6	F407 V408 N409 Q413 Q414 I415 E451 N569 V572	F407-K411 HydrophobicContact CD2-CG 4.46Å; F407-K411 HydrophobicContact CE1-CG 4.48Å; F407-K411 HydrophobicContact CE2-CG 3.95Å; F407-K411 HydrophobicContact CZ-CD 4.48Å; F407-K411 HydrophobicContact CZ-CG 3.96Å; F407-K411 PolarHBondContact O-N 3.26Å; V408-K411 PolarHBondContact O-N 3.46Å; N409-K411 PolarHBondContact O-N 2.81Å; K411-Q413 VanDerWaalsContact C-N 3.32Å; K411-Q413 PolarHBondContact O-N 2.7Å; K411-Q414 PolarHBondContact O-N 2.85Å; K411-I415 WeakPolarHBondContact O-CG1 3.34Å; K411-I415 PolarHBondContact O-N 3.35Å; K411-I415 VanDerWaalsContact O-N 3.09Å; K411-E451 VanDerWaalsContact CE-CD 3.42Å; K411-E451 WeakPolarHBondContact CE-OE1 3.47Å; K411-E451 WeakPolarHBondContact CE-OE2 3.39Å; K411-E451 IonicContact NZ-OE1 2.68Å; K411-E451 PolarHBondContact NZ-OE1 3.21Å; K411-E451 IonicContact NZ-OE2 3.91Å; K411-E451 PolarHBondContact NZ-OE2 3.27Å; K411-N569 PolarHBondContact NZ-OD1 2.63Å; K411-V572 HydrophobicContact CD-CG2 4.5Å
412	L	85	Confident	82.5	Confident	14 Å²	14	17.1 Å²	17.1	7%	0.073	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-34.2	178.5	-70.5	173.9	0	0	0	112.4	L387 I389 V408 N409 I415 F416 L571 L575	L387-L412 HydrophobicContact CD2-CD1 4Å; L387-L412 HydrophobicContact CD2-CD2 3.9Å; I389-L412 HydrophobicContact CD1-CD1 3.73Å; I389-L412 HydrophobicContact CG2-CD1 3.84Å; V408-L412 WeakPolarHBondContact O-CG 3.33Å; V408-L412 PolarHBondContact O-N 3.13Å; N409-L412 PolarHBondContact O-N 2.85Å; L412-I415 HydrophobicContact CD2-CD1 3.98Å; L412-I415 PolarHBondContact O-N 3.18Å; L412-F416 PolarHBondContact O-N 2.81Å; L412-F416 VanDerWaalsContact O-N 3.09Å; L412-L571 HydrophobicContact CD2-CD2 4.49Å; L412-L575 HydrophobicContact CD2-CD1 3.58Å
413	Q	83	Confident	82	Confident	14 Å²	14	18.3 Å²	18.3	7%	0.065	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-36.7	174.6	-171.1	68.9	-3.3	0	0	111.9	N409 E410 K411 F416 I417 N443 Y506	N409-Q413 WeakPolarHBondContact O-CB 3.17Å; N409-Q413 PolarHBondContact O-N 3.24Å; E410-Q413 PolarHBondContact O-N 2.87Å; K411-Q413 VanDerWaalsContact C-N 3.32Å; K411-Q413 PolarHBondContact O-N 2.7Å; Q413-F416 WeakPolarHBondContact O-CB 3.36Å; Q413-F416 PolarHBondContact O-N 3.17Å; Q413-I417 HydrophobicContact CG-CD1 4.2Å; Q413-I417 WeakPolarHBondContact O-CG1 3.32Å; Q413-I417 PolarHBondContact O-N 3.35Å; Q413-N443 VanDerWaalsContact CG-ND2 3.34Å; Q413-N443 WeakPolarHBondContact CG-ND2 3.34Å; Q413-Y506 HydrophobicContact CB-CD1 4.29Å; Q413-Y506 HydrophobicContact CB-CD2 4.37Å; Q413-Y506 HydrophobicContact CB-CE1 4.11Å; Q413-Y506 HydrophobicContact CB-CE2 4.18Å; Q413-Y506 HydrophobicContact CB-CG 4.41Å; Q413-Y506 HydrophobicContact CG-CD1 4.38Å; Q413-Y506 HydrophobicContact CG-CD2 3.72Å; Q413-Y506 HydrophobicContact CG-CE1 4.49Å; Q413-Y506 HydrophobicContact CG-CE2 3.84Å; Q413-Y506 HydrophobicContact CG-CG 3.99Å
414	Q	85.9	Confident	81.3	Confident	25 Å²	25	18.6 Å²	18.6	12%	0.117	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-41.7	171	-178.8	61.4	24	0	0	112.1	E410 K411 F416 I417 E418 N442 N443	E410-Q414 PolarHBondContact O-N 2.96Å; K411-Q414 PolarHBondContact O-N 2.85Å; Q414-F416 VanDerWaalsContact C-N 3.34Å; Q414-F416 PolarHBondContact O-N 3Å; Q414-I417 PolarHBondContact O-N 3.47Å; Q414-E418 WeakPolarHBondContact O-CB 3.32Å; Q414-E418 PolarHBondContact O-N 2.94Å; Q414-N442 PolarHBondContact NE2-OD1 2.99Å; Q414-N442 PolarHBondContact OE1-OD1 3.33Å; Q414-N443 HydrophobicContact CB-CB 4.21Å; Q414-N443 VanDerWaalsContact OE1-N 3.13Å
415	I	82.8	Confident	80.9	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-45.3	173.8	-60.8	166.3	0	0	0	110.6	K411 L412 I417 E418 L419 V572 L575 M576	K411-I415 WeakPolarHBondContact O-CG1 3.34Å; K411-I415 PolarHBondContact O-N 3.35Å; K411-I415 VanDerWaalsContact O-N 3.09Å; L412-I415 HydrophobicContact CD2-CD1 3.98Å; L412-I415 PolarHBondContact O-N 3.18Å; I415-I417 VanDerWaalsContact C-N 3.34Å; I415-I417 PolarHBondContact O-N 2.81Å; I415-E418 PolarHBondContact O-N 3.12Å; I415-L419 HydrophobicContact CG2-CD1 3.56Å; I415-L419 HydrophobicContact CG2-CG 4.07Å; I415-L419 WeakPolarHBondContact O-CB 3.39Å; I415-L419 PolarHBondContact O-N 3.25Å; I415-V572 HydrophobicContact CD1-CB 4.06Å; I415-V572 HydrophobicContact CD1-CG1 4.03Å; I415-V572 HydrophobicContact CD1-CG2 3.61Å; I415-V572 HydrophobicContact CG1-CG1 4.16Å; I415-V572 HydrophobicContact CG1-CG2 4.25Å; I415-L575 HydrophobicContact CD1-CD1 4.05Å; I415-M576 HydrophobicContact CG2-CE 4.42Å
416	F	80.4	Confident	80.8	Confident	8 Å²	8	23.1 Å²	23.1	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-44.8	176.8	169.7	-97.7	0	0	0	111.8	V55 L412 Q413 Q414 T420 Y582 N614	V55-F416 HydrophobicContact CG2-CE2 4.11Å; L412-F416 PolarHBondContact O-N 2.81Å; L412-F416 VanDerWaalsContact O-N 3.09Å; Q413-F416 WeakPolarHBondContact O-CB 3.36Å; Q413-F416 PolarHBondContact O-N 3.17Å; Q414-F416 VanDerWaalsContact C-N 3.34Å; Q414-F416 PolarHBondContact O-N 3Å; F416-T420 HydrophobicContact CD2-CG2 3.8Å; F416-T420 HydrophobicContact CE2-CG2 3.82Å; F416-T420 VanDerWaalsContact O-CB 3.29Å; F416-T420 WeakPolarHBondContact O-CB 3.2Å; F416-T420 WeakPolarHBondContact O-CG2 3.37Å; F416-T420 PolarHBondContact O-N 3.18Å; F416-T420 PolarHBondContact O-OG1 2.94Å; F416-Y582 HydrophobicContact CB-CE1 3.93Å; F416-Y582 AromaticContact CD2-CD1 3.75Å; F416-Y582 HydrophobicContact CD2-CD1 3.75Å; F416-Y582 AromaticContact CD2-CD2 3.87Å; F416-Y582 HydrophobicContact CD2-CD2 3.87Å; F416-Y582 AromaticContact CD2-CE1 3.66Å; F416-Y582 HydrophobicContact CD2-CE1 3.66Å; F416-Y582 AromaticContact CD2-CE2 3.79Å; F416-Y582 HydrophobicContact CD2-CE2 3.79Å; F416-Y582 AromaticContact CD2-CG 3.85Å; F416-Y582 HydrophobicContact CD2-CG 3.85Å; F416-Y582 AromaticContact CD2-CZ 3.7Å; F416-Y582 HydrophobicContact CE2-CD1 4.49Å; F416-Y582 HydrophobicContact CE2-CD2 4.13Å; F416-Y582 HydrophobicContact CE2-CE2 4.38Å; F416-Y582 HydrophobicContact CE2-CG 4.19Å; F416-Y582 HydrophobicContact CG-CE1 4.28Å; F416-N614 HydrophobicContact CZ-CB 4.47Å
417	I	76.9	Confident	80.6	Confident	11 Å²	11	24.4 Å²	24.4	6%	0.056	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-45.6	178	-73.6	161.7	0	0	0	111.4	Q413 Q414 I415 L421 K422 Y440 N443	Q413-I417 HydrophobicContact CG-CD1 4.2Å; Q413-I417 WeakPolarHBondContact O-CG1 3.32Å; Q413-I417 PolarHBondContact O-N 3.35Å; Q414-I417 PolarHBondContact O-N 3.47Å; I415-I417 VanDerWaalsContact C-N 3.34Å; I415-I417 PolarHBondContact O-N 2.81Å; I417-L421 HydrophobicContact CB-CD1 4.42Å; I417-L421 HydrophobicContact CG1-CD1 4.18Å; I417-L421 HydrophobicContact CG2-CD1 4.28Å; I417-L421 WeakPolarHBondContact O-CA 3.44Å; I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.4Å; I417-L421 PolarHBondContact O-N 2.68Å; I417-K422 PolarHBondContact O-N 2.8Å; I417-Y440 HydrophobicContact CG2-CD2 3.44Å; I417-Y440 VanDerWaalsContact CG2-CD2 3.44Å; I417-Y440 HydrophobicContact CG2-CE2 3.36Å; I417-Y440 HydrophobicContact CG2-CG 4.48Å; I417-N443 HydrophobicContact CD1-CB 4.31Å; I417-N443 WeakPolarHBondContact CD1-OD1 3.2Å
418	E	77.4	Confident	80.5	Confident	60 Å²	60	24.6 Å²	24.6	28%	0.28	12%	0.124	S	C	.	.	I	π-helix	trans	-67.5	-51.4	-179.4	-179.3	142.2	-126	0	0	112.5	Q414 I415 T420 K422 A423	Q414-E418 WeakPolarHBondContact O-CB 3.32Å; Q414-E418 PolarHBondContact O-N 2.94Å; I415-E418 PolarHBondContact O-N 3.12Å; E418-T420 PolarHBondContact O-N 3.02Å; E418-K422 HydrophobicContact CG-CD 4.24Å; E418-K422 WeakPolarHBondContact O-CB 3.5Å; E418-K422 IonicContact OE1-NZ 2.7Å; E418-K422 PolarHBondContact OE1-NZ 2.96Å; E418-A423 PolarHBondContact O-N 2.86Å; E418-A423 VanDerWaalsContact O-N 3.12Å
419	L	75.1	Confident	80.5	Confident	54 Å²	54	28.8 Å²	28.8	28%	0.283	15%	0.15	S	C	.	.	I	π-helix	trans	-76.8	-19.5	-175.8	-65.8	-177	0	0	0	114.2	I415 M576 P580	I415-L419 HydrophobicContact CG2-CD1 3.56Å; I415-L419 HydrophobicContact CG2-CG 4.07Å; I415-L419 WeakPolarHBondContact O-CB 3.39Å; I415-L419 PolarHBondContact O-N 3.25Å; L419-M576 HydrophobicContact CD1-SD 3.8Å; L419-M576 HydrophobicContact CD2-CE 4.48Å; L419-M576 HydrophobicContact CD2-SD 3.73Å; L419-M576 HydrophobicContact CG-CE 4.46Å; L419-M576 HydrophobicContact CG-SD 3.95Å; L419-P580 HydrophobicContact CB-CG 4.1Å; L419-P580 HydrophobicContact CD1-CB 4.39Å; L419-P580 HydrophobicContact CD1-CG 3.78Å
420	T	71.1	Confident	80.7	Confident	14 Å²	14	34.6 Å²	34.6	9%	0.086	18%	0.177	C	C	.	.	I	π-helix	trans	-110	-31.5	-179.2	73.5	0	0	0	0	115.4	F416 E418 Y582 R618	F416-T420 HydrophobicContact CD2-CG2 3.8Å; F416-T420 HydrophobicContact CE2-CG2 3.82Å; F416-T420 VanDerWaalsContact O-CB 3.29Å; F416-T420 WeakPolarHBondContact O-CB 3.2Å; F416-T420 WeakPolarHBondContact O-CG2 3.37Å; F416-T420 PolarHBondContact O-N 3.18Å; F416-T420 PolarHBondContact O-OG1 2.94Å; E418-T420 PolarHBondContact O-N 3.02Å; T420-Y582 HydrophobicContact CG2-CD2 4.2Å; T420-Y582 HydrophobicContact CG2-CE2 3.59Å; T420-R618 PolarHBondContact O-NH2 3.04Å; T420-R618 VanDerWaalsContact O-NH2 3.14Å
421	L	71.8	Confident	80.8	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.058	18%	0.18	C	C	.	.	I	π-helix	trans	-105.1	-54.7	-174.8	-39.3	-179.2	0	0	0	110.8	I417 E424 Q425 Y440 V617	I417-L421 HydrophobicContact CB-CD1 4.42Å; I417-L421 HydrophobicContact CG1-CD1 4.18Å; I417-L421 HydrophobicContact CG2-CD1 4.28Å; I417-L421 WeakPolarHBondContact O-CA 3.44Å; I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.4Å; I417-L421 PolarHBondContact O-N 2.68Å; L421-E424 PolarHBondContact O-N 2.87Å; L421-Q425 WeakPolarHBondContact O-CG 3.39Å; L421-Q425 PolarHBondContact O-N 2.9Å; L421-Q425 VanDerWaalsContact O-N 3.1Å; L421-Y440 HydrophobicContact CD1-CG 4.22Å; L421-V617 HydrophobicContact CD1-CG2 4.35Å; L421-V617 HydrophobicContact CD2-CB 4.06Å; L421-V617 HydrophobicContact CD2-CG1 3.8Å; L421-V617 HydrophobicContact CD2-CG2 4.15Å
422	K	74.9	Confident	80.8	Confident	69 Å²	69	36.5 Å²	36.5	30%	0.3	20%	0.201	S	C	.	.	I	π-helix	trans	-62.7	-51.5	-179.6	175.4	-176.7	156.1	-169.8	0	111.7	I417 E418 E424 Q425 E426	I417-K422 PolarHBondContact O-N 2.8Å; E418-K422 HydrophobicContact CG-CD 4.24Å; E418-K422 WeakPolarHBondContact O-CB 3.5Å; E418-K422 IonicContact OE1-NZ 2.7Å; E418-K422 PolarHBondContact OE1-NZ 2.96Å; K422-E424 PolarHBondContact O-N 3.25Å; K422-E424 VanDerWaalsContact O-N 3.12Å; K422-Q425 PolarHBondContact O-N 2.95Å; K422-Q425 VanDerWaalsContact O-N 3.13Å; K422-E426 WeakPolarHBondContact CE-OE1 3.41Å; K422-E426 HydrophobicContact CG-CG 4.44Å; K422-E426 IonicContact NZ-OE1 3.38Å; K422-E426 WeakPolarHBondContact O-CG 3.38Å; K422-E426 PolarHBondContact O-N 3.48Å
423	A	74.4	Confident	81	Confident	44 Å²	44	36.5 Å²	36.5	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-58.2	-27	177.9	0	0	0	0	0	113.5	E418 E427	E418-A423 PolarHBondContact O-N 2.86Å; E418-A423 VanDerWaalsContact O-N 3.12Å; A423-E427 PolarHBondContact O-N 3.28Å; A423-E427 VanDerWaalsContact O-N 3.09Å
424	E	74.9	Confident	81	Confident	6 Å²	6	44 Å²	44	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-78.3	-42.1	176.6	-178.9	158	140.1	0	0	112.6	L421 K422 E426 E427 Y428 R618 R625	L421-E424 PolarHBondContact O-N 2.87Å; K422-E424 PolarHBondContact O-N 3.25Å; K422-E424 VanDerWaalsContact O-N 3.12Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E427 PolarHBondContact O-N 2.98Å; E424-Y428 VanDerWaalsContact CD-OH 3.29Å; E424-Y428 HydrophobicContact CG-CD2 4.47Å; E424-Y428 HydrophobicContact CG-CE1 3.99Å; E424-Y428 HydrophobicContact CG-CE2 3.68Å; E424-Y428 WeakPolarHBondContact CG-OH 3.45Å; E424-Y428 WeakPolarHBondContact O-CD1 3.34Å; E424-Y428 WeakPolarHBondContact O-CD2 3.4Å; E424-Y428 VanDerWaalsContact O-CG 3.23Å; E424-Y428 PolarHBondContact O-N 2.79Å; E424-Y428 VanDerWaalsContact O-N 3.07Å; E424-Y428 PolarHBondContact OE1-OH 3.49Å; E424-R618 IonicContact OE1-NH1 2.67Å; E424-R618 PolarHBondContact OE1-NH1 3.26Å; E424-R618 IonicContact OE2-CZ 2.73Å; E424-R618 IonicContact OE2-NH1 2.67Å; E424-R618 PolarHBondContact OE2-NH1 3.08Å; E424-R618 IonicContact OE2-NH2 2.64Å; E424-R625 IonicContact OE2-CZ 3.6Å; E424-R625 IonicContact OE2-NH1 3.03Å; E424-R625 IonicContact OE2-NH2 3.25Å; E424-R625 PolarHBondContact OE2-NH2 3.08Å
425	Q	77.8	Confident	80.7	Confident	30 Å²	30	45.9 Å²	45.9	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-39.5	171.4	-64.9	-171.2	28	0	0	111.4	L421 K422 Y428 V429 W435 I438	L421-Q425 WeakPolarHBondContact O-CG 3.39Å; L421-Q425 PolarHBondContact O-N 2.9Å; L421-Q425 VanDerWaalsContact O-N 3.1Å; K422-Q425 PolarHBondContact O-N 2.95Å; K422-Q425 VanDerWaalsContact O-N 3.13Å; Q425-Y428 PolarHBondContact O-N 3.29Å; Q425-V429 WeakPolarHBondContact O-CG2 3.42Å; Q425-V429 PolarHBondContact O-N 3.35Å; Q425-W435 HydrophobicContact CB-CH2 3.6Å; Q425-W435 HydrophobicContact CB-CZ2 4.31Å; Q425-W435 HydrophobicContact CB-CZ3 3.74Å; Q425-W435 HydrophobicContact CG-CE3 4.28Å; Q425-W435 HydrophobicContact CG-CH2 3.82Å; Q425-W435 HydrophobicContact CG-CZ3 3.44Å; Q425-W435 VanDerWaalsContact CG-CZ3 3.44Å; Q425-W435 VanDerWaalsContact OE1-CH2 3.3Å; Q425-I438 PolarHBondContact NE2-O 3.28Å
426	E	82.2	Confident	80.3	Confident	86 Å²	86	51 Å²	51	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-41.2	174.1	-73	176.1	178.1	0	0	112.3	K422 E424 Y428 V429 Q430	K422-E426 WeakPolarHBondContact CE-OE1 3.41Å; K422-E426 HydrophobicContact CG-CG 4.44Å; K422-E426 IonicContact NZ-OE1 3.38Å; K422-E426 WeakPolarHBondContact O-CG 3.38Å; K422-E426 PolarHBondContact O-N 3.48Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E426-Y428 VanDerWaalsContact C-N 3.35Å; E426-Y428 PolarHBondContact O-N 3.34Å; E426-V429 PolarHBondContact O-N 2.72Å; E426-Q430 WeakPolarHBondContact O-CB 3.37Å; E426-Q430 VanDerWaalsContact O-CG 3.26Å; E426-Q430 WeakPolarHBondContact O-CG 3.44Å; E426-Q430 PolarHBondContact O-N 3.06Å
427	E	83.8	Confident	79.9	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-42.3	172.8	-171.5	-170.5	-130.9	0	0	111.5	A423 E424 V429 Q430 E431 R625 K674 F676	A423-E427 PolarHBondContact O-N 3.28Å; A423-E427 VanDerWaalsContact O-N 3.09Å; E424-E427 PolarHBondContact O-N 2.98Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 PolarHBondContact O-N 2.81Å; E427-Q430 PolarHBondContact O-N 3.44Å; E427-E431 HydrophobicContact CG-CG 4.31Å; E427-E431 WeakPolarHBondContact O-CB 3.45Å; E427-E431 PolarHBondContact O-N 2.99Å; E427-R625 WeakPolarHBondContact OE2-CD 3.19Å; E427-R625 IonicContact OE2-CZ 3.21Å; E427-R625 IonicContact OE2-NE 2.92Å; E427-R625 IonicContact OE2-NH1 3.77Å; E427-R625 PolarHBondContact OE2-NH1 3.35Å; E427-K674 WeakPolarHBondContact OE1-CD 3.37Å; E427-K674 WeakPolarHBondContact OE1-CE 3.44Å; E427-K674 IonicContact OE1-NZ 3.04Å; E427-K674 PolarHBondContact OE1-NZ 2.77Å; E427-F676 HydrophobicContact CG-CZ 4.41Å; E427-F676 WeakPolarHBondContact OE2-CE1 3.43Å
428	Y	85.9	Confident	79.7	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-36.9	178.8	-59.7	-21.9	0	0	0	112.3	E424 Q425 E426 G432 I433 W435 G621 Y622 F676	E424-Y428 VanDerWaalsContact CD-OH 3.29Å; E424-Y428 HydrophobicContact CG-CD2 4.47Å; E424-Y428 HydrophobicContact CG-CE1 3.99Å; E424-Y428 HydrophobicContact CG-CE2 3.68Å; E424-Y428 WeakPolarHBondContact CG-OH 3.45Å; E424-Y428 WeakPolarHBondContact O-CD1 3.34Å; E424-Y428 WeakPolarHBondContact O-CD2 3.4Å; E424-Y428 VanDerWaalsContact O-CG 3.23Å; E424-Y428 PolarHBondContact O-N 2.79Å; E424-Y428 VanDerWaalsContact O-N 3.07Å; E424-Y428 PolarHBondContact OE1-OH 3.49Å; Q425-Y428 PolarHBondContact O-N 3.29Å; E426-Y428 VanDerWaalsContact C-N 3.35Å; E426-Y428 PolarHBondContact O-N 3.34Å; Y428-G432 PolarHBondContact O-N 3.23Å; Y428-I433 HydrophobicContact CD1-CD1 3.46Å; Y428-I433 VanDerWaalsContact CD1-CD1 3.46Å; Y428-I433 HydrophobicContact CD1-CG1 4.36Å; Y428-I433 HydrophobicContact CE1-CD1 4.11Å; Y428-I433 HydrophobicContact CG-CD1 3.84Å; Y428-I433 HydrophobicContact CG-CG1 4.33Å; Y428-I433 PolarHBondContact O-N 3Å; Y428-W435 HydrophobicContact CD2-CB 4.12Å; Y428-W435 HydrophobicContact CD2-CD2 4.05Å; Y428-W435 HydrophobicContact CD2-CE3 4.06Å; Y428-W435 HydrophobicContact CD2-CG 4.06Å; Y428-W435 HydrophobicContact CG-CB 4.48Å; Y428-W435 HydrophobicContact CG-CG 4.29Å; Y428-G621 WeakPolarHBondContact OH-CA 3.46Å; Y428-Y622 HydrophobicContact CD1-CD2 4.47Å; Y428-Y622 AromaticContact CE1-CD2 3.85Å; Y428-Y622 HydrophobicContact CE1-CD2 3.85Å; Y428-Y622 HydrophobicContact CE2-CD2 4.36Å; Y428-Y622 AromaticContact CZ-CD2 3.79Å; Y428-Y622 PolarHBondContact OH-N 3.43Å; Y428-F676 HydrophobicContact CD1-CD1 4.27Å; Y428-F676 AromaticContact CD1-CE1 3.78Å; Y428-F676 HydrophobicContact CD1-CE1 3.78Å; Y428-F676 HydrophobicContact CD1-CZ 4.37Å; Y428-F676 AromaticContact CE1-CD1 3.89Å; Y428-F676 HydrophobicContact CE1-CD1 3.89Å; Y428-F676 AromaticContact CE1-CE1 3.66Å; Y428-F676 HydrophobicContact CE1-CE1 3.66Å
429	V	86.6	Confident	79.2	Confident	90 Å²	90	59.1 Å²	59.1	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-47	171.3	174.2	0	0	0	0	111.5	Q425 E426 E427 E431 G432 W435	Q425-V429 WeakPolarHBondContact O-CG2 3.42Å; Q425-V429 PolarHBondContact O-N 3.35Å; E426-V429 PolarHBondContact O-N 2.72Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 PolarHBondContact O-N 2.81Å; V429-E431 VanDerWaalsContact C-N 3.34Å; V429-E431 PolarHBondContact O-N 2.79Å; V429-G432 PolarHBondContact O-N 2.78Å; V429-W435 HydrophobicContact CG2-CZ2 3.61Å
430	Q	88.7	Confident	79	Confident	129 Å²	129	60.2 Å²	60.2	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-60.1	-42.9	178.9	-73.6	173.3	26.2	0	0	112	E426 E427 G432 K672	E426-Q430 WeakPolarHBondContact O-CB 3.37Å; E426-Q430 VanDerWaalsContact O-CG 3.26Å; E426-Q430 WeakPolarHBondContact O-CG 3.44Å; E426-Q430 PolarHBondContact O-N 3.06Å; E427-Q430 PolarHBondContact O-N 3.44Å; Q430-G432 VanDerWaalsContact C-N 3.34Å; Q430-K672 VanDerWaalsContact O-CD 3.32Å; Q430-K672 WeakPolarHBondContact O-CD 3.41Å; Q430-K672 VanDerWaalsContact O-CE 3.27Å; Q430-K672 WeakPolarHBondContact O-CE 3.32Å; Q430-K672 PolarHBondContact O-NZ 3.49Å
431	E	91	Very high	79	Confident	13 Å²	13	64 Å²	64	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-80	-12.4	179	-75.6	-79.6	159.1	0	0	113.5	E427 V429 I433 G671 K672 T673 K674 F676	E427-E431 HydrophobicContact CG-CG 4.31Å; E427-E431 WeakPolarHBondContact O-CB 3.45Å; E427-E431 PolarHBondContact O-N 2.99Å; V429-E431 VanDerWaalsContact C-N 3.34Å; V429-E431 PolarHBondContact O-N 2.79Å; E431-I433 HydrophobicContact CB-CG2 4.42Å; E431-I433 PolarHBondContact O-N 3.13Å; E431-G671 CarbonylContact O-C 3.58Å; E431-G671 VanDerWaalsContact O-CA 3.22Å; E431-G671 WeakPolarHBondContact O-CA 3.29Å; E431-G671 WeakPolarHBondContact OE2-CA 3.43Å; E431-K672 PolarHBondContact O-N 2.91Å; E431-K672 VanDerWaalsContact O-N 3.16Å; E431-K672 PolarHBondContact OE2-N 3.07Å; E431-T673 WeakPolarHBondContact OE1-CB 3.2Å; E431-T673 PolarHBondContact OE1-N 2.67Å; E431-T673 PolarHBondContact OE1-OG1 3.47Å; E431-T673 PolarHBondContact OE2-N 2.94Å; E431-K674 HydrophobicContact CG-CB 4.5Å; E431-K674 HydrophobicContact CG-CD 4.11Å; E431-K674 WeakPolarHBondContact OE1-CD 3.41Å; E431-K674 PolarHBondContact OE2-N 3.03Å; E431-F676 HydrophobicContact CB-CE2 3.85Å; E431-F676 HydrophobicContact CB-CZ 3.99Å; E431-F676 HydrophobicContact CG-CE2 3.97Å; E431-F676 HydrophobicContact CG-CZ 3.87Å
432	G	87.9	Confident	79.3	Confident	54 Å²	54	66.4 Å²	66.4	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	30.8	173.1	0	0	0	0	0	114.5	Y428 V429 Q430	Y428-G432 PolarHBondContact O-N 3.23Å; V429-G432 PolarHBondContact O-N 2.78Å; Q430-G432 VanDerWaalsContact C-N 3.34Å
433	I	88.6	Confident	79.8	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.072	34%	0.337	C	S	.	.			trans	-81.4	162.4	176.4	65.2	-178.3	0	0	0	111	Y428 E431 W435 Y622 Q669 F676	Y428-I433 HydrophobicContact CD1-CD1 3.46Å; Y428-I433 VanDerWaalsContact CD1-CD1 3.46Å; Y428-I433 HydrophobicContact CD1-CG1 4.36Å; Y428-I433 HydrophobicContact CE1-CD1 4.11Å; Y428-I433 HydrophobicContact CG-CD1 3.84Å; Y428-I433 HydrophobicContact CG-CG1 4.33Å; Y428-I433 PolarHBondContact O-N 3Å; E431-I433 HydrophobicContact CB-CG2 4.42Å; E431-I433 PolarHBondContact O-N 3.13Å; I433-W435 PolarHBondContact O-N 2.76Å; I433-Y622 HydrophobicContact CD1-CD2 3.86Å; I433-Y622 HydrophobicContact CD1-CE2 3.37Å; I433-Y622 HydrophobicContact CG1-CE2 4.32Å; I433-Q669 HydrophobicContact CB-CB 4.5Å; I433-Q669 HydrophobicContact CG2-CB 4.43Å; I433-F676 HydrophobicContact CD1-CB 4.44Å; I433-F676 HydrophobicContact CD1-CD1 3.9Å; I433-F676 HydrophobicContact CD1-CD2 3.89Å; I433-F676 HydrophobicContact CD1-CE1 4.08Å; I433-F676 HydrophobicContact CD1-CE2 4.05Å; I433-F676 HydrophobicContact CD1-CG 3.81Å; I433-F676 HydrophobicContact CD1-CZ 4.14Å; I433-F676 HydrophobicContact CG2-CD2 3.77Å; I433-F676 HydrophobicContact CG2-CE2 3.89Å
434	K	83.4	Confident	80.4	Confident	171 Å²	171	65.8 Å²	65.8	74%	0.743	34%	0.34	S	S	*	.			trans	-82	114.8	171	-61.5	-178.7	179.1	-176	0	108.8	Y622 Q669	K434-Y622 PolarHBondContact O-OH 3.22Å; K434-Q669 PolarHBondContact O-NE2 2.89Å
435	W	79.1	Confident	81.1	Confident	65 Å²	65	69.1 Å²	69.1	25%	0.246	36%	0.357	C	S	.	.			trans	-138	159.6	176.9	69.8	-75.2	0	0	0	109	Q425 Y428 V429 I433 P437	Q425-W435 HydrophobicContact CB-CH2 3.6Å; Q425-W435 HydrophobicContact CB-CZ2 4.31Å; Q425-W435 HydrophobicContact CB-CZ3 3.74Å; Q425-W435 HydrophobicContact CG-CE3 4.28Å; Q425-W435 HydrophobicContact CG-CH2 3.82Å; Q425-W435 HydrophobicContact CG-CZ3 3.44Å; Q425-W435 VanDerWaalsContact CG-CZ3 3.44Å; Q425-W435 VanDerWaalsContact OE1-CH2 3.3Å; Y428-W435 HydrophobicContact CD2-CB 4.12Å; Y428-W435 HydrophobicContact CD2-CD2 4.05Å; Y428-W435 HydrophobicContact CD2-CE3 4.06Å; Y428-W435 HydrophobicContact CD2-CG 4.06Å; Y428-W435 HydrophobicContact CG-CB 4.48Å; Y428-W435 HydrophobicContact CG-CG 4.29Å; V429-W435 HydrophobicContact CG2-CZ2 3.61Å; I433-W435 PolarHBondContact O-N 2.76Å; W435-P437 HydrophobicContact CH2-CG 4.41Å; W435-P437 VanDerWaalsContact CZ3-CA 3.48Å; W435-P437 HydrophobicContact CZ3-CB 4.45Å
436	T	74.8	Confident	81.8	Confident	112 Å²	112	67.7 Å²	67.7	69%	0.687	35%	0.35	S	S	*	.			trans	-103.2	130.4	176	-54.4	0	0	0	0	108.4	I438	T436-I438 WeakPolarHBondContact O-CG1 3.05Å; T436-I438 PolarHBondContact O-N 2.96Å
437	P	72.3	Confident	82.2	Confident	89 Å²	89	63.7 Å²	63.7	58%	0.578	33%	0.332	S	S	*	.			trans	-47.5	128.6	168.4	-30.4	37.8	0	0	0	111.5	W435	W435-P437 HydrophobicContact CH2-CG 4.41Å; W435-P437 VanDerWaalsContact CZ3-CA 3.48Å; W435-P437 HydrophobicContact CZ3-CB 4.45Å
438	I	71.3	Confident	82.6	Confident	17 Å²	17	65 Å²	65	9%	0.087	34%	0.34	C	S	.	.			trans	-109.4	107.3	179.2	-49.1	162.3	0	0	0	106.5	Q425 T436 Y440 V617 A620	Q425-I438 PolarHBondContact NE2-O 3.28Å; T436-I438 WeakPolarHBondContact O-CG1 3.05Å; T436-I438 PolarHBondContact O-N 2.96Å; I438-Y440 WeakPolarHBondContact O-CD1 3.46Å; I438-Y440 PolarHBondContact O-N 3.42Å; I438-V617 HydrophobicContact CD1-CG1 3.96Å; I438-V617 HydrophobicContact CG2-CG2 3.86Å; I438-A620 HydrophobicContact CD1-CB 3.54Å; I438-A620 HydrophobicContact CG1-CB 3.88Å
439	D	67.9	Low	83	Confident	144 Å²	144	65.3 Å²	65.3	77%	0.77	34%	0.342	S	S	*	.			trans	-62.2	129.6	176.5	-56	-51.8	0	0	0	110.2
440	Y	70.7	Confident	83.3	Confident	76 Å²	76	61 Å²	61	30%	0.298	32%	0.316	S	S	.	.			trans	-133.6	146.9	173.5	63	-92.8	0	0	0	109.3	I417 L421 I438	I417-Y440 HydrophobicContact CG2-CD2 3.44Å; I417-Y440 VanDerWaalsContact CG2-CD2 3.44Å; I417-Y440 HydrophobicContact CG2-CE2 3.36Å; I417-Y440 HydrophobicContact CG2-CG 4.48Å; L421-Y440 HydrophobicContact CD1-CG 4.22Å; I438-Y440 WeakPolarHBondContact O-CD1 3.46Å; I438-Y440 PolarHBondContact O-N 3.42Å
441	F	71	Confident	83.5	Confident	93 Å²	93	56 Å²	56	41%	0.408	29%	0.292	S	S	.	.			trans	-70.5	134.3	174.2	179.3	-103.3	0	0	0	110.1	N443 V446 H493	F441-N443 WeakPolarHBondContact CD1-OD1 3.36Å; F441-V446 HydrophobicContact CE1-CG2 4.18Å; F441-V446 HydrophobicContact CZ-CG2 4.05Å; F441-H493 AromaticContact CE2-CE1 3.51Å; F441-H493 AromaticContact CE2-NE2 3.5Å; F441-H493 AromaticContact CZ-CE1 3.2Å; F441-H493 WeakPolarHBondContact CZ-CE1 3.39Å; F441-H493 AromaticContact CZ-NE2 3.48Å; F441-H493 WeakPolarHBondContact CZ-NE2 3.11Å
442	N	78.8	Confident	83.4	Confident	62 Å²	62	56.6 Å²	56.6	33%	0.332	30%	0.298	S	S	.	.			trans	-102.3	93.3	-176.3	-173.2	5.9	0	0	0	110.4	Q414 K444 I445	Q414-N442 PolarHBondContact NE2-OD1 2.99Å; Q414-N442 PolarHBondContact OE1-OD1 3.33Å; N442-K444 PolarHBondContact O-N 3.2Å; N442-K444 WeakPolarHBondContact OD1-CB 3.07Å; N442-K444 PolarHBondContact OD1-N 3.48Å; N442-I445 PolarHBondContact O-N 2.88Å; N442-I445 VanDerWaalsContact O-N 3.13Å
443	N	84.3	Confident	83.3	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.027	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-14.9	-178.6	-62.4	36.4	0	0	0	114.4	E410 Q413 Q414 I417 F441 I445 V446 C447 Y506	E410-N443 WeakPolarHBondContact OE1-CB 3.23Å; E410-N443 PolarHBondContact OE1-ND2 3.13Å; Q413-N443 VanDerWaalsContact CG-ND2 3.34Å; Q413-N443 WeakPolarHBondContact CG-ND2 3.34Å; Q414-N443 HydrophobicContact CB-CB 4.21Å; Q414-N443 VanDerWaalsContact OE1-N 3.13Å; I417-N443 HydrophobicContact CD1-CB 4.31Å; I417-N443 WeakPolarHBondContact CD1-OD1 3.2Å; F441-N443 WeakPolarHBondContact CD1-OD1 3.36Å; N443-I445 PolarHBondContact O-N 3.19Å; N443-I445 VanDerWaalsContact O-N 3.14Å; N443-V446 PolarHBondContact O-N 3.11Å; N443-C447 PolarHBondContact O-N 3.4Å; N443-C447 PolarHBondContact O-SG 3.42Å; N443-Y506 WeakPolarHBondContact ND2-CB 3.41Å
444	K	86.8	Confident	83.1	Confident	96 Å²	96	66.6 Å²	66.6	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-51.3	-34.2	171.7	-161.2	-166	-177.3	-57.8	0	112.2	N442 V446 C447 D448	N442-K444 PolarHBondContact O-N 3.2Å; N442-K444 WeakPolarHBondContact OD1-CB 3.07Å; N442-K444 PolarHBondContact OD1-N 3.48Å; K444-V446 VanDerWaalsContact C-N 3.34Å; K444-V446 PolarHBondContact O-N 2.62Å; K444-C447 WeakPolarHBondContact O-CB 3.26Å; K444-C447 PolarHBondContact O-N 2.75Å; K444-D448 IonicContact NZ-OD1 3.34Å; K444-D448 PolarHBondContact NZ-OD1 3.39Å; K444-D448 IonicContact NZ-OD2 2.69Å; K444-D448 PolarHBondContact NZ-OD2 2.9Å; K444-D448 WeakPolarHBondContact O-CB 3.48Å; K444-D448 PolarHBondContact O-N 3.26Å
445	I	90.6	Very high	83.2	Confident	75 Å²	75	63.4 Å²	63.4	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-43.8	176.4	-63.4	170.7	0	0	0	111.1	N442 N443 L449	N442-I445 PolarHBondContact O-N 2.88Å; N442-I445 VanDerWaalsContact O-N 3.13Å; N443-I445 PolarHBondContact O-N 3.19Å; N443-I445 VanDerWaalsContact O-N 3.14Å; I445-L449 WeakPolarHBondContact O-CB 3.3Å; I445-L449 PolarHBondContact O-N 3.47Å
446	V	91.7	Very high	83.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-74.5	-33	177.5	-169.6	0	0	0	0	111.4	E410 F441 N443 K444 I450 H493 I503	E410-V446 HydrophobicContact CG-CB 3.99Å; E410-V446 HydrophobicContact CG-CG1 3.98Å; E410-V446 WeakPolarHBondContact OE2-CG1 3.06Å; F441-V446 HydrophobicContact CE1-CG2 4.18Å; F441-V446 HydrophobicContact CZ-CG2 4.05Å; N443-V446 PolarHBondContact O-N 3.11Å; K444-V446 VanDerWaalsContact C-N 3.34Å; K444-V446 PolarHBondContact O-N 2.62Å; V446-I450 HydrophobicContact CG1-CD1 4.33Å; V446-I450 WeakPolarHBondContact O-CG1 3.42Å; V446-I450 PolarHBondContact O-N 3.34Å; V446-H493 HydrophobicContact CG2-CB 4.25Å; V446-I503 HydrophobicContact CG1-CG2 3.87Å
447	C	91.4	Very high	84.5	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.02	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-49.4	171	-64.7	0	0	0	0	111.5	N443 K444 L449 I450 E451	N443-C447 PolarHBondContact O-N 3.4Å; N443-C447 PolarHBondContact O-SG 3.42Å; K444-C447 WeakPolarHBondContact O-CB 3.26Å; K444-C447 PolarHBondContact O-N 2.75Å; C447-L449 PolarHBondContact O-N 3.46Å; C447-I450 PolarHBondContact O-N 2.84Å; C447-I450 VanDerWaalsContact O-N 3.08Å; C447-E451 WeakPolarHBondContact O-CG 3.39Å; C447-E451 PolarHBondContact O-N 3.18Å
448	D	92.4	Very high	85.5	Confident	53 Å²	53	53.4 Å²	53.4	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-39.8	-177.9	-68.9	-12.9	0	0	0	111.3	K444 I450 E451 S452	K444-D448 IonicContact NZ-OD1 3.34Å; K444-D448 PolarHBondContact NZ-OD1 3.39Å; K444-D448 IonicContact NZ-OD2 2.69Å; K444-D448 PolarHBondContact NZ-OD2 2.9Å; K444-D448 WeakPolarHBondContact O-CB 3.48Å; K444-D448 PolarHBondContact O-N 3.26Å; D448-I450 PolarHBondContact O-N 2.87Å; D448-E451 PolarHBondContact O-N 2.92Å; D448-S452 WeakPolarHBondContact O-CA 3.39Å; D448-S452 WeakPolarHBondContact O-CB 3.06Å; D448-S452 PolarHBondContact O-N 2.91Å
449	L	93.7	Very high	86.5	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-51.8	-40.2	169.7	167.7	65.6	0	0	0	112.5	I445 C447 G457 I458 I488 H491 H493 F494 I503	I445-L449 WeakPolarHBondContact O-CB 3.3Å; I445-L449 PolarHBondContact O-N 3.47Å; C447-L449 PolarHBondContact O-N 3.46Å; L449-G457 CarbonylContact O-C 3.59Å; L449-G457 WeakPolarHBondContact O-CA 3.38Å; L449-I458 HydrophobicContact CD1-CD1 4.28Å; L449-I458 HydrophobicContact CD1-CG1 4.43Å; L449-I458 HydrophobicContact CG-CD1 4.15Å; L449-I458 PolarHBondContact O-N 3.48Å; L449-I488 HydrophobicContact CD1-CD1 4.4Å; L449-I488 HydrophobicContact CD1-CG2 3.35Å; L449-H491 HydrophobicContact CD1-CB 4.45Å; L449-H493 HydrophobicContact CD2-CB 3.96Å; L449-F494 HydrophobicContact CD1-CB 4.12Å; L449-F494 HydrophobicContact CD2-CB 4.25Å; L449-I503 HydrophobicContact CD2-CG2 4.15Å
450	I	93.6	Very high	87.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-83.8	-46.4	-177	-66.7	167.4	0	0	0	111.3	F403 F407 V446 C447 D448 I458 M459 I503	F403-I450 HydrophobicContact CE2-CG1 4.21Å; F403-I450 HydrophobicContact CE2-CG2 4.07Å; F403-I450 HydrophobicContact CZ-CG2 3.74Å; F407-I450 HydrophobicContact CB-CD1 4.26Å; F407-I450 HydrophobicContact CB-CG2 4.18Å; F407-I450 HydrophobicContact CD2-CB 3.84Å; F407-I450 HydrophobicContact CD2-CD1 4.02Å; F407-I450 HydrophobicContact CD2-CG2 3.36Å; F407-I450 HydrophobicContact CE2-CB 4.23Å; F407-I450 HydrophobicContact CE2-CG2 3.87Å; F407-I450 HydrophobicContact CG-CG2 3.83Å; V446-I450 HydrophobicContact CG1-CD1 4.33Å; V446-I450 WeakPolarHBondContact O-CG1 3.42Å; V446-I450 PolarHBondContact O-N 3.34Å; C447-I450 PolarHBondContact O-N 2.84Å; C447-I450 VanDerWaalsContact O-N 3.08Å; D448-I450 PolarHBondContact O-N 2.87Å; I450-I458 HydrophobicContact CG1-CD1 4.41Å; I450-I458 PolarHBondContact O-N 2.99Å; I450-M459 HydrophobicContact CG2-CE 3.82Å; I450-M459 HydrophobicContact CG2-CG 4.03Å; I450-M459 HydrophobicContact CG2-SD 4.09Å; I450-M459 WeakPolarHBondContact O-CB 3.19Å; I450-M459 WeakPolarHBondContact O-CG 3.33Å; I450-M459 PolarHBondContact O-N 3.19Å; I450-I503 HydrophobicContact CD1-CD1 4.21Å; I450-I503 HydrophobicContact CG1-CD1 4.12Å
451	E	92.4	Very high	88.5	Confident	24 Å²	24	44.2 Å²	44.2	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-115.7	-4.4	-167.2	71	145.1	-154.7	0	0	116.7	F407 K411 C447 D448 K565 N569	F407-E451 HydrophobicContact CE2-CB 3.87Å; F407-E451 HydrophobicContact CE2-CG 3.87Å; F407-E451 HydrophobicContact CZ-CB 3.86Å; F407-E451 HydrophobicContact CZ-CG 4.02Å; K411-E451 VanDerWaalsContact CE-CD 3.42Å; K411-E451 WeakPolarHBondContact CE-OE1 3.47Å; K411-E451 WeakPolarHBondContact CE-OE2 3.39Å; K411-E451 IonicContact NZ-OE1 2.68Å; K411-E451 PolarHBondContact NZ-OE1 3.21Å; K411-E451 IonicContact NZ-OE2 3.91Å; K411-E451 PolarHBondContact NZ-OE2 3.27Å; C447-E451 WeakPolarHBondContact O-CG 3.39Å; C447-E451 PolarHBondContact O-N 3.18Å; D448-E451 PolarHBondContact O-N 2.92Å; E451-K565 HydrophobicContact CB-CD 3.95Å; E451-K565 HydrophobicContact CB-CG 4.41Å; E451-K565 PolarHBondContact O-NZ 3.5Å; E451-K565 VanDerWaalsContact OE2-CE 3.28Å; E451-K565 WeakPolarHBondContact OE2-CE 3.44Å; E451-K565 WeakPolarHBondContact OE2-CG 3.45Å; E451-N569 PolarHBondContact OE2-ND2 3.23Å
452	S	89.6	Confident	89.4	Confident	25 Å²	25	39.8 Å²	39.8	18%	0.175	22%	0.22	C	C	.	.			trans	-63.6	148	-175.4	-171.9	0	0	0	0	112.6	D448 S454 P455 G457 C460	D448-S452 WeakPolarHBondContact O-CA 3.39Å; D448-S452 WeakPolarHBondContact O-CB 3.06Å; D448-S452 PolarHBondContact O-N 2.91Å; S452-S454 PolarHBondContact OG-N 3.37Å; S452-S454 PolarHBondContact OG-O 3.13Å; S452-P455 CarbonylContact C-O 3.49Å; S452-P455 VanDerWaalsContact CB-O 3.22Å; S452-P455 WeakPolarHBondContact CB-O 3.45Å; S452-P455 PolarHBondContact OG-O 3.42Å; S452-P455 VanDerWaalsContact OG-O 3.14Å; S452-G457 PolarHBondContact O-N 2.95Å; S452-C460 PolarHBondContact O-SG 3.32Å
453	K	85.9	Confident	89.7	Confident	173 Å²	173	38.3 Å²	38.3	75%	0.752	21%	0.213	S	C	*	.	B	Isolated β-bridge	trans	-91.9	-22.9	172.8	-69.2	-172.1	176.5	-175.2	0	112.8	P455	K453-P455 CarbonylContact C-O 3.55Å
454	S	83.7	Confident	89.8	Confident	106 Å²	106	41.4 Å²	41.4	74%	0.741	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-157.3	112.8	180	-171.5	0	0	0	0	109.1	S452	S452-S454 PolarHBondContact OG-N 3.37Å; S452-S454 PolarHBondContact OG-O 3.13Å
455	P	86.1	Confident	89.8	Confident	103 Å²	103	36.9 Å²	36.9	67%	0.669	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	cis	-56	156.5	-12.2	28	-36.3	0	0	0	111.9	S452 K453 G457	S452-P455 CarbonylContact C-O 3.49Å; S452-P455 VanDerWaalsContact CB-O 3.22Å; S452-P455 WeakPolarHBondContact CB-O 3.45Å; S452-P455 PolarHBondContact OG-O 3.42Å; S452-P455 VanDerWaalsContact OG-O 3.14Å; K453-P455 CarbonylContact C-O 3.55Å; P455-G457 PolarHBondContact O-N 3.06Å
456	P	88.7	Confident	89.3	Confident	55 Å²	55	33.5 Å²	33.5	36%	0.357	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-69.2	123.1	-177.8	28.5	-34.5	0	0	0	111.3	C460 I461	P456-C460 HydrophobicContact CB-CB 4.36Å; P456-I461 HydrophobicContact CB-CG1 4.35Å
457	G	92.3	Very high	88.6	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-82.3	173.3	173	0	0	0	0	0	113.2	L449 S452 P455 M459 C460 I461	L449-G457 CarbonylContact O-C 3.59Å; L449-G457 WeakPolarHBondContact O-CA 3.38Å; S452-G457 PolarHBondContact O-N 2.95Å; P455-G457 PolarHBondContact O-N 3.06Å; G457-M459 VanDerWaalsContact C-N 3.3Å; G457-M459 PolarHBondContact O-N 2.93Å; G457-C460 PolarHBondContact O-N 3.47Å; G457-I461 PolarHBondContact O-N 3.27Å; G457-I461 VanDerWaalsContact O-N 3.13Å
458	I	93.8	Very high	87.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-52	-44.6	-175.2	-61.9	169.6	0	0	0	112.1	F403 L449 I450 C460 I461 L462 M480 L484 I488 F494 F501 I503	F403-I458 HydrophobicContact CE2-CB 4.39Å; F403-I458 HydrophobicContact CE2-CD1 4.27Å; F403-I458 HydrophobicContact CE2-CG2 3.9Å; F403-I458 HydrophobicContact CZ-CB 4.1Å; F403-I458 HydrophobicContact CZ-CG2 3.6Å; L449-I458 HydrophobicContact CD1-CD1 4.28Å; L449-I458 HydrophobicContact CD1-CG1 4.43Å; L449-I458 HydrophobicContact CG-CD1 4.15Å; L449-I458 PolarHBondContact O-N 3.48Å; I450-I458 HydrophobicContact CG1-CD1 4.41Å; I450-I458 PolarHBondContact O-N 2.99Å; I458-C460 VanDerWaalsContact C-N 3.34Å; I458-C460 PolarHBondContact O-N 2.75Å; I458-I461 PolarHBondContact O-N 2.92Å; I458-L462 VanDerWaalsContact O-CB 3.31Å; I458-L462 WeakPolarHBondContact O-CB 3.31Å; I458-L462 PolarHBondContact O-N 2.87Å; I458-M480 HydrophobicContact CG2-CE 4.48Å; I458-L484 HydrophobicContact CB-CD2 4.3Å; I458-L484 HydrophobicContact CG1-CD2 4Å; I458-L484 HydrophobicContact CG2-CD2 4.19Å; I458-I488 HydrophobicContact CG1-CD1 3.9Å; I458-F494 HydrophobicContact CD1-CD2 3.97Å; I458-F494 HydrophobicContact CD1-CE2 4.06Å; I458-F501 HydrophobicContact CD1-CE2 4.46Å; I458-I503 HydrophobicContact CD1-CD1 3.63Å; I458-I503 HydrophobicContact CD1-CG1 4.22Å
459	M	91.4	Very high	86.6	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-34.9	178.7	-70.2	-176.7	171.4	0	0	112.9	F403 F407 I450 G457 D463 K565	F403-M459 HydrophobicContact CE1-CE 3.87Å; F403-M459 HydrophobicContact CE1-CG 4.05Å; F403-M459 HydrophobicContact CZ-CE 4.31Å; F403-M459 HydrophobicContact CZ-CG 4.1Å; F407-M459 HydrophobicContact CB-CE 4.4Å; F407-M459 HydrophobicContact CD1-CE 3.63Å; F407-M459 HydrophobicContact CE1-CE 4Å; F407-M459 HydrophobicContact CE1-SD 4.44Å; F407-M459 HydrophobicContact CG-CE 3.95Å; I450-M459 HydrophobicContact CG2-CE 3.82Å; I450-M459 HydrophobicContact CG2-CG 4.03Å; I450-M459 HydrophobicContact CG2-SD 4.09Å; I450-M459 WeakPolarHBondContact O-CB 3.19Å; I450-M459 WeakPolarHBondContact O-CG 3.33Å; I450-M459 PolarHBondContact O-N 3.19Å; G457-M459 VanDerWaalsContact C-N 3.3Å; G457-M459 PolarHBondContact O-N 2.93Å; M459-D463 WeakPolarHBondContact O-CB 3.44Å; M459-D463 PolarHBondContact O-N 3.02Å; M459-K565 HydrophobicContact SD-CB 4.22Å
460	C	90.2	Very high	84.7	Confident	37 Å²	37	45.3 Å²	45.3	25%	0.25	26%	0.257	C	S	.	.	H	α-helix	trans	-73.6	-35.1	178.5	-73.1	0	0	0	0	112.3	S452 P456 G457 I458 D464	S452-C460 PolarHBondContact O-SG 3.32Å; P456-C460 HydrophobicContact CB-CB 4.36Å; G457-C460 PolarHBondContact O-N 3.47Å; I458-C460 VanDerWaalsContact C-N 3.34Å; I458-C460 PolarHBondContact O-N 2.75Å; C460-D464 WeakPolarHBondContact O-CB 3.33Å; C460-D464 PolarHBondContact O-N 2.9Å
461	I	90.7	Very high	82.6	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-40.5	173.1	-67.4	170.4	0	0	0	110.6	P456 G457 I458 D464 V465 K483 L484 Q487 I488	P456-I461 HydrophobicContact CB-CG1 4.35Å; G457-I461 PolarHBondContact O-N 3.27Å; G457-I461 VanDerWaalsContact O-N 3.13Å; I458-I461 PolarHBondContact O-N 2.92Å; I461-D464 PolarHBondContact O-N 3.38Å; I461-V465 WeakPolarHBondContact O-CG2 3.19Å; I461-V465 PolarHBondContact O-N 3.24Å; I461-K483 HydrophobicContact CG2-CB 3.54Å; I461-K483 HydrophobicContact CG2-CD 4.29Å; I461-L484 HydrophobicContact CB-CD2 4.23Å; I461-L484 HydrophobicContact CD1-CD2 3.87Å; I461-L484 HydrophobicContact CG2-CD2 4.08Å; I461-L484 HydrophobicContact CG2-CG 4.4Å; I461-Q487 HydrophobicContact CD1-CB 3.9Å; I461-Q487 VanDerWaalsContact CD1-OE1 3.28Å; I461-I488 HydrophobicContact CD1-CD1 3.59Å; I461-I488 HydrophobicContact CD1-CG1 3.89Å
462	L	89.4	Confident	80.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-48.2	176.3	-177.4	61	0	0	0	111.7	F400 I458 D464 V465 C466 M480 F517 C518 N521	F400-L462 HydrophobicContact CD2-CD2 4.01Å; F400-L462 HydrophobicContact CE2-CD2 3.66Å; I458-L462 VanDerWaalsContact O-CB 3.31Å; I458-L462 WeakPolarHBondContact O-CB 3.31Å; I458-L462 PolarHBondContact O-N 2.87Å; L462-D464 VanDerWaalsContact C-N 3.31Å; L462-D464 PolarHBondContact O-N 3.37Å; L462-V465 PolarHBondContact O-N 3.14Å; L462-C466 WeakPolarHBondContact O-CB 3.45Å; L462-C466 PolarHBondContact O-N 3.35Å; L462-C466 PolarHBondContact O-SG 2.96Å; L462-M480 HydrophobicContact CD1-CE 3.95Å; L462-M480 HydrophobicContact CD1-CG 3.9Å; L462-F517 HydrophobicContact CD1-CB 4.25Å; L462-F517 HydrophobicContact CD1-CD1 4.46Å; L462-F517 HydrophobicContact CD2-CD1 3.99Å; L462-C518 HydrophobicContact CD1-CB 4.49Å; L462-N521 HydrophobicContact CD1-CB 4.24Å; L462-N521 HydrophobicContact CD2-CB 3.73Å; L462-N521 HydrophobicContact CG-CB 3.85Å
463	D	86	Confident	78.6	Confident	31 Å²	31	53.8 Å²	53.8	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-38.2	175.5	-79.4	-4.4	0	0	0	112.3	M459 A467 N521 T559 S562	M459-D463 WeakPolarHBondContact O-CB 3.44Å; M459-D463 PolarHBondContact O-N 3.02Å; D463-A467 WeakPolarHBondContact O-CB 3.36Å; D463-A467 PolarHBondContact O-N 2.83Å; D463-N521 PolarHBondContact OD1-ND2 2.87Å; D463-T559 WeakPolarHBondContact OD1-CB 3.49Å; D463-T559 VanDerWaalsContact OD1-CG2 3.31Å; D463-T559 WeakPolarHBondContact OD1-CG2 3.13Å; D463-T559 PolarHBondContact OD1-OG1 3.08Å; D463-T559 PolarHBondContact OD2-OG1 2.77Å; D463-T559 VanDerWaalsContact OD2-OG1 3.11Å; D463-S562 PolarHBondContact OD2-OG 2.92Å
464	D	86.3	Confident	77.2	Confident	70 Å²	70	53.8 Å²	53.8	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-49.3	176	-177.6	64.4	0	0	0	112.2	C460 I461 L462 C466 A467 T468 K483	C460-D464 WeakPolarHBondContact O-CB 3.33Å; C460-D464 PolarHBondContact O-N 2.9Å; I461-D464 PolarHBondContact O-N 3.38Å; L462-D464 VanDerWaalsContact C-N 3.31Å; L462-D464 PolarHBondContact O-N 3.37Å; D464-C466 VanDerWaalsContact C-N 3.33Å; D464-C466 PolarHBondContact O-N 3.37Å; D464-A467 CarbonylContact O-C 3.51Å; D464-A467 PolarHBondContact O-N 2.98Å; D464-A467 VanDerWaalsContact O-N 3.13Å; D464-T468 PolarHBondContact O-N 2.93Å; D464-T468 PolarHBondContact O-OG1 2.67Å; D464-K483 IonicContact OD2-NZ 3.58Å; D464-K483 PolarHBondContact OD2-NZ 3.35Å
465	V	86.8	Confident	76.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-42.4	176.4	175.4	0	0	0	0	111.7	I461 L462 A467 T468 M469 T479 M480 K483	I461-V465 WeakPolarHBondContact O-CG2 3.19Å; I461-V465 PolarHBondContact O-N 3.24Å; L462-V465 PolarHBondContact O-N 3.14Å; V465-A467 PolarHBondContact O-N 2.92Å; V465-T468 WeakPolarHBondContact CA-OG1 3.39Å; V465-T468 PolarHBondContact O-N 2.73Å; V465-T468 PolarHBondContact O-OG1 3.41Å; V465-M469 PolarHBondContact O-N 2.87Å; V465-T479 HydrophobicContact CG1-CG2 4.5Å; V465-T479 HydrophobicContact CG2-CG2 4.45Å; V465-M480 HydrophobicContact CB-CB 4.45Å; V465-M480 HydrophobicContact CG1-CB 4.29Å; V465-M480 HydrophobicContact CG2-CB 4.26Å; V465-K483 HydrophobicContact CG2-CD 3.62Å; V465-K483 HydrophobicContact CG2-CG 4.47Å
466	C	80	Confident	76.4	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-36.3	176.4	-71.2	0	0	0	0	112.3	L462 D464 C518 N521 R522	L462-C466 WeakPolarHBondContact O-CB 3.45Å; L462-C466 PolarHBondContact O-N 3.35Å; L462-C466 PolarHBondContact O-SG 2.96Å; D464-C466 VanDerWaalsContact C-N 3.33Å; D464-C466 PolarHBondContact O-N 3.37Å; C466-C518 PolarHBondContact SG-O 3.07Å; C466-C518 VanDerWaalsContact SG-O 3.37Å; C466-N521 PolarHBondContact SG-ND2 3.43Å; C466-N521 VanDerWaalsContact SG-ND2 3.4Å; C466-R522 HydrophobicContact CB-CG 4.09Å; C466-R522 PolarHBondContact O-NE 3.34Å; C466-R522 PolarHBondContact O-NH2 3.27Å
467	A	75.7	Confident	76.3	Confident	33 Å²	33	44.4 Å²	44.4	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-90	-17	-179.9	0	0	0	0	0	114.8	D463 D464 V465 H470	D463-A467 WeakPolarHBondContact O-CB 3.36Å; D463-A467 PolarHBondContact O-N 2.83Å; D464-A467 CarbonylContact O-C 3.51Å; D464-A467 PolarHBondContact O-N 2.98Å; D464-A467 VanDerWaalsContact O-N 3.13Å; V465-A467 PolarHBondContact O-N 2.92Å; A467-H470 PolarHBondContact O-CD2 2.95Å; A467-H470 PolarHBondContact O-NE2 3.12Å; A467-H470 VanDerWaalsContact O-NE2 3.13Å
468	T	74.6	Confident	76.1	Confident	83 Å²	83	50.2 Å²	50.2	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-87.6	-36	173.1	53.2	0	0	0	0	113.2	D464 V465 H470	D464-T468 PolarHBondContact O-N 2.93Å; D464-T468 PolarHBondContact O-OG1 2.67Å; V465-T468 WeakPolarHBondContact CA-OG1 3.39Å; V465-T468 PolarHBondContact O-N 2.73Å; V465-T468 PolarHBondContact O-OG1 3.41Å; T468-H470 PolarHBondContact O-N 2.9Å
469	M	68.1	Low	75.8	Confident	48 Å²	48	52 Å²	52	24%	0.236	31%	0.312	C	S	.	.			trans	-100.2	55.5	-172.6	-66.9	-160.5	68.4	0	0	113.1	V465 A471 A476 T479 R522	V465-M469 PolarHBondContact O-N 2.87Å; M469-A471 VanDerWaalsContact C-N 3.26Å; M469-A471 PolarHBondContact O-N 3.49Å; M469-A476 HydrophobicContact SD-CB 4.35Å; M469-T479 HydrophobicContact SD-CG2 4.21Å; M469-R522 PolarHBondContact O-NH2 3.44Å
470	H	54.3	Low	75.8	Confident	150 Å²	150	51.9 Å²	51.9	69%	0.694	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.8	-173.6	-82.5	-59.5	0	0	0	115.9	A467 T468	A467-H470 PolarHBondContact O-CD2 2.95Å; A467-H470 PolarHBondContact O-NE2 3.12Å; A467-H470 VanDerWaalsContact O-NE2 3.13Å; T468-H470 PolarHBondContact O-N 2.9Å
471	A	47.8	Very low	75.8	Confident	92 Å²	92	50.5 Å²	50.5	76%	0.76	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-5.4	-165.6	0	0	0	0	0	116.1	M469	M469-A471 VanDerWaalsContact C-N 3.26Å; M469-A471 PolarHBondContact O-N 3.49Å
472	V	48.3	Very low	75.8	Confident	78 Å²	78	55.4 Å²	55.4	47%	0.473	32%	0.324	S	S	.	.			trans	-136.1	129	-177.8	-168.2	0	0	0	0	109.2	E474	V472-E474 HydrophobicContact CG1-CB 4.18Å
473	G	49.8	Very low	75.9	Confident	57 Å²	57	57.6 Å²	57.6	59%	0.588	33%	0.333	S	S	*	.			trans	-79.9	-46.6	173.8	0	0	0	0	0	111.8	G475 A476	G473-G475 PolarHBondContact O-N 3.39Å; G473-A476 PolarHBondContact O-N 3.44Å
474	E	56.9	Low	76.2	Confident	173 Å²	173	56.1 Å²	56.1	81%	0.808	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.7	177.1	-59.7	-171.9	134.6	0	0	112	V472 A476	V472-E474 HydrophobicContact CG1-CB 4.18Å; E474-A476 VanDerWaalsContact C-N 3.32Å; E474-A476 PolarHBondContact O-N 3Å
475	G	71.9	Confident	76.3	Confident	33 Å²	33	57.3 Å²	57.3	34%	0.34	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-3.2	175.1	0	0	0	0	0	116.6	G473 Q478 T479	G473-G475 PolarHBondContact O-N 3.39Å; G475-Q478 PolarHBondContact O-N 3.24Å; G475-T479 WeakPolarHBondContact O-CB 3.12Å; G475-T479 PolarHBondContact O-N 3.11Å; G475-T479 PolarHBondContact O-OG1 3.26Å
476	A	81.4	Confident	76.4	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-52.5	178.9	0	0	0	0	0	112.4	M469 G473 E474 Q478 T479 M480 C518	M469-A476 HydrophobicContact SD-CB 4.35Å; G473-A476 PolarHBondContact O-N 3.44Å; E474-A476 VanDerWaalsContact C-N 3.32Å; E474-A476 PolarHBondContact O-N 3Å; A476-Q478 VanDerWaalsContact C-N 3.26Å; A476-Q478 PolarHBondContact O-N 3.36Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 2.98Å; A476-M480 PolarHBondContact O-N 3.34Å; A476-C518 HydrophobicContact CB-CB 4.27Å
477	D	86.8	Confident	76.7	Confident	31 Å²	31	70 Å²	70	17%	0.166	39%	0.385	C	S	.	.	H	α-helix	trans	-64.9	-30.5	176.4	-67.5	-47.7	0	0	0	112.5	M480 L481 A514 G516 F517 C518	D477-M480 WeakPolarHBondContact O-CB 3.35Å; D477-M480 PolarHBondContact O-N 3.4Å; D477-L481 WeakPolarHBondContact O-CG 3.41Å; D477-L481 PolarHBondContact O-N 3.01Å; D477-A514 HydrophobicContact CB-CB 4.42Å; D477-A514 WeakPolarHBondContact CB-O 3.36Å; D477-G516 WeakPolarHBondContact OD2-CA 3.19Å; D477-G516 PolarHBondContact OD2-N 3.4Å; D477-F517 PolarHBondContact OD1-N 3.46Å; D477-F517 VanDerWaalsContact OD1-N 3.15Å; D477-C518 VanDerWaalsContact OD1-CB 3.31Å; D477-C518 WeakPolarHBondContact OD1-CB 3.25Å; D477-C518 PolarHBondContact OD1-N 2.96Å; D477-C518 PolarHBondContact OD1-SG 3.09Å; D477-C518 VanDerWaalsContact OD1-SG 3.38Å
478	Q	87.3	Confident	77.3	Confident	123 Å²	123	68.9 Å²	68.9	58%	0.575	38%	0.375	S	S	*	.	H	α-helix	trans	-71	-34.8	176.5	-143.6	170.8	40.1	0	0	111.5	G475 A476 L481 Q482	G475-Q478 PolarHBondContact O-N 3.24Å; A476-Q478 VanDerWaalsContact C-N 3.26Å; A476-Q478 PolarHBondContact O-N 3.36Å; Q478-L481 PolarHBondContact O-N 3.19Å; Q478-Q482 WeakPolarHBondContact O-CG 3.44Å; Q478-Q482 PolarHBondContact O-N 3.37Å
479	T	88.5	Confident	77.8	Confident	39 Å²	39	68.2 Å²	68.2	24%	0.239	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-36.1	172.1	-62.2	0	0	0	0	111.4	V465 M469 G475 A476 Q482 K483	V465-T479 HydrophobicContact CG1-CG2 4.5Å; V465-T479 HydrophobicContact CG2-CG2 4.45Å; M469-T479 HydrophobicContact SD-CG2 4.21Å; G475-T479 WeakPolarHBondContact O-CB 3.12Å; G475-T479 PolarHBondContact O-N 3.11Å; G475-T479 PolarHBondContact O-OG1 3.26Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 2.98Å; T479-Q482 PolarHBondContact O-N 2.94Å; T479-K483 PolarHBondContact O-N 3.23Å
480	M	90.9	Very high	78.7	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-60.2	-48.8	169.9	179	-80.2	-156.8	0	0	111	I458 L462 V465 A476 D477 Q482 K483 L484 F501 F517	I458-M480 HydrophobicContact CG2-CE 4.48Å; L462-M480 HydrophobicContact CD1-CE 3.95Å; L462-M480 HydrophobicContact CD1-CG 3.9Å; V465-M480 HydrophobicContact CB-CB 4.45Å; V465-M480 HydrophobicContact CG1-CB 4.29Å; V465-M480 HydrophobicContact CG2-CB 4.26Å; A476-M480 PolarHBondContact O-N 3.34Å; D477-M480 WeakPolarHBondContact O-CB 3.35Å; D477-M480 PolarHBondContact O-N 3.4Å; M480-Q482 VanDerWaalsContact C-N 3.32Å; M480-Q482 PolarHBondContact O-N 3.26Å; M480-K483 PolarHBondContact O-N 2.62Å; M480-L484 HydrophobicContact CE-CD1 3.72Å; M480-L484 WeakPolarHBondContact O-CG 3.23Å; M480-L484 PolarHBondContact O-N 3.29Å; M480-L484 HydrophobicContact SD-CD1 3.44Å; M480-L484 WeakPolarHBondContact SD-CD1 3.45Å; M480-L484 HydrophobicContact SD-CG 4Å; M480-F501 HydrophobicContact CE-CE1 3.89Å; M480-F517 HydrophobicContact CE-CB 4.44Å; M480-F517 HydrophobicContact CE-CD1 3.81Å; M480-F517 HydrophobicContact CE-CE1 4.45Å; M480-F517 HydrophobicContact CE-CG 4.37Å
481	L	91.1	Very high	80.4	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-38.6	173.4	-72.2	177.1	0	0	0	113.1	D477 Q478 R485 G500 F501 A514	D477-L481 WeakPolarHBondContact O-CG 3.41Å; D477-L481 PolarHBondContact O-N 3.01Å; Q478-L481 PolarHBondContact O-N 3.19Å; L481-R485 WeakPolarHBondContact O-CB 3.47Å; L481-R485 WeakPolarHBondContact O-CD 3.47Å; L481-R485 VanDerWaalsContact O-CG 3.24Å; L481-R485 WeakPolarHBondContact O-CG 3.49Å; L481-R485 PolarHBondContact O-N 3.03Å; L481-G500 WeakPolarHBondContact CD2-O 3.36Å; L481-F501 HydrophobicContact CD2-CD1 4.13Å; L481-A514 HydrophobicContact CD1-CB 3.84Å; L481-A514 HydrophobicContact CD2-CB 3.93Å; L481-A514 HydrophobicContact CG-CB 3.84Å
482	Q	89.8	Confident	82.5	Confident	107 Å²	107	71.7 Å²	71.7	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-45	174.9	-74.1	174.7	14.3	0	0	112.3	Q478 T479 M480 R485 M486	Q478-Q482 WeakPolarHBondContact O-CG 3.44Å; Q478-Q482 PolarHBondContact O-N 3.37Å; T479-Q482 PolarHBondContact O-N 2.94Å; M480-Q482 VanDerWaalsContact C-N 3.32Å; M480-Q482 PolarHBondContact O-N 3.26Å; Q482-R485 WeakPolarHBondContact O-CB 3.43Å; Q482-R485 PolarHBondContact O-N 2.92Å; Q482-M486 WeakPolarHBondContact O-CG 3.45Å; Q482-M486 PolarHBondContact O-N 3.49Å
483	K	91.3	Very high	84.5	Confident	45 Å²	45	69 Å²	69	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-41.4	175.4	-71.8	-170.7	-170.5	170.6	0	111.9	I461 D464 V465 T479 M480 R485 M486 Q487	I461-K483 HydrophobicContact CG2-CB 3.54Å; I461-K483 HydrophobicContact CG2-CD 4.29Å; D464-K483 IonicContact OD2-NZ 3.58Å; D464-K483 PolarHBondContact OD2-NZ 3.35Å; V465-K483 HydrophobicContact CG2-CD 3.62Å; V465-K483 HydrophobicContact CG2-CG 4.47Å; T479-K483 PolarHBondContact O-N 3.23Å; M480-K483 PolarHBondContact O-N 2.62Å; K483-R485 VanDerWaalsContact C-N 3.34Å; K483-R485 PolarHBondContact O-N 2.89Å; K483-M486 PolarHBondContact O-N 3.3Å; K483-Q487 WeakPolarHBondContact O-CB 3.43Å; K483-Q487 WeakPolarHBondContact O-CG 3.36Å; K483-Q487 PolarHBondContact O-N 2.8Å
484	L	91.8	Very high	86.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-44	173	-70.3	-176.3	0	0	0	111.9	I458 I461 M480 M486 Q487 I488 N489 F494 F501	I458-L484 HydrophobicContact CB-CD2 4.3Å; I458-L484 HydrophobicContact CG1-CD2 4Å; I458-L484 HydrophobicContact CG2-CD2 4.19Å; I461-L484 HydrophobicContact CB-CD2 4.23Å; I461-L484 HydrophobicContact CD1-CD2 3.87Å; I461-L484 HydrophobicContact CG2-CD2 4.08Å; I461-L484 HydrophobicContact CG2-CG 4.4Å; M480-L484 HydrophobicContact CE-CD1 3.72Å; M480-L484 WeakPolarHBondContact O-CG 3.23Å; M480-L484 PolarHBondContact O-N 3.29Å; M480-L484 HydrophobicContact SD-CD1 3.44Å; M480-L484 WeakPolarHBondContact SD-CD1 3.45Å; M480-L484 HydrophobicContact SD-CG 4Å; L484-M486 VanDerWaalsContact C-N 3.32Å; L484-M486 PolarHBondContact O-N 3.46Å; L484-Q487 PolarHBondContact O-N 3.03Å; L484-I488 HydrophobicContact CD2-CD1 3.95Å; L484-I488 PolarHBondContact O-N 3.15Å; L484-N489 PolarHBondContact O-N 2.69Å; L484-F494 HydrophobicContact CB-CE1 4.47Å; L484-F494 HydrophobicContact CB-CZ 3.88Å; L484-F494 HydrophobicContact CD1-CE2 4.19Å; L484-F494 HydrophobicContact CD1-CZ 3.99Å; L484-F494 HydrophobicContact CG-CZ 4.42Å; L484-F501 HydrophobicContact CD1-CD1 3.99Å; L484-F501 HydrophobicContact CD1-CE1 4.38Å; L484-F501 HydrophobicContact CD1-CG 4.32Å
485	R	89.1	Confident	88.3	Confident	96 Å²	96	61.7 Å²	61.7	36%	0.362	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-42.3	174.8	-80	166.4	179.4	-157.1	2.5	112.7	L481 Q482 K483 N489 S496 W497 N498	L481-R485 WeakPolarHBondContact O-CB 3.47Å; L481-R485 WeakPolarHBondContact O-CD 3.47Å; L481-R485 VanDerWaalsContact O-CG 3.24Å; L481-R485 WeakPolarHBondContact O-CG 3.49Å; L481-R485 PolarHBondContact O-N 3.03Å; Q482-R485 WeakPolarHBondContact O-CB 3.43Å; Q482-R485 PolarHBondContact O-N 2.92Å; K483-R485 VanDerWaalsContact C-N 3.34Å; K483-R485 PolarHBondContact O-N 2.89Å; R485-N489 WeakPolarHBondContact O-CB 3.42Å; R485-S496 WeakPolarHBondContact CG-OG 3.48Å; R485-W497 PolarHBondContact NH2-O 3.29Å; R485-N498 PolarHBondContact NH2-OD1 3.08Å
486	M	88.1	Confident	89.1	Confident	166 Å²	166	61.6 Å²	61.6	82%	0.818	31%	0.308	S	S	*	.	H	α-helix	trans	-76.7	-31.9	-178.3	-68.5	177.3	72.5	0	0	113.9	Q482 K483 L484	Q482-M486 WeakPolarHBondContact O-CG 3.45Å; Q482-M486 PolarHBondContact O-N 3.49Å; K483-M486 PolarHBondContact O-N 3.3Å; L484-M486 VanDerWaalsContact C-N 3.32Å; L484-M486 PolarHBondContact O-N 3.46Å
487	Q	86.7	Confident	89.4	Confident	104 Å²	104	67.2 Å²	67.2	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-107.4	-24.8	-169.6	-62.1	-175.6	7.9	0	0	114.7	I461 K483 L484	I461-Q487 HydrophobicContact CD1-CB 3.9Å; I461-Q487 VanDerWaalsContact CD1-OE1 3.28Å; K483-Q487 WeakPolarHBondContact O-CB 3.43Å; K483-Q487 WeakPolarHBondContact O-CG 3.36Å; K483-Q487 PolarHBondContact O-N 2.8Å; L484-Q487 PolarHBondContact O-N 3.03Å
488	I	88.4	Confident	89.1	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.051	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-16.4	-168.8	-64.3	-170.6	0	0	0	113.5	L449 I458 I461 L484 T490 H491 F494	L449-I488 HydrophobicContact CD1-CD1 4.4Å; L449-I488 HydrophobicContact CD1-CG2 3.35Å; I458-I488 HydrophobicContact CG1-CD1 3.9Å; I461-I488 HydrophobicContact CD1-CD1 3.59Å; I461-I488 HydrophobicContact CD1-CG1 3.89Å; L484-I488 HydrophobicContact CD2-CD1 3.95Å; L484-I488 PolarHBondContact O-N 3.15Å; I488-T490 PolarHBondContact O-N 3.37Å; I488-H491 HydrophobicContact CG2-CB 4.33Å; I488-H491 VanDerWaalsContact O-CB 3.23Å; I488-H491 WeakPolarHBondContact O-CB 3.38Å; I488-H491 PolarHBondContact O-N 3.08Å; I488-F494 HydrophobicContact CB-CD1 4.45Å; I488-F494 HydrophobicContact CG2-CB 3.88Å; I488-F494 HydrophobicContact CG2-CD1 3.74Å; I488-F494 HydrophobicContact CG2-CD2 3.94Å; I488-F494 HydrophobicContact CG2-CE1 4.24Å; I488-F494 HydrophobicContact CG2-CE2 4.41Å; I488-F494 HydrophobicContact CG2-CG 3.57Å
489	N	85.6	Confident	89	Confident	69 Å²	69	73 Å²	73	37%	0.369	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	3.4	-171.6	-153.4	99.6	0	0	0	116.3	L484 R485 S496	L484-N489 PolarHBondContact O-N 2.69Å; R485-N489 WeakPolarHBondContact O-CB 3.42Å; N489-S496 PolarHBondContact OD1-OG 2.95Å
490	T	86.8	Confident	89.2	Confident	144 Å²	144	71.2 Å²	71.2	88%	0.883	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.6	168.5	52.3	0	0	0	0	113.3	I488	I488-T490 PolarHBondContact O-N 3.37Å
491	H	91	Very high	89.4	Confident	59 Å²	59	71.2 Å²	71.2	27%	0.273	35%	0.347	S	S	.	.	S	Bend	trans	-83.8	125.4	-176.1	-171.2	-90	0	0	0	112	L449 I488 H493 F494	L449-H491 HydrophobicContact CD1-CB 4.45Å; I488-H491 HydrophobicContact CG2-CB 4.33Å; I488-H491 VanDerWaalsContact O-CB 3.23Å; I488-H491 WeakPolarHBondContact O-CB 3.38Å; I488-H491 PolarHBondContact O-N 3.08Å; H491-H493 PolarHBondContact ND1-N 2.98Å; H491-H493 PolarHBondContact O-N 3.39Å; H491-F494 HydrophobicContact CB-CB 4.4Å; H491-F494 PolarHBondContact O-N 2.98Å
492	E	90.1	Very high	89.5	Confident	160 Å²	160	72.7 Å²	72.7	75%	0.748	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-34	-173.9	-176.8	177.4	178.8	0	0	114.7	H504	E492-H504 PolarHBondContact O-CE1 3.48Å; E492-H504 PolarHBondContact O-ND1 3.34Å
493	H	91.1	Very high	89.8	Confident	22 Å²	22	67.6 Å²	67.6	10%	0.102	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.8	180	-67.3	-95.7	0	0	0	115	F441 V446 L449 H491 I503 H504	F441-H493 AromaticContact CE2-CE1 3.51Å; F441-H493 AromaticContact CE2-NE2 3.5Å; F441-H493 AromaticContact CZ-CE1 3.2Å; F441-H493 WeakPolarHBondContact CZ-CE1 3.39Å; F441-H493 AromaticContact CZ-NE2 3.48Å; F441-H493 WeakPolarHBondContact CZ-NE2 3.11Å; V446-H493 HydrophobicContact CG2-CB 4.25Å; L449-H493 HydrophobicContact CD2-CB 3.96Å; H491-H493 PolarHBondContact ND1-N 2.98Å; H491-H493 PolarHBondContact O-N 3.39Å; H493-I503 CarbonylContact O-C 3.56Å; H493-I503 WeakPolarHBondContact O-CA 3.48Å; H493-H504 HydrophobicContact CB-CB 4.13Å; H493-H504 PolarHBondContact ND1-O 2.91Å; H493-H504 PolarHBondContact O-N 3.38Å
494	F	94.9	Very high	89.7	Confident	4 Å²	4	67 Å²	67	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.4	-177.6	-178.1	-89.5	0	0	0	112.2	L449 I458 L484 I488 H491 F501 I502	L449-F494 HydrophobicContact CD1-CB 4.12Å; L449-F494 HydrophobicContact CD2-CB 4.25Å; I458-F494 HydrophobicContact CD1-CD2 3.97Å; I458-F494 HydrophobicContact CD1-CE2 4.06Å; L484-F494 HydrophobicContact CB-CE1 4.47Å; L484-F494 HydrophobicContact CB-CZ 3.88Å; L484-F494 HydrophobicContact CD1-CE2 4.19Å; L484-F494 HydrophobicContact CD1-CZ 3.99Å; L484-F494 HydrophobicContact CG-CZ 4.42Å; I488-F494 HydrophobicContact CB-CD1 4.45Å; I488-F494 HydrophobicContact CG2-CB 3.88Å; I488-F494 HydrophobicContact CG2-CD1 3.74Å; I488-F494 HydrophobicContact CG2-CD2 3.94Å; I488-F494 HydrophobicContact CG2-CE1 4.24Å; I488-F494 HydrophobicContact CG2-CE2 4.41Å; I488-F494 HydrophobicContact CG2-CG 3.57Å; H491-F494 HydrophobicContact CB-CB 4.4Å; H491-F494 PolarHBondContact O-N 2.98Å; F494-F501 HydrophobicContact CD2-CD2 4.47Å; F494-F501 HydrophobicContact CE2-CB 3.61Å; F494-F501 AromaticContact CE2-CD2 3.78Å; F494-F501 HydrophobicContact CE2-CD2 3.78Å; F494-F501 AromaticContact CE2-CG 3.86Å; F494-F501 HydrophobicContact CE2-CG 3.86Å; F494-F501 HydrophobicContact CZ-CB 3.65Å; F494-F501 HydrophobicContact CZ-CG 4.28Å; F494-I502 WeakPolarHBondContact CA-O 3.33Å
495	N	92.6	Very high	89.5	Confident	72 Å²	72	67.5 Å²	67.5	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.2	167	-73.5	-88.3	0	0	0	109.5	F501 I502 H504	N495-F501 CarbonylContact O-C 3.57Å; N495-F501 WeakPolarHBondContact O-CA 3.23Å; N495-I502 HydrophobicContact CB-CB 4.31Å; N495-I502 PolarHBondContact N-O 2.79Å; N495-I502 PolarHBondContact O-N 2.77Å; N495-H504 PolarHBondContact ND2-CE1 2.96Å; N495-H504 PolarHBondContact ND2-NE2 3.23Å
496	S	88.6	Confident	89.1	Confident	32 Å²	32	65 Å²	65	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.7	175.9	70.7	0	0	0	0	112.7	R485 N489	R485-S496 WeakPolarHBondContact CG-OG 3.48Å; N489-S496 PolarHBondContact OD1-OG 2.95Å
497	W	86.6	Confident	88.5	Confident	120 Å²	120	57.4 Å²	57.4	46%	0.455	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	-170.6	171.6	65.8	19.1	0	0	0	109.9	R485 Q499 G500 I502	R485-W497 PolarHBondContact NH2-O 3.29Å; W497-Q499 PolarHBondContact NE1-O 2.95Å; W497-Q499 PolarHBondContact O-N 3.47Å; W497-G500 PolarHBondContact N-O 2.9Å; W497-I502 HydrophobicContact CE3-CD1 4.2Å; W497-I502 HydrophobicContact CZ3-CD1 4.18Å
498	N	81.4	Confident	88.2	Confident	128 Å²	128	54 Å²	54	68%	0.684	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.2	-171.2	-73.4	-14.4	0	0	0	115.3	R485	R485-N498 PolarHBondContact NH2-OD1 3.08Å
499	Q	84.8	Confident	88.2	Confident	149 Å²	149	60.3 Å²	60.3	70%	0.696	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	32.1	-177	-64.5	171.8	-51.1	0	0	111.8	W497 D513 A514	W497-Q499 PolarHBondContact NE1-O 2.95Å; W497-Q499 PolarHBondContact O-N 3.47Å; Q499-D513 WeakPolarHBondContact O-CA 2.95Å; Q499-A514 PolarHBondContact O-N 3.02Å
500	G	92.3	Very high	88.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144	-164.7	-169.9	0	0	0	0	0	116.1	L481 W497 Y512	L481-G500 WeakPolarHBondContact CD2-O 3.36Å; W497-G500 PolarHBondContact N-O 2.9Å; G500-Y512 VanDerWaalsContact CA-O 3.23Å; G500-Y512 WeakPolarHBondContact CA-O 3.2Å
501	F	94.8	Very high	88.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.5	-175.5	60	-87.5	0	0	0	112	F403 I458 M480 L481 L484 F494 N495 I503 Y512 F517	F403-F501 HydrophobicContact CD2-CE2 4.19Å; F403-F501 HydrophobicContact CD2-CZ 4.25Å; F403-F501 HydrophobicContact CE2-CE2 4.36Å; F403-F501 HydrophobicContact CE2-CZ 4.47Å; I458-F501 HydrophobicContact CD1-CE2 4.46Å; M480-F501 HydrophobicContact CE-CE1 3.89Å; L481-F501 HydrophobicContact CD2-CD1 4.13Å; L484-F501 HydrophobicContact CD1-CD1 3.99Å; L484-F501 HydrophobicContact CD1-CE1 4.38Å; L484-F501 HydrophobicContact CD1-CG 4.32Å; F494-F501 HydrophobicContact CD2-CD2 4.47Å; F494-F501 HydrophobicContact CE2-CB 3.61Å; F494-F501 AromaticContact CE2-CD2 3.78Å; F494-F501 HydrophobicContact CE2-CD2 3.78Å; F494-F501 AromaticContact CE2-CG 3.86Å; F494-F501 HydrophobicContact CE2-CG 3.86Å; F494-F501 HydrophobicContact CZ-CB 3.65Å; F494-F501 HydrophobicContact CZ-CG 4.28Å; N495-F501 CarbonylContact O-C 3.57Å; N495-F501 WeakPolarHBondContact O-CA 3.23Å; F501-I503 HydrophobicContact CD2-CD1 4.39Å; F501-I503 HydrophobicContact CD2-CG1 4.04Å; F501-I503 HydrophobicContact CE2-CD1 3.95Å; F501-I503 HydrophobicContact CE2-CG1 4.1Å; F501-Y512 AromaticContact CD2-CD2 3.99Å; F501-Y512 HydrophobicContact CD2-CD2 3.99Å; F501-Y512 AromaticContact CE2-CD2 3.5Å; F501-Y512 HydrophobicContact CE2-CD2 3.5Å; F501-Y512 VanDerWaalsContact CE2-CD2 3.5Å; F501-Y512 HydrophobicContact CE2-CE2 4.35Å; F501-Y512 AromaticContact CE2-CG 3.97Å; F501-Y512 HydrophobicContact CE2-CG 3.97Å; F501-Y512 HydrophobicContact CZ-CD2 4.15Å; F501-Y512 HydrophobicContact CZ-CG 4.16Å; F501-Y512 PolarHBondContact N-O 3.41Å; F501-Y512 PolarHBondContact O-N 2.97Å; F501-F517 HydrophobicContact CE1-CD1 4.4Å; F501-F517 AromaticContact CE1-CE1 3.96Å; F501-F517 HydrophobicContact CE1-CE1 3.96Å; F501-F517 HydrophobicContact CE1-CE2 4.45Å; F501-F517 AromaticContact CE1-CZ 3.97Å; F501-F517 HydrophobicContact CE1-CZ 3.97Å; F501-F517 HydrophobicContact CZ-CD1 4.49Å; F501-F517 AromaticContact CZ-CE1 3.66Å; F501-F517 HydrophobicContact CZ-CE1 3.66Å; F501-F517 AromaticContact CZ-CZ 3.67Å; F501-F517 HydrophobicContact CZ-CZ 3.67Å
502	I	94.4	Very high	88.8	Confident	39 Å²	39	49.3 Å²	49.3	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	-178.6	-55.1	177.6	0	0	0	108.4	F494 N495 W497 K509 V510	F494-I502 WeakPolarHBondContact CA-O 3.33Å; N495-I502 HydrophobicContact CB-CB 4.31Å; N495-I502 PolarHBondContact N-O 2.79Å; N495-I502 PolarHBondContact O-N 2.77Å; W497-I502 HydrophobicContact CE3-CD1 4.2Å; W497-I502 HydrophobicContact CZ3-CD1 4.18Å; I502-K509 HydrophobicContact CG2-CB 4.21Å; I502-V510 VanDerWaalsContact CA-O 3.29Å; I502-V510 WeakPolarHBondContact CA-O 3.36Å
503	I	94.6	Very high	88.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.2	170.4	-56.4	179.7	0	0	0	109.4	F403 V446 L449 I450 I458 H493 F501 H505 K509 V510 Y512	F403-I503 HydrophobicContact CD2-CD1 4Å; F403-I503 HydrophobicContact CE2-CD1 3.84Å; V446-I503 HydrophobicContact CG1-CG2 3.87Å; L449-I503 HydrophobicContact CD2-CG2 4.15Å; I450-I503 HydrophobicContact CD1-CD1 4.21Å; I450-I503 HydrophobicContact CG1-CD1 4.12Å; I458-I503 HydrophobicContact CD1-CD1 3.63Å; I458-I503 HydrophobicContact CD1-CG1 4.22Å; H493-I503 CarbonylContact O-C 3.56Å; H493-I503 WeakPolarHBondContact O-CA 3.48Å; F501-I503 HydrophobicContact CD2-CD1 4.39Å; F501-I503 HydrophobicContact CD2-CG1 4.04Å; F501-I503 HydrophobicContact CE2-CD1 3.95Å; F501-I503 HydrophobicContact CE2-CG1 4.1Å; I503-H505 PolarHBondContact O-N 3Å; I503-K509 WeakPolarHBondContact O-CA 3.34Å; I503-V510 PolarHBondContact N-O 3.06Å; I503-V510 PolarHBondContact O-N 2.91Å; I503-Y512 HydrophobicContact CB-CE2 4.17Å; I503-Y512 HydrophobicContact CD1-CD2 4.43Å; I503-Y512 HydrophobicContact CD1-CE2 3.96Å; I503-Y512 HydrophobicContact CG1-CD2 4.34Å; I503-Y512 HydrophobicContact CG1-CE2 4.03Å
504	H	91.1	Very high	88.8	Confident	32 Å²	32	42.7 Å²	42.7	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	85.5	169.1	-55.5	157.5	0	0	0	109.2	E492 H493 N495 K509	E492-H504 PolarHBondContact O-CE1 3.48Å; E492-H504 PolarHBondContact O-ND1 3.34Å; H493-H504 HydrophobicContact CB-CB 4.13Å; H493-H504 PolarHBondContact ND1-O 2.91Å; H493-H504 PolarHBondContact O-N 3.38Å; N495-H504 PolarHBondContact ND2-CE1 2.96Å; N495-H504 PolarHBondContact ND2-NE2 3.23Å; H504-K509 VanDerWaalsContact CD2-CD 3.49Å; H504-K509 WeakPolarHBondContact CD2-CD 3.28Å; H504-K509 PolarHBondContact CE1-NZ 2.94Å; H504-K509 VanDerWaalsContact NE2-CE 3.34Å; H504-K509 WeakPolarHBondContact NE2-CE 3.49Å; H504-K509 PolarHBondContact NE2-NZ 3.32Å
505	H	87.6	Confident	88.3	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	167	175.7	-70.9	-81.5	0	0	0	111.8	F392 E410 I503 A507 G508 Y512	F392-H505 HydrophobicContact CE2-CB 3.94Å; F392-H505 AromaticContact CE2-CG 3.99Å; F392-H505 HydrophobicContact CZ-CB 3.57Å; F392-H505 AromaticContact CZ-CD2 3.83Å; F392-H505 AromaticContact CZ-CG 3.59Å; E410-H505 WeakPolarHBondContact OE2-CA 3.18Å; E410-H505 WeakPolarHBondContact OE2-CB 3.39Å; E410-H505 IonicContact OE2-CE1 3.2Å; E410-H505 IonicContact OE2-CG 3.43Å; E410-H505 IonicContact OE2-ND1 2.74Å; E410-H505 PolarHBondContact OE2-ND1 3.01Å; I503-H505 PolarHBondContact O-N 3Å; H505-A507 PolarHBondContact O-N 2.99Å; H505-A507 VanDerWaalsContact O-N 3.15Å; H505-G508 WeakPolarHBondContact CB-O 3.2Å; H505-G508 PolarHBondContact N-O 2.77Å; H505-G508 PolarHBondContact O-N 3.07Å; H505-Y512 AromaticContact NE2-CE2 3.71Å; H505-Y512 AromaticContact NE2-CZ 3.7Å; H505-Y512 PolarHBondContact NE2-OH 3.28Å
506	Y	79.5	Confident	87.7	Confident	43 Å²	43	43.8 Å²	43.8	17%	0.169	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	170.7	80.8	-81.4	0	0	0	113.6	F392 N409 E410 Q413 N443 G508 Y608	F392-Y506 AromaticContact CD2-CE1 3.65Å; F392-Y506 HydrophobicContact CD2-CE1 3.65Å; F392-Y506 HydrophobicContact CE2-CD1 4.33Å; F392-Y506 AromaticContact CE2-CE1 3.84Å; F392-Y506 HydrophobicContact CE2-CE1 3.84Å; N409-Y506 HydrophobicContact CB-CE1 4.33Å; E410-Y506 VanDerWaalsContact OE1-CD1 3.25Å; E410-Y506 WeakPolarHBondContact OE1-CD1 3.21Å; E410-Y506 PolarHBondContact OE2-N 3.28Å; Q413-Y506 HydrophobicContact CB-CD1 4.29Å; Q413-Y506 HydrophobicContact CB-CD2 4.37Å; Q413-Y506 HydrophobicContact CB-CE1 4.11Å; Q413-Y506 HydrophobicContact CB-CE2 4.18Å; Q413-Y506 HydrophobicContact CB-CG 4.41Å; Q413-Y506 HydrophobicContact CG-CD1 4.38Å; Q413-Y506 HydrophobicContact CG-CD2 3.72Å; Q413-Y506 HydrophobicContact CG-CE1 4.49Å; Q413-Y506 HydrophobicContact CG-CE2 3.84Å; Q413-Y506 HydrophobicContact CG-CG 3.99Å; N443-Y506 WeakPolarHBondContact ND2-CB 3.41Å; Y506-G508 VanDerWaalsContact C-N 3.33Å; Y506-Y608 WeakPolarHBondContact CD2-O 3.44Å; Y506-Y608 WeakPolarHBondContact CE2-O 3.42Å
507	A	74.9	Confident	87.6	Confident	6 Å²	6	42.2 Å²	42.2	5%	0.05	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7	179.4	0	0	0	0	0	114.1	F392 H505 Y608	F392-A507 HydrophobicContact CD1-CB 3.55Å; F392-A507 HydrophobicContact CD2-CB 3.77Å; F392-A507 HydrophobicContact CE1-CB 3.57Å; F392-A507 HydrophobicContact CE2-CB 3.8Å; F392-A507 HydrophobicContact CG-CB 3.67Å; F392-A507 HydrophobicContact CZ-CB 3.71Å; H505-A507 PolarHBondContact O-N 2.99Å; H505-A507 VanDerWaalsContact O-N 3.15Å; A507-Y608 HydrophobicContact CB-CD2 4.46Å; A507-Y608 HydrophobicContact CB-CG 4.35Å
508	G	81.8	Confident	87.5	Confident	32 Å²	32	36.6 Å²	36.6	33%	0.33	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	111.3	-167.7	-178.3	0	0	0	0	0	113.8	H505 Y506	H505-G508 WeakPolarHBondContact CB-O 3.2Å; H505-G508 PolarHBondContact N-O 2.77Å; H505-G508 PolarHBondContact O-N 3.07Å; Y506-G508 VanDerWaalsContact C-N 3.33Å
509	K	87.9	Confident	87.2	Confident	144 Å²	144	33.6 Å²	33.6	63%	0.626	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	124	-176.2	-53.4	-163	174.7	-154.2	0	110.4	I502 I503 H504	I502-K509 HydrophobicContact CG2-CB 4.21Å; I503-K509 WeakPolarHBondContact O-CA 3.34Å; H504-K509 VanDerWaalsContact CD2-CD 3.49Å; H504-K509 WeakPolarHBondContact CD2-CD 3.28Å; H504-K509 PolarHBondContact CE1-NZ 2.94Å; H504-K509 VanDerWaalsContact NE2-CE 3.34Å; H504-K509 WeakPolarHBondContact NE2-CE 3.49Å; H504-K509 PolarHBondContact NE2-NZ 3.32Å
510	V	89.9	Confident	86.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.3	177.4	-172.3	0	0	0	0	109.8	F392 I394 N398 I502 I503 Y512	F392-V510 HydrophobicContact CE1-CG2 3.67Å; F392-V510 HydrophobicContact CZ-CG2 3.92Å; I394-V510 HydrophobicContact CD1-CG2 4.04Å; I394-V510 HydrophobicContact CG1-CG2 3.96Å; N398-V510 HydrophobicContact CB-CG1 4.33Å; I502-V510 VanDerWaalsContact CA-O 3.29Å; I502-V510 WeakPolarHBondContact CA-O 3.36Å; I503-V510 PolarHBondContact N-O 3.06Å; I503-V510 PolarHBondContact O-N 2.91Å; V510-Y512 HydrophobicContact CB-CE2 3.91Å; V510-Y512 HydrophobicContact CG1-CD1 4.3Å; V510-Y512 HydrophobicContact CG1-CD2 4.42Å; V510-Y512 HydrophobicContact CG1-CE1 3.68Å; V510-Y512 HydrophobicContact CG1-CE2 3.86Å; V510-Y512 VanDerWaalsContact CG1-CZ 3.44Å
511	S	92.9	Very high	86.4	Confident	40 Å²	40	30.6 Å²	30.6	28%	0.28	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.8	172.5	53.7	0	0	0	0	110.7	N398	N398-S511 WeakPolarHBondContact CB-O 3.44Å; N398-S511 PolarHBondContact ND2-O 2.94Å
512	Y	93.9	Very high	85.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.9	175	-58.2	-78.2	0	0	0	109.8	N398 Q402 F403 N406 G500 F501 I503 H505 V510	N398-Y512 HydrophobicContact CB-CD1 3.65Å; N398-Y512 HydrophobicContact CB-CE1 4.02Å; N398-Y512 WeakPolarHBondContact O-CA 3.16Å; Q402-Y512 HydrophobicContact CB-CE1 4.2Å; F403-Y512 VanDerWaalsContact CA-CE1 3.42Å; F403-Y512 HydrophobicContact CB-CD1 3.79Å; F403-Y512 HydrophobicContact CB-CE1 3.69Å; F403-Y512 HydrophobicContact CB-CG 4.38Å; F403-Y512 HydrophobicContact CD2-CE2 4.42Å; N406-Y512 WeakPolarHBondContact CB-OH 3.5Å; N406-Y512 PolarHBondContact ND2-OH 3.07Å; G500-Y512 VanDerWaalsContact CA-O 3.23Å; G500-Y512 WeakPolarHBondContact CA-O 3.2Å; F501-Y512 AromaticContact CD2-CD2 3.99Å; F501-Y512 HydrophobicContact CD2-CD2 3.99Å; F501-Y512 AromaticContact CE2-CD2 3.5Å; F501-Y512 HydrophobicContact CE2-CD2 3.5Å; F501-Y512 VanDerWaalsContact CE2-CD2 3.5Å; F501-Y512 HydrophobicContact CE2-CE2 4.35Å; F501-Y512 AromaticContact CE2-CG 3.97Å; F501-Y512 HydrophobicContact CE2-CG 3.97Å; F501-Y512 HydrophobicContact CZ-CD2 4.15Å; F501-Y512 HydrophobicContact CZ-CG 4.16Å; F501-Y512 PolarHBondContact N-O 3.41Å; F501-Y512 PolarHBondContact O-N 2.97Å; I503-Y512 HydrophobicContact CB-CE2 4.17Å; I503-Y512 HydrophobicContact CD1-CD2 4.43Å; I503-Y512 HydrophobicContact CD1-CE2 3.96Å; I503-Y512 HydrophobicContact CG1-CD2 4.34Å; I503-Y512 HydrophobicContact CG1-CE2 4.03Å; H505-Y512 AromaticContact NE2-CE2 3.71Å; H505-Y512 AromaticContact NE2-CZ 3.7Å; H505-Y512 PolarHBondContact NE2-OH 3.28Å; V510-Y512 HydrophobicContact CB-CE2 3.91Å; V510-Y512 HydrophobicContact CG1-CD1 4.3Å; V510-Y512 HydrophobicContact CG1-CD2 4.42Å; V510-Y512 HydrophobicContact CG1-CE1 3.68Å; V510-Y512 HydrophobicContact CG1-CE2 3.86Å; V510-Y512 VanDerWaalsContact CG1-CZ 3.44Å
513	D	91.3	Very high	84.1	Confident	39 Å²	39	33.8 Å²	33.8	21%	0.209	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.8	168.5	-171.7	-14.8	0	0	0	108.4	K397 N398 Q499 D515 F517	K397-D513 WeakPolarHBondContact CE-OD2 3.32Å; K397-D513 HydrophobicContact CG-CB 4.33Å; K397-D513 IonicContact NZ-OD2 2.66Å; K397-D513 PolarHBondContact NZ-OD2 3.43Å; N398-D513 PolarHBondContact O-N 3.38Å; Q499-D513 WeakPolarHBondContact O-CA 2.95Å; D513-D515 VanDerWaalsContact C-N 3.28Å; D513-D515 WeakPolarHBondContact OD1-CB 3.26Å; D513-D515 PolarHBondContact OD1-N 2.88Å; D513-F517 WeakPolarHBondContact O-CD2 3.43Å; D513-F517 WeakPolarHBondContact O-CE2 3.39Å
514	A	89.2	Confident	82.6	Confident	3 Å²	3	36 Å²	36	3%	0.025	18%	0.184	C	C	.	.			trans	-78.7	-10.2	178.7	0	0	0	0	0	113.6	D477 L481 Q499 G516 F517	D477-A514 HydrophobicContact CB-CB 4.42Å; D477-A514 WeakPolarHBondContact CB-O 3.36Å; L481-A514 HydrophobicContact CD1-CB 3.84Å; L481-A514 HydrophobicContact CD2-CB 3.93Å; L481-A514 HydrophobicContact CG-CB 3.84Å; Q499-A514 PolarHBondContact O-N 3.02Å; A514-G516 PolarHBondContact O-N 3.24Å; A514-F517 WeakPolarHBondContact O-CB 3.37Å; A514-F517 PolarHBondContact O-N 3.25Å
515	D	85.4	Confident	81.6	Confident	89 Å²	89	36.2 Å²	36.2	48%	0.476	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	102.8	175.7	179	39.8	0	0	0	113.3	K397 D513 R520	K397-D515 IonicContact NZ-OD2 2.63Å; K397-D515 PolarHBondContact NZ-OD2 2.75Å; D513-D515 VanDerWaalsContact C-N 3.28Å; D513-D515 WeakPolarHBondContact OD1-CB 3.26Å; D513-D515 PolarHBondContact OD1-N 2.88Å; D515-R520 PolarHBondContact O-NH2 3.35Å
516	G	79.4	Confident	81.1	Confident	10 Å²	10	38.7 Å²	38.7	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	13.7	-179.9	0	0	0	0	0	115.4	D477 A514 C518 E519 R520	D477-G516 WeakPolarHBondContact OD2-CA 3.19Å; D477-G516 PolarHBondContact OD2-N 3.4Å; A514-G516 PolarHBondContact O-N 3.24Å; G516-C518 PolarHBondContact O-N 2.87Å; G516-E519 PolarHBondContact O-N 3.19Å; G516-R520 WeakPolarHBondContact O-CB 3.23Å; G516-R520 VanDerWaalsContact O-CG 3.24Å; G516-R520 WeakPolarHBondContact O-CG 3.37Å; G516-R520 PolarHBondContact O-N 2.9Å
517	F	86.3	Confident	81.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-45.6	-179.7	-111	-110.9	0	0	0	112.5	F400 F403 L462 D477 M480 F501 D513 A514 N521	F400-F517 HydrophobicContact CB-CD1 4.26Å; F400-F517 HydrophobicContact CB-CD2 4.1Å; F400-F517 HydrophobicContact CB-CE1 4.26Å; F400-F517 HydrophobicContact CB-CE2 4.12Å; F400-F517 HydrophobicContact CB-CG 4.19Å; F400-F517 HydrophobicContact CB-CZ 4.2Å; F400-F517 AromaticContact CD2-CD1 3.77Å; F400-F517 HydrophobicContact CD2-CD1 3.77Å; F400-F517 AromaticContact CD2-CE1 3.87Å; F400-F517 HydrophobicContact CD2-CE1 3.87Å; F400-F517 HydrophobicContact CD2-CG 4.4Å; F400-F517 VanDerWaalsContact N-CE2 3.27Å; F403-F517 HydrophobicContact CB-CE1 4.13Å; F403-F517 HydrophobicContact CB-CZ 3.77Å; F403-F517 AromaticContact CD1-CE1 3.85Å; F403-F517 HydrophobicContact CD1-CE1 3.85Å; F403-F517 HydrophobicContact CD1-CZ 4.37Å; F403-F517 HydrophobicContact CE1-CE1 4.38Å; F403-F517 AromaticContact CG-CE1 3.96Å; F403-F517 HydrophobicContact CG-CE1 3.96Å; F403-F517 HydrophobicContact CG-CZ 4.09Å; L462-F517 HydrophobicContact CD1-CB 4.25Å; L462-F517 HydrophobicContact CD1-CD1 4.46Å; L462-F517 HydrophobicContact CD2-CD1 3.99Å; D477-F517 PolarHBondContact OD1-N 3.46Å; D477-F517 VanDerWaalsContact OD1-N 3.15Å; M480-F517 HydrophobicContact CE-CB 4.44Å; M480-F517 HydrophobicContact CE-CD1 3.81Å; M480-F517 HydrophobicContact CE-CE1 4.45Å; M480-F517 HydrophobicContact CE-CG 4.37Å; F501-F517 HydrophobicContact CE1-CD1 4.4Å; F501-F517 AromaticContact CE1-CE1 3.96Å; F501-F517 HydrophobicContact CE1-CE1 3.96Å; F501-F517 HydrophobicContact CE1-CE2 4.45Å; F501-F517 AromaticContact CE1-CZ 3.97Å; F501-F517 HydrophobicContact CE1-CZ 3.97Å; F501-F517 HydrophobicContact CZ-CD1 4.49Å; F501-F517 AromaticContact CZ-CE1 3.66Å; F501-F517 HydrophobicContact CZ-CE1 3.66Å; F501-F517 AromaticContact CZ-CZ 3.67Å; F501-F517 HydrophobicContact CZ-CZ 3.67Å; D513-F517 WeakPolarHBondContact O-CD2 3.43Å; D513-F517 WeakPolarHBondContact O-CE2 3.39Å; A514-F517 WeakPolarHBondContact O-CB 3.37Å; A514-F517 PolarHBondContact O-N 3.25Å; F517-N521 WeakPolarHBondContact O-CB 3.29Å; F517-N521 PolarHBondContact O-N 2.94Å
518	C	84	Confident	81.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-34.7	179	-73.6	0	0	0	0	112.4	L462 C466 A476 D477 G516 R522	L462-C518 HydrophobicContact CD1-CB 4.49Å; C466-C518 PolarHBondContact SG-O 3.07Å; C466-C518 VanDerWaalsContact SG-O 3.37Å; A476-C518 HydrophobicContact CB-CB 4.27Å; D477-C518 VanDerWaalsContact OD1-CB 3.31Å; D477-C518 WeakPolarHBondContact OD1-CB 3.25Å; D477-C518 PolarHBondContact OD1-N 2.96Å; D477-C518 PolarHBondContact OD1-SG 3.09Å; D477-C518 VanDerWaalsContact OD1-SG 3.38Å; G516-C518 PolarHBondContact O-N 2.87Å; C518-R522 WeakPolarHBondContact O-CD 3.46Å; C518-R522 VanDerWaalsContact O-CG 3.27Å; C518-R522 WeakPolarHBondContact O-CG 3.16Å; C518-R522 PolarHBondContact O-N 3.04Å
519	E	75.6	Confident	81.7	Confident	66 Å²	66	38.3 Å²	38.3	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-67	-52.9	175.4	-171.8	-116.6	124.9	0	0	110.6	Y350 G516 N521 R522	Y350-E519 HydrophobicContact CE1-CG 4.29Å; Y350-E519 WeakPolarHBondContact CE1-OE2 3.47Å; G516-E519 PolarHBondContact O-N 3.19Å; E519-N521 VanDerWaalsContact C-N 3.33Å; E519-N521 PolarHBondContact O-N 2.98Å; E519-R522 WeakPolarHBondContact O-CB 3.28Å; E519-R522 PolarHBondContact O-N 3.25Å; E519-R522 VanDerWaalsContact O-N 3.12Å
520	R	77.8	Confident	81.7	Confident	85 Å²	85	32 Å²	32	32%	0.321	17%	0.165	S	C	.	.	H	α-helix	trans	-63.8	-35.5	178.3	-63.6	174.2	-153.4	-156.9	8.3	112.9	F400 E401 D515 G516 R522	F400-R520 HydrophobicContact CB-CB 4.04Å; F400-R520 HydrophobicContact CD1-CB 3.75Å; F400-R520 HydrophobicContact CG-CB 4.06Å; E401-R520 IonicContact OE1-NH1 3.82Å; E401-R520 PolarHBondContact OE1-NH1 3.39Å; E401-R520 WeakPolarHBondContact OE2-CD 3.27Å; E401-R520 IonicContact OE2-CZ 2.91Å; E401-R520 IonicContact OE2-NH1 3.53Å; E401-R520 PolarHBondContact OE2-NH1 2.96Å; D515-R520 PolarHBondContact O-NH2 3.35Å; G516-R520 WeakPolarHBondContact O-CB 3.23Å; G516-R520 VanDerWaalsContact O-CG 3.24Å; G516-R520 WeakPolarHBondContact O-CG 3.37Å; G516-R520 PolarHBondContact O-N 2.9Å; R520-R522 VanDerWaalsContact C-N 3.28Å; R520-R522 PolarHBondContact O-N 3.46Å
521	N	82.1	Confident	81.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-26.8	176.7	-174.3	59.9	0	0	0	113	F400 L462 D463 C466 F517 E519 T559 A560 G561	F400-N521 HydrophobicContact CD2-CB 4.38Å; F400-N521 HydrophobicContact CE2-CB 3.79Å; F400-N521 HydrophobicContact CZ-CB 3.88Å; F400-N521 WeakPolarHBondContact CZ-OD1 3.36Å; L462-N521 HydrophobicContact CD1-CB 4.24Å; L462-N521 HydrophobicContact CD2-CB 3.73Å; L462-N521 HydrophobicContact CG-CB 3.85Å; D463-N521 PolarHBondContact OD1-ND2 2.87Å; C466-N521 PolarHBondContact SG-ND2 3.43Å; C466-N521 VanDerWaalsContact SG-ND2 3.4Å; F517-N521 WeakPolarHBondContact O-CB 3.29Å; F517-N521 PolarHBondContact O-N 2.94Å; E519-N521 VanDerWaalsContact C-N 3.33Å; E519-N521 PolarHBondContact O-N 2.98Å; N521-T559 CarbonylContact O-C 3.49Å; N521-T559 WeakPolarHBondContact O-CA 3.48Å; N521-T559 WeakPolarHBondContact O-CB 3.41Å; N521-A560 PolarHBondContact O-N 2.87Å; N521-G561 VanDerWaalsContact OD1-CA 3.32Å; N521-G561 WeakPolarHBondContact OD1-CA 3.37Å; N521-G561 PolarHBondContact OD1-N 3.21Å
522	R	75.3	Confident	81.5	Confident	60 Å²	60	34.2 Å²	34.2	23%	0.226	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-52.4	177.4	-78.4	160.6	171.6	164.7	-1.9	110.9	C466 M469 C518 E519 R520 V524	C466-R522 HydrophobicContact CB-CG 4.09Å; C466-R522 PolarHBondContact O-NE 3.34Å; C466-R522 PolarHBondContact O-NH2 3.27Å; M469-R522 PolarHBondContact O-NH2 3.44Å; C518-R522 WeakPolarHBondContact O-CD 3.46Å; C518-R522 VanDerWaalsContact O-CG 3.27Å; C518-R522 WeakPolarHBondContact O-CG 3.16Å; C518-R522 PolarHBondContact O-N 3.04Å; E519-R522 WeakPolarHBondContact O-CB 3.28Å; E519-R522 PolarHBondContact O-N 3.25Å; E519-R522 VanDerWaalsContact O-N 3.12Å; R520-R522 VanDerWaalsContact C-N 3.28Å; R520-R522 PolarHBondContact O-N 3.46Å; R522-V524 HydrophobicContact CB-CG2 4.18Å; R522-V524 WeakPolarHBondContact O-CG2 3.4Å; R522-V524 PolarHBondContact O-N 2.99Å
523	D	66	Low	81.6	Confident	47 Å²	47	34.2 Å²	34.2	25%	0.251	17%	0.171	S	C	.	.			trans	43.9	40.2	-178.9	-177.1	61.4	0	0	0	112.2	K196 A560 K563	K196-D523 IonicContact NZ-OD1 3.98Å; K196-D523 PolarHBondContact NZ-OD1 3.44Å; K196-D523 IonicContact NZ-OD2 3.69Å; K196-D523 PolarHBondContact NZ-OD2 2.86Å; D523-A560 HydrophobicContact CB-CB 3.81Å; D523-K563 PolarHBondContact O-NZ 2.86Å; D523-K563 IonicContact OD2-NZ 3.75Å; D523-K563 PolarHBondContact OD2-NZ 2.81Å
524	V	62.9	Low	81.6	Confident	45 Å²	45	35.4 Å²	35.4	27%	0.273	18%	0.175	S	C	.	.			trans	-91.2	107.3	-178	178.2	0	0	0	0	108.4	R522 F526 P557	R522-V524 HydrophobicContact CB-CG2 4.18Å; R522-V524 WeakPolarHBondContact O-CG2 3.4Å; R522-V524 PolarHBondContact O-N 2.99Å; V524-F526 HydrophobicContact CB-CE1 4.48Å; V524-F526 HydrophobicContact CG1-CD1 3.92Å; V524-F526 HydrophobicContact CG1-CE1 3.94Å; V524-F526 HydrophobicContact CG1-CG 4.44Å; V524-F526 HydrophobicContact CG1-CZ 4.47Å; V524-F526 PolarHBondContact O-N 2.83Å; V524-P557 HydrophobicContact CG2-CB 4.08Å
525	L	70.9	Confident	81.9	Confident	38 Å²	38	37.2 Å²	37.2	20%	0.199	19%	0.188	C	C	.	.			trans	-70.3	117.4	154.3	-175.3	67	0	0	0	107.1	A358 L529 I530 F545	A358-L525 HydrophobicContact CB-CD1 3.82Å; A358-L525 HydrophobicContact CB-CD2 3.92Å; A358-L525 HydrophobicContact CB-CG 4.4Å; L525-L529 HydrophobicContact CD1-CB 3.66Å; L525-L529 HydrophobicContact CD1-CD1 3.71Å; L525-L529 HydrophobicContact CD1-CG 4.36Å; L525-L529 HydrophobicContact CG-CB 4.28Å; L525-I530 HydrophobicContact CD2-CD1 4.22Å; L525-I530 HydrophobicContact CD2-CG1 3.59Å; L525-I530 HydrophobicContact CG-CG1 3.97Å; L525-F545 HydrophobicContact CD2-CD1 4.2Å; L525-F545 HydrophobicContact CD2-CE1 3.77Å
526	F	76.1	Confident	82.4	Confident	64 Å²	64	33.1 Å²	33.1	28%	0.281	17%	0.166	S	C	.	.			trans	-70.2	148.8	179.4	-61.7	-76.1	0	0	0	110.8	V524 D528 L529 I530	V524-F526 HydrophobicContact CB-CE1 4.48Å; V524-F526 HydrophobicContact CG1-CD1 3.92Å; V524-F526 HydrophobicContact CG1-CE1 3.94Å; V524-F526 HydrophobicContact CG1-CG 4.44Å; V524-F526 HydrophobicContact CG1-CZ 4.47Å; V524-F526 PolarHBondContact O-N 2.83Å; F526-D528 PolarHBondContact O-N 3.4Å; F526-L529 WeakPolarHBondContact O-CB 3.25Å; F526-L529 PolarHBondContact O-N 3.09Å; F526-I530 PolarHBondContact O-N 3.29Å
527	T	79.1	Confident	83.2	Confident	67 Å²	67	40.5 Å²	40.5	41%	0.411	20%	0.198	S	C	.	.	H	α-helix	trans	-59.1	-35.2	-178.4	48.9	0	0	0	0	112.2	L529 I530 E531 L549	T527-L529 PolarHBondContact O-N 3.09Å; T527-I530 WeakPolarHBondContact O-CA 3.43Å; T527-I530 WeakPolarHBondContact O-CB 3.49Å; T527-I530 PolarHBondContact O-N 3.46Å; T527-E531 WeakPolarHBondContact O-CG 3.31Å; T527-E531 PolarHBondContact O-N 2.96Å; T527-L549 HydrophobicContact CG2-CD2 3.83Å
528	D	82.2	Confident	83.6	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-52.2	-37.3	171.7	-74.8	-76.9	0	0	0	113.8	K322 R326 K327 F526 L532	K322-D528 HydrophobicContact CD-CB 4.06Å; K322-D528 WeakPolarHBondContact CE-OD1 3.39Å; K322-D528 IonicContact NZ-OD1 3.24Å; K322-D528 PolarHBondContact NZ-OD1 3.19Å; R326-D528 WeakPolarHBondContact CG-OD2 3.07Å; K327-D528 PolarHBondContact N-OD2 3.28Å; F526-D528 PolarHBondContact O-N 3.4Å; D528-L532 WeakPolarHBondContact O-CB 3.16Å; D528-L532 PolarHBondContact O-N 2.81Å
529	L	87.4	Confident	84.1	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-79.3	-28.9	178.8	-66	176.8	0	0	0	112.2	T351 A354 L355 L525 F526 T527 L532 M533	T351-L529 HydrophobicContact CG2-CD1 3.87Å; T351-L529 HydrophobicContact CG2-CD2 4.03Å; T351-L529 HydrophobicContact CG2-CG 4.21Å; A354-L529 HydrophobicContact CB-CD1 4.39Å; L355-L529 HydrophobicContact CB-CD1 4.24Å; L355-L529 HydrophobicContact CB-CD2 4.43Å; L355-L529 HydrophobicContact CD2-CD2 4.47Å; L525-L529 HydrophobicContact CD1-CB 3.66Å; L525-L529 HydrophobicContact CD1-CD1 3.71Å; L525-L529 HydrophobicContact CD1-CG 4.36Å; L525-L529 HydrophobicContact CG-CB 4.28Å; F526-L529 WeakPolarHBondContact O-CB 3.25Å; F526-L529 PolarHBondContact O-N 3.09Å; T527-L529 PolarHBondContact O-N 3.09Å; L529-L532 HydrophobicContact CD2-CD2 4.37Å; L529-M533 WeakPolarHBondContact O-CG 3.47Å; L529-M533 PolarHBondContact O-N 2.9Å
530	I	87.3	Confident	85.1	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-46.9	170.5	-59.3	174.8	0	0	0	109.1	L525 F526 T527 L532 M533 Q534 F545 E547 L549	L525-I530 HydrophobicContact CD2-CD1 4.22Å; L525-I530 HydrophobicContact CD2-CG1 3.59Å; L525-I530 HydrophobicContact CG-CG1 3.97Å; F526-I530 PolarHBondContact O-N 3.29Å; T527-I530 WeakPolarHBondContact O-CA 3.43Å; T527-I530 WeakPolarHBondContact O-CB 3.49Å; T527-I530 PolarHBondContact O-N 3.46Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 3.03Å; I530-M533 PolarHBondContact O-N 2.91Å; I530-Q534 HydrophobicContact CG2-CG 4.22Å; I530-Q534 VanDerWaalsContact O-CB 3.31Å; I530-Q534 WeakPolarHBondContact O-CB 3.43Å; I530-Q534 VanDerWaalsContact O-CG 3.28Å; I530-Q534 WeakPolarHBondContact O-CG 3.43Å; I530-Q534 PolarHBondContact O-N 2.95Å; I530-F545 HydrophobicContact CG2-CB 4.47Å; I530-E547 HydrophobicContact CD1-CB 4.49Å; I530-E547 HydrophobicContact CD1-CG 4.43Å; I530-E547 HydrophobicContact CG2-CB 4.2Å; I530-L549 HydrophobicContact CB-CD2 4.37Å; I530-L549 HydrophobicContact CD1-CD2 4.26Å; I530-L549 HydrophobicContact CG2-CD1 4.19Å; I530-L549 HydrophobicContact CG2-CD2 4.11Å; I530-L549 HydrophobicContact CG2-CG 4.36Å
531	E	88.1	Confident	85.9	Confident	84 Å²	84	39.8 Å²	39.8	39%	0.393	21%	0.208	S	C	.	.	H	α-helix	trans	-58.5	-42	175.1	-70.1	178	-162.6	0	0	111.9	T527 Q534 S535 L549	T527-E531 WeakPolarHBondContact O-CG 3.31Å; T527-E531 PolarHBondContact O-N 2.96Å; E531-Q534 PolarHBondContact O-N 3.24Å; E531-S535 WeakPolarHBondContact O-CB 3.35Å; E531-S535 PolarHBondContact O-N 3.34Å; E531-L549 HydrophobicContact CG-CD1 3.33Å
532	L	91.7	Very high	86.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-51.3	175.8	-176.1	68.3	0	0	0	111.5	I314 R318 L319 K322 L355 D528 L529 I530 S535	I314-L532 HydrophobicContact CD1-CD1 4.38Å; I314-L532 HydrophobicContact CD1-CD2 4.23Å; I314-L532 HydrophobicContact CD1-CG 4.21Å; R318-L532 HydrophobicContact CB-CD1 3.92Å; L319-L532 HydrophobicContact CD1-CD2 3.88Å; K322-L532 HydrophobicContact CB-CD2 4.16Å; K322-L532 HydrophobicContact CG-CB 4.41Å; K322-L532 HydrophobicContact CG-CD1 4.31Å; L355-L532 HydrophobicContact CD2-CD2 4.49Å; D528-L532 WeakPolarHBondContact O-CB 3.16Å; D528-L532 PolarHBondContact O-N 2.81Å; L529-L532 HydrophobicContact CD2-CD2 4.37Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 3.03Å; L532-S535 PolarHBondContact O-N 3.31Å; L532-S535 VanDerWaalsContact O-N 3.15Å; L532-S535 PolarHBondContact O-OG 3.21Å
533	M	94.5	Very high	87.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-35.2	179	-63.7	-64.2	100.2	0	0	112.8	L312 I314 L355 L359 L529 I530 S535 S536 I541 F545	L312-M533 HydrophobicContact CD1-CE 4.21Å; L312-M533 HydrophobicContact CD1-SD 4.49Å; I314-M533 HydrophobicContact CD1-CE 3.73Å; I314-M533 HydrophobicContact CG2-CE 4.26Å; L355-M533 HydrophobicContact CD1-CE 3.91Å; L355-M533 HydrophobicContact CD1-CG 3.92Å; L355-M533 HydrophobicContact CD1-SD 3.87Å; L355-M533 HydrophobicContact CD2-CE 4.25Å; L359-M533 HydrophobicContact CD2-SD 3.92Å; L529-M533 WeakPolarHBondContact O-CG 3.47Å; L529-M533 PolarHBondContact O-N 2.9Å; I530-M533 PolarHBondContact O-N 2.91Å; M533-S535 PolarHBondContact O-N 3.16Å; M533-S536 WeakPolarHBondContact O-CB 3.43Å; M533-S536 PolarHBondContact O-N 3.49Å; M533-S536 VanDerWaalsContact O-N 3.11Å; M533-I541 HydrophobicContact CB-CG2 4.36Å; M533-I541 HydrophobicContact SD-CG2 4.17Å; M533-F545 HydrophobicContact CB-CB 4.46Å; M533-F545 HydrophobicContact CB-CD1 4.38Å; M533-F545 HydrophobicContact CB-CD2 3.41Å; M533-F545 VanDerWaalsContact CB-CD2 3.41Å; M533-F545 HydrophobicContact CB-CE2 3.62Å; M533-F545 HydrophobicContact CB-CG 3.83Å; M533-F545 HydrophobicContact CB-CZ 4.2Å; M533-F545 HydrophobicContact CG-CD2 3.92Å; M533-F545 HydrophobicContact CG-CE1 4.31Å; M533-F545 HydrophobicContact CG-CE2 3.57Å; M533-F545 HydrophobicContact CG-CG 4.43Å; M533-F545 HydrophobicContact CG-CZ 3.79Å; M533-F545 HydrophobicContact SD-CE2 4.23Å
534	Q	92.8	Very high	88.7	Confident	63 Å²	63	44.3 Å²	44.3	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-20.6	172.4	-75.5	179.7	-11.2	0	0	112.7	I530 E531 R542 F545 E547	I530-Q534 HydrophobicContact CG2-CG 4.22Å; I530-Q534 VanDerWaalsContact O-CB 3.31Å; I530-Q534 WeakPolarHBondContact O-CB 3.43Å; I530-Q534 VanDerWaalsContact O-CG 3.28Å; I530-Q534 WeakPolarHBondContact O-CG 3.43Å; I530-Q534 PolarHBondContact O-N 2.95Å; E531-Q534 PolarHBondContact O-N 3.24Å; Q534-R542 VanDerWaalsContact O-CD 3.3Å; Q534-R542 WeakPolarHBondContact O-CD 3.47Å; Q534-R542 WeakPolarHBondContact O-CG 3.12Å; Q534-F545 HydrophobicContact CG-CB 4.19Å; Q534-F545 WeakPolarHBondContact CG-O 3.43Å; Q534-F545 PolarHBondContact NE2-O 3.13Å; Q534-E547 PolarHBondContact NE2-O 2.97Å
535	S	94.2	Very high	90.1	Very high	42 Å²	42	42.3 Å²	42.3	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.9	172.7	79.3	0	0	0	0	115	R318 E531 L532 M533	R318-S535 PolarHBondContact NH1-OG 3.43Å; E531-S535 WeakPolarHBondContact O-CB 3.35Å; E531-S535 PolarHBondContact O-N 3.34Å; L532-S535 PolarHBondContact O-N 3.31Å; L532-S535 VanDerWaalsContact O-N 3.15Å; L532-S535 PolarHBondContact O-OG 3.21Å; M533-S535 PolarHBondContact O-N 3.16Å
536	S	96.6	Very high	90.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	25%	0.247	C	C	.	.			trans	-60.8	136.8	175.8	177.7	0	0	0	0	112	L312 G313 M533 I538 R542	L312-S536 WeakPolarHBondContact O-CB 3.07Å; L312-S536 PolarHBondContact O-OG 3.08Å; G313-S536 CarbonylContact O-C 3.56Å; G313-S536 VanDerWaalsContact O-CA 3.27Å; G313-S536 WeakPolarHBondContact O-CA 3.25Å; G313-S536 PolarHBondContact O-OG 2.87Å; M533-S536 WeakPolarHBondContact O-CB 3.43Å; M533-S536 PolarHBondContact O-N 3.49Å; M533-S536 VanDerWaalsContact O-N 3.11Å; S536-I538 PolarHBondContact O-N 3.49Å; S536-I538 PolarHBondContact OG-N 3.44Å; S536-I538 VanDerWaalsContact OG-N 3.1Å; S536-R542 WeakPolarHBondContact O-CD 3.34Å; S536-R542 WeakPolarHBondContact O-CG 3.36Å; S536-R542 PolarHBondContact O-NE 3.49Å
537	E	96.1	Very high	91.2	Very high	165 Å²	165	43.9 Å²	43.9	77%	0.771	24%	0.242	S	C	*	.	S	Bend	trans	-62.5	-30.4	170.5	-61.3	-170.1	161.7	0	0	111.3	G313 S539 R542	G313-E537 PolarHBondContact O-N 2.62Å; E537-S539 PolarHBondContact O-N 2.84Å; E537-R542 PolarHBondContact O-NH2 2.96Å
538	I	95.4	Very high	91.1	Very high	29 Å²	29	45.2 Å²	45.2	15%	0.149	25%	0.246	C	C	.	.			trans	-73.4	114.7	-177.1	-59.1	173.4	0	0	0	109.9	M274 Q277 S536 F540 I541 R542	M274-I538 HydrophobicContact SD-CG2 3.64Å; Q277-I538 VanDerWaalsContact NE2-CD1 3.35Å; S536-I538 PolarHBondContact O-N 3.49Å; S536-I538 PolarHBondContact OG-N 3.44Å; S536-I538 VanDerWaalsContact OG-N 3.1Å; I538-F540 VanDerWaalsContact C-N 3.29Å; I538-F540 HydrophobicContact CG2-CB 3.98Å; I538-F540 PolarHBondContact O-N 2.84Å; I538-I541 HydrophobicContact CB-CB 4.33Å; I538-I541 HydrophobicContact CB-CD1 4.17Å; I538-I541 HydrophobicContact CB-CG1 4.27Å; I538-I541 HydrophobicContact CD1-CD1 3.96Å; I538-I541 HydrophobicContact CG2-CB 4.4Å; I538-I541 HydrophobicContact CG2-CD1 4.29Å; I538-I541 HydrophobicContact CG2-CG1 4.06Å; I538-I541 PolarHBondContact O-N 3.38Å; I538-R542 PolarHBondContact O-N 3.15Å; I538-R542 VanDerWaalsContact O-N 3.15Å
539	S	95.1	Very high	90.6	Very high	87 Å²	87	46.2 Å²	46.2	61%	0.608	25%	0.252	S	S	*	.	H	α-helix	trans	-59.3	-37	179.1	52.3	0	0	0	0	113	E537 R542 A543	E537-S539 PolarHBondContact O-N 2.84Å; S539-R542 PolarHBondContact O-N 3.37Å; S539-A543 WeakPolarHBondContact O-CB 3.46Å; S539-A543 PolarHBondContact O-N 3.2Å
540	F	95.5	Very high	89.4	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-46.3	176.5	-171.2	-85.4	0	0	0	111.9	D271 M274 V275 I278 Y366 I538 A543 L544	D271-F540 HydrophobicContact CB-CE2 3.98Å; D271-F540 VanDerWaalsContact OD1-CD2 3.27Å; D271-F540 WeakPolarHBondContact OD1-CD2 3.48Å; D271-F540 VanDerWaalsContact OD1-CE2 3.24Å; D271-F540 WeakPolarHBondContact OD1-CE2 3.23Å; M274-F540 HydrophobicContact CB-CB 4.16Å; M274-F540 HydrophobicContact CB-CD1 3.73Å; M274-F540 HydrophobicContact CB-CD2 4.09Å; M274-F540 HydrophobicContact CB-CE1 4.11Å; M274-F540 HydrophobicContact CB-CE2 4.43Å; M274-F540 HydrophobicContact CB-CG 3.73Å; M274-F540 HydrophobicContact CB-CZ 4.45Å; M274-F540 HydrophobicContact CG-CB 4.05Å; M274-F540 HydrophobicContact CG-CD2 4.45Å; M274-F540 HydrophobicContact CG-CG 4.12Å; V275-F540 HydrophobicContact CG2-CE1 4.25Å; V275-F540 HydrophobicContact CG2-CZ 3.79Å; I278-F540 HydrophobicContact CD1-CD1 3.82Å; I278-F540 HydrophobicContact CD1-CE1 3.77Å; Y366-F540 AromaticContact CD1-CZ 3.96Å; Y366-F540 HydrophobicContact CD1-CZ 3.96Å; Y366-F540 HydrophobicContact CD2-CE2 4.32Å; Y366-F540 HydrophobicContact CD2-CZ 4.15Å; Y366-F540 HydrophobicContact CE1-CE2 4.04Å; Y366-F540 AromaticContact CE1-CZ 3.77Å; Y366-F540 HydrophobicContact CE1-CZ 3.77Å; Y366-F540 AromaticContact CE2-CE2 3.7Å; Y366-F540 HydrophobicContact CE2-CE2 3.7Å; Y366-F540 AromaticContact CE2-CZ 3.93Å; Y366-F540 HydrophobicContact CE2-CZ 3.93Å; Y366-F540 HydrophobicContact CG-CZ 4.18Å; Y366-F540 AromaticContact CZ-CE2 3.56Å; Y366-F540 AromaticContact CZ-CZ 3.76Å; I538-F540 VanDerWaalsContact C-N 3.29Å; I538-F540 HydrophobicContact CG2-CB 3.98Å; I538-F540 PolarHBondContact O-N 2.84Å; F540-A543 WeakPolarHBondContact O-CB 3.45Å; F540-A543 PolarHBondContact O-N 3.44Å; F540-L544 HydrophobicContact CD1-CD1 4.3Å; F540-L544 HydrophobicContact CD1-CG 4.48Å; F540-L544 HydrophobicContact CE1-CD1 4.01Å; F540-L544 HydrophobicContact CE1-CD2 4.48Å; F540-L544 HydrophobicContact CE1-CG 4.32Å; F540-L544 PolarHBondContact O-N 3.24Å
541	I	95.1	Very high	87.9	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-44.3	178	-68.2	176.2	0	0	0	110.3	I278 L312 M533 I538 A543 L544 F545	I278-I541 HydrophobicContact CD1-CG1 3.9Å; I278-I541 HydrophobicContact CG1-CD1 4.18Å; I278-I541 HydrophobicContact CG1-CG1 4.08Å; L312-I541 HydrophobicContact CB-CD1 4.23Å; L312-I541 HydrophobicContact CD2-CD1 3.99Å; L312-I541 WeakPolarHBondContact O-CD1 3.38Å; M533-I541 HydrophobicContact CB-CG2 4.36Å; M533-I541 HydrophobicContact SD-CG2 4.17Å; I538-I541 HydrophobicContact CB-CB 4.33Å; I538-I541 HydrophobicContact CB-CD1 4.17Å; I538-I541 HydrophobicContact CB-CG1 4.27Å; I538-I541 HydrophobicContact CD1-CD1 3.96Å; I538-I541 HydrophobicContact CG2-CB 4.4Å; I538-I541 HydrophobicContact CG2-CD1 4.29Å; I538-I541 HydrophobicContact CG2-CG1 4.06Å; I538-I541 PolarHBondContact O-N 3.38Å; I541-A543 VanDerWaalsContact C-N 3.27Å; I541-A543 PolarHBondContact O-N 2.95Å; I541-L544 WeakPolarHBondContact O-CB 3.42Å; I541-L544 PolarHBondContact O-N 2.92Å; I541-F545 WeakPolarHBondContact O-CD2 3.31Å
542	R	94.6	Very high	86.2	Confident	115 Å²	115	58.7 Å²	58.7	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-58	-38.5	174.4	-71.9	-176.1	-82.7	164.5	-11.8	112.8	Q534 S536 E537 I538 S539 L544 F545	Q534-R542 VanDerWaalsContact O-CD 3.3Å; Q534-R542 WeakPolarHBondContact O-CD 3.47Å; Q534-R542 WeakPolarHBondContact O-CG 3.12Å; S536-R542 WeakPolarHBondContact O-CD 3.34Å; S536-R542 WeakPolarHBondContact O-CG 3.36Å; S536-R542 PolarHBondContact O-NE 3.49Å; E537-R542 PolarHBondContact O-NH2 2.96Å; I538-R542 PolarHBondContact O-N 3.15Å; I538-R542 VanDerWaalsContact O-N 3.15Å; S539-R542 PolarHBondContact O-N 3.37Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 3.39Å; R542-F545 CarbonylContact O-C 3.59Å; R542-F545 PolarHBondContact O-N 3.44Å; R542-F545 VanDerWaalsContact O-N 3.13Å
543	A	93.6	Very high	84.4	Confident	74 Å²	74	64.1 Å²	64.1	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-25	176.6	0	0	0	0	0	113.6	S539 F540 I541 F545	S539-A543 WeakPolarHBondContact O-CB 3.46Å; S539-A543 PolarHBondContact O-N 3.2Å; F540-A543 WeakPolarHBondContact O-CB 3.45Å; F540-A543 PolarHBondContact O-N 3.44Å; I541-A543 VanDerWaalsContact C-N 3.27Å; I541-A543 PolarHBondContact O-N 2.95Å; A543-F545 VanDerWaalsContact C-N 3.27Å; A543-F545 PolarHBondContact O-N 3.14Å
544	L	93.4	Very high	82	Confident	14 Å²	14	74.1 Å²	74.1	7%	0.073	39%	0.394	C	S	.	.	H	α-helix	trans	-73.7	-13.6	172.8	-65.4	-177.7	0	0	0	113.6	I278 R362 V363 Y366 F540 I541 R542 P546	I278-L544 HydrophobicContact CD1-CD1 3.7Å; R362-L544 HydrophobicContact CB-CB 4.05Å; R362-L544 HydrophobicContact CB-CD1 4.35Å; R362-L544 HydrophobicContact CB-CD2 4.33Å; R362-L544 HydrophobicContact CB-CG 4.48Å; R362-L544 VanDerWaalsContact CD-O 3.3Å; R362-L544 WeakPolarHBondContact CD-O 3.23Å; R362-L544 PolarHBondContact NH1-O 2.98Å; V363-L544 HydrophobicContact CG2-CD1 4.01Å; Y366-L544 HydrophobicContact CD2-CD2 4.44Å; Y366-L544 HydrophobicContact CG-CD2 4.31Å; F540-L544 HydrophobicContact CD1-CD1 4.3Å; F540-L544 HydrophobicContact CD1-CG 4.48Å; F540-L544 HydrophobicContact CE1-CD1 4.01Å; F540-L544 HydrophobicContact CE1-CD2 4.48Å; F540-L544 HydrophobicContact CE1-CG 4.32Å; F540-L544 PolarHBondContact O-N 3.24Å; I541-L544 WeakPolarHBondContact O-CB 3.42Å; I541-L544 PolarHBondContact O-N 2.92Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 3.39Å; L544-P546 VanDerWaalsContact C-CD 3.43Å; L544-P546 WeakPolarHBondContact O-CD 3.47Å
545	F	91.9	Very high	80.1	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.009	41%	0.41	C	S	.	.			trans	-124.9	65.7	179.4	-63.5	-86.2	0	0	0	112.1	A358 L359 R362 L525 I530 M533 Q534 I541 R542 A543 E547	A358-F545 HydrophobicContact CB-CE1 4.48Å; L359-F545 HydrophobicContact CD2-CE2 3.96Å; L359-F545 HydrophobicContact CD2-CZ 4.07Å; R362-F545 HydrophobicContact CG-CE1 4.32Å; R362-F545 HydrophobicContact CG-CZ 4.37Å; L525-F545 HydrophobicContact CD2-CD1 4.2Å; L525-F545 HydrophobicContact CD2-CE1 3.77Å; I530-F545 HydrophobicContact CG2-CB 4.47Å; M533-F545 HydrophobicContact CB-CB 4.46Å; M533-F545 HydrophobicContact CB-CD1 4.38Å; M533-F545 HydrophobicContact CB-CD2 3.41Å; M533-F545 VanDerWaalsContact CB-CD2 3.41Å; M533-F545 HydrophobicContact CB-CE2 3.62Å; M533-F545 HydrophobicContact CB-CG 3.83Å; M533-F545 HydrophobicContact CB-CZ 4.2Å; M533-F545 HydrophobicContact CG-CD2 3.92Å; M533-F545 HydrophobicContact CG-CE1 4.31Å; M533-F545 HydrophobicContact CG-CE2 3.57Å; M533-F545 HydrophobicContact CG-CG 4.43Å; M533-F545 HydrophobicContact CG-CZ 3.79Å; M533-F545 HydrophobicContact SD-CE2 4.23Å; Q534-F545 HydrophobicContact CG-CB 4.19Å; Q534-F545 WeakPolarHBondContact CG-O 3.43Å; Q534-F545 PolarHBondContact NE2-O 3.13Å; I541-F545 WeakPolarHBondContact O-CD2 3.31Å; R542-F545 CarbonylContact O-C 3.59Å; R542-F545 PolarHBondContact O-N 3.44Å; R542-F545 VanDerWaalsContact O-N 3.13Å; A543-F545 VanDerWaalsContact C-N 3.27Å; A543-F545 PolarHBondContact O-N 3.14Å; F545-E547 VanDerWaalsContact C-OE2 3.27Å; F545-E547 WeakPolarHBondContact CA-OE2 3.42Å; F545-E547 PolarHBondContact O-N 3.49Å
546	P	86.7	Confident	78.5	Confident	100 Å²	100	81.9 Å²	81.9	65%	0.649	43%	0.433	S	S	*	.			trans	-76	1.4	-175.5	33.9	-38.8	0	0	0	115.2	L544 N548	L544-P546 VanDerWaalsContact C-CD 3.43Å; L544-P546 WeakPolarHBondContact O-CD 3.47Å; P546-N548 PolarHBondContact O-N 2.9Å
547	E	84.8	Confident	76.9	Confident	35 Å²	35	86.1 Å²	86.1	16%	0.164	46%	0.461	C	S	.	.			trans	-57.9	123.9	-174.8	-69.6	97	125.5	0	0	114.3	R362 I530 Q534 F545 L549	R362-E547 IonicContact CZ-OE1 3.55Å; R362-E547 IonicContact CZ-OE2 3.57Å; R362-E547 IonicContact NH1-OE1 2.74Å; R362-E547 PolarHBondContact NH1-OE1 3.3Å; R362-E547 IonicContact NH1-OE2 3.5Å; R362-E547 PolarHBondContact NH1-OE2 3.18Å; R362-E547 IonicContact NH2-OE1 2.74Å; R362-E547 PolarHBondContact NH2-OE1 2.9Å; R362-E547 IonicContact NH2-OE2 2.84Å; I530-E547 HydrophobicContact CD1-CB 4.49Å; I530-E547 HydrophobicContact CD1-CG 4.43Å; I530-E547 HydrophobicContact CG2-CB 4.2Å; Q534-E547 PolarHBondContact NE2-O 2.97Å; F545-E547 VanDerWaalsContact C-OE2 3.27Å; F545-E547 WeakPolarHBondContact CA-OE2 3.42Å; F545-E547 PolarHBondContact O-N 3.49Å; E547-L549 PolarHBondContact O-N 3.24Å
548	N	76.9	Confident	75.6	Confident	95 Å²	95	82.6 Å²	82.6	51%	0.508	45%	0.451	S	S	.	.			trans	-87.3	88.7	176.8	-170.6	-26.2	0	0	0	111.2	P546 N550 A551 E552	P546-N548 PolarHBondContact O-N 2.9Å; N548-N550 PolarHBondContact O-N 2.96Å; N548-N550 PolarHBondContact OD1-N 2.79Å; N548-A551 HydrophobicContact CB-CB 4.32Å; N548-A551 PolarHBondContact O-N 3.35Å; N548-A551 PolarHBondContact OD1-N 2.83Å; N548-E552 PolarHBondContact O-N 3.04Å
549	L	71.7	Confident	74.8	Confident	25 Å²	25	82.1 Å²	82.1	13%	0.131	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.5	-177.6	-60.1	175.5	0	0	0	115.1	T527 I530 E531 E547 K553	T527-L549 HydrophobicContact CG2-CD2 3.83Å; I530-L549 HydrophobicContact CB-CD2 4.37Å; I530-L549 HydrophobicContact CD1-CD2 4.26Å; I530-L549 HydrophobicContact CG2-CD1 4.19Å; I530-L549 HydrophobicContact CG2-CD2 4.11Å; I530-L549 HydrophobicContact CG2-CG 4.36Å; E531-L549 HydrophobicContact CG-CD1 3.33Å; E547-L549 PolarHBondContact O-N 3.24Å; L549-K553 WeakPolarHBondContact O-CG 3.28Å
550	N	61.2	Low	74	Confident	150 Å²	150	78.3 Å²	78.3	80%	0.802	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-29.3	174.7	-70.5	-51.5	0	0	0	113.1	N548	N548-N550 PolarHBondContact O-N 2.96Å; N548-N550 PolarHBondContact OD1-N 2.79Å
551	A	56.4	Low	73.4	Confident	72 Å²	72	77.4 Å²	77.4	60%	0.595	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-37.5	-179	0	0	0	0	0	112.6	N548 K553	N548-A551 HydrophobicContact CB-CB 4.32Å; N548-A551 PolarHBondContact O-N 3.35Å; N548-A551 PolarHBondContact OD1-N 2.83Å; A551-K553 PolarHBondContact O-N 3.14Å
552	E	52.7	Low	72.7	Confident	137 Å²	137	79.9 Å²	79.9	64%	0.64	44%	0.436	S	S	*	.			trans	-86.6	1.7	-166.7	-60.7	-161.7	139.2	0	0	115.6	N548 K554	N548-E552 PolarHBondContact O-N 3.04Å; E552-K554 PolarHBondContact O-N 2.86Å
553	K	52.6	Low	72.1	Confident	119 Å²	119	77.8 Å²	77.8	52%	0.517	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	26.4	177.7	-65	-160.9	172.3	-164.4	0	115.2	D329 L549 A551	D329-K553 IonicContact OD2-NZ 3.49Å; D329-K553 PolarHBondContact OD2-NZ 2.84Å; L549-K553 WeakPolarHBondContact O-CG 3.28Å; A551-K553 PolarHBondContact O-N 3.14Å
554	K	44.5	Very low	71.7	Confident	210 Å²	210	75.3 Å²	75.3	91%	0.913	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	37.3	179	-75.4	-173.5	175.5	177.4	0	113.6	E552	E552-K554 PolarHBondContact O-N 2.86Å
555	G	53.5	Low	71.3	Confident	62 Å²	62	76.5 Å²	76.5	64%	0.639	41%	0.411	S	S	*	.	S	Bend	trans	-143.5	163.7	173.3	0	0	0	0	0	113.4
556	R	60.9	Low	71.1	Confident	206 Å²	206	83 Å²	83	78%	0.777	44%	0.44	S	S	*	.			trans	-77.9	140.1	158.5	-68.9	-176.5	179.3	-173.6	-1.8	107.9
557	P	61.4	Low	70.9	Confident	91 Å²	91	81.6 Å²	81.6	59%	0.591	42%	0.424	S	S	*	.			trans	-54.3	141.6	172.6	-25.8	34.9	0	0	0	111.7	V524 T559	V524-P557 HydrophobicContact CG2-CB 4.08Å; P557-T559 PolarHBondContact O-N 3.38Å
558	T	69.9	Low	70.9	Confident	91 Å²	91	80 Å²	80	56%	0.558	42%	0.417	S	S	*	.			trans	-82.9	114.7	-179.9	48	0	0	0	0	110.8	K563	T558-K563 WeakPolarHBondContact O-CE 3.4Å; T558-K563 PolarHBondContact O-NZ 3.49Å; T558-K563 WeakPolarHBondContact OG1-CE 3.34Å
559	T	78.8	Confident	71.4	Confident	19 Å²	19	78 Å²	78	12%	0.117	41%	0.406	C	S	.	.			trans	-65	158.5	176.5	57.7	0	0	0	0	111.8	D463 N521 P557 G561 S562 K563	D463-T559 WeakPolarHBondContact OD1-CB 3.49Å; D463-T559 VanDerWaalsContact OD1-CG2 3.31Å; D463-T559 WeakPolarHBondContact OD1-CG2 3.13Å; D463-T559 PolarHBondContact OD1-OG1 3.08Å; D463-T559 PolarHBondContact OD2-OG1 2.77Å; D463-T559 VanDerWaalsContact OD2-OG1 3.11Å; N521-T559 CarbonylContact O-C 3.49Å; N521-T559 WeakPolarHBondContact O-CA 3.48Å; N521-T559 WeakPolarHBondContact O-CB 3.41Å; P557-T559 PolarHBondContact O-N 3.38Å; T559-G561 VanDerWaalsContact C-N 3.34Å; T559-G561 PolarHBondContact O-N 2.82Å; T559-S562 PolarHBondContact O-N 2.87Å; T559-S562 WeakPolarHBondContact OG1-CB 3.27Å; T559-S562 PolarHBondContact OG1-N 2.86Å; T559-K563 WeakPolarHBondContact O-CD 3.34Å; T559-K563 VanDerWaalsContact O-CG 3.3Å; T559-K563 WeakPolarHBondContact O-CG 3.29Å; T559-K563 PolarHBondContact O-N 2.93Å
560	A	77.5	Confident	72.1	Confident	7 Å²	7	80.4 Å²	80.4	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-54.8	-49.4	170.2	0	0	0	0	0	110.9	F400 N521 D523 S562 K563 I564	F400-A560 HydrophobicContact CE1-CB 3.63Å; F400-A560 HydrophobicContact CZ-CB 3.78Å; N521-A560 PolarHBondContact O-N 2.87Å; D523-A560 HydrophobicContact CB-CB 3.81Å; A560-S562 VanDerWaalsContact C-N 3.33Å; A560-S562 PolarHBondContact O-N 3.12Å; A560-K563 WeakPolarHBondContact O-CB 3.47Å; A560-K563 PolarHBondContact O-N 3.04Å; A560-K563 VanDerWaalsContact O-N 3.08Å; A560-I564 HydrophobicContact CB-CD1 4.09Å; A560-I564 VanDerWaalsContact O-CB 3.26Å; A560-I564 WeakPolarHBondContact O-CB 3.46Å; A560-I564 WeakPolarHBondContact O-CD1 3.22Å; A560-I564 WeakPolarHBondContact O-CG1 3.39Å; A560-I564 PolarHBondContact O-N 3.21Å
561	G	82.3	Confident	73.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-54	-46.1	178.5	0	0	0	0	0	112.9	N521 T559 I564 K565	N521-G561 VanDerWaalsContact OD1-CA 3.32Å; N521-G561 WeakPolarHBondContact OD1-CA 3.37Å; N521-G561 PolarHBondContact OD1-N 3.21Å; T559-G561 VanDerWaalsContact C-N 3.34Å; T559-G561 PolarHBondContact O-N 2.82Å; G561-I564 PolarHBondContact O-N 3.24Å; G561-K565 WeakPolarHBondContact O-CB 3.47Å; G561-K565 PolarHBondContact O-N 3.29Å
562	S	82.3	Confident	74.4	Confident	54 Å²	54	71.3 Å²	71.3	38%	0.378	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-39.8	175.4	-84.4	0	0	0	0	113.5	D463 T559 A560 K566	D463-S562 PolarHBondContact OD2-OG 2.92Å; T559-S562 PolarHBondContact O-N 2.87Å; T559-S562 WeakPolarHBondContact OG1-CB 3.27Å; T559-S562 PolarHBondContact OG1-N 2.86Å; A560-S562 VanDerWaalsContact C-N 3.33Å; A560-S562 PolarHBondContact O-N 3.12Å; S562-K566 PolarHBondContact O-N 2.79Å
563	K	81.8	Confident	76	Confident	70 Å²	70	67.6 Å²	67.6	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-47.8	173.7	-70.6	158.6	176	151.2	0	111.3	D523 T558 T559 A560 K566 Q567	D523-K563 PolarHBondContact O-NZ 2.86Å; D523-K563 IonicContact OD2-NZ 3.75Å; D523-K563 PolarHBondContact OD2-NZ 2.81Å; T558-K563 WeakPolarHBondContact O-CE 3.4Å; T558-K563 PolarHBondContact O-NZ 3.49Å; T558-K563 WeakPolarHBondContact OG1-CE 3.34Å; T559-K563 WeakPolarHBondContact O-CD 3.34Å; T559-K563 VanDerWaalsContact O-CG 3.3Å; T559-K563 WeakPolarHBondContact O-CG 3.29Å; T559-K563 PolarHBondContact O-N 2.93Å; A560-K563 WeakPolarHBondContact O-CB 3.47Å; A560-K563 PolarHBondContact O-N 3.04Å; A560-K563 VanDerWaalsContact O-N 3.08Å; K563-K566 WeakPolarHBondContact O-CB 3.39Å; K563-K566 PolarHBondContact O-N 3.23Å; K563-Q567 PolarHBondContact O-N 2.65Å
564	I	83.4	Confident	77.5	Confident	22 Å²	22	63.8 Å²	63.8	11%	0.113	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-46.4	-178.3	-68	168.8	0	0	0	110.3	L193 F400 C404 A560 G561 K566 Q567 A568	L193-I564 HydrophobicContact CD2-CB 3.83Å; L193-I564 HydrophobicContact CD2-CD1 4.49Å; L193-I564 HydrophobicContact CD2-CG1 3.51Å; L193-I564 HydrophobicContact CD2-CG2 3.69Å; F400-I564 HydrophobicContact CE1-CD1 4.24Å; F400-I564 HydrophobicContact CZ-CD1 4.31Å; C404-I564 HydrophobicContact CB-CD1 3.86Å; C404-I564 HydrophobicContact CB-CG2 4.02Å; C404-I564 WeakPolarHBondContact SG-CD1 3.37Å; A560-I564 HydrophobicContact CB-CD1 4.09Å; A560-I564 VanDerWaalsContact O-CB 3.26Å; A560-I564 WeakPolarHBondContact O-CB 3.46Å; A560-I564 WeakPolarHBondContact O-CD1 3.22Å; A560-I564 WeakPolarHBondContact O-CG1 3.39Å; A560-I564 PolarHBondContact O-N 3.21Å; G561-I564 PolarHBondContact O-N 3.24Å; I564-K566 VanDerWaalsContact C-N 3.32Å; I564-K566 PolarHBondContact O-N 2.7Å; I564-Q567 PolarHBondContact O-N 3.23Å; I564-A568 WeakPolarHBondContact O-CB 3.34Å; I564-A568 PolarHBondContact O-N 3.49Å
565	K	86.4	Confident	79.4	Confident	39 Å²	39	53.8 Å²	53.8	17%	0.17	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-41.4	173.3	179.4	179.4	174.3	174.6	0	112.3	E451 M459 G561 N569	E451-K565 HydrophobicContact CB-CD 3.95Å; E451-K565 HydrophobicContact CB-CG 4.41Å; E451-K565 PolarHBondContact O-NZ 3.5Å; E451-K565 VanDerWaalsContact OE2-CE 3.28Å; E451-K565 WeakPolarHBondContact OE2-CE 3.44Å; E451-K565 WeakPolarHBondContact OE2-CG 3.45Å; M459-K565 HydrophobicContact SD-CB 4.22Å; G561-K565 WeakPolarHBondContact O-CB 3.47Å; G561-K565 PolarHBondContact O-N 3.29Å; K565-N569 PolarHBondContact O-N 2.93Å; K565-N569 PolarHBondContact O-ND2 3.26Å
566	K	86.4	Confident	80.9	Confident	140 Å²	140	54.6 Å²	54.6	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-55.1	175.4	-170.5	-167.2	170	-168.6	0	110.4	S562 K563 I564 A568 N569 D570	S562-K566 PolarHBondContact O-N 2.79Å; K563-K566 WeakPolarHBondContact O-CB 3.39Å; K563-K566 PolarHBondContact O-N 3.23Å; I564-K566 VanDerWaalsContact C-N 3.32Å; I564-K566 PolarHBondContact O-N 2.7Å; K566-A568 VanDerWaalsContact C-N 3.29Å; K566-A568 PolarHBondContact O-N 3.44Å; K566-N569 PolarHBondContact O-N 3.42Å; K566-N569 VanDerWaalsContact O-N 3.07Å; K566-D570 VanDerWaalsContact CE-OD2 3.26Å; K566-D570 WeakPolarHBondContact CE-OD2 3.5Å; K566-D570 WeakPolarHBondContact CG-OD2 3.42Å; K566-D570 PolarHBondContact O-N 2.67Å
567	Q	83.8	Confident	82	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-53.7	-43	179	-77.4	-174.2	-11	0	0	112.8	F192 L193 K563 I564 D570 L571	F192-Q567 HydrophobicContact CD1-CB 4.08Å; F192-Q567 HydrophobicContact CD1-CG 4.37Å; L193-Q567 VanDerWaalsContact CD2-OE1 3.24Å; K563-Q567 PolarHBondContact O-N 2.65Å; I564-Q567 PolarHBondContact O-N 3.23Å; Q567-D570 PolarHBondContact O-N 3.43Å; Q567-L571 WeakPolarHBondContact O-CB 3.03Å; Q567-L571 PolarHBondContact O-N 2.64Å
568	A	84.6	Confident	83.3	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-43.6	177.5	0	0	0	0	0	112.6	F407 V408 I564 K566 V572	F407-A568 HydrophobicContact CE1-CB 4.05Å; V408-A568 HydrophobicContact CG2-CB 3.91Å; I564-A568 WeakPolarHBondContact O-CB 3.34Å; I564-A568 PolarHBondContact O-N 3.49Å; K566-A568 VanDerWaalsContact C-N 3.29Å; K566-A568 PolarHBondContact O-N 3.44Å; A568-V572 WeakPolarHBondContact O-CG2 3.26Å; A568-V572 PolarHBondContact O-N 3.4Å
569	N	86.7	Confident	84.1	Confident	51 Å²	51	45.6 Å²	45.6	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-76.8	-29.8	-180	-71.4	-65.9	0	0	0	112.6	K411 E451 K565 K566 V572 S573	K411-N569 PolarHBondContact NZ-OD1 2.63Å; E451-N569 PolarHBondContact OE2-ND2 3.23Å; K565-N569 PolarHBondContact O-N 2.93Å; K565-N569 PolarHBondContact O-ND2 3.26Å; K566-N569 PolarHBondContact O-N 3.42Å; K566-N569 VanDerWaalsContact O-N 3.07Å; N569-V572 PolarHBondContact O-N 3.26Å; N569-S573 WeakPolarHBondContact O-CB 3.36Å; N569-S573 PolarHBondContact O-N 3.23Å
570	D	86.1	Confident	84.6	Confident	77 Å²	77	46.2 Å²	46.2	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-40.1	170.8	-69.5	-18.5	0	0	0	111.1	K566 Q567 S573 T574	K566-D570 VanDerWaalsContact CE-OD2 3.26Å; K566-D570 WeakPolarHBondContact CE-OD2 3.5Å; K566-D570 WeakPolarHBondContact CG-OD2 3.42Å; K566-D570 PolarHBondContact O-N 2.67Å; Q567-D570 PolarHBondContact O-N 3.43Å; D570-S573 PolarHBondContact O-N 3.15Å; D570-T574 PolarHBondContact O-N 2.83Å; D570-T574 PolarHBondContact O-OG1 3.17Å
571	L	83	Confident	85.2	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-46.8	171.5	175.8	60.1	0	0	0	111.5	F192 L387 L412 Q567 S573 T574 L575	F192-L571 HydrophobicContact CE1-CB 4.25Å; F192-L571 HydrophobicContact CE2-CD1 3.92Å; F192-L571 HydrophobicContact CE2-CD2 4.47Å; F192-L571 HydrophobicContact CZ-CB 4.12Å; F192-L571 HydrophobicContact CZ-CD1 4.06Å; L387-L571 HydrophobicContact CD1-CD1 4.26Å; L387-L571 HydrophobicContact CD1-CD2 4.31Å; L387-L571 HydrophobicContact CD2-CD2 4.34Å; L412-L571 HydrophobicContact CD2-CD2 4.49Å; Q567-L571 WeakPolarHBondContact O-CB 3.03Å; Q567-L571 PolarHBondContact O-N 2.64Å; L571-S573 VanDerWaalsContact C-N 3.33Å; L571-S573 PolarHBondContact O-N 2.71Å; L571-T574 WeakPolarHBondContact O-CB 3.04Å; L571-T574 PolarHBondContact O-N 3.28Å; L571-T574 VanDerWaalsContact O-N 3.08Å; L571-L575 HydrophobicContact CD1-CD1 3.99Å; L571-L575 HydrophobicContact CD1-CG 4.04Å; L571-L575 HydrophobicContact CG-CD1 3.98Å; L571-L575 HydrophobicContact CG-CG 4.45Å; L571-L575 WeakPolarHBondContact O-CG 3.22Å; L571-L575 PolarHBondContact O-N 2.83Å
572	V	84.3	Confident	85.6	Confident	27 Å²	27	47.2 Å²	47.2	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-48.9	173.8	171.3	0	0	0	0	110.9	K411 I415 A568 N569 T574 L575 M576	K411-V572 HydrophobicContact CD-CG2 4.5Å; I415-V572 HydrophobicContact CD1-CB 4.06Å; I415-V572 HydrophobicContact CD1-CG1 4.03Å; I415-V572 HydrophobicContact CD1-CG2 3.61Å; I415-V572 HydrophobicContact CG1-CG1 4.16Å; I415-V572 HydrophobicContact CG1-CG2 4.25Å; A568-V572 WeakPolarHBondContact O-CG2 3.26Å; A568-V572 PolarHBondContact O-N 3.4Å; N569-V572 PolarHBondContact O-N 3.26Å; V572-T574 PolarHBondContact O-N 3.25Å; V572-L575 PolarHBondContact O-N 2.87Å; V572-M576 HydrophobicContact CG1-CG 4.23Å; V572-M576 WeakPolarHBondContact O-CB 3.34Å; V572-M576 VanDerWaalsContact O-CG 3.23Å; V572-M576 WeakPolarHBondContact O-CG 3.35Å; V572-M576 PolarHBondContact O-N 2.91Å
573	S	85.8	Confident	86.2	Confident	59 Å²	59	44.6 Å²	44.6	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-30.3	178.3	-175.2	0	0	0	0	112.9	N569 D570 L571 K577	N569-S573 WeakPolarHBondContact O-CB 3.36Å; N569-S573 PolarHBondContact O-N 3.23Å; D570-S573 PolarHBondContact O-N 3.15Å; L571-S573 VanDerWaalsContact C-N 3.33Å; L571-S573 PolarHBondContact O-N 2.71Å; S573-K577 WeakPolarHBondContact O-CD 3.33Å; S573-K577 WeakPolarHBondContact O-CE 3.14Å; S573-K577 WeakPolarHBondContact O-CG 3.49Å
574	T	83.8	Confident	86.7	Confident	38 Å²	38	41.8 Å²	41.8	23%	0.233	21%	0.214	C	C	.	.	H	α-helix	trans	-76.8	-46.8	177.4	-58	0	0	0	0	111.3	Y173 D570 L571 V572 M576 K577	Y173-T574 HydrophobicContact CD1-CG2 4.4Å; Y173-T574 HydrophobicContact CE1-CG2 3.62Å; D570-T574 PolarHBondContact O-N 2.83Å; D570-T574 PolarHBondContact O-OG1 3.17Å; L571-T574 WeakPolarHBondContact O-CB 3.04Å; L571-T574 PolarHBondContact O-N 3.28Å; L571-T574 VanDerWaalsContact O-N 3.08Å; V572-T574 PolarHBondContact O-N 3.25Å; T574-M576 VanDerWaalsContact C-N 3.33Å; T574-M576 PolarHBondContact O-N 2.92Å; T574-K577 PolarHBondContact O-N 3.26Å
575	L	84.9	Confident	87.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-37.1	178.6	-65.9	169.5	0	0	0	112.4	C107 I109 Y173 L387 L412 I415 L571 V572 K577 C578	C107-L575 HydrophobicContact CB-CD2 4.27Å; I109-L575 HydrophobicContact CD1-CD1 4.11Å; I109-L575 HydrophobicContact CD1-CD2 4.26Å; I109-L575 HydrophobicContact CG1-CD2 4.22Å; Y173-L575 HydrophobicContact CE2-CD2 3.81Å; L387-L575 HydrophobicContact CD2-CD1 4.11Å; L412-L575 HydrophobicContact CD2-CD1 3.58Å; I415-L575 HydrophobicContact CD1-CD1 4.05Å; L571-L575 HydrophobicContact CD1-CD1 3.99Å; L571-L575 HydrophobicContact CD1-CG 4.04Å; L571-L575 HydrophobicContact CG-CD1 3.98Å; L571-L575 HydrophobicContact CG-CG 4.45Å; L571-L575 WeakPolarHBondContact O-CG 3.22Å; L571-L575 PolarHBondContact O-N 2.83Å; V572-L575 PolarHBondContact O-N 2.87Å; L575-K577 PolarHBondContact O-N 2.76Å; L575-K577 VanDerWaalsContact O-N 3.13Å; L575-C578 PolarHBondContact O-N 3.01Å; L575-C578 VanDerWaalsContact O-N 3.14Å
576	M	83.9	Confident	87.6	Confident	78 Å²	78	38.9 Å²	38.9	38%	0.384	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.2	177.1	-73.5	-70.9	-160.5	0	0	114.4	I415 L419 V572 T574	I415-M576 HydrophobicContact CG2-CE 4.42Å; L419-M576 HydrophobicContact CD1-SD 3.8Å; L419-M576 HydrophobicContact CD2-CE 4.48Å; L419-M576 HydrophobicContact CD2-SD 3.73Å; L419-M576 HydrophobicContact CG-CE 4.46Å; L419-M576 HydrophobicContact CG-SD 3.95Å; V572-M576 HydrophobicContact CG1-CG 4.23Å; V572-M576 WeakPolarHBondContact O-CB 3.34Å; V572-M576 VanDerWaalsContact O-CG 3.23Å; V572-M576 WeakPolarHBondContact O-CG 3.35Å; V572-M576 PolarHBondContact O-N 2.91Å; T574-M576 VanDerWaalsContact C-N 3.33Å; T574-M576 PolarHBondContact O-N 2.92Å
577	K	85.8	Confident	87.9	Confident	139 Å²	139	32.2 Å²	32.2	60%	0.604	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	3.7	175.4	-64.4	162.9	-170.9	161.1	0	113.1	S573 T574 L575	S573-K577 WeakPolarHBondContact O-CD 3.33Å; S573-K577 WeakPolarHBondContact O-CE 3.14Å; S573-K577 WeakPolarHBondContact O-CG 3.49Å; T574-K577 PolarHBondContact O-N 3.26Å; L575-K577 PolarHBondContact O-N 2.76Å; L575-K577 VanDerWaalsContact O-N 3.13Å
578	C	87.4	Confident	88.4	Confident	14 Å²	14	29 Å²	29	10%	0.095	16%	0.157	C	C	.	.	S	Bend	trans	-130.5	150.9	-172.9	-53.3	0	0	0	0	110.7	N105 C107 L575 P580	N105-C578 HydrophobicContact CB-CB 4.3Å; N105-C578 CarbonylContact O-C 3.5Å; N105-C578 VanDerWaalsContact O-CA 3.23Å; N105-C578 WeakPolarHBondContact O-CA 3.23Å; C107-C578 HydrophobicContact CB-CB 3.79Å; L575-C578 PolarHBondContact O-N 3.01Å; L575-C578 VanDerWaalsContact O-N 3.14Å; C578-P580 WeakPolarHBondContact O-CD 3.37Å
579	T	87.1	Confident	88.8	Confident	46 Å²	46	28.9 Å²	28.9	28%	0.282	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121	166.5	-36	0	0	0	0	109.2	E104 N105 Q106 C107 H581	E104-T579 PolarHBondContact OE2-OG1 2.66Å; N105-T579 PolarHBondContact O-N 3.38Å; N105-T579 PolarHBondContact O-OG1 3.06Å; Q106-T579 PolarHBondContact NE2-OG1 2.87Å; C107-T579 PolarHBondContact N-O 2.57Å; T579-H581 PolarHBondContact O-CD2 3.2Å
580	P	88.8	Confident	88.7	Confident	33 Å²	33	29 Å²	29	21%	0.214	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.9	-173.4	36.6	-37.7	0	0	0	113.3	C107 L419 C578 Y582	C107-P580 CarbonylContact O-C 3.54Å; L419-P580 HydrophobicContact CB-CG 4.1Å; L419-P580 HydrophobicContact CD1-CB 4.39Å; L419-P580 HydrophobicContact CD1-CG 3.78Å; C578-P580 WeakPolarHBondContact O-CD 3.37Å; P580-Y582 HydrophobicContact CB-CE2 3.76Å; P580-Y582 WeakPolarHBondContact CB-OH 3.12Å; P580-Y582 HydrophobicContact CG-CE2 3.99Å
581	H	90.8	Very high	88.7	Confident	20 Å²	20	28.9 Å²	28.9	9%	0.093	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.6	171.2	-59.8	-106.4	0	0	0	108.5	L91 M95 Q106 C107 V108 I109 T579	L91-H581 HydrophobicContact CD1-CB 4.48Å; L91-H581 HydrophobicContact CD2-CB 4.29Å; L91-H581 HydrophobicContact CG-CB 4.44Å; M95-H581 HydrophobicContact CG-CB 4.37Å; M95-H581 HydrophobicContact SD-CB 4.31Å; Q106-H581 PolarHBondContact OE1-NE2 3.32Å; C107-H581 PolarHBondContact O-CD2 2.82Å; C107-H581 PolarHBondContact O-N 2.82Å; V108-H581 CarbonylContact C-O 3.47Å; V108-H581 WeakPolarHBondContact CA-O 3.1Å; V108-H581 HydrophobicContact CB-CB 4.27Å; V108-H581 HydrophobicContact CG2-CB 4.29Å; I109-H581 PolarHBondContact N-O 3.08Å; T579-H581 PolarHBondContact O-CD2 3.2Å
582	Y	90.7	Very high	88.8	Confident	7 Å²	7	32.4 Å²	32.4	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.5	-170.3	-64.6	-85.1	0	0	0	112.8	L56 I109 F416 T420 P580	L56-Y582 PolarHBondContact N-O 3.47Å; I109-Y582 HydrophobicContact CB-CD1 3.88Å; I109-Y582 HydrophobicContact CB-CE1 4Å; I109-Y582 HydrophobicContact CD1-CD1 4.38Å; I109-Y582 HydrophobicContact CD1-CE1 3.62Å; I109-Y582 HydrophobicContact CG1-CE1 4.35Å; I109-Y582 HydrophobicContact CG2-CD1 4.21Å; I109-Y582 HydrophobicContact CG2-CE1 4.31Å; F416-Y582 HydrophobicContact CB-CE1 3.93Å; F416-Y582 AromaticContact CD2-CD1 3.75Å; F416-Y582 HydrophobicContact CD2-CD1 3.75Å; F416-Y582 AromaticContact CD2-CD2 3.87Å; F416-Y582 HydrophobicContact CD2-CD2 3.87Å; F416-Y582 AromaticContact CD2-CE1 3.66Å; F416-Y582 HydrophobicContact CD2-CE1 3.66Å; F416-Y582 AromaticContact CD2-CE2 3.79Å; F416-Y582 HydrophobicContact CD2-CE2 3.79Å; F416-Y582 AromaticContact CD2-CG 3.85Å; F416-Y582 HydrophobicContact CD2-CG 3.85Å; F416-Y582 AromaticContact CD2-CZ 3.7Å; F416-Y582 HydrophobicContact CE2-CD1 4.49Å; F416-Y582 HydrophobicContact CE2-CD2 4.13Å; F416-Y582 HydrophobicContact CE2-CE2 4.38Å; F416-Y582 HydrophobicContact CE2-CG 4.19Å; F416-Y582 HydrophobicContact CG-CE1 4.28Å; T420-Y582 HydrophobicContact CG2-CD2 4.2Å; T420-Y582 HydrophobicContact CG2-CE2 3.59Å; P580-Y582 HydrophobicContact CB-CE2 3.76Å; P580-Y582 WeakPolarHBondContact CB-OH 3.12Å; P580-Y582 HydrophobicContact CG-CE2 3.99Å
583	I	93.9	Very high	89	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.2	169.8	-54.2	-175.5	0	0	0	109.1	L56 I88 L91 V108 I109 I110 S111 I125	L56-I583 HydrophobicContact CB-CG1 4.35Å; L56-I583 HydrophobicContact CD2-CD1 4.33Å; L56-I583 HydrophobicContact CD2-CG1 4.47Å; L56-I583 CarbonylContact O-C 3.58Å; L56-I583 VanDerWaalsContact O-CA 3.31Å; L56-I583 WeakPolarHBondContact O-CA 3.37Å; I88-I583 HydrophobicContact CD1-CD1 3.78Å; I88-I583 HydrophobicContact CG1-CD1 3.97Å; L91-I583 HydrophobicContact CD1-CD1 4.35Å; L91-I583 HydrophobicContact CD1-CG1 3.97Å; L91-I583 HydrophobicContact CD2-CD1 4.44Å; V108-I583 HydrophobicContact CG2-CD1 4.06Å; V108-I583 HydrophobicContact CG2-CG1 3.9Å; I109-I583 PolarHBondContact O-N 2.82Å; I110-I583 HydrophobicContact CG1-CB 4.33Å; I110-I583 HydrophobicContact CG1-CD1 4.38Å; I110-I583 HydrophobicContact CG2-CB 4.24Å; I110-I583 HydrophobicContact CG2-CG2 4.37Å; S111-I583 PolarHBondContact N-O 2.83Å; S111-I583 PolarHBondContact OG-O 3.39Å; I125-I583 HydrophobicContact CD1-CD1 3.63Å
584	R	93	Very high	89.3	Confident	10 Å²	10	37.5 Å²	37.5	4%	0.038	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107.9	173.8	-50.2	-56.9	-164.2	152.7	8.8	108.9	V55 L56 I57 S58 S111 L609 L611	V55-R584 HydrophobicContact CG1-CG 3.92Å; L56-R584 PolarHBondContact O-N 3.45Å; I57-R584 WeakPolarHBondContact CA-O 3.39Å; I57-R584 HydrophobicContact CD1-CB 3.77Å; I57-R584 HydrophobicContact CD1-CG 4.16Å; S58-R584 PolarHBondContact N-O 2.96Å; S111-R584 WeakPolarHBondContact OG-CD 3.41Å; S111-R584 PolarHBondContact OG-NH1 3.07Å; R584-L609 HydrophobicContact CB-CD1 4.31Å; R584-L609 HydrophobicContact CB-CD2 4.48Å; R584-L611 HydrophobicContact CB-CD2 4.21Å; R584-L611 HydrophobicContact CG-CD2 4.03Å
585	C	94.5	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.6	-178.8	-64.9	0	0	0	0	111.2	S58 S111 G112 A116 K118	S58-C585 CarbonylContact O-C 3.53Å; S58-C585 VanDerWaalsContact O-CA 3.27Å; S58-C585 WeakPolarHBondContact O-CA 3.22Å; S111-C585 WeakPolarHBondContact O-CB 3.08Å; S111-C585 PolarHBondContact O-N 3.4Å; G112-C585 WeakPolarHBondContact CA-O 3.41Å; A116-C585 HydrophobicContact CB-CB 3.78Å; A116-C585 WeakPolarHBondContact O-CB 3.28Å; K118-C585 HydrophobicContact CG-CB 4.13Å
586	I	94.4	Very high	90.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	-178.6	-66.4	175.6	0	0	0	109.8	L39 I57 S58 V59 N60 V602 L609 L611	L39-I586 HydrophobicContact CD1-CD1 3.71Å; I57-I586 HydrophobicContact CG2-CD1 3.7Å; I57-I586 HydrophobicContact CG2-CG1 4.38Å; S58-I586 PolarHBondContact O-N 3.43Å; V59-I586 CarbonylContact C-O 3.58Å; V59-I586 WeakPolarHBondContact CA-O 3.45Å; V59-I586 HydrophobicContact CG2-CB 4.36Å; N60-I586 PolarHBondContact N-O 3.23Å; I586-V602 HydrophobicContact CG2-CG1 3.96Å; I586-V602 HydrophobicContact CG2-CG2 4.26Å; I586-L609 HydrophobicContact CG1-CD1 3.96Å; I586-L611 HydrophobicContact CD1-CD1 4.11Å
587	K	92.6	Very high	90.7	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.199	C	C	.	.			trans	-93	115.9	170.6	-167.9	-172.2	-178.4	178.6	0	108.6	F62 E113 A116 R163 N589 E590 Q605	F62-K587 HydrophobicContact CE2-CG 4.33Å; F62-K587 HydrophobicContact CZ-CG 3.81Å; E113-K587 HydrophobicContact CG-CB 3.96Å; E113-K587 WeakPolarHBondContact OE1-CB 3.45Å; E113-K587 WeakPolarHBondContact OE1-CD 3.31Å; A116-K587 HydrophobicContact CB-CB 4.25Å; R163-K587 PolarHBondContact O-NZ 3.16Å; K587-N589 VanDerWaalsContact CE-O 3.29Å; K587-N589 WeakPolarHBondContact CE-O 3.48Å; K587-N589 WeakPolarHBondContact CG-O 3.48Å; K587-E590 IonicContact NZ-OE1 3.55Å; K587-E590 PolarHBondContact NZ-OE1 2.97Å; K587-E590 IonicContact NZ-OE2 3.27Å; K587-E590 PolarHBondContact NZ-OE2 2.59Å; K587-Q605 PolarHBondContact O-NE2 3.15Å
588	P	94.9	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.			trans	-76.9	-20.5	-173.1	29.2	-35	0	0	0	114.5	Y43 V59 N60 F62 W597 E598	Y43-P588 HydrophobicContact CE1-CB 4.21Å; Y43-P588 HydrophobicContact CE1-CG 4.44Å; Y43-P588 HydrophobicContact CE2-CB 4.16Å; Y43-P588 HydrophobicContact CE2-CG 3.77Å; V59-P588 HydrophobicContact CG1-CB 3.9Å; V59-P588 HydrophobicContact CG1-CG 3.97Å; N60-P588 WeakPolarHBondContact O-CD 3.43Å; N60-P588 VanDerWaalsContact O-CG 3.24Å; N60-P588 WeakPolarHBondContact O-CG 3.43Å; F62-P588 HydrophobicContact CD2-CG 4.1Å; F62-P588 HydrophobicContact CE2-CG 3.9Å; P588-W597 HydrophobicContact CB-CE3 3.75Å; P588-W597 HydrophobicContact CB-CZ3 4.03Å; P588-W597 WeakPolarHBondContact O-CA 3.46Å; P588-E598 PolarHBondContact O-N 3.3Å
589	N	91.8	Very high	91.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.			trans	-159.1	157.4	-178.3	60.1	72.4	0	0	0	111.3	F62 K587 T591 K592 K593 D596 E598	F62-N589 WeakPolarHBondContact CE2-OD1 3.45Å; K587-N589 VanDerWaalsContact CE-O 3.29Å; K587-N589 WeakPolarHBondContact CE-O 3.48Å; K587-N589 WeakPolarHBondContact CG-O 3.48Å; N589-T591 PolarHBondContact OD1-N 2.9Å; N589-T591 PolarHBondContact OD1-OG1 2.97Å; N589-T591 VanDerWaalsContact OD1-OG1 3.08Å; N589-K592 WeakPolarHBondContact OD1-CA 3.47Å; N589-K592 PolarHBondContact OD1-N 3.08Å; N589-K593 PolarHBondContact ND2-O 3.07Å; N589-K593 PolarHBondContact OD1-N 3.26Å; N589-K593 VanDerWaalsContact OD1-N 3.17Å; N589-D596 HydrophobicContact CB-CB 4.29Å; N589-D596 PolarHBondContact ND2-O 2.86Å; N589-E598 HydrophobicContact CB-CB 4.39Å
590	E	85.1	Confident	91.5	Very high	55 Å²	55	43 Å²	43	26%	0.257	22%	0.22	S	C	.	.	S	Bend	trans	-81.5	-15.7	166.9	-82	-66.4	163.3	0	0	114.7	K587 K592 E598 R601	K587-E590 IonicContact NZ-OE1 3.55Å; K587-E590 PolarHBondContact NZ-OE1 2.97Å; K587-E590 IonicContact NZ-OE2 3.27Å; K587-E590 PolarHBondContact NZ-OE2 2.59Å; E590-K592 PolarHBondContact O-N 3.4Å; E590-K592 VanDerWaalsContact O-N 3.14Å; E590-E598 PolarHBondContact N-OE2 3.38Å; E590-E598 VanDerWaalsContact N-OE2 3.08Å; E590-R601 IonicContact OE1-CZ 2.84Å; E590-R601 IonicContact OE1-NE 2.81Å; E590-R601 IonicContact OE1-NH1 2.82Å; E590-R601 PolarHBondContact OE1-NH1 2.91Å; E590-R601 IonicContact OE1-NH2 2.7Å; E590-R601 PolarHBondContact OE1-NH2 3.13Å
591	T	85.6	Confident	91.4	Very high	73 Å²	73	43.3 Å²	43.3	45%	0.448	22%	0.217	S	C	.	.	S	Bend	trans	-69.1	-12.3	-178.3	73.3	0	0	0	0	113.8	N589 K593 D596	N589-T591 PolarHBondContact OD1-N 2.9Å; N589-T591 PolarHBondContact OD1-OG1 2.97Å; N589-T591 VanDerWaalsContact OD1-OG1 3.08Å; T591-K593 PolarHBondContact O-N 3.05Å; T591-K593 WeakPolarHBondContact OG1-CB 3.43Å; T591-K593 PolarHBondContact OG1-N 3.42Å; T591-D596 WeakPolarHBondContact CB-OD2 3.4Å; T591-D596 WeakPolarHBondContact CG2-OD2 3.5Å; T591-D596 PolarHBondContact OG1-OD2 3.11Å
592	K	85.4	Confident	91.5	Very high	78 Å²	78	42.3 Å²	42.3	34%	0.339	21%	0.212	S	C	.	.			trans	59.9	24.9	-172.7	-52.7	172.1	-172.7	163.4	0	113.5	F62 N165 N589 E590	F62-K592 WeakPolarHBondContact CB-O 3.39Å; F62-K592 HydrophobicContact CD1-CB 4.08Å; F62-K592 HydrophobicContact CE1-CB 3.97Å; F62-K592 HydrophobicContact CE1-CG 4.16Å; F62-K592 WeakPolarHBondContact CG-O 3.3Å; F62-K592 HydrophobicContact CZ-CB 4.37Å; F62-K592 HydrophobicContact CZ-CG 4.46Å; N165-K592 PolarHBondContact ND2-NZ 3.42Å; N589-K592 WeakPolarHBondContact OD1-CA 3.47Å; N589-K592 PolarHBondContact OD1-N 3.08Å; E590-K592 PolarHBondContact O-N 3.4Å; E590-K592 VanDerWaalsContact O-N 3.14Å
593	K	88.6	Confident	91.6	Very high	130 Å²	130	44.4 Å²	44.4	57%	0.565	22%	0.221	S	C	*	.			trans	-98.5	142.6	-177.2	-68	176.3	-177.9	176.4	0	112.3	N589 T591 D596	N589-K593 PolarHBondContact ND2-O 3.07Å; N589-K593 PolarHBondContact OD1-N 3.26Å; N589-K593 VanDerWaalsContact OD1-N 3.17Å; T591-K593 PolarHBondContact O-N 3.05Å; T591-K593 WeakPolarHBondContact OG1-CB 3.43Å; T591-K593 PolarHBondContact OG1-N 3.42Å; K593-D596 HydrophobicContact CB-CB 4.09Å
594	P	92.7	Very high	91.1	Very high	63 Å²	63	48.4 Å²	48.4	41%	0.409	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	140.6	171.6	29.8	-34.8	0	0	0	110.9	P61 K63 D596	P61-P594 WeakPolarHBondContact O-CA 3.23Å; P61-P594 WeakPolarHBondContact O-CB 3.35Å; K63-P594 HydrophobicContact CB-CB 4.18Å; K63-P594 HydrophobicContact CD-CB 4.07Å; K63-P594 HydrophobicContact CG-CB 4.02Å; P594-D596 PolarHBondContact O-N 3.36Å
595	K	91.7	Very high	91	Very high	92 Å²	92	48 Å²	48	40%	0.4	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	20	-177.3	-52.8	-155.2	178.7	-153.6	0	115.7	Y43 M44 D46	Y43-K595 PolarHBondContact OH-N 2.93Å; M44-K595 WeakPolarHBondContact CE-O 3.43Å; M44-K595 PolarHBondContact O-NZ 3.11Å; M44-K595 HydrophobicContact SD-CB 4.21Å; D46-K595 VanDerWaalsContact CG-CE 3.47Å; D46-K595 VanDerWaalsContact CG-NZ 3.28Å; D46-K595 WeakPolarHBondContact OD1-CE 3.47Å; D46-K595 IonicContact OD1-NZ 3.84Å; D46-K595 PolarHBondContact OD1-NZ 2.86Å; D46-K595 WeakPolarHBondContact OD2-CE 3.28Å; D46-K595 IonicContact OD2-NZ 3.56Å; D46-K595 PolarHBondContact OD2-NZ 3.23Å
596	D	93.4	Very high	90.8	Very high	57 Å²	57	48 Å²	48	31%	0.305	24%	0.238	S	C	.	.			trans	-99.4	147.5	166.8	-176.9	24.6	0	0	0	110.5	Y43 N589 T591 K593 P594	Y43-D596 WeakPolarHBondContact CE1-O 3.18Å; Y43-D596 PolarHBondContact OH-O 3.14Å; N589-D596 HydrophobicContact CB-CB 4.29Å; N589-D596 PolarHBondContact ND2-O 2.86Å; T591-D596 WeakPolarHBondContact CB-OD2 3.4Å; T591-D596 WeakPolarHBondContact CG2-OD2 3.5Å; T591-D596 PolarHBondContact OG1-OD2 3.11Å; K593-D596 HydrophobicContact CB-CB 4.09Å; P594-D596 PolarHBondContact O-N 3.36Å
597	W	95.7	Very high	90.2	Very high	26 Å²	26	52.1 Å²	52.1	10%	0.098	26%	0.257	C	S	.	.			trans	-148.6	112.8	-168.7	-174.2	-86	0	0	0	113.6	V36 L39 K40 Y43 M44 V59 P588 V602	V36-W597 HydrophobicContact CG1-CZ2 4.02Å; V36-W597 WeakPolarHBondContact O-CZ2 3.08Å; L39-W597 HydrophobicContact CB-CH2 3.76Å; L39-W597 HydrophobicContact CB-CZ2 4.44Å; K40-W597 HydrophobicContact CB-CD2 4.12Å; K40-W597 HydrophobicContact CB-CH2 4.11Å; K40-W597 HydrophobicContact CB-CZ2 3.59Å; K40-W597 HydrophobicContact CD-CG 4.32Å; K40-W597 HydrophobicContact CG-CD2 3.89Å; K40-W597 HydrophobicContact CG-CG 3.99Å; K40-W597 HydrophobicContact CG-CZ2 4.25Å; Y43-W597 AromaticContact CD1-CE3 3.57Å; Y43-W597 HydrophobicContact CD1-CE3 3.57Å; Y43-W597 AromaticContact CD1-CZ3 3.99Å; Y43-W597 HydrophobicContact CD1-CZ3 3.99Å; Y43-W597 HydrophobicContact CE1-CE3 4.07Å; Y43-W597 HydrophobicContact CG-CE3 4.01Å; Y43-W597 AromaticContact CG-CZ3 3.93Å; Y43-W597 HydrophobicContact CG-CZ3 3.93Å; M44-W597 HydrophobicContact CE-CB 3.75Å; V59-W597 HydrophobicContact CG1-CZ3 4.2Å; P588-W597 HydrophobicContact CB-CE3 3.75Å; P588-W597 HydrophobicContact CB-CZ3 4.03Å; P588-W597 WeakPolarHBondContact O-CA 3.46Å; W597-V602 HydrophobicContact CD2-CG2 4.3Å; W597-V602 HydrophobicContact CE3-CG2 4.46Å; W597-V602 HydrophobicContact CH2-CB 4.28Å; W597-V602 HydrophobicContact CH2-CG1 3.73Å; W597-V602 HydrophobicContact CH2-CG2 4.02Å; W597-V602 HydrophobicContact CZ2-CB 3.8Å; W597-V602 HydrophobicContact CZ2-CG1 3.55Å; W597-V602 HydrophobicContact CZ2-CG2 3.81Å; W597-V602 HydrophobicContact CZ3-CG2 4.34Å
598	E	95.4	Very high	89.4	Confident	68 Å²	68	52.8 Å²	52.8	32%	0.318	26%	0.26	S	S	.	.			trans	-98.5	91.9	-178.9	-168.2	-175.2	155.5	0	0	109.8	P588 N589 E590 S600 R601 V602	P588-E598 PolarHBondContact O-N 3.3Å; N589-E598 HydrophobicContact CB-CB 4.39Å; E590-E598 PolarHBondContact N-OE2 3.38Å; E590-E598 VanDerWaalsContact N-OE2 3.08Å; E598-S600 PolarHBondContact O-N 3.25Å; E598-R601 HydrophobicContact CB-CB 4.01Å; E598-R601 HydrophobicContact CG-CB 3.7Å; E598-R601 WeakPolarHBondContact O-CB 3.43Å; E598-R601 PolarHBondContact O-N 3.33Å; E598-R601 VanDerWaalsContact O-N 3.08Å; E598-V602 PolarHBondContact O-N 3.13Å
599	E	93.6	Very high	88.9	Confident	100 Å²	100	53 Å²	53	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-41.9	-163.9	-164.7	161.9	118.3	0	0	114.5	V36 K40 R601 V602 K603	V36-E599 HydrophobicContact CG1-CG 3.75Å; K40-E599 IonicContact NZ-OE2 3.37Å; K40-E599 PolarHBondContact NZ-OE2 3.21Å; E599-R601 VanDerWaalsContact C-N 3.28Å; E599-R601 PolarHBondContact O-N 3.09Å; E599-V602 PolarHBondContact O-N 3.46Å; E599-K603 WeakPolarHBondContact O-CB 3.3Å; E599-K603 PolarHBondContact O-N 3.3Å
600	S	89	Confident	88.3	Confident	90 Å²	90	53.5 Å²	53.5	63%	0.629	27%	0.267	S	S	*	.	H	α-helix	trans	-59	-39.1	173.6	48.5	0	0	0	0	112.2	E598 K603 H604	E598-S600 PolarHBondContact O-N 3.25Å; S600-K603 PolarHBondContact O-N 2.64Å; S600-H604 PolarHBondContact O-N 2.9Å
601	R	86.6	Confident	88.4	Confident	38 Å²	38	50.9 Å²	50.9	14%	0.143	26%	0.255	C	S	.	.	H	α-helix	trans	-72.6	-40.5	179.3	-164.5	-161.3	-173.5	81.3	4.6	112.3	E113 E590 E598 E599 K603 H604 Q605	E113-R601 IonicContact OE1-CZ 3.38Å; E113-R601 VanDerWaalsContact OE1-CZ 3.24Å; E113-R601 IonicContact OE1-NE 3.24Å; E113-R601 PolarHBondContact OE1-NE 2.68Å; E113-R601 IonicContact OE1-NH2 2.79Å; E113-R601 PolarHBondContact OE1-NH2 2.72Å; E113-R601 IonicContact OE2-CZ 2.78Å; E113-R601 IonicContact OE2-NE 3.56Å; E113-R601 IonicContact OE2-NH2 2.64Å; E113-R601 PolarHBondContact OE2-NH2 2.95Å; E590-R601 IonicContact OE1-CZ 2.84Å; E590-R601 IonicContact OE1-NE 2.81Å; E590-R601 IonicContact OE1-NH1 2.82Å; E590-R601 PolarHBondContact OE1-NH1 2.91Å; E590-R601 IonicContact OE1-NH2 2.7Å; E590-R601 PolarHBondContact OE1-NH2 3.13Å; E598-R601 HydrophobicContact CB-CB 4.01Å; E598-R601 HydrophobicContact CG-CB 3.7Å; E598-R601 WeakPolarHBondContact O-CB 3.43Å; E598-R601 PolarHBondContact O-N 3.33Å; E598-R601 VanDerWaalsContact O-N 3.08Å; E599-R601 VanDerWaalsContact C-N 3.28Å; E599-R601 PolarHBondContact O-N 3.09Å; R601-K603 VanDerWaalsContact C-N 3.32Å; R601-H604 PolarHBondContact O-N 3.31Å; R601-Q605 WeakPolarHBondContact O-CG 3.2Å; R601-Q605 PolarHBondContact O-N 2.99Å; R601-Q605 PolarHBondContact O-NE2 2.79Å
602	V	93.4	Very high	88.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-35.5	174.9	-178	0	0	0	0	110.4	V36 I586 W597 E598 E599 Q605 V606	V36-V602 HydrophobicContact CG2-CG1 4.4Å; I586-V602 HydrophobicContact CG2-CG1 3.96Å; I586-V602 HydrophobicContact CG2-CG2 4.26Å; W597-V602 HydrophobicContact CD2-CG2 4.3Å; W597-V602 HydrophobicContact CE3-CG2 4.46Å; W597-V602 HydrophobicContact CH2-CB 4.28Å; W597-V602 HydrophobicContact CH2-CG1 3.73Å; W597-V602 HydrophobicContact CH2-CG2 4.02Å; W597-V602 HydrophobicContact CZ2-CB 3.8Å; W597-V602 HydrophobicContact CZ2-CG1 3.55Å; W597-V602 HydrophobicContact CZ2-CG2 3.81Å; W597-V602 HydrophobicContact CZ3-CG2 4.34Å; E598-V602 PolarHBondContact O-N 3.13Å; E599-V602 PolarHBondContact O-N 3.46Å; V602-Q605 PolarHBondContact O-N 3.36Å; V602-V606 HydrophobicContact CG1-CG2 4.35Å; V602-V606 WeakPolarHBondContact O-CG2 3.32Å; V602-V606 PolarHBondContact O-N 3.03Å
603	K	91.7	Very high	88	Confident	51 Å²	51	50.7 Å²	50.7	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-50.8	171.5	179.1	158.8	-178.6	154.3	0	112.1	E32 D33 V36 E599 S600 R601 Q605 V606 E607	E32-K603 HydrophobicContact CB-CD 4.23Å; E32-K603 HydrophobicContact CB-CG 4.14Å; E32-K603 VanDerWaalsContact OE2-CE 3.22Å; E32-K603 WeakPolarHBondContact OE2-CE 3.48Å; E32-K603 IonicContact OE2-NZ 2.63Å; E32-K603 PolarHBondContact OE2-NZ 2.99Å; D33-K603 IonicContact OD1-NZ 2.8Å; D33-K603 PolarHBondContact OD1-NZ 2.9Å; D33-K603 IonicContact OD2-NZ 2.63Å; V36-K603 HydrophobicContact CG2-CB 3.96Å; E599-K603 WeakPolarHBondContact O-CB 3.3Å; E599-K603 PolarHBondContact O-N 3.3Å; S600-K603 PolarHBondContact O-N 2.64Å; R601-K603 VanDerWaalsContact C-N 3.32Å; K603-Q605 VanDerWaalsContact C-N 3.25Å; K603-Q605 PolarHBondContact O-N 3.36Å; K603-V606 WeakPolarHBondContact O-CB 3.39Å; K603-V606 PolarHBondContact O-N 3.1Å; K603-E607 WeakPolarHBondContact CE-OE1 3.33Å; K603-E607 VanDerWaalsContact CG-OE1 3.29Å; K603-E607 WeakPolarHBondContact CG-OE1 3.5Å; K603-E607 WeakPolarHBondContact O-CG 3.4Å; K603-E607 PolarHBondContact O-N 3.17Å
604	H	84.8	Confident	87.6	Confident	84 Å²	84	44.8 Å²	44.8	39%	0.389	22%	0.223	S	C	.	.	H	α-helix	trans	-57.1	-37.1	175	-176.3	-99.5	0	0	0	112.7	S600 R601 Y608	S600-H604 PolarHBondContact O-N 2.9Å; R601-H604 PolarHBondContact O-N 3.31Å; H604-Y608 AromaticContact CE1-CD1 3.94Å; H604-Y608 AromaticContact ND1-CD1 3.74Å; H604-Y608 WeakPolarHBondContact O-CD1 3.38Å; H604-Y608 PolarHBondContact O-N 3.34Å
605	Q	89.9	Confident	87.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-40.8	172.9	-75	167.9	90.5	0	0	113.1	K587 R601 V602 K603 E607 Y608 L609	K587-Q605 PolarHBondContact O-NE2 3.15Å; R601-Q605 WeakPolarHBondContact O-CG 3.2Å; R601-Q605 PolarHBondContact O-N 2.99Å; R601-Q605 PolarHBondContact O-NE2 2.79Å; V602-Q605 PolarHBondContact O-N 3.36Å; K603-Q605 VanDerWaalsContact C-N 3.25Å; K603-Q605 PolarHBondContact O-N 3.36Å; Q605-E607 VanDerWaalsContact C-N 3.29Å; Q605-E607 PolarHBondContact O-N 2.8Å; Q605-Y608 HydrophobicContact CB-CE1 4.05Å; Q605-Y608 HydrophobicContact CG-CD1 4.4Å; Q605-Y608 HydrophobicContact CG-CE1 3.53Å; Q605-L609 HydrophobicContact CB-CD1 4.42Å; Q605-L609 WeakPolarHBondContact O-CB 3.13Å; Q605-L609 WeakPolarHBondContact O-CD1 3.38Å; Q605-L609 WeakPolarHBondContact O-CG 3.19Å; Q605-L609 PolarHBondContact O-N 3.38Å
606	V	90.4	Very high	86.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-39.2	175.3	164.6	0	0	0	0	111.3	E32 I35 V36 L39 V602 K603 L611	E32-V606 HydrophobicContact CB-CG1 4.04Å; E32-V606 HydrophobicContact CG-CG1 4.42Å; I35-V606 HydrophobicContact CB-CG1 3.99Å; I35-V606 HydrophobicContact CD1-CG1 4.01Å; I35-V606 HydrophobicContact CG2-CB 4.46Å; I35-V606 HydrophobicContact CG2-CG1 3.77Å; I35-V606 HydrophobicContact CG2-CG2 3.75Å; V36-V606 HydrophobicContact CG2-CB 4.32Å; V36-V606 HydrophobicContact CG2-CG2 3.87Å; L39-V606 HydrophobicContact CD1-CG2 4.17Å; V602-V606 HydrophobicContact CG1-CG2 4.35Å; V602-V606 WeakPolarHBondContact O-CG2 3.32Å; V602-V606 PolarHBondContact O-N 3.03Å; K603-V606 WeakPolarHBondContact O-CB 3.39Å; K603-V606 PolarHBondContact O-N 3.1Å; V606-L611 HydrophobicContact CG1-CB 4.41Å; V606-L611 HydrophobicContact CG2-CD1 4.24Å; V606-L611 PolarHBondContact O-N 3.08Å
607	E	82.6	Confident	85.5	Confident	87 Å²	87	42.1 Å²	42.1	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-62.8	173.8	-69	166.2	-172.5	0	0	111.2	E32 K603 Q605 L609 G610	E32-E607 HydrophobicContact CG-CG 3.79Å; K603-E607 WeakPolarHBondContact CE-OE1 3.33Å; K603-E607 VanDerWaalsContact CG-OE1 3.29Å; K603-E607 WeakPolarHBondContact CG-OE1 3.5Å; K603-E607 WeakPolarHBondContact O-CG 3.4Å; K603-E607 PolarHBondContact O-N 3.17Å; Q605-E607 VanDerWaalsContact C-N 3.29Å; Q605-E607 PolarHBondContact O-N 2.8Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 2.93Å; E607-G610 PolarHBondContact O-N 2.62Å
608	Y	76.1	Confident	84.6	Confident	15 Å²	15	42.4 Å²	42.4	6%	0.059	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-27	-172.6	85.9	-117.5	0	0	0	113.5	E113 Y506 A507 H604 Q605 G610	E113-Y608 WeakPolarHBondContact CB-OH 3.39Å; E113-Y608 PolarHBondContact N-OH 2.82Å; E113-Y608 VanDerWaalsContact N-OH 3.09Å; Y506-Y608 WeakPolarHBondContact CD2-O 3.44Å; Y506-Y608 WeakPolarHBondContact CE2-O 3.42Å; A507-Y608 HydrophobicContact CB-CD2 4.46Å; A507-Y608 HydrophobicContact CB-CG 4.35Å; H604-Y608 AromaticContact CE1-CD1 3.94Å; H604-Y608 AromaticContact ND1-CD1 3.74Å; H604-Y608 WeakPolarHBondContact O-CD1 3.38Å; H604-Y608 PolarHBondContact O-N 3.34Å; Q605-Y608 HydrophobicContact CB-CE1 4.05Å; Q605-Y608 HydrophobicContact CG-CD1 4.4Å; Q605-Y608 HydrophobicContact CG-CE1 3.53Å; Y608-G610 PolarHBondContact O-N 2.98Å
609	L	82.9	Confident	83.5	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.8	173.8	-66.5	168.3	0	0	0	112.8	R584 I586 Q605 E607 L611	R584-L609 HydrophobicContact CB-CD1 4.31Å; R584-L609 HydrophobicContact CB-CD2 4.48Å; I586-L609 HydrophobicContact CG1-CD1 3.96Å; Q605-L609 HydrophobicContact CB-CD1 4.42Å; Q605-L609 WeakPolarHBondContact O-CB 3.13Å; Q605-L609 WeakPolarHBondContact O-CD1 3.38Å; Q605-L609 WeakPolarHBondContact O-CG 3.19Å; Q605-L609 PolarHBondContact O-N 3.38Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 2.93Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 HydrophobicContact CB-CD1 4.47Å; L609-L611 HydrophobicContact CB-CD2 3.71Å; L609-L611 HydrophobicContact CB-CG 3.81Å; L609-L611 PolarHBondContact O-N 3.05Å
610	G	79.9	Confident	82.3	Confident	13 Å²	13	42 Å²	42	13%	0.134	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	31.4	179.2	0	0	0	0	0	113.5	E607 Y608 K612 E613 N614	E607-G610 PolarHBondContact O-N 2.62Å; Y608-G610 PolarHBondContact O-N 2.98Å; G610-K612 PolarHBondContact O-N 3.33Å; G610-E613 PolarHBondContact O-N 3.38Å; G610-N614 WeakPolarHBondContact O-CB 3.13Å; G610-N614 PolarHBondContact O-N 2.95Å
611	L	87.6	Confident	81.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-36.3	-171	-57.1	-170	0	0	0	112	I52 I57 R584 I586 V606 L609 N614 I615	I52-L611 HydrophobicContact CD1-CB 4.01Å; I52-L611 HydrophobicContact CD1-CD2 4.08Å; I52-L611 HydrophobicContact CD1-CG 4.47Å; I57-L611 HydrophobicContact CD1-CD1 3.99Å; I57-L611 HydrophobicContact CD1-CD2 3.74Å; R584-L611 HydrophobicContact CB-CD2 4.21Å; R584-L611 HydrophobicContact CG-CD2 4.03Å; I586-L611 HydrophobicContact CD1-CD1 4.11Å; V606-L611 HydrophobicContact CG1-CB 4.41Å; V606-L611 HydrophobicContact CG2-CD1 4.24Å; V606-L611 PolarHBondContact O-N 3.08Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 HydrophobicContact CB-CD1 4.47Å; L609-L611 HydrophobicContact CB-CD2 3.71Å; L609-L611 HydrophobicContact CB-CG 3.81Å; L609-L611 PolarHBondContact O-N 3.05Å; L611-N614 PolarHBondContact O-N 2.85Å; L611-I615 WeakPolarHBondContact O-CD1 3.46Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.31Å; L611-I615 PolarHBondContact O-N 2.83Å
612	K	86	Confident	81.1	Confident	66 Å²	66	37.4 Å²	37.4	29%	0.287	18%	0.175	S	C	.	.	H	α-helix	trans	-62.3	-45.6	174.9	166.6	-173.3	161.3	-163.6	0	111.6	I30 E32 I35 G610 I615 R616	I30-K612 HydrophobicContact CG2-CG 4.2Å; E32-K612 HydrophobicContact CG-CD 4.15Å; E32-K612 WeakPolarHBondContact OE1-CD 3.21Å; E32-K612 VanDerWaalsContact OE1-CE 3.3Å; E32-K612 WeakPolarHBondContact OE1-CE 3.29Å; E32-K612 IonicContact OE1-NZ 3.79Å; E32-K612 PolarHBondContact OE1-NZ 3.22Å; I35-K612 HydrophobicContact CD1-CB 3.81Å; G610-K612 PolarHBondContact O-N 3.33Å; K612-I615 PolarHBondContact O-N 2.92Å; K612-R616 WeakPolarHBondContact O-CB 3.5Å; K612-R616 PolarHBondContact O-N 2.94Å
613	E	76.1	Confident	79.9	Confident	81 Å²	81	39.6 Å²	39.6	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-68.7	-40.5	179.3	-73.1	56.1	-128	0	0	110.7	G610 R616 V617	G610-E613 PolarHBondContact O-N 3.38Å; E613-R616 WeakPolarHBondContact O-CB 3.46Å; E613-R616 PolarHBondContact O-N 2.97Å; E613-V617 WeakPolarHBondContact O-CG2 3.48Å; E613-V617 PolarHBondContact O-N 3.43Å
614	N	80	Confident	79.1	Confident	5 Å²	5	39 Å²	39	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-49.6	171.6	-174.7	4.6	0	0	0	111.5	I52 F416 G610 L611 R616 V617 R618	I52-N614 HydrophobicContact CG2-CB 4.37Å; F416-N614 HydrophobicContact CZ-CB 4.47Å; G610-N614 WeakPolarHBondContact O-CB 3.13Å; G610-N614 PolarHBondContact O-N 2.95Å; L611-N614 PolarHBondContact O-N 2.85Å; N614-R616 VanDerWaalsContact C-N 3.35Å; N614-R616 PolarHBondContact O-N 3.44Å; N614-V617 PolarHBondContact O-N 3.28Å; N614-R618 WeakPolarHBondContact O-CB 3.33Å; N614-R618 WeakPolarHBondContact O-CG 3.27Å; N614-R618 PolarHBondContact O-N 3.3Å
615	I	83	Confident	78.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-42.8	174.5	-67.1	158.6	0	0	0	111	M24 I30 I35 I52 L611 K612 V617 R618 R619	M24-I615 HydrophobicContact CB-CD1 3.66Å; M24-I615 HydrophobicContact CB-CG1 4.19Å; I30-I615 HydrophobicContact CD1-CG2 4.17Å; I30-I615 HydrophobicContact CG1-CG2 4.17Å; I30-I615 HydrophobicContact CG2-CB 4.41Å; I30-I615 HydrophobicContact CG2-CG2 4.07Å; I35-I615 HydrophobicContact CD1-CD1 3.63Å; I35-I615 HydrophobicContact CG1-CD1 3.75Å; I52-I615 HydrophobicContact CB-CG1 4.37Å; I52-I615 HydrophobicContact CD1-CD1 4.07Å; I52-I615 HydrophobicContact CD1-CG1 3.93Å; I52-I615 HydrophobicContact CG1-CD1 4.26Å; I52-I615 HydrophobicContact CG1-CG1 3.94Å; I52-I615 HydrophobicContact CG2-CB 4.44Å; I52-I615 HydrophobicContact CG2-CG1 3.56Å; L611-I615 WeakPolarHBondContact O-CD1 3.46Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.31Å; L611-I615 PolarHBondContact O-N 2.83Å; K612-I615 PolarHBondContact O-N 2.92Å; I615-V617 PolarHBondContact O-N 2.87Å; I615-R618 PolarHBondContact O-N 2.93Å; I615-R619 HydrophobicContact CG2-CG 4.24Å; I615-R619 WeakPolarHBondContact O-CB 3.44Å; I615-R619 WeakPolarHBondContact O-CG 3.3Å; I615-R619 PolarHBondContact O-N 3.41Å
616	R	78.4	Confident	78.3	Confident	148 Å²	148	45 Å²	45	56%	0.558	21%	0.209	S	C	*	.	H	α-helix	trans	-59.7	-46.1	179.1	-175.9	179.6	177.5	-173.5	-3.4	111.9	I30 K612 E613 N614 A620	I30-R616 HydrophobicContact CD1-CB 4.45Å; K612-R616 WeakPolarHBondContact O-CB 3.5Å; K612-R616 PolarHBondContact O-N 2.94Å; E613-R616 WeakPolarHBondContact O-CB 3.46Å; E613-R616 PolarHBondContact O-N 2.97Å; N614-R616 VanDerWaalsContact C-N 3.35Å; N614-R616 PolarHBondContact O-N 3.44Å; R616-A620 WeakPolarHBondContact O-CB 3.3Å; R616-A620 PolarHBondContact O-N 2.98Å; R616-A620 VanDerWaalsContact O-N 3.17Å
617	V	73	Confident	78.1	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-46.8	176.4	178.5	0	0	0	0	110.5	L421 I438 E613 N614 I615 R619 A620 G621	L421-V617 HydrophobicContact CD1-CG2 4.35Å; L421-V617 HydrophobicContact CD2-CB 4.06Å; L421-V617 HydrophobicContact CD2-CG1 3.8Å; L421-V617 HydrophobicContact CD2-CG2 4.15Å; I438-V617 HydrophobicContact CD1-CG1 3.96Å; I438-V617 HydrophobicContact CG2-CG2 3.86Å; E613-V617 WeakPolarHBondContact O-CG2 3.48Å; E613-V617 PolarHBondContact O-N 3.43Å; N614-V617 PolarHBondContact O-N 3.28Å; I615-V617 PolarHBondContact O-N 2.87Å; V617-R619 PolarHBondContact O-N 3.42Å; V617-A620 PolarHBondContact O-N 3.47Å; V617-A620 VanDerWaalsContact O-N 3.11Å; V617-G621 PolarHBondContact O-N 2.78Å
618	R	75.4	Confident	78.5	Confident	32 Å²	32	43.9 Å²	43.9	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-29	-179.7	-69.6	-79.6	158.1	-134.7	-15.3	113.8	V25 I52 T420 E424 N614 I615	V25-R618 HydrophobicContact CG2-CB 3.75Å; I52-R618 HydrophobicContact CG2-CG 4.28Å; T420-R618 PolarHBondContact O-NH2 3.04Å; T420-R618 VanDerWaalsContact O-NH2 3.14Å; E424-R618 IonicContact OE1-NH1 2.67Å; E424-R618 PolarHBondContact OE1-NH1 3.26Å; E424-R618 IonicContact OE2-CZ 2.73Å; E424-R618 IonicContact OE2-NH1 2.67Å; E424-R618 PolarHBondContact OE2-NH1 3.08Å; E424-R618 IonicContact OE2-NH2 2.64Å; N614-R618 WeakPolarHBondContact O-CB 3.33Å; N614-R618 WeakPolarHBondContact O-CG 3.27Å; N614-R618 PolarHBondContact O-N 3.3Å; I615-R618 PolarHBondContact O-N 2.93Å
619	R	72.8	Confident	78.9	Confident	100 Å²	100	50.8 Å²	50.8	38%	0.377	23%	0.233	S	C	.	.	H	α-helix	trans	-85.7	-24	175.1	-69.8	-170.6	110	-163.6	10.5	114.9	V25 L27 I615 V617	V25-R619 HydrophobicContact CG1-CG 3.92Å; V25-R619 PolarHBondContact O-NE 2.84Å; V25-R619 PolarHBondContact O-NH2 3.39Å; L27-R619 PolarHBondContact O-NH1 3Å; L27-R619 PolarHBondContact O-NH2 2.91Å; I615-R619 HydrophobicContact CG2-CG 4.24Å; I615-R619 WeakPolarHBondContact O-CB 3.44Å; I615-R619 WeakPolarHBondContact O-CG 3.3Å; I615-R619 PolarHBondContact O-N 3.41Å; V617-R619 PolarHBondContact O-N 3.42Å
620	A	68.8	Low	78.7	Confident	60 Å²	60	55.5 Å²	55.5	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-88.5	-23.5	176.5	0	0	0	0	0	112.4	I438 R616 V617	I438-A620 HydrophobicContact CD1-CB 3.54Å; I438-A620 HydrophobicContact CG1-CB 3.88Å; R616-A620 WeakPolarHBondContact O-CB 3.3Å; R616-A620 PolarHBondContact O-N 2.98Å; R616-A620 VanDerWaalsContact O-N 3.17Å; V617-A620 PolarHBondContact O-N 3.47Å; V617-A620 VanDerWaalsContact O-N 3.11Å
621	G	72.8	Confident	79	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.031	25%	0.247	C	C	.	.	S	Bend	trans	-77.3	-161.4	163.2	0	0	0	0	0	113.3	Y428 V617	Y428-G621 WeakPolarHBondContact OH-CA 3.46Å; V617-G621 PolarHBondContact O-N 2.78Å
622	Y	77.6	Confident	79.1	Confident	28 Å²	28	55.2 Å²	55.2	11%	0.11	25%	0.249	C	C	.	.			trans	-108.8	123.1	-178.6	-67.1	-94.1	0	0	0	111	Y428 I433 K434 Y624 Q669 F676 I677 K678	Y428-Y622 HydrophobicContact CD1-CD2 4.47Å; Y428-Y622 AromaticContact CE1-CD2 3.85Å; Y428-Y622 HydrophobicContact CE1-CD2 3.85Å; Y428-Y622 HydrophobicContact CE2-CD2 4.36Å; Y428-Y622 AromaticContact CZ-CD2 3.79Å; Y428-Y622 PolarHBondContact OH-N 3.43Å; I433-Y622 HydrophobicContact CD1-CD2 3.86Å; I433-Y622 HydrophobicContact CD1-CE2 3.37Å; I433-Y622 HydrophobicContact CG1-CE2 4.32Å; K434-Y622 PolarHBondContact O-OH 3.22Å; Y622-Y624 PolarHBondContact O-N 2.84Å; Y622-Y624 VanDerWaalsContact O-N 3.07Å; Y622-Q669 HydrophobicContact CE1-CB 4.21Å; Y622-Q669 HydrophobicContact CE1-CG 4.19Å; Y622-Q669 PolarHBondContact OH-NE2 3.11Å; Y622-F676 HydrophobicContact CD1-CB 3.56Å; Y622-F676 HydrophobicContact CD2-CB 4.15Å; Y622-F676 HydrophobicContact CD2-CD1 4.17Å; Y622-F676 HydrophobicContact CD2-CG 4.46Å; Y622-F676 HydrophobicContact CE1-CB 4.01Å; Y622-F676 HydrophobicContact CG-CB 3.63Å; Y622-F676 HydrophobicContact CG-CD1 4.19Å; Y622-F676 HydrophobicContact CG-CG 4.33Å; Y622-I677 CarbonylContact C-O 3.49Å; Y622-I677 WeakPolarHBondContact CB-O 3.31Å; Y622-K678 HydrophobicContact CD1-CB 4.16Å; Y622-K678 HydrophobicContact CE1-CB 4.43Å
623	A	68.3	Low	79	Confident	47 Å²	47	56.5 Å²	56.5	39%	0.388	26%	0.259	S	S	.	.	S	Bend	trans	-55.5	-26.4	-179.1	0	0	0	0	0	114.8	I677 K678 P680	A623-I677 PolarHBondContact N-O 3.45Å; A623-K678 VanDerWaalsContact CB-O 3.25Å; A623-K678 WeakPolarHBondContact CB-O 3.48Å; A623-K678 PolarHBondContact N-O 2.97Å; A623-P680 HydrophobicContact CB-CG 3.74Å
624	Y	75.3	Confident	79.3	Confident	38 Å²	38	56.3 Å²	56.3	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.7	178.8	175	-86.3	0	0	0	112.5	Y622 R626 F631 F676 I677 L683	Y622-Y624 PolarHBondContact O-N 2.84Å; Y622-Y624 VanDerWaalsContact O-N 3.07Å; Y624-R626 HydrophobicContact CE1-CB 3.7Å; Y624-F631 AromaticContact CE1-CD2 3.96Å; Y624-F631 HydrophobicContact CE1-CD2 3.96Å; Y624-F631 HydrophobicContact CE1-CE2 4.15Å; Y624-F676 CarbonylContact O-C 3.59Å; Y624-F676 WeakPolarHBondContact O-CA 3.32Å; Y624-I677 HydrophobicContact CD1-CB 4.48Å; Y624-I677 HydrophobicContact CD1-CD1 3.98Å; Y624-I677 HydrophobicContact CD1-CG1 4.28Å; Y624-I677 HydrophobicContact CE1-CD1 4.47Å; Y624-I677 PolarHBondContact N-O 3.06Å; Y624-I677 VanDerWaalsContact N-O 3.08Å; Y624-I677 PolarHBondContact O-N 2.81Å; Y624-L683 HydrophobicContact CD1-CD1 4.06Å; Y624-L683 HydrophobicContact CD2-CD1 3.77Å; Y624-L683 HydrophobicContact CD2-CD2 3.56Å; Y624-L683 HydrophobicContact CD2-CG 4.31Å; Y624-L683 HydrophobicContact CE1-CD1 4.17Å; Y624-L683 HydrophobicContact CE2-CD1 3.86Å; Y624-L683 HydrophobicContact CE2-CD2 4.18Å; Y624-L683 HydrophobicContact CG-CD1 3.85Å; Y624-L683 HydrophobicContact CG-CD2 3.99Å; Y624-L683 HydrophobicContact CG-CG 4.47Å
625	R	79.8	Confident	79.7	Confident	95 Å²	95	56.1 Å²	56.1	36%	0.358	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.9	177.1	53.5	174.5	167.8	-151	-13.5	111.8	E424 E427 I675 F676	E424-R625 IonicContact OE2-CZ 3.6Å; E424-R625 IonicContact OE2-NH1 3.03Å; E424-R625 IonicContact OE2-NH2 3.25Å; E424-R625 PolarHBondContact OE2-NH2 3.08Å; E427-R625 WeakPolarHBondContact OE2-CD 3.19Å; E427-R625 IonicContact OE2-CZ 3.21Å; E427-R625 IonicContact OE2-NE 2.92Å; E427-R625 IonicContact OE2-NH1 3.77Å; E427-R625 PolarHBondContact OE2-NH1 3.35Å; R625-I675 WeakPolarHBondContact CA-O 3.46Å; R625-F676 HydrophobicContact CB-CD1 3.77Å; R625-F676 HydrophobicContact CB-CE1 3.79Å
626	R	77.6	Confident	80	Confident	115 Å²	115	56.2 Å²	56.2	43%	0.434	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141.7	177.4	-150.6	70.4	173	167.1	-2.6	112.8	Y624 K630 F631 K674 I675	Y624-R626 HydrophobicContact CE1-CB 3.7Å; R626-K630 HydrophobicContact CG-CB 3.99Å; R626-F631 HydrophobicContact CB-CB 4.38Å; R626-F631 HydrophobicContact CG-CB 4.49Å; R626-K674 CarbonylContact O-C 3.54Å; R626-K674 VanDerWaalsContact O-CA 3.27Å; R626-K674 WeakPolarHBondContact O-CA 3.38Å; R626-I675 HydrophobicContact CB-CG2 4.38Å; R626-I675 PolarHBondContact N-O 2.67Å; R626-I675 VanDerWaalsContact O-CG2 3.27Å; R626-I675 WeakPolarHBondContact O-CG2 3.14Å; R626-I675 PolarHBondContact O-N 3.19Å
627	V	85.3	Confident	80.6	Confident	56 Å²	56	49.6 Å²	49.6	34%	0.339	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.9	170.7	177.6	0	0	0	0	109.9	R629 K630 F631 T673 K674	V627-R629 PolarHBondContact O-N 2.63Å; V627-K630 HydrophobicContact CB-CB 4.45Å; V627-K630 PolarHBondContact O-N 3.45Å; V627-F631 PolarHBondContact O-N 3.01Å; V627-T673 WeakPolarHBondContact CA-O 3.27Å; V627-K674 HydrophobicContact CG2-CG 4.01Å
628	F	91.9	Very high	81.4	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-51.8	-47.7	-173.3	-57.5	-45	0	0	0	112.5	K630 F631 L632 E650 K651 V654 L670 T673 K674 I675	F628-K630 PolarHBondContact O-N 3.28Å; F628-F631 WeakPolarHBondContact O-CB 3.4Å; F628-F631 PolarHBondContact O-N 3.34Å; F628-F631 VanDerWaalsContact O-N 3.12Å; F628-L632 WeakPolarHBondContact O-CB 3.18Å; F628-L632 WeakPolarHBondContact O-CG 3.34Å; F628-L632 PolarHBondContact O-N 2.95Å; F628-E650 HydrophobicContact CB-CB 3.61Å; F628-E650 WeakPolarHBondContact CB-OE2 3.48Å; F628-E650 HydrophobicContact CD2-CB 4.29Å; F628-E650 HydrophobicContact CG-CB 4.36Å; F628-K651 HydrophobicContact CD2-CB 4.37Å; F628-K651 HydrophobicContact CE2-CB 4Å; F628-K651 HydrophobicContact CE2-CD 4.2Å; F628-K651 HydrophobicContact CE2-CG 4.18Å; F628-K651 HydrophobicContact CZ-CB 4.31Å; F628-K651 HydrophobicContact CZ-CD 4.09Å; F628-K651 HydrophobicContact CZ-CG 4.02Å; F628-V654 HydrophobicContact CB-CG2 3.95Å; F628-V654 HydrophobicContact CD1-CB 4.48Å; F628-V654 HydrophobicContact CD1-CG2 3.89Å; F628-V654 HydrophobicContact CG-CG2 4.24Å; F628-L670 HydrophobicContact CE1-CB 4.19Å; F628-L670 HydrophobicContact CE1-CD2 3.85Å; F628-L670 HydrophobicContact CZ-CB 4.19Å; F628-T673 WeakPolarHBondContact CD2-O 3.37Å; F628-T673 WeakPolarHBondContact CG-O 3.33Å; F628-T673 PolarHBondContact N-O 3.03Å; F628-K674 WeakPolarHBondContact CE1-O 3.23Å; F628-K674 WeakPolarHBondContact CZ-O 3.23Å; F628-I675 HydrophobicContact CD1-CB 4.14Å; F628-I675 HydrophobicContact CD1-CG2 4.35Å; F628-I675 HydrophobicContact CE1-CB 4.12Å; F628-I675 VanDerWaalsContact CE1-N 3.27Å
629	R	85.3	Confident	82.1	Confident	160 Å²	160	48.8 Å²	48.8	60%	0.604	23%	0.228	S	C	*	.	H	α-helix	trans	-55.5	-45.8	172.7	-156	160.7	52.8	111.3	-3.3	114.8	V627 F631 N633 E650	V627-R629 PolarHBondContact O-N 2.63Å; R629-F631 VanDerWaalsContact C-N 3.28Å; R629-F631 PolarHBondContact O-N 3.19Å; R629-N633 WeakPolarHBondContact O-CB 3.34Å; R629-N633 VanDerWaalsContact O-CG 3.3Å; R629-N633 PolarHBondContact O-N 3.48Å; R629-N633 VanDerWaalsContact O-N 3.09Å; R629-E650 WeakPolarHBondContact CA-OE2 3.47Å; R629-E650 VanDerWaalsContact CB-OE1 3.28Å; R629-E650 WeakPolarHBondContact CB-OE1 3.29Å; R629-E650 WeakPolarHBondContact CB-OE2 3.3Å; R629-E650 VanDerWaalsContact CD-OE1 3.28Å; R629-E650 WeakPolarHBondContact CD-OE1 3.33Å; R629-E650 WeakPolarHBondContact CG-OE1 3.41Å; R629-E650 PolarHBondContact N-OE2 2.99Å
630	K	78.3	Confident	82.8	Confident	103 Å²	103	52.6 Å²	52.6	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-29.8	177.9	-78.3	-169.9	176.9	-175.7	0	110.5	D102 R626 V627 F628	D102-K630 IonicContact OD1-NZ 3Å; D102-K630 PolarHBondContact OD1-NZ 3.17Å; R626-K630 HydrophobicContact CG-CB 3.99Å; V627-K630 HydrophobicContact CB-CB 4.45Å; V627-K630 PolarHBondContact O-N 3.45Å; F628-K630 PolarHBondContact O-N 3.28Å
631	F	84.9	Confident	83.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.3	-51.7	173.7	-174.5	-88.8	0	0	0	112.3	Y624 R626 V627 F628 R629 N633 R634 Y635 V654 L657 L658 I675 I677 L686	Y624-F631 AromaticContact CE1-CD2 3.96Å; Y624-F631 HydrophobicContact CE1-CD2 3.96Å; Y624-F631 HydrophobicContact CE1-CE2 4.15Å; R626-F631 HydrophobicContact CB-CB 4.38Å; R626-F631 HydrophobicContact CG-CB 4.49Å; V627-F631 PolarHBondContact O-N 3.01Å; F628-F631 WeakPolarHBondContact O-CB 3.4Å; F628-F631 PolarHBondContact O-N 3.34Å; F628-F631 VanDerWaalsContact O-N 3.12Å; R629-F631 VanDerWaalsContact C-N 3.28Å; R629-F631 PolarHBondContact O-N 3.19Å; F631-N633 VanDerWaalsContact C-N 3.32Å; F631-N633 PolarHBondContact O-N 2.88Å; F631-R634 PolarHBondContact O-N 2.7Å; F631-Y635 AromaticContact CD1-CD2 3.85Å; F631-Y635 HydrophobicContact CD1-CD2 3.85Å; F631-Y635 AromaticContact CD2-CD2 3.65Å; F631-Y635 HydrophobicContact CD2-CD2 3.65Å; F631-Y635 AromaticContact CD2-CE2 3.51Å; F631-Y635 HydrophobicContact CD2-CE2 3.51Å; F631-Y635 AromaticContact CE1-CD2 3.73Å; F631-Y635 HydrophobicContact CE1-CD2 3.73Å; F631-Y635 HydrophobicContact CE1-CE2 4.41Å; F631-Y635 HydrophobicContact CE1-CG 4.47Å; F631-Y635 AromaticContact CE2-CD2 3.53Å; F631-Y635 HydrophobicContact CE2-CD2 3.53Å; F631-Y635 AromaticContact CE2-CE2 3.34Å; F631-Y635 HydrophobicContact CE2-CE2 3.34Å; F631-Y635 AromaticContact CG-CD2 3.82Å; F631-Y635 HydrophobicContact CG-CD2 3.82Å; F631-Y635 HydrophobicContact CG-CE2 4.14Å; F631-Y635 AromaticContact CZ-CD2 3.58Å; F631-Y635 HydrophobicContact CZ-CD2 3.58Å; F631-Y635 AromaticContact CZ-CE2 3.85Å; F631-Y635 HydrophobicContact CZ-CE2 3.85Å; F631-Y635 HydrophobicContact CZ-CG 4.43Å; F631-Y635 WeakPolarHBondContact O-CD2 3.26Å; F631-Y635 PolarHBondContact O-N 2.94Å; F631-Y635 VanDerWaalsContact O-N 3.08Å; F631-V654 HydrophobicContact CD1-CG1 4.2Å; F631-V654 HydrophobicContact CD1-CG2 3.91Å; F631-V654 HydrophobicContact CE1-CG1 4.1Å; F631-L657 HydrophobicContact CD1-CD1 4.18Å; F631-L657 HydrophobicContact CE1-CB 4.43Å; F631-L657 HydrophobicContact CE1-CD1 4.03Å; F631-L658 HydrophobicContact CZ-CD2 4.04Å; F631-I675 HydrophobicContact CB-CG2 3.94Å; F631-I675 HydrophobicContact CD1-CG2 4.44Å; F631-I675 HydrophobicContact CD2-CD1 4.37Å; F631-I675 HydrophobicContact CD2-CG2 3.64Å; F631-I675 HydrophobicContact CE1-CD1 4.31Å; F631-I675 HydrophobicContact CE2-CD1 3.87Å; F631-I675 HydrophobicContact CE2-CG2 4.2Å; F631-I675 HydrophobicContact CG-CG2 3.76Å; F631-I675 HydrophobicContact CZ-CD1 3.82Å; F631-I677 HydrophobicContact CE2-CD1 4.13Å; F631-L686 HydrophobicContact CE2-CD1 4.02Å; F631-L686 HydrophobicContact CZ-CD1 3.75Å; F631-L686 HydrophobicContact CZ-CD2 4.48Å
632	L	90.6	Very high	84.5	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-52.8	-49.1	178.5	-81.1	163.3	0	0	0	111.5	F628 R634 Y635 A636 W646 E650 V654 L657	F628-L632 WeakPolarHBondContact O-CB 3.18Å; F628-L632 WeakPolarHBondContact O-CG 3.34Å; F628-L632 PolarHBondContact O-N 2.95Å; L632-R634 VanDerWaalsContact C-N 3.26Å; L632-R634 PolarHBondContact O-N 3.2Å; L632-Y635 PolarHBondContact O-N 3.33Å; L632-A636 WeakPolarHBondContact O-CA 3.48Å; L632-A636 VanDerWaalsContact O-CB 3.24Å; L632-A636 WeakPolarHBondContact O-CB 3.26Å; L632-A636 PolarHBondContact O-N 2.96Å; L632-W646 HydrophobicContact CD1-CB 4.37Å; L632-W646 HydrophobicContact CD1-CG 4.46Å; L632-W646 HydrophobicContact CD2-CB 3.93Å; L632-W646 HydrophobicContact CD2-CG 4.15Å; L632-E650 HydrophobicContact CD1-CB 3.79Å; L632-E650 HydrophobicContact CD1-CG 4.18Å; L632-V654 HydrophobicContact CD1-CG2 4.34Å; L632-V654 HydrophobicContact CD2-CG2 4.41Å; L632-V654 HydrophobicContact CG-CG2 3.99Å; L632-L657 HydrophobicContact CD2-CD1 3.69Å
633	N	83.4	Confident	84.9	Confident	93 Å²	93	59.9 Å²	59.9	50%	0.497	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-30	179.9	-70.4	-3.1	0	0	0	113.2	R629 F631	R629-N633 WeakPolarHBondContact O-CB 3.34Å; R629-N633 VanDerWaalsContact O-CG 3.3Å; R629-N633 PolarHBondContact O-N 3.48Å; R629-N633 VanDerWaalsContact O-N 3.09Å; F631-N633 VanDerWaalsContact C-N 3.32Å; F631-N633 PolarHBondContact O-N 2.88Å
634	R	82.4	Confident	85.7	Confident	77 Å²	77	61.8 Å²	61.8	29%	0.291	28%	0.275	S	S	.	.	H	α-helix	trans	-76.6	-39.9	177.6	-177	167.9	179.4	97.2	8.4	112.5	Y82 F631 L632 E687 R690	Y82-R634 PolarHBondContact OH-NH2 3.3Å; F631-R634 PolarHBondContact O-N 2.7Å; L632-R634 VanDerWaalsContact C-N 3.26Å; L632-R634 PolarHBondContact O-N 3.2Å; R634-E687 IonicContact CZ-OE1 3.82Å; R634-E687 VanDerWaalsContact CZ-OE1 3.25Å; R634-E687 IonicContact CZ-OE2 3.76Å; R634-E687 IonicContact NE-OE1 3.49Å; R634-E687 PolarHBondContact NE-OE1 2.74Å; R634-E687 IonicContact NE-OE2 2.7Å; R634-E687 IonicContact NH2-OE1 2.62Å; R634-E687 PolarHBondContact NH2-OE1 3.22Å; R634-E687 IonicContact NH2-OE2 3.63Å; R634-E687 PolarHBondContact NH2-OE2 3.04Å; R634-R690 WeakPolarHBondContact O-CD 3.46Å; R634-R690 PolarHBondContact O-NE 3.08Å; R634-R690 VanDerWaalsContact O-NE 3.09Å
635	Y	88.1	Confident	86.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-104.3	2.8	-172.2	-61.1	-66.5	0	0	0	114.2	F631 L632 I637 L638 L657 L686 E687 R690	F631-Y635 AromaticContact CD1-CD2 3.85Å; F631-Y635 HydrophobicContact CD1-CD2 3.85Å; F631-Y635 AromaticContact CD2-CD2 3.65Å; F631-Y635 HydrophobicContact CD2-CD2 3.65Å; F631-Y635 AromaticContact CD2-CE2 3.51Å; F631-Y635 HydrophobicContact CD2-CE2 3.51Å; F631-Y635 AromaticContact CE1-CD2 3.73Å; F631-Y635 HydrophobicContact CE1-CD2 3.73Å; F631-Y635 HydrophobicContact CE1-CE2 4.41Å; F631-Y635 HydrophobicContact CE1-CG 4.47Å; F631-Y635 AromaticContact CE2-CD2 3.53Å; F631-Y635 HydrophobicContact CE2-CD2 3.53Å; F631-Y635 AromaticContact CE2-CE2 3.34Å; F631-Y635 HydrophobicContact CE2-CE2 3.34Å; F631-Y635 AromaticContact CG-CD2 3.82Å; F631-Y635 HydrophobicContact CG-CD2 3.82Å; F631-Y635 HydrophobicContact CG-CE2 4.14Å; F631-Y635 AromaticContact CZ-CD2 3.58Å; F631-Y635 HydrophobicContact CZ-CD2 3.58Å; F631-Y635 AromaticContact CZ-CE2 3.85Å; F631-Y635 HydrophobicContact CZ-CE2 3.85Å; F631-Y635 HydrophobicContact CZ-CG 4.43Å; F631-Y635 WeakPolarHBondContact O-CD2 3.26Å; F631-Y635 PolarHBondContact O-N 2.94Å; F631-Y635 VanDerWaalsContact O-N 3.08Å; L632-Y635 PolarHBondContact O-N 3.33Å; Y635-I637 PolarHBondContact O-N 3.4Å; Y635-L638 HydrophobicContact CD1-CD1 4.25Å; Y635-L638 HydrophobicContact CG-CD1 4.42Å; Y635-L638 WeakPolarHBondContact O-CB 3.38Å; Y635-L638 VanDerWaalsContact O-CG 3.31Å; Y635-L638 WeakPolarHBondContact O-CG 3.41Å; Y635-L638 PolarHBondContact O-N 3.18Å; Y635-L657 WeakPolarHBondContact O-CD2 3.46Å; Y635-L686 HydrophobicContact CD1-CB 4.23Å; Y635-L686 HydrophobicContact CE1-CB 3.83Å; Y635-E687 HydrophobicContact CE1-CG 4.43Å; Y635-E687 WeakPolarHBondContact CE1-OE1 3.31Å; Y635-E687 PolarHBondContact OH-OE1 3.35Å; Y635-R690 HydrophobicContact CD1-CB 4.39Å
636	A	90.4	Very high	86.7	Confident	3 Å²	3	62.1 Å²	62.1	3%	0.025	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-50	-25.8	177.2	0	0	0	0	0	114.7	L632 L638 S642 W643	L632-A636 WeakPolarHBondContact O-CA 3.48Å; L632-A636 VanDerWaalsContact O-CB 3.24Å; L632-A636 WeakPolarHBondContact O-CB 3.26Å; L632-A636 PolarHBondContact O-N 2.96Å; A636-L638 VanDerWaalsContact C-N 3.29Å; A636-L638 PolarHBondContact O-N 2.9Å; A636-S642 WeakPolarHBondContact CB-O 3.49Å; A636-S642 CarbonylContact O-C 3.43Å; A636-S642 PolarHBondContact O-OG 3.11Å; A636-W643 HydrophobicContact CB-CE3 4.31Å; A636-W643 WeakPolarHBondContact O-CB 3.33Å; A636-W643 PolarHBondContact O-N 3.48Å
637	I	90.4	Very high	87.1	Confident	8 Å²	8	68 Å²	68	4%	0.041	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-74.6	-12.1	179.2	-159.2	169.9	0	0	0	114.2	Y635 W643 R690 K693 F694 Y697	Y635-I637 PolarHBondContact O-N 3.4Å; I637-W643 HydrophobicContact CB-CE3 3.87Å; I637-W643 HydrophobicContact CB-CZ3 3.83Å; I637-W643 HydrophobicContact CD1-CZ3 4.28Å; I637-W643 HydrophobicContact CG1-CE3 4.11Å; I637-W643 HydrophobicContact CG1-CZ3 3.99Å; I637-R690 HydrophobicContact CG2-CB 4.48Å; I637-R690 HydrophobicContact CG2-CG 3.86Å; I637-K693 HydrophobicContact CD1-CB 4.38Å; I637-K693 HydrophobicContact CG1-CB 4.1Å; I637-K693 HydrophobicContact CG2-CB 4.45Å; I637-K693 WeakPolarHBondContact O-CD 3.5Å; I637-F694 HydrophobicContact CD1-CD1 3.67Å; I637-F694 HydrophobicContact CD1-CD2 4.1Å; I637-F694 HydrophobicContact CD1-CE1 3.45Å; I637-F694 VanDerWaalsContact CD1-CE1 3.45Å; I637-F694 HydrophobicContact CD1-CE2 3.9Å; I637-F694 HydrophobicContact CD1-CG 3.98Å; I637-F694 HydrophobicContact CD1-CZ 3.57Å; I637-F694 HydrophobicContact CG2-CE2 4.06Å; I637-F694 HydrophobicContact CG2-CZ 4.42Å; I637-Y697 HydrophobicContact CD1-CD2 3.86Å; I637-Y697 HydrophobicContact CD1-CE2 3.85Å; I637-Y697 HydrophobicContact CG1-CD2 4.29Å; I637-Y697 HydrophobicContact CG1-CE2 3.75Å
638	L	90.3	Very high	87.3	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.031	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.6	-37.7	-179.8	-66.1	-179.7	0	0	0	112.4	Y635 A636 L657 V661 L686 T689 R690 K693	Y635-L638 HydrophobicContact CD1-CD1 4.25Å; Y635-L638 HydrophobicContact CG-CD1 4.42Å; Y635-L638 WeakPolarHBondContact O-CB 3.38Å; Y635-L638 VanDerWaalsContact O-CG 3.31Å; Y635-L638 WeakPolarHBondContact O-CG 3.41Å; Y635-L638 PolarHBondContact O-N 3.18Å; A636-L638 VanDerWaalsContact C-N 3.29Å; A636-L638 PolarHBondContact O-N 2.9Å; L638-L657 HydrophobicContact CB-CD2 4Å; L638-L657 HydrophobicContact CD1-CD2 4.35Å; L638-V661 HydrophobicContact CD1-CG1 4Å; L638-L686 HydrophobicContact CD1-CD2 3.91Å; L638-T689 HydrophobicContact CD2-CG2 3.76Å; L638-R690 HydrophobicContact CD2-CB 3.97Å; L638-K693 VanDerWaalsContact O-CE 3.27Å; L638-K693 WeakPolarHBondContact O-CE 3.21Å; L638-K693 PolarHBondContact O-NZ 2.89Å
639	T	90.3	Very high	87.3	Confident	17 Å²	17	71.7 Å²	71.7	10%	0.104	34%	0.336	C	S	.	.	S	Bend	trans	-126.2	163.4	-177.1	81	0	0	0	0	111.5	E641 S642 W643 H656 L657 S660	T639-E641 VanDerWaalsContact C-N 3.32Å; T639-E641 VanDerWaalsContact CB-OE2 3.23Å; T639-E641 WeakPolarHBondContact CB-OE2 3.23Å; T639-E641 PolarHBondContact OG1-OE2 3.45Å; T639-S642 PolarHBondContact O-OG 2.99Å; T639-S642 WeakPolarHBondContact OG1-CB 3.34Å; T639-S642 PolarHBondContact OG1-N 2.63Å; T639-S642 PolarHBondContact OG1-OG 2.69Å; T639-W643 WeakPolarHBondContact O-CB 3.39Å; T639-H656 WeakPolarHBondContact CB-NE2 3.42Å; T639-H656 WeakPolarHBondContact CG2-NE2 3.45Å; T639-H656 PolarHBondContact OG1-CD2 3.19Å; T639-H656 PolarHBondContact OG1-NE2 3.27Å; T639-L657 HydrophobicContact CG2-CD2 4.24Å; T639-S660 VanDerWaalsContact CG2-OG 3.28Å; T639-S660 WeakPolarHBondContact CG2-OG 3.28Å
640	K	87.7	Confident	87.7	Confident	181 Å²	181	67.1 Å²	67.1	79%	0.787	32%	0.321	S	S	*	.	S	Bend	trans	-78.1	-26.6	178.2	-67	175.1	-178.9	171.3	0	111.5	W643	K640-W643 PolarHBondContact O-N 3.02Å
641	E	88.3	Confident	88.4	Confident	108 Å²	108	65.5 Å²	65.5	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	-81	-27.2	-172.2	-56.6	67.6	-148.5	0	0	111	T639 W646 H656	T639-E641 VanDerWaalsContact C-N 3.32Å; T639-E641 VanDerWaalsContact CB-OE2 3.23Å; T639-E641 WeakPolarHBondContact CB-OE2 3.23Å; T639-E641 PolarHBondContact OG1-OE2 3.45Å; E641-W646 HydrophobicContact CB-CZ3 4.49Å; E641-H656 WeakPolarHBondContact CB-NE2 3.37Å; E641-H656 IonicContact OE2-CE1 3.74Å; E641-H656 IonicContact OE2-NE2 2.63Å; E641-H656 PolarHBondContact OE2-NE2 3.17Å
642	S	88.7	Confident	88.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-87.7	-16.2	170.4	57.3	0	0	0	0	114.3	A636 T639 P644 T645 W646	A636-S642 WeakPolarHBondContact CB-O 3.49Å; A636-S642 CarbonylContact O-C 3.43Å; A636-S642 PolarHBondContact O-OG 3.11Å; T639-S642 PolarHBondContact O-OG 2.99Å; T639-S642 WeakPolarHBondContact OG1-CB 3.34Å; T639-S642 PolarHBondContact OG1-N 2.63Å; T639-S642 PolarHBondContact OG1-OG 2.69Å; S642-P644 CarbonylContact O-C 3.53Å; S642-T645 CarbonylContact O-C 3.3Å; S642-T645 VanDerWaalsContact O-C 3.3Å; S642-T645 WeakPolarHBondContact O-CA 3.15Å; S642-T645 PolarHBondContact O-N 2.59Å; S642-T645 VanDerWaalsContact O-N 3.16Å; S642-W646 PolarHBondContact O-N 3.4Å
643	W	86.2	Confident	88.9	Confident	135 Å²	135	70 Å²	70	51%	0.511	34%	0.336	S	S	.	.	S	Bend	trans	-90.4	139.5	-175.2	-176.9	-97.1	0	0	0	112.7	A636 I637 T639 K640 T645	A636-W643 HydrophobicContact CB-CE3 4.31Å; A636-W643 WeakPolarHBondContact O-CB 3.33Å; A636-W643 PolarHBondContact O-N 3.48Å; I637-W643 HydrophobicContact CB-CE3 3.87Å; I637-W643 HydrophobicContact CB-CZ3 3.83Å; I637-W643 HydrophobicContact CD1-CZ3 4.28Å; I637-W643 HydrophobicContact CG1-CE3 4.11Å; I637-W643 HydrophobicContact CG1-CZ3 3.99Å; T639-W643 WeakPolarHBondContact O-CB 3.39Å; K640-W643 PolarHBondContact O-N 3.02Å; W643-T645 VanDerWaalsContact C-N 3.33Å
644	P	83.7	Confident	89.4	Confident	88 Å²	88	65.6 Å²	65.6	57%	0.571	31%	0.312	S	S	*	.	S	Bend	cis	-81.6	-9.9	-9.6	35.4	-36.4	0	0	0	113	S642	S642-P644 CarbonylContact O-C 3.53Å
645	T	86.2	Confident	90	Very high	78 Å²	78	63.4 Å²	63.4	48%	0.479	31%	0.305	S	S	.	.			trans	-154.7	130.9	179.6	-43.4	0	0	0	0	108.6	S642 W643	S642-T645 CarbonylContact O-C 3.3Å; S642-T645 VanDerWaalsContact O-C 3.3Å; S642-T645 WeakPolarHBondContact O-CA 3.15Å; S642-T645 PolarHBondContact O-N 2.59Å; S642-T645 VanDerWaalsContact O-N 3.16Å; W643-T645 VanDerWaalsContact C-N 3.33Å
646	W	90.4	Very high	90.2	Very high	61 Å²	61	66.9 Å²	66.9	23%	0.231	32%	0.322	C	S	.	.			trans	-65	146.7	173.8	-178.8	-102	0	0	0	111.2	L632 E641 S642 G648 D649 Q652 G653 H656	L632-W646 HydrophobicContact CD1-CB 4.37Å; L632-W646 HydrophobicContact CD1-CG 4.46Å; L632-W646 HydrophobicContact CD2-CB 3.93Å; L632-W646 HydrophobicContact CD2-CG 4.15Å; E641-W646 HydrophobicContact CB-CZ3 4.49Å; S642-W646 PolarHBondContact O-N 3.4Å; W646-G648 VanDerWaalsContact CD1-O 3.27Å; W646-G648 VanDerWaalsContact NE1-C 3.26Å; W646-G648 PolarHBondContact NE1-O 2.89Å; W646-D649 PolarHBondContact NE1-O 2.79Å; W646-Q652 HydrophobicContact CZ2-CB 4.34Å; W646-G653 VanDerWaalsContact CZ2-CA 3.45Å; W646-H656 HydrophobicContact CH2-CB 4.36Å; W646-H656 HydrophobicContact CZ3-CB 4.43Å
647	R	86.8	Confident	90.4	Very high	240 Å²	240	66.7 Å²	66.7	91%	0.906	32%	0.32	S	S	*	.			trans	-124.3	-2.2	-173.8	-63.1	-172	177.8	-139.7	-1.2	115.2
648	G	88.7	Confident	90.5	Very high	48 Å²	48	66.3 Å²	66.3	50%	0.495	32%	0.318	S	S	.	.	S	Bend	trans	-97.8	-165.7	173.9	0	0	0	0	0	111.8	W646 E650	W646-G648 VanDerWaalsContact CD1-O 3.27Å; W646-G648 VanDerWaalsContact NE1-C 3.26Å; W646-G648 PolarHBondContact NE1-O 2.89Å; G648-E650 PolarHBondContact O-N 3.48Å
649	D	92.9	Very high	90.5	Very high	92 Å²	92	74.1 Å²	74.1	49%	0.492	35%	0.347	S	S	.	.			trans	-53.1	135.2	168.9	164.4	58.7	0	0	0	111.7	W646 K651 Q652 G653	W646-D649 PolarHBondContact NE1-O 2.79Å; D649-K651 VanDerWaalsContact C-N 3.33Å; D649-K651 PolarHBondContact O-N 2.89Å; D649-K651 PolarHBondContact OD1-N 2.73Å; D649-K651 WeakPolarHBondContact OD2-CA 3.44Å; D649-K651 WeakPolarHBondContact OD2-CB 3.33Å; D649-K651 PolarHBondContact OD2-N 3.41Å; D649-K651 VanDerWaalsContact OD2-N 3.14Å; D649-Q652 HydrophobicContact CB-CB 4.45Å; D649-Q652 HydrophobicContact CB-CG 4.28Å; D649-Q652 PolarHBondContact O-N 2.81Å; D649-Q652 WeakPolarHBondContact OD2-CG 3.35Å; D649-Q652 PolarHBondContact OD2-N 2.83Å; D649-G653 PolarHBondContact O-N 2.94Å
650	E	92.7	Very high	90.5	Very high	64 Å²	64	75.9 Å²	75.9	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-35.7	-174.8	-56.7	-164.4	165.7	0	0	112.1	F628 R629 L632 G648 G653 V654	F628-E650 HydrophobicContact CB-CB 3.61Å; F628-E650 WeakPolarHBondContact CB-OE2 3.48Å; F628-E650 HydrophobicContact CD2-CB 4.29Å; F628-E650 HydrophobicContact CG-CB 4.36Å; R629-E650 WeakPolarHBondContact CA-OE2 3.47Å; R629-E650 VanDerWaalsContact CB-OE1 3.28Å; R629-E650 WeakPolarHBondContact CB-OE1 3.29Å; R629-E650 WeakPolarHBondContact CB-OE2 3.3Å; R629-E650 VanDerWaalsContact CD-OE1 3.28Å; R629-E650 WeakPolarHBondContact CD-OE1 3.33Å; R629-E650 WeakPolarHBondContact CG-OE1 3.41Å; R629-E650 PolarHBondContact N-OE2 2.99Å; L632-E650 HydrophobicContact CD1-CB 3.79Å; L632-E650 HydrophobicContact CD1-CG 4.18Å; G648-E650 PolarHBondContact O-N 3.48Å; E650-G653 PolarHBondContact O-N 2.91Å; E650-V654 WeakPolarHBondContact O-CG2 3.38Å; E650-V654 PolarHBondContact O-N 2.95Å
651	K	93.4	Very high	90.6	Very high	70 Å²	70	68 Å²	68	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-38.5	-179	-168.7	166.8	179.6	155.3	0	111.4	F628 D649 L655 L670 G671	F628-K651 HydrophobicContact CD2-CB 4.37Å; F628-K651 HydrophobicContact CE2-CB 4Å; F628-K651 HydrophobicContact CE2-CD 4.2Å; F628-K651 HydrophobicContact CE2-CG 4.18Å; F628-K651 HydrophobicContact CZ-CB 4.31Å; F628-K651 HydrophobicContact CZ-CD 4.09Å; F628-K651 HydrophobicContact CZ-CG 4.02Å; D649-K651 VanDerWaalsContact C-N 3.33Å; D649-K651 PolarHBondContact O-N 2.89Å; D649-K651 PolarHBondContact OD1-N 2.73Å; D649-K651 WeakPolarHBondContact OD2-CA 3.44Å; D649-K651 WeakPolarHBondContact OD2-CB 3.33Å; D649-K651 PolarHBondContact OD2-N 3.41Å; D649-K651 VanDerWaalsContact OD2-N 3.14Å; K651-L655 WeakPolarHBondContact O-CG 3.45Å; K651-L655 PolarHBondContact O-N 3.3Å; K651-L655 VanDerWaalsContact O-N 3.08Å; K651-L670 HydrophobicContact CD-CB 4.4Å; K651-L670 HydrophobicContact CG-CB 4.32Å; K651-L670 HydrophobicContact CG-CD1 4.08Å; K651-L670 PolarHBondContact NZ-O 2.78Å; K651-G671 PolarHBondContact NZ-O 2.78Å
652	Q	93.3	Very high	90.6	Very high	102 Å²	102	69.4 Å²	69.4	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-39.6	169.6	-64.6	-47.2	-47.8	0	0	112.8	W646 D649 V654 L655 H656	W646-Q652 HydrophobicContact CZ2-CB 4.34Å; D649-Q652 HydrophobicContact CB-CB 4.45Å; D649-Q652 HydrophobicContact CB-CG 4.28Å; D649-Q652 PolarHBondContact O-N 2.81Å; D649-Q652 WeakPolarHBondContact OD2-CG 3.35Å; D649-Q652 PolarHBondContact OD2-N 2.83Å; Q652-V654 VanDerWaalsContact C-N 3.32Å; Q652-V654 PolarHBondContact O-N 2.92Å; Q652-L655 PolarHBondContact O-N 3.44Å; Q652-H656 PolarHBondContact O-N 3.3Å
653	G	93.3	Very high	90.7	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-41.2	176.5	0	0	0	0	0	112.5	W646 D649 E650 H656 L657	W646-G653 VanDerWaalsContact CZ2-CA 3.45Å; D649-G653 PolarHBondContact O-N 2.94Å; E650-G653 PolarHBondContact O-N 2.91Å; G653-H656 PolarHBondContact O-N 3.29Å; G653-L657 PolarHBondContact O-N 3.43Å; G653-L657 VanDerWaalsContact O-N 3.14Å
654	V	93.8	Very high	90.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-45.7	175	172.9	0	0	0	0	110.7	F628 F631 L632 E650 Q652 H656 L657 L658 L670 I675	F628-V654 HydrophobicContact CB-CG2 3.95Å; F628-V654 HydrophobicContact CD1-CB 4.48Å; F628-V654 HydrophobicContact CD1-CG2 3.89Å; F628-V654 HydrophobicContact CG-CG2 4.24Å; F631-V654 HydrophobicContact CD1-CG1 4.2Å; F631-V654 HydrophobicContact CD1-CG2 3.91Å; F631-V654 HydrophobicContact CE1-CG1 4.1Å; L632-V654 HydrophobicContact CD1-CG2 4.34Å; L632-V654 HydrophobicContact CD2-CG2 4.41Å; L632-V654 HydrophobicContact CG-CG2 3.99Å; E650-V654 WeakPolarHBondContact O-CG2 3.38Å; E650-V654 PolarHBondContact O-N 2.95Å; Q652-V654 VanDerWaalsContact C-N 3.32Å; Q652-V654 PolarHBondContact O-N 2.92Å; V654-H656 VanDerWaalsContact C-N 3.29Å; V654-H656 PolarHBondContact O-N 2.92Å; V654-L657 PolarHBondContact O-N 2.83Å; V654-L657 VanDerWaalsContact O-N 3.16Å; V654-L658 HydrophobicContact CG1-CD1 4.01Å; V654-L658 HydrophobicContact CG1-CG 4.29Å; V654-L658 WeakPolarHBondContact O-CG 3.46Å; V654-L658 PolarHBondContact O-N 3.43Å; V654-L670 HydrophobicContact CG1-CD2 3.69Å; V654-I675 HydrophobicContact CG1-CB 4.17Å; V654-I675 HydrophobicContact CG1-CD1 3.72Å; V654-I675 HydrophobicContact CG1-CG1 4.39Å; V654-I675 HydrophobicContact CG1-CG2 4.5Å
655	L	93.8	Very high	90.9	Very high	30 Å²	30	73 Å²	73	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-57.4	-39.5	174.8	-76.7	167.5	0	0	0	113	K651 Q652 R659 F668 L670	K651-L655 WeakPolarHBondContact O-CG 3.45Å; K651-L655 PolarHBondContact O-N 3.3Å; K651-L655 VanDerWaalsContact O-N 3.08Å; Q652-L655 PolarHBondContact O-N 3.44Å; L655-R659 WeakPolarHBondContact O-CB 3.46Å; L655-R659 WeakPolarHBondContact O-CD 3.37Å; L655-R659 VanDerWaalsContact O-CG 3.23Å; L655-R659 WeakPolarHBondContact O-CG 3.08Å; L655-R659 PolarHBondContact O-N 2.92Å; L655-F668 HydrophobicContact CD2-CE2 4Å; L655-F668 HydrophobicContact CD2-CZ 4.2Å; L655-L670 HydrophobicContact CD1-CD1 4.16Å; L655-L670 HydrophobicContact CD2-CD1 3.54Å; L655-L670 HydrophobicContact CG-CD1 3.56Å
656	H	93.6	Very high	90.9	Very high	73 Å²	73	73.6 Å²	73.6	34%	0.338	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-45.8	175.3	178.9	75.5	0	0	0	112	T639 E641 W646 Q652 G653 V654 S660	T639-H656 WeakPolarHBondContact CB-NE2 3.42Å; T639-H656 WeakPolarHBondContact CG2-NE2 3.45Å; T639-H656 PolarHBondContact OG1-CD2 3.19Å; T639-H656 PolarHBondContact OG1-NE2 3.27Å; E641-H656 WeakPolarHBondContact CB-NE2 3.37Å; E641-H656 IonicContact OE2-CE1 3.74Å; E641-H656 IonicContact OE2-NE2 2.63Å; E641-H656 PolarHBondContact OE2-NE2 3.17Å; W646-H656 HydrophobicContact CH2-CB 4.36Å; W646-H656 HydrophobicContact CZ3-CB 4.43Å; Q652-H656 PolarHBondContact O-N 3.3Å; G653-H656 PolarHBondContact O-N 3.29Å; V654-H656 VanDerWaalsContact C-N 3.29Å; V654-H656 PolarHBondContact O-N 2.92Å; H656-S660 WeakPolarHBondContact O-CB 3.33Å; H656-S660 PolarHBondContact O-N 3.38Å
657	L	93.4	Very high	90.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-47.1	176.8	-72.2	173	0	0	0	112.5	F631 L632 Y635 L638 T639 G653 V654 R659 S660 V661	F631-L657 HydrophobicContact CD1-CD1 4.18Å; F631-L657 HydrophobicContact CE1-CB 4.43Å; F631-L657 HydrophobicContact CE1-CD1 4.03Å; L632-L657 HydrophobicContact CD2-CD1 3.69Å; Y635-L657 WeakPolarHBondContact O-CD2 3.46Å; L638-L657 HydrophobicContact CB-CD2 4Å; L638-L657 HydrophobicContact CD1-CD2 4.35Å; T639-L657 HydrophobicContact CG2-CD2 4.24Å; G653-L657 PolarHBondContact O-N 3.43Å; G653-L657 VanDerWaalsContact O-N 3.14Å; V654-L657 PolarHBondContact O-N 2.83Å; V654-L657 VanDerWaalsContact O-N 3.16Å; L657-R659 PolarHBondContact O-N 3.25Å; L657-S660 WeakPolarHBondContact O-CB 3.42Å; L657-S660 PolarHBondContact O-N 2.89Å; L657-S660 VanDerWaalsContact O-N 3.13Å; L657-S660 PolarHBondContact O-OG 2.87Å; L657-V661 PolarHBondContact O-N 2.95Å
658	L	92.7	Very high	90.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-41.2	-179.4	-63.4	177.4	0	0	0	112.2	F631 V654 S660 V661 N662 M663 F668 I675 L686	F631-L658 HydrophobicContact CZ-CD2 4.04Å; V654-L658 HydrophobicContact CG1-CD1 4.01Å; V654-L658 HydrophobicContact CG1-CG 4.29Å; V654-L658 WeakPolarHBondContact O-CG 3.46Å; V654-L658 PolarHBondContact O-N 3.43Å; L658-S660 VanDerWaalsContact C-N 3.3Å; L658-S660 PolarHBondContact O-N 2.92Å; L658-V661 VanDerWaalsContact O-CG2 3.29Å; L658-V661 WeakPolarHBondContact O-CG2 3.45Å; L658-V661 PolarHBondContact O-N 2.83Å; L658-N662 PolarHBondContact O-N 3.34Å; L658-M663 HydrophobicContact CB-CB 4.41Å; L658-M663 HydrophobicContact CD2-CE 3.87Å; L658-M663 HydrophobicContact CD2-SD 3.79Å; L658-M663 PolarHBondContact O-N 2.87Å; L658-M663 VanDerWaalsContact O-N 3.07Å; L658-F668 HydrophobicContact CB-CE1 4.43Å; L658-F668 HydrophobicContact CD1-CB 4.38Å; L658-F668 HydrophobicContact CD1-CD1 3.87Å; L658-F668 HydrophobicContact CD1-CD2 3.42Å; L658-F668 VanDerWaalsContact CD1-CD2 3.42Å; L658-F668 HydrophobicContact CD1-CE1 3.92Å; L658-F668 HydrophobicContact CD1-CE2 3.49Å; L658-F668 VanDerWaalsContact CD1-CE2 3.49Å; L658-F668 HydrophobicContact CD1-CG 3.62Å; L658-F668 HydrophobicContact CD1-CZ 3.74Å; L658-I675 HydrophobicContact CD1-CD1 3.81Å; L658-I675 HydrophobicContact CD2-CD1 3.97Å; L658-I675 HydrophobicContact CG-CD1 4.31Å; L658-L686 HydrophobicContact CD2-CD1 4.23Å; L658-L686 HydrophobicContact CD2-CD2 4.4Å
659	R	91.4	Very high	91	Very high	170 Å²	170	62.8 Å²	62.8	64%	0.642	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-36.7	172.5	-72.5	169.2	179.2	166.2	0.1	112	L655 L657 V661 N662	L655-R659 WeakPolarHBondContact O-CB 3.46Å; L655-R659 WeakPolarHBondContact O-CD 3.37Å; L655-R659 VanDerWaalsContact O-CG 3.23Å; L655-R659 WeakPolarHBondContact O-CG 3.08Å; L655-R659 PolarHBondContact O-N 2.92Å; L657-R659 PolarHBondContact O-N 3.25Å; R659-V661 PolarHBondContact O-N 2.82Å; R659-N662 PolarHBondContact O-N 2.91Å
660	S	89.9	Confident	91	Very high	54 Å²	54	59.8 Å²	59.8	38%	0.378	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-17.4	-179.3	80.8	0	0	0	0	115	T639 H656 L657 L658	T639-S660 VanDerWaalsContact CG2-OG 3.28Å; T639-S660 WeakPolarHBondContact CG2-OG 3.28Å; H656-S660 WeakPolarHBondContact O-CB 3.33Å; H656-S660 PolarHBondContact O-N 3.38Å; L657-S660 WeakPolarHBondContact O-CB 3.42Å; L657-S660 PolarHBondContact O-N 2.89Å; L657-S660 VanDerWaalsContact O-N 3.13Å; L657-S660 PolarHBondContact O-OG 2.87Å; L658-S660 VanDerWaalsContact C-N 3.3Å; L658-S660 PolarHBondContact O-N 2.92Å
661	V	89.1	Confident	91	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.085	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.4	173	-58.4	0	0	0	0	113.3	L638 L657 L658 R659 M663 L685 L686 T689	L638-V661 HydrophobicContact CD1-CG1 4Å; L657-V661 PolarHBondContact O-N 2.95Å; L658-V661 VanDerWaalsContact O-CG2 3.29Å; L658-V661 WeakPolarHBondContact O-CG2 3.45Å; L658-V661 PolarHBondContact O-N 2.83Å; R659-V661 PolarHBondContact O-N 2.82Å; V661-M663 HydrophobicContact CG2-CB 4.17Å; V661-L685 HydrophobicContact CB-CG 4.49Å; V661-L686 HydrophobicContact CG1-CD2 4.13Å; V661-L686 HydrophobicContact CG2-CD2 3.73Å; V661-L686 HydrophobicContact CG2-CG 4.4Å; V661-T689 HydrophobicContact CG1-CG2 4.14Å
662	N	89.3	Confident	90.9	Very high	139 Å²	139	60.5 Å²	60.5	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	46.7	-172.7	-53	-49.2	0	0	0	113.5	L658 R659	L658-N662 PolarHBondContact O-N 3.34Å; R659-N662 PolarHBondContact O-N 2.91Å
663	M	89.5	Confident	90.8	Very high	17 Å²	17	58.9 Å²	58.9	8%	0.084	29%	0.29	C	S	.	.			trans	-75.3	126.6	173.5	-172	174.6	-60.2	0	0	111.3	L658 V661 Q667 F668 I677 S682 L686	L658-M663 HydrophobicContact CB-CB 4.41Å; L658-M663 HydrophobicContact CD2-CE 3.87Å; L658-M663 HydrophobicContact CD2-SD 3.79Å; L658-M663 PolarHBondContact O-N 2.87Å; L658-M663 VanDerWaalsContact O-N 3.07Å; V661-M663 HydrophobicContact CG2-CB 4.17Å; M663-Q667 HydrophobicContact CG-CB 4.1Å; M663-Q667 HydrophobicContact SD-CB 4.41Å; M663-F668 HydrophobicContact CG-CD1 4.01Å; M663-F668 HydrophobicContact SD-CB 4.22Å; M663-F668 HydrophobicContact SD-CD1 3.91Å; M663-F668 HydrophobicContact SD-CG 4.43Å; M663-I677 HydrophobicContact CE-CD1 4.41Å; M663-S682 WeakPolarHBondContact CE-O 3.44Å; M663-L686 HydrophobicContact CE-CD1 3.61Å; M663-L686 HydrophobicContact CE-CD2 4.42Å; M663-L686 HydrophobicContact CE-CG 3.8Å
664	D	87.9	Confident	90.7	Very high	111 Å²	111	61 Å²	61	59%	0.594	30%	0.299	S	S	*	.			trans	-64.3	146.7	178.4	-63.5	-60	0	0	0	112.8	D666 Q667 F668	D664-D666 VanDerWaalsContact C-N 3.29Å; D664-D666 PolarHBondContact O-N 2.74Å; D664-Q667 HydrophobicContact CB-CG 4.03Å; D664-Q667 WeakPolarHBondContact O-CB 3.34Å; D664-Q667 PolarHBondContact O-N 2.67Å; D664-Q667 VanDerWaalsContact O-N 3.13Å; D664-F668 WeakPolarHBondContact O-CD1 3.2Å
665	Q	86	Confident	90.5	Very high	170 Å²	170	61 Å²	61	79%	0.794	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.1	-168.3	-168.5	170.7	-6.3	0	0	114.3
666	D	86.6	Confident	90.3	Very high	91 Å²	91	59.5 Å²	59.5	49%	0.487	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.2	173	85.5	-59.4	0	0	0	112.9	D664 K678	D664-D666 VanDerWaalsContact C-N 3.29Å; D664-D666 PolarHBondContact O-N 2.74Å; D666-K678 WeakPolarHBondContact O-CD 3.31Å; D666-K678 IonicContact OD2-NZ 3.71Å; D666-K678 PolarHBondContact OD2-NZ 3.38Å
667	Q	86.3	Confident	89.9	Confident	38 Å²	38	56 Å²	56	18%	0.178	28%	0.276	C	S	.	.	S	Bend	trans	-84.4	-8.2	-178	-58.7	-55.5	-43.7	0	0	113.6	M663 D664 I677 K678 A679 S682	M663-Q667 HydrophobicContact CG-CB 4.1Å; M663-Q667 HydrophobicContact SD-CB 4.41Å; D664-Q667 HydrophobicContact CB-CG 4.03Å; D664-Q667 WeakPolarHBondContact O-CB 3.34Å; D664-Q667 PolarHBondContact O-N 2.67Å; D664-Q667 VanDerWaalsContact O-N 3.13Å; Q667-I677 WeakPolarHBondContact O-CA 3.31Å; Q667-K678 WeakPolarHBondContact O-CB 3.41Å; Q667-K678 PolarHBondContact O-N 2.84Å; Q667-A679 VanDerWaalsContact OE1-CB 3.23Å; Q667-S682 WeakPolarHBondContact CB-OG 3.31Å
668	F	90.6	Very high	89.3	Confident	24 Å²	24	60.9 Å²	60.9	11%	0.105	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.6	177.4	71.4	-88.4	0	0	0	112.9	L655 L658 M663 D664 L670 F676 I677	L655-F668 HydrophobicContact CD2-CE2 4Å; L655-F668 HydrophobicContact CD2-CZ 4.2Å; L658-F668 HydrophobicContact CB-CE1 4.43Å; L658-F668 HydrophobicContact CD1-CB 4.38Å; L658-F668 HydrophobicContact CD1-CD1 3.87Å; L658-F668 HydrophobicContact CD1-CD2 3.42Å; L658-F668 VanDerWaalsContact CD1-CD2 3.42Å; L658-F668 HydrophobicContact CD1-CE1 3.92Å; L658-F668 HydrophobicContact CD1-CE2 3.49Å; L658-F668 VanDerWaalsContact CD1-CE2 3.49Å; L658-F668 HydrophobicContact CD1-CG 3.62Å; L658-F668 HydrophobicContact CD1-CZ 3.74Å; M663-F668 HydrophobicContact CG-CD1 4.01Å; M663-F668 HydrophobicContact SD-CB 4.22Å; M663-F668 HydrophobicContact SD-CD1 3.91Å; M663-F668 HydrophobicContact SD-CG 4.43Å; D664-F668 WeakPolarHBondContact O-CD1 3.2Å; F668-L670 HydrophobicContact CD2-CD2 4.18Å; F668-L670 HydrophobicContact CD2-CG 4.03Å; F668-L670 HydrophobicContact CE2-CD1 4.12Å; F668-L670 HydrophobicContact CE2-CG 4.11Å; F668-F676 CarbonylContact C-O 3.58Å; F668-F676 WeakPolarHBondContact CA-O 3.15Å; F668-F676 WeakPolarHBondContact CB-O 3.28Å; F668-I677 HydrophobicContact CB-CG1 4.41Å
669	Q	92.3	Very high	88.4	Confident	59 Å²	59	61.8 Å²	61.8	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.5	164.3	-67.5	-162.8	34	0	0	110.6	I433 K434 Y622 F676	I433-Q669 HydrophobicContact CB-CB 4.5Å; I433-Q669 HydrophobicContact CG2-CB 4.43Å; K434-Q669 PolarHBondContact O-NE2 2.89Å; Y622-Q669 HydrophobicContact CE1-CB 4.21Å; Y622-Q669 HydrophobicContact CE1-CG 4.19Å; Y622-Q669 PolarHBondContact OH-NE2 3.11Å; Q669-F676 PolarHBondContact N-O 3.09Å; Q669-F676 PolarHBondContact O-N 2.78Å
670	L	92.9	Very high	87.1	Confident	29 Å²	29	54.8 Å²	54.8	15%	0.152	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.3	-176.5	-57.1	174.6	0	0	0	108.9	F628 K651 V654 L655 F668 I675	F628-L670 HydrophobicContact CE1-CB 4.19Å; F628-L670 HydrophobicContact CE1-CD2 3.85Å; F628-L670 HydrophobicContact CZ-CB 4.19Å; K651-L670 HydrophobicContact CD-CB 4.4Å; K651-L670 HydrophobicContact CG-CB 4.32Å; K651-L670 HydrophobicContact CG-CD1 4.08Å; K651-L670 PolarHBondContact NZ-O 2.78Å; V654-L670 HydrophobicContact CG1-CD2 3.69Å; L655-L670 HydrophobicContact CD1-CD1 4.16Å; L655-L670 HydrophobicContact CD2-CD1 3.54Å; L655-L670 HydrophobicContact CG-CD1 3.56Å; F668-L670 HydrophobicContact CD2-CD2 4.18Å; F668-L670 HydrophobicContact CD2-CG 4.03Å; F668-L670 HydrophobicContact CE2-CD1 4.12Å; F668-L670 HydrophobicContact CE2-CG 4.11Å; L670-I675 HydrophobicContact CD2-CB 3.72Å; L670-I675 HydrophobicContact CD2-CD1 4.18Å; L670-I675 HydrophobicContact CD2-CG1 3.78Å
671	G	92.1	Very high	86.1	Confident	4 Å²	4	57.4 Å²	57.4	4%	0.041	29%	0.287	C	S	.	.			trans	-74	-149.3	178.2	0	0	0	0	0	113.2	E431 K651 K674	E431-G671 CarbonylContact O-C 3.58Å; E431-G671 VanDerWaalsContact O-CA 3.22Å; E431-G671 WeakPolarHBondContact O-CA 3.29Å; E431-G671 WeakPolarHBondContact OE2-CA 3.43Å; K651-G671 PolarHBondContact NZ-O 2.78Å; G671-K674 PolarHBondContact N-O 2.69Å
672	K	91.6	Very high	85.7	Confident	146 Å²	146	57.4 Å²	57.4	64%	0.635	29%	0.288	S	S	*	.	S	Bend	trans	-80	-40	176.3	-66.6	170.3	-164.8	164.3	0	111.7	Q430 E431	Q430-K672 VanDerWaalsContact O-CD 3.32Å; Q430-K672 WeakPolarHBondContact O-CD 3.41Å; Q430-K672 VanDerWaalsContact O-CE 3.27Å; Q430-K672 WeakPolarHBondContact O-CE 3.32Å; Q430-K672 PolarHBondContact O-NZ 3.49Å; E431-K672 PolarHBondContact O-N 2.91Å; E431-K672 VanDerWaalsContact O-N 3.16Å; E431-K672 PolarHBondContact OE2-N 3.07Å
673	T	90.4	Very high	85	Confident	67 Å²	67	51.6 Å²	51.6	41%	0.411	26%	0.257	S	S	.	.	S	Bend	trans	-130.2	-15.6	-177.9	84.5	0	0	0	0	114	E431 V627 F628	E431-T673 WeakPolarHBondContact OE1-CB 3.2Å; E431-T673 PolarHBondContact OE1-N 2.67Å; E431-T673 PolarHBondContact OE1-OG1 3.47Å; E431-T673 PolarHBondContact OE2-N 2.94Å; V627-T673 WeakPolarHBondContact CA-O 3.27Å; F628-T673 WeakPolarHBondContact CD2-O 3.37Å; F628-T673 WeakPolarHBondContact CG-O 3.33Å; F628-T673 PolarHBondContact N-O 3.03Å
674	K	90.9	Very high	84.2	Confident	44 Å²	44	54.8 Å²	54.8	19%	0.191	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.2	-173.2	-66.1	161.9	-164.9	169	0	113.3	E427 E431 R626 V627 F628 G671 F676	E427-K674 WeakPolarHBondContact OE1-CD 3.37Å; E427-K674 WeakPolarHBondContact OE1-CE 3.44Å; E427-K674 IonicContact OE1-NZ 3.04Å; E427-K674 PolarHBondContact OE1-NZ 2.77Å; E431-K674 HydrophobicContact CG-CB 4.5Å; E431-K674 HydrophobicContact CG-CD 4.11Å; E431-K674 WeakPolarHBondContact OE1-CD 3.41Å; E431-K674 PolarHBondContact OE2-N 3.03Å; R626-K674 CarbonylContact O-C 3.54Å; R626-K674 VanDerWaalsContact O-CA 3.27Å; R626-K674 WeakPolarHBondContact O-CA 3.38Å; V627-K674 HydrophobicContact CG2-CG 4.01Å; F628-K674 WeakPolarHBondContact CE1-O 3.23Å; F628-K674 WeakPolarHBondContact CZ-O 3.23Å; G671-K674 PolarHBondContact N-O 2.69Å; K674-F676 HydrophobicContact CB-CD2 4.31Å; K674-F676 HydrophobicContact CB-CE2 3.61Å; K674-F676 HydrophobicContact CB-CZ 3.92Å; K674-F676 HydrophobicContact CD-CZ 4.27Å
675	I	90.4	Very high	83.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.1	160.4	171.7	174.7	0	0	0	108.9	R625 R626 F628 F631 V654 L658 L670 I677	R625-I675 WeakPolarHBondContact CA-O 3.46Å; R626-I675 HydrophobicContact CB-CG2 4.38Å; R626-I675 PolarHBondContact N-O 2.67Å; R626-I675 VanDerWaalsContact O-CG2 3.27Å; R626-I675 WeakPolarHBondContact O-CG2 3.14Å; R626-I675 PolarHBondContact O-N 3.19Å; F628-I675 HydrophobicContact CD1-CB 4.14Å; F628-I675 HydrophobicContact CD1-CG2 4.35Å; F628-I675 HydrophobicContact CE1-CB 4.12Å; F628-I675 VanDerWaalsContact CE1-N 3.27Å; F631-I675 HydrophobicContact CB-CG2 3.94Å; F631-I675 HydrophobicContact CD1-CG2 4.44Å; F631-I675 HydrophobicContact CD2-CD1 4.37Å; F631-I675 HydrophobicContact CD2-CG2 3.64Å; F631-I675 HydrophobicContact CE1-CD1 4.31Å; F631-I675 HydrophobicContact CE2-CD1 3.87Å; F631-I675 HydrophobicContact CE2-CG2 4.2Å; F631-I675 HydrophobicContact CG-CG2 3.76Å; F631-I675 HydrophobicContact CZ-CD1 3.82Å; V654-I675 HydrophobicContact CG1-CB 4.17Å; V654-I675 HydrophobicContact CG1-CD1 3.72Å; V654-I675 HydrophobicContact CG1-CG1 4.39Å; V654-I675 HydrophobicContact CG1-CG2 4.5Å; L658-I675 HydrophobicContact CD1-CD1 3.81Å; L658-I675 HydrophobicContact CD2-CD1 3.97Å; L658-I675 HydrophobicContact CG-CD1 4.31Å; L670-I675 HydrophobicContact CD2-CB 3.72Å; L670-I675 HydrophobicContact CD2-CD1 4.18Å; L670-I675 HydrophobicContact CD2-CG1 3.78Å; I675-I677 HydrophobicContact CD1-CD1 4.06Å; I675-I677 HydrophobicContact CD1-CG1 3.83Å; I675-I677 HydrophobicContact CG1-CG1 4.05Å
676	F	89.1	Confident	83.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.7	173.1	-64.1	-93.1	0	0	0	108.6	E427 Y428 E431 I433 Y622 Y624 R625 F668 Q669 K674	E427-F676 HydrophobicContact CG-CZ 4.41Å; E427-F676 WeakPolarHBondContact OE2-CE1 3.43Å; Y428-F676 HydrophobicContact CD1-CD1 4.27Å; Y428-F676 AromaticContact CD1-CE1 3.78Å; Y428-F676 HydrophobicContact CD1-CE1 3.78Å; Y428-F676 HydrophobicContact CD1-CZ 4.37Å; Y428-F676 AromaticContact CE1-CD1 3.89Å; Y428-F676 HydrophobicContact CE1-CD1 3.89Å; Y428-F676 AromaticContact CE1-CE1 3.66Å; Y428-F676 HydrophobicContact CE1-CE1 3.66Å; E431-F676 HydrophobicContact CB-CE2 3.85Å; E431-F676 HydrophobicContact CB-CZ 3.99Å; E431-F676 HydrophobicContact CG-CE2 3.97Å; E431-F676 HydrophobicContact CG-CZ 3.87Å; I433-F676 HydrophobicContact CD1-CB 4.44Å; I433-F676 HydrophobicContact CD1-CD1 3.9Å; I433-F676 HydrophobicContact CD1-CD2 3.89Å; I433-F676 HydrophobicContact CD1-CE1 4.08Å; I433-F676 HydrophobicContact CD1-CE2 4.05Å; I433-F676 HydrophobicContact CD1-CG 3.81Å; I433-F676 HydrophobicContact CD1-CZ 4.14Å; I433-F676 HydrophobicContact CG2-CD2 3.77Å; I433-F676 HydrophobicContact CG2-CE2 3.89Å; Y622-F676 HydrophobicContact CD1-CB 3.56Å; Y622-F676 HydrophobicContact CD2-CB 4.15Å; Y622-F676 HydrophobicContact CD2-CD1 4.17Å; Y622-F676 HydrophobicContact CD2-CG 4.46Å; Y622-F676 HydrophobicContact CE1-CB 4.01Å; Y622-F676 HydrophobicContact CG-CB 3.63Å; Y622-F676 HydrophobicContact CG-CD1 4.19Å; Y622-F676 HydrophobicContact CG-CG 4.33Å; Y624-F676 CarbonylContact O-C 3.59Å; Y624-F676 WeakPolarHBondContact O-CA 3.32Å; R625-F676 HydrophobicContact CB-CD1 3.77Å; R625-F676 HydrophobicContact CB-CE1 3.79Å; F668-F676 CarbonylContact C-O 3.58Å; F668-F676 WeakPolarHBondContact CA-O 3.15Å; F668-F676 WeakPolarHBondContact CB-O 3.28Å; Q669-F676 PolarHBondContact N-O 3.09Å; Q669-F676 PolarHBondContact O-N 2.78Å; K674-F676 HydrophobicContact CB-CD2 4.31Å; K674-F676 HydrophobicContact CB-CE2 3.61Å; K674-F676 HydrophobicContact CB-CZ 3.92Å; K674-F676 HydrophobicContact CD-CZ 4.27Å
677	I	85.3	Confident	83.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130	175.5	-59.7	175.9	0	0	0	107.5	Y622 A623 Y624 F631 M663 Q667 F668 I675 L683 L686	Y622-I677 CarbonylContact C-O 3.49Å; Y622-I677 WeakPolarHBondContact CB-O 3.31Å; A623-I677 PolarHBondContact N-O 3.45Å; Y624-I677 HydrophobicContact CD1-CB 4.48Å; Y624-I677 HydrophobicContact CD1-CD1 3.98Å; Y624-I677 HydrophobicContact CD1-CG1 4.28Å; Y624-I677 HydrophobicContact CE1-CD1 4.47Å; Y624-I677 PolarHBondContact N-O 3.06Å; Y624-I677 VanDerWaalsContact N-O 3.08Å; Y624-I677 PolarHBondContact O-N 2.81Å; F631-I677 HydrophobicContact CE2-CD1 4.13Å; M663-I677 HydrophobicContact CE-CD1 4.41Å; Q667-I677 WeakPolarHBondContact O-CA 3.31Å; F668-I677 HydrophobicContact CB-CG1 4.41Å; I675-I677 HydrophobicContact CD1-CD1 4.06Å; I675-I677 HydrophobicContact CD1-CG1 3.83Å; I675-I677 HydrophobicContact CG1-CG1 4.05Å; I677-L683 HydrophobicContact CD1-CD1 4.39Å; I677-L686 HydrophobicContact CD1-CD1 3.65Å
678	K	80.2	Confident	82.9	Confident	101 Å²	101	41.5 Å²	41.5	44%	0.439	20%	0.204	S	C	.	.	S	Bend	trans	-78.1	-53.8	-168.7	-175	-177.7	174.2	-169.4	0	111.9	Y622 A623 D666 Q667	Y622-K678 HydrophobicContact CD1-CB 4.16Å; Y622-K678 HydrophobicContact CE1-CB 4.43Å; A623-K678 VanDerWaalsContact CB-O 3.25Å; A623-K678 WeakPolarHBondContact CB-O 3.48Å; A623-K678 PolarHBondContact N-O 2.97Å; D666-K678 WeakPolarHBondContact O-CD 3.31Å; D666-K678 IonicContact OD2-NZ 3.71Å; D666-K678 PolarHBondContact OD2-NZ 3.38Å; Q667-K678 WeakPolarHBondContact O-CB 3.41Å; Q667-K678 PolarHBondContact O-N 2.84Å
679	A	74.6	Confident	82.6	Confident	19 Å²	19	41.8 Å²	41.8	16%	0.157	21%	0.207	C	C	.	.			trans	-102.2	137.3	-177	0	0	0	0	0	112.2	Q667 E681 S682	Q667-A679 VanDerWaalsContact OE1-CB 3.23Å; A679-E681 PolarHBondContact O-N 3.16Å; A679-S682 PolarHBondContact O-N 3.16Å
680	P	64.5	Low	82.3	Confident	24 Å²	24	40.9 Å²	40.9	16%	0.156	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-34.3	174.1	-25.2	34.5	0	0	0	113.6	V25 L26 A623 S682 L683 F684	V25-P680 HydrophobicContact CG1-CG 4.5Å; L26-P680 HydrophobicContact CD2-CB 3.98Å; L26-P680 HydrophobicContact CD2-CG 3.76Å; A623-P680 HydrophobicContact CB-CG 3.74Å; P680-S682 PolarHBondContact O-N 3.26Å; P680-L683 WeakPolarHBondContact O-CA 3.35Å; P680-L683 WeakPolarHBondContact O-CB 3.37Å; P680-L683 PolarHBondContact O-N 2.83Å; P680-F684 HydrophobicContact CB-CE2 3.93Å; P680-F684 HydrophobicContact CB-CZ 4.06Å; P680-F684 WeakPolarHBondContact O-CD2 3.46Å; P680-F684 WeakPolarHBondContact O-CG 3.34Å; P680-F684 PolarHBondContact O-N 3.38Å
681	E	68.9	Low	81.7	Confident	109 Å²	109	44.2 Å²	44.2	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-37.5	178.7	-65	81.6	176.1	0	0	112.1	A679 F684 L685	A679-E681 PolarHBondContact O-N 3.16Å; E681-F684 PolarHBondContact O-N 2.77Å; E681-L685 PolarHBondContact O-N 2.71Å; E681-L685 VanDerWaalsContact O-N 3.11Å
682	S	79.9	Confident	81.4	Confident	14 Å²	14	51 Å²	51	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-71.5	-28.4	176.5	-53.9	0	0	0	0	112.7	M663 Q667 A679 P680	M663-S682 WeakPolarHBondContact CE-O 3.44Å; Q667-S682 WeakPolarHBondContact CB-OG 3.31Å; A679-S682 PolarHBondContact O-N 3.16Å; P680-S682 PolarHBondContact O-N 3.26Å
683	L	74.5	Confident	81.2	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-71.9	-43.1	169.8	-179	69.4	0	0	0	111.2	Y624 I677 P680 L685 L686 E687	Y624-L683 HydrophobicContact CD1-CD1 4.06Å; Y624-L683 HydrophobicContact CD2-CD1 3.77Å; Y624-L683 HydrophobicContact CD2-CD2 3.56Å; Y624-L683 HydrophobicContact CD2-CG 4.31Å; Y624-L683 HydrophobicContact CE1-CD1 4.17Å; Y624-L683 HydrophobicContact CE2-CD1 3.86Å; Y624-L683 HydrophobicContact CE2-CD2 4.18Å; Y624-L683 HydrophobicContact CG-CD1 3.85Å; Y624-L683 HydrophobicContact CG-CD2 3.99Å; Y624-L683 HydrophobicContact CG-CG 4.47Å; I677-L683 HydrophobicContact CD1-CD1 4.39Å; P680-L683 WeakPolarHBondContact O-CA 3.35Å; P680-L683 WeakPolarHBondContact O-CB 3.37Å; P680-L683 PolarHBondContact O-N 2.83Å; L683-L685 VanDerWaalsContact C-N 3.27Å; L683-L685 PolarHBondContact O-N 3.31Å; L683-L686 WeakPolarHBondContact O-CB 3.04Å; L683-L686 PolarHBondContact O-N 3.16Å; L683-L686 VanDerWaalsContact O-N 3.08Å; L683-E687 PolarHBondContact O-N 2.89Å; L683-E687 VanDerWaalsContact O-N 3.16Å
684	F	73.4	Confident	81	Confident	84 Å²	84	49.1 Å²	49.1	37%	0.368	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-36.3	178.5	-58.2	-37	0	0	0	112.2	P680 E681 L686 E687 E688	P680-F684 HydrophobicContact CB-CE2 3.93Å; P680-F684 HydrophobicContact CB-CZ 4.06Å; P680-F684 WeakPolarHBondContact O-CD2 3.46Å; P680-F684 WeakPolarHBondContact O-CG 3.34Å; P680-F684 PolarHBondContact O-N 3.38Å; E681-F684 PolarHBondContact O-N 2.77Å; F684-L686 VanDerWaalsContact C-N 3.33Å; F684-L686 PolarHBondContact O-N 3.49Å; F684-E687 PolarHBondContact O-N 3.44Å; F684-E688 WeakPolarHBondContact O-CB 3.11Å; F684-E688 PolarHBondContact O-N 3.15Å
685	L	81.1	Confident	80.5	Confident	65 Å²	65	50.4 Å²	50.4	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-39.4	173.1	178.1	62	0	0	0	113.1	V661 E681 L683 T689	V661-L685 HydrophobicContact CB-CG 4.49Å; E681-L685 PolarHBondContact O-N 2.71Å; E681-L685 VanDerWaalsContact O-N 3.11Å; L683-L685 VanDerWaalsContact C-N 3.27Å; L683-L685 PolarHBondContact O-N 3.31Å; L685-T689 WeakPolarHBondContact O-CB 3.29Å; L685-T689 PolarHBondContact O-N 2.69Å; L685-T689 PolarHBondContact O-OG1 2.91Å
686	L	81.6	Confident	80.4	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-43.7	177	-74.5	164.1	0	0	0	111.8	F631 Y635 L638 L658 V661 M663 I677 L683 F684 R690	F631-L686 HydrophobicContact CE2-CD1 4.02Å; F631-L686 HydrophobicContact CZ-CD1 3.75Å; F631-L686 HydrophobicContact CZ-CD2 4.48Å; Y635-L686 HydrophobicContact CD1-CB 4.23Å; Y635-L686 HydrophobicContact CE1-CB 3.83Å; L638-L686 HydrophobicContact CD1-CD2 3.91Å; L658-L686 HydrophobicContact CD2-CD1 4.23Å; L658-L686 HydrophobicContact CD2-CD2 4.4Å; V661-L686 HydrophobicContact CG1-CD2 4.13Å; V661-L686 HydrophobicContact CG2-CD2 3.73Å; V661-L686 HydrophobicContact CG2-CG 4.4Å; M663-L686 HydrophobicContact CE-CD1 3.61Å; M663-L686 HydrophobicContact CE-CD2 4.42Å; M663-L686 HydrophobicContact CE-CG 3.8Å; I677-L686 HydrophobicContact CD1-CD1 3.65Å; L683-L686 WeakPolarHBondContact O-CB 3.04Å; L683-L686 PolarHBondContact O-N 3.16Å; L683-L686 VanDerWaalsContact O-N 3.08Å; F684-L686 VanDerWaalsContact C-N 3.33Å; F684-L686 PolarHBondContact O-N 3.49Å; L686-R690 VanDerWaalsContact O-CB 3.25Å; L686-R690 WeakPolarHBondContact O-CB 3.36Å; L686-R690 PolarHBondContact O-N 3.31Å
687	E	78.1	Confident	80.4	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-47.3	179.1	-68.3	-63.4	167.2	0	0	112.3	Y82 R634 Y635 L683 F684 T689 R690 E691	Y82-E687 HydrophobicContact CE2-CG 4.01Å; Y82-E687 PolarHBondContact OH-OE1 3.25Å; R634-E687 IonicContact CZ-OE1 3.82Å; R634-E687 VanDerWaalsContact CZ-OE1 3.25Å; R634-E687 IonicContact CZ-OE2 3.76Å; R634-E687 IonicContact NE-OE1 3.49Å; R634-E687 PolarHBondContact NE-OE1 2.74Å; R634-E687 IonicContact NE-OE2 2.7Å; R634-E687 IonicContact NH2-OE1 2.62Å; R634-E687 PolarHBondContact NH2-OE1 3.22Å; R634-E687 IonicContact NH2-OE2 3.63Å; R634-E687 PolarHBondContact NH2-OE2 3.04Å; Y635-E687 HydrophobicContact CE1-CG 4.43Å; Y635-E687 WeakPolarHBondContact CE1-OE1 3.31Å; Y635-E687 PolarHBondContact OH-OE1 3.35Å; L683-E687 PolarHBondContact O-N 2.89Å; L683-E687 VanDerWaalsContact O-N 3.16Å; F684-E687 PolarHBondContact O-N 3.44Å; E687-T689 VanDerWaalsContact C-N 3.26Å; E687-T689 PolarHBondContact O-N 3.09Å; E687-R690 CarbonylContact O-C 3.58Å; E687-R690 WeakPolarHBondContact O-CA 3.44Å; E687-R690 WeakPolarHBondContact O-CB 3.29Å; E687-R690 PolarHBondContact O-N 3.14Å; E687-R690 WeakPolarHBondContact OE2-CD 3.48Å; E687-R690 IonicContact OE2-CZ 2.78Å; E687-R690 IonicContact OE2-NE 2.71Å; E687-R690 IonicContact OE2-NH1 2.73Å; E687-R690 PolarHBondContact OE2-NH1 2.9Å; E687-E691 WeakPolarHBondContact O-CG 3.35Å; E687-E691 PolarHBondContact O-N 3.26Å
688	E	77.9	Confident	80.5	Confident	57 Å²	57	59.2 Å²	59.2	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-38.8	179	-162.3	-161.8	-173.5	0	0	111	F684 R690 E691 R692	F684-E688 WeakPolarHBondContact O-CB 3.11Å; F684-E688 PolarHBondContact O-N 3.15Å; E688-R690 VanDerWaalsContact C-N 3.31Å; E688-R690 PolarHBondContact O-N 3.48Å; E688-E691 PolarHBondContact O-N 2.8Å; E688-R692 WeakPolarHBondContact O-CB 3.41Å; E688-R692 WeakPolarHBondContact O-CD 3.45Å; E688-R692 WeakPolarHBondContact O-CG 3.33Å; E688-R692 PolarHBondContact O-N 2.94Å; E688-R692 IonicContact OE1-CZ 2.77Å; E688-R692 IonicContact OE1-NE 3.83Å; E688-R692 IonicContact OE1-NH2 3.69Å; E688-R692 PolarHBondContact OE1-NH2 2.68Å; E688-R692 IonicContact OE2-CZ 3.72Å; E688-R692 IonicContact OE2-NE 2.69Å; E688-R692 IonicContact OE2-NH1 2.91Å; E688-R692 IonicContact OE2-NH2 2.64Å; E688-R692 PolarHBondContact OE2-NH2 3.23Å
689	T	85.4	Confident	80.9	Confident	29 Å²	29	62 Å²	62	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-32.7	175.3	-51.2	0	0	0	0	111.9	L638 V661 L685 E687 K693	L638-T689 HydrophobicContact CD2-CG2 3.76Å; V661-T689 HydrophobicContact CG1-CG2 4.14Å; L685-T689 WeakPolarHBondContact O-CB 3.29Å; L685-T689 PolarHBondContact O-N 2.69Å; L685-T689 PolarHBondContact O-OG1 2.91Å; E687-T689 VanDerWaalsContact C-N 3.26Å; E687-T689 PolarHBondContact O-N 3.09Å; T689-K693 VanDerWaalsContact O-CG 3.25Å; T689-K693 WeakPolarHBondContact O-CG 3.34Å; T689-K693 PolarHBondContact O-N 2.86Å
690	R	85.6	Confident	81.7	Confident	40 Å²	40	65.4 Å²	65.4	15%	0.151	32%	0.315	C	S	.	.	H	α-helix	trans	-71.1	-43.5	175.6	168.9	176.7	167.5	-74.3	-10.6	111.7	R634 Y635 I637 L638 L686 E687 E688 K693 F694	R634-R690 WeakPolarHBondContact O-CD 3.46Å; R634-R690 PolarHBondContact O-NE 3.08Å; R634-R690 VanDerWaalsContact O-NE 3.09Å; Y635-R690 HydrophobicContact CD1-CB 4.39Å; I637-R690 HydrophobicContact CG2-CB 4.48Å; I637-R690 HydrophobicContact CG2-CG 3.86Å; L638-R690 HydrophobicContact CD2-CB 3.97Å; L686-R690 VanDerWaalsContact O-CB 3.25Å; L686-R690 WeakPolarHBondContact O-CB 3.36Å; L686-R690 PolarHBondContact O-N 3.31Å; E687-R690 CarbonylContact O-C 3.58Å; E687-R690 WeakPolarHBondContact O-CA 3.44Å; E687-R690 WeakPolarHBondContact O-CB 3.29Å; E687-R690 PolarHBondContact O-N 3.14Å; E687-R690 WeakPolarHBondContact OE2-CD 3.48Å; E687-R690 IonicContact OE2-CZ 2.78Å; E687-R690 IonicContact OE2-NE 2.71Å; E687-R690 IonicContact OE2-NH1 2.73Å; E687-R690 PolarHBondContact OE2-NH1 2.9Å; E688-R690 VanDerWaalsContact C-N 3.31Å; E688-R690 PolarHBondContact O-N 3.48Å; R690-K693 WeakPolarHBondContact O-CB 3.47Å; R690-K693 PolarHBondContact O-N 2.9Å; R690-F694 HydrophobicContact CG-CD2 4.05Å; R690-F694 HydrophobicContact CG-CE2 3.76Å; R690-F694 VanDerWaalsContact O-CD2 3.3Å; R690-F694 WeakPolarHBondContact O-CD2 3.35Å; R690-F694 PolarHBondContact O-N 3.01Å; R690-F694 VanDerWaalsContact O-N 3.15Å
691	E	79.4	Confident	83	Confident	99 Å²	99	70 Å²	70	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-48.3	174.2	-71.3	-174.2	152.6	0	0	111.9	E687 E688 K693 F694 D695	E687-E691 WeakPolarHBondContact O-CG 3.35Å; E687-E691 PolarHBondContact O-N 3.26Å; E688-E691 PolarHBondContact O-N 2.8Å; E691-K693 PolarHBondContact O-N 2.72Å; E691-K693 VanDerWaalsContact O-N 3.08Å; E691-F694 PolarHBondContact O-N 3.36Å; E691-D695 WeakPolarHBondContact O-CB 3.43Å; E691-D695 PolarHBondContact O-N 3.2Å
692	R	86.3	Confident	83.8	Confident	146 Å²	146	68.6 Å²	68.6	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-54.3	-30.4	175.8	-71.2	163.9	179	170.5	-3.1	112.7	E688 G696	E688-R692 WeakPolarHBondContact O-CB 3.41Å; E688-R692 WeakPolarHBondContact O-CD 3.45Å; E688-R692 WeakPolarHBondContact O-CG 3.33Å; E688-R692 PolarHBondContact O-N 2.94Å; E688-R692 IonicContact OE1-CZ 2.77Å; E688-R692 IonicContact OE1-NE 3.83Å; E688-R692 IonicContact OE1-NH2 3.69Å; E688-R692 PolarHBondContact OE1-NH2 2.68Å; E688-R692 IonicContact OE2-CZ 3.72Å; E688-R692 IonicContact OE2-NE 2.69Å; E688-R692 IonicContact OE2-NH1 2.91Å; E688-R692 IonicContact OE2-NH2 2.64Å; E688-R692 PolarHBondContact OE2-NH2 3.23Å; R692-G696 PolarHBondContact O-N 2.81Å
693	K	88.8	Confident	84.4	Confident	82 Å²	82	75.5 Å²	75.5	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-72.8	-51.6	173.5	-60.5	-86.6	174.2	160.4	0	111	I637 L638 T689 R690 E691 D695 G696 Y697	I637-K693 HydrophobicContact CD1-CB 4.38Å; I637-K693 HydrophobicContact CG1-CB 4.1Å; I637-K693 HydrophobicContact CG2-CB 4.45Å; I637-K693 WeakPolarHBondContact O-CD 3.5Å; L638-K693 VanDerWaalsContact O-CE 3.27Å; L638-K693 WeakPolarHBondContact O-CE 3.21Å; L638-K693 PolarHBondContact O-NZ 2.89Å; T689-K693 VanDerWaalsContact O-CG 3.25Å; T689-K693 WeakPolarHBondContact O-CG 3.34Å; T689-K693 PolarHBondContact O-N 2.86Å; R690-K693 WeakPolarHBondContact O-CB 3.47Å; R690-K693 PolarHBondContact O-N 2.9Å; E691-K693 PolarHBondContact O-N 2.72Å; E691-K693 VanDerWaalsContact O-N 3.08Å; K693-D695 PolarHBondContact O-N 3.48Å; K693-G696 PolarHBondContact O-N 3.14Å; K693-G696 VanDerWaalsContact O-N 3.13Å; K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.14Å; K693-Y697 PolarHBondContact O-N 3.32Å; K693-Y697 VanDerWaalsContact O-N 3.09Å
694	F	84.8	Confident	85.1	Confident	93 Å²	93	77.6 Å²	77.6	41%	0.408	38%	0.378	S	S	.	.	H	α-helix	trans	-54.4	-42.4	176.2	-80.7	-68.8	0	0	0	111.8	I637 R690 E691 G696 Y697 A698	I637-F694 HydrophobicContact CD1-CD1 3.67Å; I637-F694 HydrophobicContact CD1-CD2 4.1Å; I637-F694 HydrophobicContact CD1-CE1 3.45Å; I637-F694 VanDerWaalsContact CD1-CE1 3.45Å; I637-F694 HydrophobicContact CD1-CE2 3.9Å; I637-F694 HydrophobicContact CD1-CG 3.98Å; I637-F694 HydrophobicContact CD1-CZ 3.57Å; I637-F694 HydrophobicContact CG2-CE2 4.06Å; I637-F694 HydrophobicContact CG2-CZ 4.42Å; R690-F694 HydrophobicContact CG-CD2 4.05Å; R690-F694 HydrophobicContact CG-CE2 3.76Å; R690-F694 VanDerWaalsContact O-CD2 3.3Å; R690-F694 WeakPolarHBondContact O-CD2 3.35Å; R690-F694 PolarHBondContact O-N 3.01Å; R690-F694 VanDerWaalsContact O-N 3.15Å; E691-F694 PolarHBondContact O-N 3.36Å; F694-G696 VanDerWaalsContact C-N 3.34Å; F694-G696 PolarHBondContact O-N 3.13Å; F694-Y697 CarbonylContact O-C 3.56Å; F694-Y697 PolarHBondContact O-N 3.41Å; F694-Y697 VanDerWaalsContact O-N 3.14Å; F694-A698 WeakPolarHBondContact O-CB 3.37Å; F694-A698 PolarHBondContact O-N 2.75Å
695	D	81.9	Confident	85.8	Confident	71 Å²	71	81 Å²	81	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-37.3	-179.8	-159.7	49.1	0	0	0	112.2	E691 K693 A698 R699	E691-D695 WeakPolarHBondContact O-CB 3.43Å; E691-D695 PolarHBondContact O-N 3.2Å; K693-D695 PolarHBondContact O-N 3.48Å; D695-A698 PolarHBondContact O-N 2.81Å; D695-R699 WeakPolarHBondContact O-CB 3.45Å; D695-R699 WeakPolarHBondContact O-CD 3.49Å; D695-R699 WeakPolarHBondContact O-CG 3.4Å; D695-R699 PolarHBondContact O-N 3.19Å; D695-R699 IonicContact OD2-CZ 3.18Å; D695-R699 IonicContact OD2-NE 2.72Å; D695-R699 PolarHBondContact OD2-NE 2.97Å; D695-R699 IonicContact OD2-NH2 3.52Å; D695-R699 PolarHBondContact OD2-NH2 3.42Å
696	G	88.1	Confident	85.9	Confident	34 Å²	34	85.3 Å²	85.3	35%	0.351	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-41.5	170.2	0	0	0	0	0	113.8	R692 K693 F694 T700	R692-G696 PolarHBondContact O-N 2.81Å; K693-G696 PolarHBondContact O-N 3.14Å; K693-G696 VanDerWaalsContact O-N 3.13Å; F694-G696 VanDerWaalsContact C-N 3.34Å; F694-G696 PolarHBondContact O-N 3.13Å; G696-T700 PolarHBondContact O-N 3.11Å; G696-T700 VanDerWaalsContact O-N 3.17Å; G696-T700 PolarHBondContact O-OG1 2.67Å
697	Y	89.3	Confident	86	Confident	116 Å²	116	91.3 Å²	91.3	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-70.6	-41.4	175.1	-66.7	-64.7	0	0	0	112	I637 K693 F694 T700 I701	I637-Y697 HydrophobicContact CD1-CD2 3.86Å; I637-Y697 HydrophobicContact CD1-CE2 3.85Å; I637-Y697 HydrophobicContact CG1-CD2 4.29Å; I637-Y697 HydrophobicContact CG1-CE2 3.75Å; K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.14Å; K693-Y697 PolarHBondContact O-N 3.32Å; K693-Y697 VanDerWaalsContact O-N 3.09Å; F694-Y697 CarbonylContact O-C 3.56Å; F694-Y697 PolarHBondContact O-N 3.41Å; F694-Y697 VanDerWaalsContact O-N 3.14Å; Y697-T700 CarbonylContact O-C 3.57Å; Y697-T700 WeakPolarHBondContact O-CA 3.4Å; Y697-T700 WeakPolarHBondContact O-CB 3.23Å; Y697-T700 PolarHBondContact O-N 2.91Å; Y697-I701 WeakPolarHBondContact O-CG1 3.37Å; Y697-I701 PolarHBondContact O-N 2.98Å
698	A	87.3	Confident	86.2	Confident	35 Å²	35	97 Å²	97	29%	0.289	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-47.3	175.9	0	0	0	0	0	111.2	F694 D695 T700 I701 Q702	F694-A698 WeakPolarHBondContact O-CB 3.37Å; F694-A698 PolarHBondContact O-N 2.75Å; D695-A698 PolarHBondContact O-N 2.81Å; A698-T700 PolarHBondContact O-N 3.35Å; A698-I701 PolarHBondContact O-N 3.27Å; A698-Q702 WeakPolarHBondContact O-CB 3.47Å; A698-Q702 VanDerWaalsContact O-CG 3.25Å; A698-Q702 WeakPolarHBondContact O-CG 3.4Å; A698-Q702 PolarHBondContact O-N 3.48Å
699	R	88.3	Confident	86.4	Confident	160 Å²	160	97.6 Å²	97.6	60%	0.604	45%	0.451	S	S	*	.	H	α-helix	trans	-57.1	-36.8	172.5	-70	166.2	-168	-139.5	5.7	111.9	D695 K703	D695-R699 WeakPolarHBondContact O-CB 3.45Å; D695-R699 WeakPolarHBondContact O-CD 3.49Å; D695-R699 WeakPolarHBondContact O-CG 3.4Å; D695-R699 PolarHBondContact O-N 3.19Å; D695-R699 IonicContact OD2-CZ 3.18Å; D695-R699 IonicContact OD2-NE 2.72Å; D695-R699 PolarHBondContact OD2-NE 2.97Å; D695-R699 IonicContact OD2-NH2 3.52Å; D695-R699 PolarHBondContact OD2-NH2 3.42Å; R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.37Å; R699-K703 PolarHBondContact O-N 2.68Å
700	T	90.9	Very high	86	Confident	90 Å²	90	98.3 Å²	98.3	55%	0.552	46%	0.46	S	S	*	.	H	α-helix	trans	-69	-46.5	176.9	-59.5	0	0	0	0	112.2	G696 Y697 A698 K703 A704	G696-T700 PolarHBondContact O-N 3.11Å; G696-T700 VanDerWaalsContact O-N 3.17Å; G696-T700 PolarHBondContact O-OG1 2.67Å; Y697-T700 CarbonylContact O-C 3.57Å; Y697-T700 WeakPolarHBondContact O-CA 3.4Å; Y697-T700 WeakPolarHBondContact O-CB 3.23Å; Y697-T700 PolarHBondContact O-N 2.91Å; A698-T700 PolarHBondContact O-N 3.35Å; T700-K703 PolarHBondContact O-N 3.14Å; T700-A704 PolarHBondContact O-N 2.97Å
701	I	91.3	Very high	85.7	Confident	120 Å²	120	103.6 Å²	103.6	62%	0.615	48%	0.48	S	S	*	.	H	α-helix	trans	-61.8	-48.5	175.4	-66.6	164.5	0	0	0	110.2	Y697 A698 K703 A704 W705	Y697-I701 WeakPolarHBondContact O-CG1 3.37Å; Y697-I701 PolarHBondContact O-N 2.98Å; A698-I701 PolarHBondContact O-N 3.27Å; I701-K703 VanDerWaalsContact C-N 3.3Å; I701-K703 PolarHBondContact O-N 3.07Å; I701-A704 PolarHBondContact O-N 3.12Å; I701-A704 VanDerWaalsContact O-N 3.14Å; I701-W705 WeakPolarHBondContact O-CB 3.36Å; I701-W705 PolarHBondContact O-N 3.48Å
702	Q	87.1	Confident	85.7	Confident	80 Å²	80	104.2 Å²	104.2	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-57.7	-40.8	175.6	-71.1	177.9	20.3	0	0	112.1	A698 W705 R706	A698-Q702 WeakPolarHBondContact O-CB 3.47Å; A698-Q702 VanDerWaalsContact O-CG 3.25Å; A698-Q702 WeakPolarHBondContact O-CG 3.4Å; A698-Q702 PolarHBondContact O-N 3.48Å; Q702-W705 PolarHBondContact O-N 2.67Å; Q702-R706 VanDerWaalsContact O-CB 3.29Å; Q702-R706 WeakPolarHBondContact O-CB 3.47Å; Q702-R706 WeakPolarHBondContact O-CG 3.25Å; Q702-R706 PolarHBondContact O-N 3.26Å; Q702-R706 VanDerWaalsContact OE1-CZ 3.28Å
703	K	90.6	Very high	85.2	Confident	159 Å²	159	103.5 Å²	103.5	69%	0.691	48%	0.482	S	S	*	.	H	α-helix	trans	-65.6	-40.1	176.7	-173.3	175.3	-176.3	175.7	0	111.7	R699 T700 I701 K707	R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.37Å; R699-K703 PolarHBondContact O-N 2.68Å; T700-K703 PolarHBondContact O-N 3.14Å; I701-K703 VanDerWaalsContact C-N 3.3Å; I701-K703 PolarHBondContact O-N 3.07Å; K703-K707 WeakPolarHBondContact O-CB 3.38Å; K703-K707 PolarHBondContact O-N 3Å; K703-K707 VanDerWaalsContact O-N 3.12Å
704	A	90	Very high	84.5	Confident	60 Å²	60	106.3 Å²	106.3	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-44.9	174.1	0	0	0	0	0	112	T700 I701 K707 Y708	T700-A704 PolarHBondContact O-N 2.97Å; I701-A704 PolarHBondContact O-N 3.12Å; I701-A704 VanDerWaalsContact O-N 3.14Å; A704-K707 WeakPolarHBondContact O-CB 3.48Å; A704-K707 PolarHBondContact O-N 3.03Å; A704-Y708 WeakPolarHBondContact O-CB 3.39Å; A704-Y708 PolarHBondContact O-N 2.71Å
705	W	87.8	Confident	84.1	Confident	155 Å²	155	104.7 Å²	104.7	59%	0.587	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-50.4	177.6	178.9	-109.6	0	0	0	112.7	I701 Q702 K707 Y708 M709	I701-W705 WeakPolarHBondContact O-CB 3.36Å; I701-W705 PolarHBondContact O-N 3.48Å; Q702-W705 PolarHBondContact O-N 2.67Å; W705-K707 VanDerWaalsContact C-N 3.26Å; W705-K707 PolarHBondContact O-N 3.2Å; W705-Y708 PolarHBondContact O-N 3.28Å; W705-Y708 VanDerWaalsContact O-N 3.09Å; W705-M709 HydrophobicContact CD2-CG 4.32Å; W705-M709 HydrophobicContact CE3-CE 4.43Å; W705-M709 HydrophobicContact CH2-CE 3.27Å; W705-M709 HydrophobicContact CZ2-CE 3.35Å; W705-M709 HydrophobicContact CZ2-CG 4.32Å; W705-M709 HydrophobicContact CZ3-CE 3.84Å; W705-M709 PolarHBondContact O-N 3.1Å
706	R	84.3	Confident	84.1	Confident	156 Å²	156	105.9 Å²	105.9	59%	0.589	49%	0.493	S	S	*	.	H	α-helix	trans	-57.1	-41	175.1	-71.4	170.5	-175.9	132.3	8.5	111	Q702 A710	Q702-R706 VanDerWaalsContact O-CB 3.29Å; Q702-R706 WeakPolarHBondContact O-CB 3.47Å; Q702-R706 WeakPolarHBondContact O-CG 3.25Å; Q702-R706 PolarHBondContact O-N 3.26Å; Q702-R706 VanDerWaalsContact OE1-CZ 3.28Å; R706-A710 VanDerWaalsContact O-CB 3.23Å; R706-A710 WeakPolarHBondContact O-CB 3.35Å; R706-A710 PolarHBondContact O-N 3.31Å
707	K	84.1	Confident	83.5	Confident	125 Å²	125	106.2 Å²	106.2	54%	0.543	49%	0.486	S	S	.	.	H	α-helix	trans	-66.2	-39.5	174.8	179.7	179	178.3	-179.4	0	112.8	K703 A704 W705 R711	K703-K707 WeakPolarHBondContact O-CB 3.38Å; K703-K707 PolarHBondContact O-N 3Å; K703-K707 VanDerWaalsContact O-N 3.12Å; A704-K707 WeakPolarHBondContact O-CB 3.48Å; A704-K707 PolarHBondContact O-N 3.03Å; W705-K707 VanDerWaalsContact C-N 3.26Å; W705-K707 PolarHBondContact O-N 3.2Å; K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 VanDerWaalsContact O-CG 3.25Å; K707-R711 WeakPolarHBondContact O-CG 3.08Å; K707-R711 PolarHBondContact O-N 3.05Å; K707-R711 VanDerWaalsContact O-N 3.1Å
708	Y	81.6	Confident	82.9	Confident	131 Å²	131	102.5 Å²	102.5	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-49.8	175.1	172.5	-94.9	0	0	0	111.4	A704 W705 A710 R711 K712	A704-Y708 WeakPolarHBondContact O-CB 3.39Å; A704-Y708 PolarHBondContact O-N 2.71Å; W705-Y708 PolarHBondContact O-N 3.28Å; W705-Y708 VanDerWaalsContact O-N 3.09Å; Y708-A710 PolarHBondContact O-N 2.58Å; Y708-R711 WeakPolarHBondContact O-CB 3.01Å; Y708-R711 PolarHBondContact O-N 2.89Å; Y708-R711 VanDerWaalsContact O-N 3.16Å; Y708-K712 HydrophobicContact CE1-CD 4.4Å; Y708-K712 PolarHBondContact O-N 2.83Å
709	M	81.1	Confident	82.5	Confident	68 Å²	68	103.5 Å²	103.5	34%	0.335	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-38.4	-179.8	-74.9	-59.6	177.3	0	0	112.7	W705 K712 K713	W705-M709 HydrophobicContact CD2-CG 4.32Å; W705-M709 HydrophobicContact CE3-CE 4.43Å; W705-M709 HydrophobicContact CH2-CE 3.27Å; W705-M709 HydrophobicContact CZ2-CE 3.35Å; W705-M709 HydrophobicContact CZ2-CG 4.32Å; W705-M709 HydrophobicContact CZ3-CE 3.84Å; W705-M709 PolarHBondContact O-N 3.1Å; M709-K712 PolarHBondContact O-N 3.3Å; M709-K712 HydrophobicContact SD-CD 4.2Å; M709-K713 WeakPolarHBondContact O-CB 3.2Å; M709-K713 PolarHBondContact O-N 3.47Å
710	A	77.5	Confident	82.2	Confident	44 Å²	44	99.5 Å²	99.5	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-58.8	-47.7	170.1	0	0	0	0	0	111.4	R706 Y708 K713 Y714	R706-A710 VanDerWaalsContact O-CB 3.23Å; R706-A710 WeakPolarHBondContact O-CB 3.35Å; R706-A710 PolarHBondContact O-N 3.31Å; Y708-A710 PolarHBondContact O-N 2.58Å; A710-K713 PolarHBondContact O-N 3.19Å; A710-Y714 WeakPolarHBondContact O-CD2 3.46Å; A710-Y714 PolarHBondContact O-N 2.71Å
711	R	79	Confident	81.8	Confident	152 Å²	152	95.2 Å²	95.2	57%	0.574	43%	0.432	S	S	*	.	H	α-helix	trans	-60.4	-45.3	176.2	-78.2	170.9	165.1	-162.2	-9	112.5	K707 Y708 K713 Y714 V715	K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 VanDerWaalsContact O-CG 3.25Å; K707-R711 WeakPolarHBondContact O-CG 3.08Å; K707-R711 PolarHBondContact O-N 3.05Å; K707-R711 VanDerWaalsContact O-N 3.1Å; Y708-R711 WeakPolarHBondContact O-CB 3.01Å; Y708-R711 PolarHBondContact O-N 2.89Å; Y708-R711 VanDerWaalsContact O-N 3.16Å; R711-K713 VanDerWaalsContact C-N 3.34Å; R711-K713 PolarHBondContact O-N 2.82Å; R711-Y714 PolarHBondContact O-N 2.91Å; R711-V715 WeakPolarHBondContact O-CG2 3.41Å; R711-V715 PolarHBondContact O-N 2.84Å
712	K	79.2	Confident	81.2	Confident	112 Å²	112	89.6 Å²	89.6	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-47.7	176.3	-173.4	-179.9	177.8	-177.6	0	110.6	Y708 M709 V715 Q716	Y708-K712 HydrophobicContact CE1-CD 4.4Å; Y708-K712 PolarHBondContact O-N 2.83Å; M709-K712 PolarHBondContact O-N 3.3Å; M709-K712 HydrophobicContact SD-CD 4.2Å; K712-V715 PolarHBondContact O-N 2.9Å; K712-Q716 WeakPolarHBondContact O-CB 3.31Å; K712-Q716 PolarHBondContact O-N 3.18Å
713	K	77.7	Confident	81.1	Confident	130 Å²	130	89.2 Å²	89.2	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-62.1	-42.9	177	-171.7	172.3	-178.2	172.2	0	112.8	M709 A710 R711 Q716 M717	M709-K713 WeakPolarHBondContact O-CB 3.2Å; M709-K713 PolarHBondContact O-N 3.47Å; A710-K713 PolarHBondContact O-N 3.19Å; R711-K713 VanDerWaalsContact C-N 3.34Å; R711-K713 PolarHBondContact O-N 2.82Å; K713-Q716 PolarHBondContact O-N 3.19Å; K713-M717 HydrophobicContact CG-CE 4.19Å; K713-M717 HydrophobicContact CG-CG 4.47Å; K713-M717 HydrophobicContact CG-SD 4.21Å; K713-M717 VanDerWaalsContact O-CG 3.3Å; K713-M717 WeakPolarHBondContact O-CG 3.34Å; K713-M717 PolarHBondContact O-N 3.12Å
714	Y	73.4	Confident	81	Confident	141 Å²	141	84.4 Å²	84.4	55%	0.553	39%	0.385	S	S	*	.	H	α-helix	trans	-65.5	-35.8	175.7	-81.3	-64.5	0	0	0	113.4	A710 R711 M717 R718	A710-Y714 WeakPolarHBondContact O-CD2 3.46Å; A710-Y714 PolarHBondContact O-N 2.71Å; R711-Y714 PolarHBondContact O-N 2.91Å; Y714-M717 HydrophobicContact CD1-CE 3.56Å; Y714-M717 HydrophobicContact CE1-CE 3.9Å; Y714-M717 HydrophobicContact CG-CE 4.22Å; Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 2.94Å
715	V	76.5	Confident	80.8	Confident	59 Å²	59	81.6 Å²	81.6	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-47.5	173.2	172	0	0	0	0	110.6	R711 K712 R718 E719	R711-V715 WeakPolarHBondContact O-CG2 3.41Å; R711-V715 PolarHBondContact O-N 2.84Å; K712-V715 PolarHBondContact O-N 2.9Å; V715-R718 WeakPolarHBondContact O-CB 3.46Å; V715-R718 PolarHBondContact O-N 3.05Å; V715-R718 VanDerWaalsContact O-N 3.12Å; V715-E719 HydrophobicContact CG1-CG 4.39Å; V715-E719 PolarHBondContact O-N 3.4Å
716	Q	80.9	Confident	80.8	Confident	96 Å²	96	75.4 Å²	75.4	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-57.5	-51.8	178.2	177.1	178.9	-12.9	0	0	111.9	K712 K713 R718 E719 E720	K712-Q716 WeakPolarHBondContact O-CB 3.31Å; K712-Q716 PolarHBondContact O-N 3.18Å; K713-Q716 PolarHBondContact O-N 3.19Å; Q716-R718 PolarHBondContact O-N 2.85Å; Q716-R718 VanDerWaalsContact O-N 3.13Å; Q716-E719 PolarHBondContact O-N 3.06Å; Q716-E720 HydrophobicContact CG-CG 4.3Å; Q716-E720 VanDerWaalsContact CG-OE1 3.25Å; Q716-E720 WeakPolarHBondContact CG-OE1 2.83Å; Q716-E720 PolarHBondContact NE2-OE1 2.82Å; Q716-E720 WeakPolarHBondContact O-CB 3.31Å; Q716-E720 WeakPolarHBondContact O-CG 3.46Å; Q716-E720 PolarHBondContact O-N 2.85Å
717	M	76.3	Confident	81	Confident	42 Å²	42	73.3 Å²	73.3	21%	0.207	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-27.8	178.4	-68.2	-177.8	-51.6	0	0	112.7	K713 Y714 A721	K713-M717 HydrophobicContact CG-CE 4.19Å; K713-M717 HydrophobicContact CG-CG 4.47Å; K713-M717 HydrophobicContact CG-SD 4.21Å; K713-M717 VanDerWaalsContact O-CG 3.3Å; K713-M717 WeakPolarHBondContact O-CG 3.34Å; K713-M717 PolarHBondContact O-N 3.12Å; Y714-M717 HydrophobicContact CD1-CE 3.56Å; Y714-M717 HydrophobicContact CE1-CE 3.9Å; Y714-M717 HydrophobicContact CG-CE 4.22Å; M717-A721 WeakPolarHBondContact O-CB 3.13Å; M717-A721 PolarHBondContact O-N 3.45Å
718	R	76.2	Confident	81.3	Confident	37 Å²	37	73.8 Å²	73.8	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-81.9	-32.5	176.1	-169.9	-174.1	67.2	166.8	9.2	112.9	Y714 V715 Q716 S722 F740 T930	Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 2.94Å; V715-R718 WeakPolarHBondContact O-CB 3.46Å; V715-R718 PolarHBondContact O-N 3.05Å; V715-R718 VanDerWaalsContact O-N 3.12Å; Q716-R718 PolarHBondContact O-N 2.85Å; Q716-R718 VanDerWaalsContact O-N 3.13Å; R718-S722 WeakPolarHBondContact O-CB 3.18Å; R718-S722 PolarHBondContact O-N 3.48Å; R718-S722 VanDerWaalsContact O-N 3.14Å; R718-F740 HydrophobicContact CB-CE2 4.5Å; R718-F740 HydrophobicContact CG-CZ 4.39Å; R718-T930 PolarHBondContact NH2-O 2.85Å
719	E	78.4	Confident	81.7	Confident	57 Å²	57	67.6 Å²	67.6	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-52.5	170.2	-72.2	177.8	153.8	0	0	109	V715 Q716 A721 S722 D723 R931	V715-E719 HydrophobicContact CG1-CG 4.39Å; V715-E719 PolarHBondContact O-N 3.4Å; Q716-E719 PolarHBondContact O-N 3.06Å; E719-A721 PolarHBondContact O-N 2.85Å; E719-S722 WeakPolarHBondContact O-CA 3.44Å; E719-S722 WeakPolarHBondContact O-CB 3.14Å; E719-S722 PolarHBondContact O-N 2.96Å; E719-D723 PolarHBondContact O-N 3.03Å; E719-R931 IonicContact OE1-CZ 3.39Å; E719-R931 IonicContact OE1-NE 3.15Å; E719-R931 PolarHBondContact OE1-NE 3.01Å; E719-R931 VanDerWaalsContact OE1-NE 3.15Å; E719-R931 IonicContact OE1-NH2 2.7Å; E719-R931 PolarHBondContact OE1-NH2 2.8Å; E719-R931 IonicContact OE2-NH2 3.21Å
720	E	82.1	Confident	82.2	Confident	75 Å²	75	65.6 Å²	65.6	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-51.3	-51.9	173.6	-70.1	168.5	177.7	0	0	112.6	Q716 S722 D723 L724	Q716-E720 HydrophobicContact CG-CG 4.3Å; Q716-E720 VanDerWaalsContact CG-OE1 3.25Å; Q716-E720 WeakPolarHBondContact CG-OE1 2.83Å; Q716-E720 PolarHBondContact NE2-OE1 2.82Å; Q716-E720 WeakPolarHBondContact O-CB 3.31Å; Q716-E720 WeakPolarHBondContact O-CG 3.46Å; Q716-E720 PolarHBondContact O-N 2.85Å; E720-S722 PolarHBondContact O-N 2.82Å; E720-D723 PolarHBondContact O-N 2.93Å; E720-L724 PolarHBondContact O-N 2.8Å
721	A	82.8	Confident	82.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-22.4	177.8	0	0	0	0	0	114.1	M717 E719 F740 T850 S854	M717-A721 WeakPolarHBondContact O-CB 3.13Å; M717-A721 PolarHBondContact O-N 3.45Å; E719-A721 PolarHBondContact O-N 2.85Å; A721-F740 HydrophobicContact CB-CE2 3.48Å; A721-F740 VanDerWaalsContact CB-CE2 3.48Å; A721-F740 HydrophobicContact CB-CZ 3.51Å; A721-T850 HydrophobicContact CB-CG2 4.27Å; A721-T850 WeakPolarHBondContact O-CG2 3.3Å; A721-S854 WeakPolarHBondContact CB-OG 3.33Å
722	S	79.7	Confident	82.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-80.3	-40.8	174.5	-168.4	0	0	0	0	111.8	R718 E719 E720 L724 L725 L726 R731 P929	R718-S722 WeakPolarHBondContact O-CB 3.18Å; R718-S722 PolarHBondContact O-N 3.48Å; R718-S722 VanDerWaalsContact O-N 3.14Å; E719-S722 WeakPolarHBondContact O-CA 3.44Å; E719-S722 WeakPolarHBondContact O-CB 3.14Å; E719-S722 PolarHBondContact O-N 2.96Å; E720-S722 PolarHBondContact O-N 2.82Å; S722-L724 VanDerWaalsContact C-N 3.28Å; S722-L724 PolarHBondContact O-N 2.87Å; S722-L725 PolarHBondContact O-N 2.85Å; S722-L725 VanDerWaalsContact O-N 3.14Å; S722-L726 PolarHBondContact O-N 2.86Å; S722-L726 VanDerWaalsContact O-N 3.09Å; S722-R731 PolarHBondContact OG-NH1 2.83Å; S722-P929 VanDerWaalsContact OG-CD 3.28Å; S722-P929 WeakPolarHBondContact OG-CD 3.36Å
723	D	85.1	Confident	83	Confident	73 Å²	73	61.6 Å²	61.6	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-32.1	-178.5	-74.1	-43.7	0	0	0	112.3	E719 E720 L725 L726 R928	E719-D723 PolarHBondContact O-N 3.03Å; E720-D723 PolarHBondContact O-N 2.93Å; D723-L725 PolarHBondContact O-N 3.1Å; D723-L725 VanDerWaalsContact O-N 3.12Å; D723-L726 PolarHBondContact O-N 2.87Å; D723-R928 IonicContact OD1-CZ 2.69Å; D723-R928 VanDerWaalsContact OD1-CZ 3.24Å; D723-R928 IonicContact OD1-NH1 2.7Å; D723-R928 PolarHBondContact OD1-NH1 2.95Å; D723-R928 IonicContact OD1-NH2 3.65Å; D723-R928 PolarHBondContact OD1-NH2 2.94Å; D723-R928 IonicContact OD2-NH1 2.94Å
724	L	86.9	Confident	83.1	Confident	57 Å²	57	63 Å²	63	30%	0.298	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26	173.1	-69.8	177.1	0	0	0	114.8	E720 S722 I853 A857 L870	E720-L724 PolarHBondContact O-N 2.8Å; S722-L724 VanDerWaalsContact C-N 3.28Å; S722-L724 PolarHBondContact O-N 2.87Å; L724-I853 HydrophobicContact CD1-CG2 4.49Å; L724-A857 HydrophobicContact CD1-CB 4.22Å; L724-L870 HydrophobicContact CB-CD1 4.11Å; L724-L870 HydrophobicContact CD2-CD1 4.16Å
725	L	87	Confident	83.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-6.4	-179	-53.6	-176.6	0	0	0	113	S722 D723 R728 K729 L825 T850 F872	S722-L725 PolarHBondContact O-N 2.85Å; S722-L725 VanDerWaalsContact O-N 3.14Å; D723-L725 PolarHBondContact O-N 3.1Å; D723-L725 VanDerWaalsContact O-N 3.12Å; L725-R728 PolarHBondContact O-N 2.7Å; L725-R728 VanDerWaalsContact O-N 3.17Å; L725-K729 PolarHBondContact O-N 3Å; L725-K729 VanDerWaalsContact O-N 3.09Å; L725-L825 HydrophobicContact CD2-CD2 4.42Å; L725-T850 HydrophobicContact CD1-CG2 4.06Å; L725-F872 HydrophobicContact CD2-CE1 3.96Å; L725-F872 HydrophobicContact CD2-CZ 3.78Å
726	L	87.2	Confident	83.2	Confident	26 Å²	26	54.5 Å²	54.5	14%	0.136	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	139	-174.2	-172.8	75.7	0	0	0	111.1	S722 D723 R728 R928	S722-L726 PolarHBondContact O-N 2.86Å; S722-L726 VanDerWaalsContact O-N 3.09Å; D723-L726 PolarHBondContact O-N 2.87Å; L726-R728 WeakPolarHBondContact O-CG 3.47Å; L726-R728 PolarHBondContact O-N 3.03Å; L726-R928 HydrophobicContact CD1-CG 3.96Å; L726-R928 VanDerWaalsContact CD2-CZ 3.5Å
727	N	88	Confident	82.8	Confident	112 Å²	112	53.5 Å²	53.5	60%	0.599	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	0.3	-174.2	-59	-16	0	0	0	114.7	K925 N926	N727-K925 PolarHBondContact N-O 2.78Å; N727-N926 VanDerWaalsContact OD1-CA 3.3Å; N727-N926 WeakPolarHBondContact OD1-CA 3.36Å; N727-N926 VanDerWaalsContact OD1-CB 3.26Å; N727-N926 WeakPolarHBondContact OD1-CB 3.26Å
728	R	90	Very high	82.9	Confident	135 Å²	135	54.1 Å²	54.1	51%	0.509	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-35.4	-174.1	-63.2	175.8	-171.3	-152.1	0.7	113.9	L725 L726 T827 F872	L725-R728 PolarHBondContact O-N 2.7Å; L725-R728 VanDerWaalsContact O-N 3.17Å; L726-R728 WeakPolarHBondContact O-CG 3.47Å; L726-R728 PolarHBondContact O-N 3.03Å; R728-T827 WeakPolarHBondContact O-CB 3.36Å; R728-F872 HydrophobicContact CB-CD1 3.76Å; R728-F872 HydrophobicContact CB-CD2 3.91Å; R728-F872 HydrophobicContact CB-CE1 3.82Å; R728-F872 HydrophobicContact CB-CE2 3.97Å; R728-F872 HydrophobicContact CB-CG 3.79Å; R728-F872 HydrophobicContact CB-CZ 3.92Å; R728-F872 VanDerWaalsContact CD-CE2 3.44Å; R728-F872 HydrophobicContact CG-CD2 4.22Å; R728-F872 HydrophobicContact CG-CE2 4.29Å
729	K	91.4	Very high	82.9	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	26%	0.262	C	S	.	.	S	Bend	trans	-136.1	136.5	-179.8	-170.4	171.4	-178.8	65.8	0	112.4	L725 R731 L825 S826 T827 L828 D830 F872	L725-K729 PolarHBondContact O-N 3Å; L725-K729 VanDerWaalsContact O-N 3.09Å; K729-R731 WeakPolarHBondContact O-CD 3.35Å; K729-L825 HydrophobicContact CD-CB 4.17Å; K729-L825 HydrophobicContact CD-CD2 3.77Å; K729-S826 VanDerWaalsContact CD-O 3.24Å; K729-S826 WeakPolarHBondContact CD-O 3.13Å; K729-S826 VanDerWaalsContact CG-O 3.3Å; K729-S826 WeakPolarHBondContact CG-O 3.44Å; K729-S826 PolarHBondContact NZ-O 2.87Å; K729-T827 CarbonylContact C-O 3.59Å; K729-T827 WeakPolarHBondContact CA-O 3.25Å; K729-L828 WeakPolarHBondContact CE-O 3.27Å; K729-L828 WeakPolarHBondContact CG-O 3.44Å; K729-L828 PolarHBondContact NZ-O 2.91Å; K729-D830 WeakPolarHBondContact CE-O 3.44Å; K729-D830 PolarHBondContact NZ-O 2.97Å; K729-D830 IonicContact NZ-OD1 3.24Å; K729-D830 PolarHBondContact NZ-OD1 3.21Å; K729-D830 IonicContact NZ-OD2 3.71Å; K729-D830 PolarHBondContact NZ-OD2 3.28Å; K729-F872 HydrophobicContact CB-CD1 4.2Å; K729-F872 HydrophobicContact CB-CE1 3.98Å
730	D	90.6	Very high	83.3	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.139	26%	0.256	C	S	.	.			trans	-60.3	147.8	176.4	-64.9	-21.7	0	0	0	110.7	T827 Q829 K925	D730-T827 PolarHBondContact N-O 2.86Å; D730-Q829 HydrophobicContact CB-CB 4.06Å; D730-Q829 WeakPolarHBondContact O-CA 3.49Å; D730-K925 WeakPolarHBondContact OD1-CE 3.34Å; D730-K925 WeakPolarHBondContact OD1-CG 3.36Å
731	R	86.8	Confident	83.4	Confident	6 Å²	6	56.2 Å²	56.2	2%	0.023	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-104.3	110.6	-169.4	-58.7	-55.1	-53.6	-127.4	-0.8	110.7	S722 K729 R733 L736 L923	S722-R731 PolarHBondContact OG-NH1 2.83Å; K729-R731 WeakPolarHBondContact O-CD 3.35Å; R731-R733 PolarHBondContact O-N 2.87Å; R731-L736 HydrophobicContact CB-CD1 3.96Å; R731-L736 HydrophobicContact CB-CD2 4.11Å; R731-L736 HydrophobicContact CB-CG 4.05Å; R731-L736 HydrophobicContact CG-CD2 4.05Å; R731-L923 HydrophobicContact CB-CB 4.21Å; R731-L923 PolarHBondContact N-O 2.92Å; R731-L923 VanDerWaalsContact O-CB 3.27Å; R731-L923 WeakPolarHBondContact O-CB 3.47Å; R731-L923 PolarHBondContact O-N 3.01Å
732	R	85.6	Confident	83.7	Confident	62 Å²	62	56.6 Å²	56.6	23%	0.234	27%	0.267	C	S	.	.			trans	-57.1	130.2	171	-168.1	173.8	-167.5	-161.1	0.5	109.6	H734 S735 Q829 D831 D904	R732-H734 VanDerWaalsContact C-N 3.28Å; R732-H734 PolarHBondContact O-N 2.74Å; R732-H734 VanDerWaalsContact O-N 3.12Å; R732-S735 VanDerWaalsContact O-CB 3.28Å; R732-S735 WeakPolarHBondContact O-CB 3.45Å; R732-S735 PolarHBondContact O-N 3.01Å; R732-S735 PolarHBondContact O-OG 2.92Å; R732-Q829 VanDerWaalsContact CA-OE1 3.3Å; R732-Q829 HydrophobicContact CB-CB 4.29Å; R732-D831 IonicContact CZ-OD2 2.64Å; R732-D831 IonicContact NH1-OD2 3.8Å; R732-D831 PolarHBondContact NH1-OD2 2.82Å; R732-D904 PolarHBondContact NH2-O 3.12Å
733	R	80.9	Confident	84.2	Confident	155 Å²	155	58.7 Å²	58.7	59%	0.585	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-49.7	-44.9	-168.4	-65.5	176.2	-178.9	-166.5	0.1	113.5	R731 S735 L923	R731-R733 PolarHBondContact O-N 2.87Å; R733-S735 VanDerWaalsContact C-N 3.33Å; R733-S735 PolarHBondContact O-N 2.77Å; R733-L923 HydrophobicContact CB-CD1 4.39Å; R733-L923 HydrophobicContact CG-CD1 4.06Å; R733-L923 HydrophobicContact CG-CD2 4.18Å; R733-L923 HydrophobicContact CG-CG 3.89Å
734	H	78.6	Confident	84.5	Confident	159 Å²	159	56.8 Å²	56.8	74%	0.736	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-82	0.7	-179.4	-54.5	-72.1	0	0	0	115.1	R732	R732-H734 VanDerWaalsContact C-N 3.28Å; R732-H734 PolarHBondContact O-N 2.74Å; R732-H734 VanDerWaalsContact O-N 3.12Å
735	S	78.3	Confident	84.6	Confident	12 Å²	12	55 Å²	55	8%	0.084	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-91.8	-17.1	-175.7	74.3	0	0	0	0	115.4	R732 R733	R732-S735 VanDerWaalsContact O-CB 3.28Å; R732-S735 WeakPolarHBondContact O-CB 3.45Å; R732-S735 PolarHBondContact O-N 3.01Å; R732-S735 PolarHBondContact O-OG 2.92Å; R733-S735 VanDerWaalsContact C-N 3.33Å; R733-S735 PolarHBondContact O-N 2.77Å
736	L	74.3	Confident	84.7	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-81.8	-44.6	-171.7	-76.4	164.3	0	0	0	113.2	R731 L923 T927 P929	R731-L736 HydrophobicContact CB-CD1 3.96Å; R731-L736 HydrophobicContact CB-CD2 4.11Å; R731-L736 HydrophobicContact CB-CG 4.05Å; R731-L736 HydrophobicContact CG-CD2 4.05Å; L736-L923 HydrophobicContact CD1-CD1 3.72Å; L736-T927 HydrophobicContact CD1-CG2 3.5Å; L736-T927 VanDerWaalsContact CD1-CG2 3.5Å; L736-T927 WeakPolarHBondContact CD2-O 3.2Å; L736-P929 HydrophobicContact CD2-CG 4.24Å; L736-P929 WeakPolarHBondContact O-CB 3.34Å
737	N	72.8	Confident	84.7	Confident	75 Å²	75	54.6 Å²	54.6	40%	0.401	26%	0.258	S	S	.	.	S	Bend	trans	-104.9	7	-172.7	-74.2	-27.1	0	0	0	113.6	T930	N737-T930 PolarHBondContact ND2-OG1 3.16Å; N737-T930 PolarHBondContact OD1-N 2.76Å; N737-T930 PolarHBondContact OD1-OG1 2.72Å
738	R	79	Confident	84.5	Confident	55 Å²	55	55.2 Å²	55.2	21%	0.208	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.3	144.1	177.8	-161.1	-174.4	68	-140.5	-2.7	110.6	I847 F848 E851	R738-I847 PolarHBondContact NH1-O 3.45Å; R738-F848 VanDerWaalsContact NH2-CD1 3.33Å; R738-E851 IonicContact CZ-OE2 2.65Å; R738-E851 IonicContact NE-OE2 3.24Å; R738-E851 IonicContact NH2-OE2 2.79Å; R738-E851 PolarHBondContact NH2-OE2 3.32Å
739	N	76.5	Confident	84.2	Confident	88 Å²	88	54.9 Å²	54.9	47%	0.471	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-71.1	139.9	165.2	-72.6	-8.1	0	0	0	110	Y744 F934	N739-Y744 PolarHBondContact O-OH 3.23Å; N739-Y744 VanDerWaalsContact O-OH 3.14Å; N739-F934 WeakPolarHBondContact OD1-CZ 3.34Å
740	F	85.9	Confident	83.9	Confident	32 Å²	32	59.3 Å²	59.3	14%	0.14	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-82.6	131.2	164.6	-63.3	-9.7	0	0	0	108.8	R718 A721 T850 E851	R718-F740 HydrophobicContact CB-CE2 4.5Å; R718-F740 HydrophobicContact CG-CZ 4.39Å; A721-F740 HydrophobicContact CB-CE2 3.48Å; A721-F740 VanDerWaalsContact CB-CE2 3.48Å; A721-F740 HydrophobicContact CB-CZ 3.51Å; F740-T850 HydrophobicContact CZ-CG2 4.47Å; F740-E851 VanDerWaalsContact CA-CD 3.43Å; F740-E851 WeakPolarHBondContact CA-OE1 3.25Å; F740-E851 VanDerWaalsContact CB-CD 3.41Å; F740-E851 HydrophobicContact CB-CG 3.85Å; F740-E851 VanDerWaalsContact CB-OE1 3.29Å; F740-E851 WeakPolarHBondContact CB-OE1 3.39Å; F740-E851 HydrophobicContact CD1-CB 3.74Å; F740-E851 VanDerWaalsContact CD1-CD 3.49Å; F740-E851 HydrophobicContact CD1-CG 3.69Å; F740-E851 VanDerWaalsContact CD1-OE2 3.22Å; F740-E851 WeakPolarHBondContact CD1-OE2 3.38Å; F740-E851 HydrophobicContact CD2-CB 4.4Å; F740-E851 HydrophobicContact CD2-CG 3.99Å; F740-E851 HydrophobicContact CE1-CB 3.78Å; F740-E851 HydrophobicContact CE1-CG 4.22Å; F740-E851 HydrophobicContact CE2-CB 4.42Å; F740-E851 HydrophobicContact CE2-CG 4.47Å; F740-E851 HydrophobicContact CG-CB 4.08Å; F740-E851 HydrophobicContact CG-CG 3.57Å; F740-E851 HydrophobicContact CZ-CB 4.13Å
741	I	84.6	Confident	83.7	Confident	94 Å²	94	62.6 Å²	62.6	48%	0.482	31%	0.31	S	S	.	.			trans	-113.1	-23.9	178.6	-53.2	-172.2	0	0	0	110.2	D743 Y744 E851 A952	I741-D743 VanDerWaalsContact C-N 3.26Å; I741-D743 WeakPolarHBondContact CG2-O 3.02Å; I741-D743 PolarHBondContact O-N 3.32Å; I741-Y744 HydrophobicContact CB-CD1 4.37Å; I741-Y744 HydrophobicContact CB-CE1 3.73Å; I741-Y744 HydrophobicContact CB-CE2 4.12Å; I741-Y744 HydrophobicContact CD1-CD1 4.27Å; I741-Y744 HydrophobicContact CD1-CE1 3.59Å; I741-Y744 HydrophobicContact CG1-CE1 3.7Å; I741-Y744 PolarHBondContact N-OH 2.85Å; I741-E851 PolarHBondContact N-OE1 3.23Å; I741-A952 HydrophobicContact CD1-CB 3.94Å
742	G	88.2	Confident	83.7	Confident	9 Å²	9	64.8 Å²	64.8	9%	0.093	32%	0.32	C	S	.	.	S	Bend	trans	75.2	-77.2	-169.2	0	0	0	0	0	110.6	Y744 D764 F765 A766 E851	G742-Y744 WeakPolarHBondContact O-CD2 3.47Å; G742-D764 VanDerWaalsContact CA-O 3.24Å; G742-D764 WeakPolarHBondContact CA-O 3.35Å; G742-F765 CarbonylContact O-C 3.53Å; G742-F765 VanDerWaalsContact O-CA 3.25Å; G742-F765 WeakPolarHBondContact O-CA 3.46Å; G742-F765 WeakPolarHBondContact O-CD2 3.26Å; G742-A766 PolarHBondContact O-N 3.08Å; G742-E851 PolarHBondContact N-OE1 2.89Å
743	D	90.4	Very high	83.8	Confident	44 Å²	44	61.9 Å²	61.9	24%	0.235	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-87.2	110.9	-177.9	-175.8	5.9	0	0	0	112.3	I741 L745 G746 M747	I741-D743 VanDerWaalsContact C-N 3.26Å; I741-D743 WeakPolarHBondContact CG2-O 3.02Å; I741-D743 PolarHBondContact O-N 3.32Å; D743-L745 WeakPolarHBondContact OD1-CA 3.4Å; D743-L745 PolarHBondContact OD1-N 3.39Å; D743-G746 PolarHBondContact OD1-N 3.23Å; D743-M747 VanDerWaalsContact OD2-CB 3.31Å; D743-M747 WeakPolarHBondContact OD2-CB 3.33Å; D743-M747 PolarHBondContact OD2-N 3.23Å
744	Y	91.1	Very high	84.2	Confident	33 Å²	33	58.5 Å²	58.5	13%	0.129	30%	0.296	C	S	.	.	S	Bend	trans	-106.9	5.9	172.6	-62.1	-86.6	0	0	0	113.1	N739 I741 G742 F765 A766 F848 E851	N739-Y744 PolarHBondContact O-OH 3.23Å; N739-Y744 VanDerWaalsContact O-OH 3.14Å; I741-Y744 HydrophobicContact CB-CD1 4.37Å; I741-Y744 HydrophobicContact CB-CE1 3.73Å; I741-Y744 HydrophobicContact CB-CE2 4.12Å; I741-Y744 HydrophobicContact CD1-CD1 4.27Å; I741-Y744 HydrophobicContact CD1-CE1 3.59Å; I741-Y744 HydrophobicContact CG1-CE1 3.7Å; I741-Y744 PolarHBondContact N-OH 2.85Å; G742-Y744 WeakPolarHBondContact O-CD2 3.47Å; Y744-F765 HydrophobicContact CD2-CE2 4.08Å; Y744-F765 HydrophobicContact CE2-CD2 4.47Å; Y744-F765 HydrophobicContact CE2-CE2 4.1Å; Y744-A766 WeakPolarHBondContact CA-O 3.22Å; Y744-A766 WeakPolarHBondContact CB-O 3.44Å; Y744-A766 PolarHBondContact N-O 3.33Å; Y744-F848 HydrophobicContact CD1-CD1 4.17Å; Y744-F848 AromaticContact CD1-CE1 3.6Å; Y744-F848 HydrophobicContact CD1-CE1 3.6Å; Y744-F848 AromaticContact CD1-CZ 3.99Å; Y744-F848 HydrophobicContact CD1-CZ 3.99Å; Y744-F848 AromaticContact CD2-CD1 3.87Å; Y744-F848 HydrophobicContact CD2-CD1 3.87Å; Y744-F848 HydrophobicContact CD2-CE1 4.15Å; Y744-F848 HydrophobicContact CD2-CG 4.3Å; Y744-F848 AromaticContact CE1-CD1 3.74Å; Y744-F848 HydrophobicContact CE1-CD1 3.74Å; Y744-F848 AromaticContact CE1-CE1 3.26Å; Y744-F848 HydrophobicContact CE1-CE1 3.26Å; Y744-F848 HydrophobicContact CE1-CZ 4.08Å; Y744-F848 AromaticContact CE2-CD1 3.41Å; Y744-F848 HydrophobicContact CE2-CD1 3.41Å; Y744-F848 VanDerWaalsContact CE2-CD1 3.41Å; Y744-F848 AromaticContact CE2-CE1 3.86Å; Y744-F848 HydrophobicContact CE2-CE1 3.86Å; Y744-F848 HydrophobicContact CE2-CG 4.12Å; Y744-F848 HydrophobicContact CG-CD1 4.23Å; Y744-F848 HydrophobicContact CG-CE1 4.03Å; Y744-F848 HydrophobicContact CG-CZ 4.32Å; Y744-F848 AromaticContact CZ-CD1 3.32Å; Y744-F848 AromaticContact CZ-CE1 3.4Å; Y744-E851 WeakPolarHBondContact CE2-OE1 3.49Å; Y744-E851 PolarHBondContact OH-OE1 3.28Å; Y744-E851 PolarHBondContact OH-OE2 3.05Å
745	L	89.9	Confident	84.7	Confident	19 Å²	19	57 Å²	57	10%	0.099	29%	0.29	C	S	.	.	S	Bend	trans	-102.3	-24.2	177.3	-63	-174	0	0	0	113.4	D743 M747 R750 L753 A766 K768 D782	D743-L745 WeakPolarHBondContact OD1-CA 3.4Å; D743-L745 PolarHBondContact OD1-N 3.39Å; L745-M747 HydrophobicContact CB-CG 4.2Å; L745-M747 HydrophobicContact CB-SD 4.21Å; L745-M747 HydrophobicContact CD1-SD 4.16Å; L745-R750 PolarHBondContact O-NE 3.31Å; L745-L753 HydrophobicContact CD1-CD1 4.03Å; L745-A766 HydrophobicContact CB-CB 4.28Å; L745-A766 HydrophobicContact CD1-CB 3.96Å; L745-A766 HydrophobicContact CG-CB 3.97Å; L745-K768 HydrophobicContact CD2-CB 4.03Å; L745-D782 HydrophobicContact CD1-CB 3.94Å
746	G	88.8	Confident	85.2	Confident	19 Å²	19	58.9 Å²	58.9	20%	0.196	30%	0.296	C	S	.	.			trans	77.9	54.1	-172.6	0	0	0	0	0	110.9	D743 D748 D749 R750	D743-G746 PolarHBondContact OD1-N 3.23Å; G746-D748 VanDerWaalsContact C-N 3.27Å; G746-D748 PolarHBondContact O-N 3.12Å; G746-D749 PolarHBondContact O-N 2.79Å; G746-D749 VanDerWaalsContact O-N 3.15Å; G746-R750 WeakPolarHBondContact O-CG 3.45Å
747	M	87.1	Confident	86	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-67.6	-21.7	-170.3	-71.5	-70	-53.2	0	0	114.1	D743 L745 D749 R750 L753 R754 L757 I763 A766 I784	D743-M747 VanDerWaalsContact OD2-CB 3.31Å; D743-M747 WeakPolarHBondContact OD2-CB 3.33Å; D743-M747 PolarHBondContact OD2-N 3.23Å; L745-M747 HydrophobicContact CB-CG 4.2Å; L745-M747 HydrophobicContact CB-SD 4.21Å; L745-M747 HydrophobicContact CD1-SD 4.16Å; M747-D749 VanDerWaalsContact C-N 3.31Å; M747-R750 PolarHBondContact O-N 2.64Å; M747-L753 HydrophobicContact CE-CB 3.59Å; M747-L753 HydrophobicContact SD-CB 3.81Å; M747-L753 HydrophobicContact SD-CD1 3.69Å; M747-L753 HydrophobicContact SD-CG 4.42Å; M747-R754 HydrophobicContact CE-CG 4.12Å; M747-R754 VanDerWaalsContact O-CD 3.27Å; M747-R754 WeakPolarHBondContact O-CD 3.2Å; M747-R754 VanDerWaalsContact O-CG 3.31Å; M747-R754 WeakPolarHBondContact O-CG 3.46Å; M747-R754 PolarHBondContact O-NH1 3.08Å; M747-L757 HydrophobicContact CE-CD1 3.99Å; M747-I763 HydrophobicContact CB-CD1 3.45Å; M747-I763 VanDerWaalsContact CB-CD1 3.45Å; M747-I763 HydrophobicContact CE-CD1 3.92Å; M747-I763 HydrophobicContact CG-CD1 3.85Å; M747-A766 HydrophobicContact CG-CB 3.93Å; M747-I784 HydrophobicContact CE-CD1 3.61Å; M747-I784 HydrophobicContact SD-CD1 3.83Å; M747-I784 HydrophobicContact SD-CG1 4.45Å
748	D	82.9	Confident	86.6	Confident	126 Å²	126	58.2 Å²	58.2	67%	0.674	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.6	-33.1	173.1	-71.8	-22.3	0	0	0	111.5	G746 R750 R754	G746-D748 VanDerWaalsContact C-N 3.27Å; G746-D748 PolarHBondContact O-N 3.12Å; D748-R750 VanDerWaalsContact C-N 3.34Å; D748-R750 PolarHBondContact O-N 3.45Å; D748-R754 VanDerWaalsContact CA-NH1 3.3Å; D748-R754 IonicContact OD1-CZ 3.9Å; D748-R754 IonicContact OD1-NH1 3.48Å; D748-R754 PolarHBondContact OD1-NH1 3.48Å; D748-R754 IonicContact OD1-NH2 2.7Å; D748-R754 PolarHBondContact OD1-NH2 2.82Å
749	D	83.8	Confident	86.8	Confident	128 Å²	128	65.8 Å²	65.8	68%	0.684	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-90.2	10.4	177.2	-55.3	-52.1	0	0	0	113.5	G746 M747	G746-D749 PolarHBondContact O-N 2.79Å; G746-D749 VanDerWaalsContact O-N 3.15Å; M747-D749 VanDerWaalsContact C-N 3.31Å
750	R	86.4	Confident	87	Confident	93 Å²	93	73.7 Å²	73.7	35%	0.351	36%	0.357	S	S	.	.			trans	-127.3	71.6	-172	-70.8	-171.5	178.7	-70	-11.7	115	L745 G746 M747 D748 E752 L753 R754	L745-R750 PolarHBondContact O-NE 3.31Å; G746-R750 WeakPolarHBondContact O-CG 3.45Å; M747-R750 PolarHBondContact O-N 2.64Å; D748-R750 VanDerWaalsContact C-N 3.34Å; D748-R750 PolarHBondContact O-N 3.45Å; R750-E752 WeakPolarHBondContact CA-OE2 3.45Å; R750-E752 WeakPolarHBondContact CB-OE1 3.4Å; R750-E752 WeakPolarHBondContact CB-OE2 3.49Å; R750-E752 WeakPolarHBondContact CD-OE1 3.25Å; R750-E752 VanDerWaalsContact CG-OE1 3.29Å; R750-E752 WeakPolarHBondContact CG-OE1 3.24Å; R750-E752 IonicContact CZ-OE1 3Å; R750-E752 IonicContact NH1-OE1 3.09Å; R750-E752 PolarHBondContact NH1-OE1 2.86Å; R750-E752 PolarHBondContact O-N 2.91Å; R750-L753 HydrophobicContact CB-CB 4.37Å; R750-L753 HydrophobicContact CB-CD1 4.42Å; R750-L753 HydrophobicContact CB-CG 4.46Å; R750-L753 PolarHBondContact O-N 2.92Å; R750-L753 VanDerWaalsContact O-N 3.11Å; R750-R754 WeakPolarHBondContact O-CG 3.05Å; R750-R754 PolarHBondContact O-N 3.04Å; R750-R754 VanDerWaalsContact O-N 3.09Å
751	P	85.3	Confident	87.1	Confident	96 Å²	96	73.2 Å²	73.2	62%	0.623	36%	0.356	S	S	*	.	H	α-helix	trans	-56.5	-31.4	176.4	25.1	-34.2	0	0	0	112.9	L753 R754 Q755	P751-L753 PolarHBondContact O-N 3.5Å; P751-R754 PolarHBondContact O-N 3.02Å; P751-Q755 PolarHBondContact O-N 2.77Å; P751-Q755 VanDerWaalsContact O-N 3.13Å
752	E	86.9	Confident	87.4	Confident	52 Å²	52	74.8 Å²	74.8	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-21.6	179.4	81.1	-70.5	176.3	0	0	113.9	R750 Q755 F756 E809	R750-E752 WeakPolarHBondContact CA-OE2 3.45Å; R750-E752 WeakPolarHBondContact CB-OE1 3.4Å; R750-E752 WeakPolarHBondContact CB-OE2 3.49Å; R750-E752 WeakPolarHBondContact CD-OE1 3.25Å; R750-E752 VanDerWaalsContact CG-OE1 3.29Å; R750-E752 WeakPolarHBondContact CG-OE1 3.24Å; R750-E752 IonicContact CZ-OE1 3Å; R750-E752 IonicContact NH1-OE1 3.09Å; R750-E752 PolarHBondContact NH1-OE1 2.86Å; R750-E752 PolarHBondContact O-N 2.91Å; E752-Q755 WeakPolarHBondContact O-CG 3.36Å; E752-Q755 PolarHBondContact O-NE2 2.85Å; E752-F756 WeakPolarHBondContact O-CE2 3.21Å; E752-E809 HydrophobicContact CG-CG 4.29Å
753	L	88.2	Confident	87.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-99.1	-33.1	170.9	-63	-179.5	0	0	0	112.4	L745 M747 R750 P751 Q755 F756 I793 E809	L745-L753 HydrophobicContact CD1-CD1 4.03Å; M747-L753 HydrophobicContact CE-CB 3.59Å; M747-L753 HydrophobicContact SD-CB 3.81Å; M747-L753 HydrophobicContact SD-CD1 3.69Å; M747-L753 HydrophobicContact SD-CG 4.42Å; R750-L753 HydrophobicContact CB-CB 4.37Å; R750-L753 HydrophobicContact CB-CD1 4.42Å; R750-L753 HydrophobicContact CB-CG 4.46Å; R750-L753 PolarHBondContact O-N 2.92Å; R750-L753 VanDerWaalsContact O-N 3.11Å; P751-L753 PolarHBondContact O-N 3.5Å; L753-Q755 VanDerWaalsContact C-N 3.26Å; L753-Q755 PolarHBondContact O-N 2.91Å; L753-F756 PolarHBondContact O-N 3.03Å; L753-I793 HydrophobicContact CB-CD1 4.47Å; L753-I793 HydrophobicContact CD2-CB 4.44Å; L753-I793 HydrophobicContact CD2-CD1 3.85Å; L753-I793 HydrophobicContact CD2-CG2 3.92Å; L753-E809 HydrophobicContact CD2-CB 4.47Å; L753-E809 HydrophobicContact CD2-CG 3.62Å
754	R	88.9	Confident	87.7	Confident	84 Å²	84	74.2 Å²	74.2	32%	0.317	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-26.5	179.3	-66.6	-168.2	98.4	98.6	-12.9	113.7	M747 D748 R750 P751 F756 L757	M747-R754 HydrophobicContact CE-CG 4.12Å; M747-R754 VanDerWaalsContact O-CD 3.27Å; M747-R754 WeakPolarHBondContact O-CD 3.2Å; M747-R754 VanDerWaalsContact O-CG 3.31Å; M747-R754 WeakPolarHBondContact O-CG 3.46Å; M747-R754 PolarHBondContact O-NH1 3.08Å; D748-R754 VanDerWaalsContact CA-NH1 3.3Å; D748-R754 IonicContact OD1-CZ 3.9Å; D748-R754 IonicContact OD1-NH1 3.48Å; D748-R754 PolarHBondContact OD1-NH1 3.48Å; D748-R754 IonicContact OD1-NH2 2.7Å; D748-R754 PolarHBondContact OD1-NH2 2.82Å; R750-R754 WeakPolarHBondContact O-CG 3.05Å; R750-R754 PolarHBondContact O-N 3.04Å; R750-R754 VanDerWaalsContact O-N 3.09Å; P751-R754 PolarHBondContact O-N 3.02Å; R754-F756 PolarHBondContact O-N 2.7Å; R754-F756 VanDerWaalsContact O-N 3.08Å; R754-L757 PolarHBondContact O-N 3.17Å
755	Q	88.7	Confident	87.9	Confident	129 Å²	129	72.6 Å²	72.6	60%	0.603	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.1	177.9	63.7	178.2	-30.6	0	0	114.6	P751 E752 L753	P751-Q755 PolarHBondContact O-N 2.77Å; P751-Q755 VanDerWaalsContact O-N 3.13Å; E752-Q755 WeakPolarHBondContact O-CG 3.36Å; E752-Q755 PolarHBondContact O-NE2 2.85Å; L753-Q755 VanDerWaalsContact C-N 3.26Å; L753-Q755 PolarHBondContact O-N 2.91Å
756	F	90.2	Very high	88.2	Confident	50 Å²	50	71.7 Å²	71.7	22%	0.219	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2	177.6	-56.1	-70.5	0	0	0	114	E752 L753 R754 Y791 I793 E809 L811	E752-F756 WeakPolarHBondContact O-CE2 3.21Å; L753-F756 PolarHBondContact O-N 3.03Å; R754-F756 PolarHBondContact O-N 2.7Å; R754-F756 VanDerWaalsContact O-N 3.08Å; F756-Y791 VanDerWaalsContact O-CE1 3.3Å; F756-Y791 WeakPolarHBondContact O-CE1 3.49Å; F756-I793 HydrophobicContact CB-CD1 4.27Å; F756-I793 HydrophobicContact CD2-CD1 3.6Å; F756-I793 HydrophobicContact CD2-CG1 4.12Å; F756-I793 HydrophobicContact CE2-CD1 4.36Å; F756-I793 HydrophobicContact CE2-CG2 4.3Å; F756-I793 HydrophobicContact CG-CD1 4.23Å; F756-E809 HydrophobicContact CE2-CB 3.95Å; F756-E809 HydrophobicContact CZ-CB 4.34Å; F756-E809 WeakPolarHBondContact CZ-O 3.31Å; F756-L811 HydrophobicContact CD1-CB 3.7Å; F756-L811 HydrophobicContact CE1-CB 4.04Å; F756-L811 HydrophobicContact CG-CB 4.27Å
757	L	91	Very high	88.5	Confident	22 Å²	22	71.1 Å²	71.1	12%	0.115	34%	0.335	C	S	.	.	S	Bend	trans	-110.5	159.9	-178.4	-52	179.6	0	0	0	110.5	M747 R754 I763 I784 T786 Y791	M747-L757 HydrophobicContact CE-CD1 3.99Å; R754-L757 PolarHBondContact O-N 3.17Å; L757-I763 HydrophobicContact CD1-CD1 3.93Å; L757-I763 HydrophobicContact CD1-CG1 3.89Å; L757-I784 HydrophobicContact CD1-CG2 4.37Å; L757-I784 HydrophobicContact CD2-CG2 4.42Å; L757-T786 HydrophobicContact CD2-CG2 4.22Å; L757-Y791 HydrophobicContact CD2-CD1 4.05Å; L757-Y791 HydrophobicContact CD2-CD2 3.66Å; L757-Y791 HydrophobicContact CD2-CE1 3.94Å; L757-Y791 HydrophobicContact CD2-CE2 3.54Å; L757-Y791 HydrophobicContact CD2-CG 3.93Å
758	A	85.1	Confident	88.9	Confident	50 Å²	50	73.7 Å²	73.7	41%	0.413	35%	0.346	S	S	.	.			trans	-71.8	153.4	175.9	0	0	0	0	0	111.9	R760 E761	A758-R760 PolarHBondContact O-N 3.34Å; A758-E761 HydrophobicContact CB-CB 4.12Å; A758-E761 WeakPolarHBondContact CB-OE2 3.38Å; A758-E761 PolarHBondContact N-OE2 3.04Å; A758-E761 WeakPolarHBondContact O-CB 3.25Å; A758-E761 PolarHBondContact O-N 3.46Å
759	K	82.4	Confident	89.5	Confident	213 Å²	213	67.9 Å²	67.9	93%	0.926	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.4	177.1	-71.6	-175.9	178.3	178.6	0	110.5	E761	K759-E761 PolarHBondContact O-N 2.97Å
760	R	81.3	Confident	90.1	Very high	255 Å²	255	62.1 Å²	62.1	96%	0.962	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	20.7	-175.6	-56.3	-179.8	176.8	169.9	-0.5	115	A758 K762	A758-R760 PolarHBondContact O-N 3.34Å; R760-K762 PolarHBondContact O-N 3.29Å
761	E	87.5	Confident	90.6	Very high	22 Å²	22	60 Å²	60	10%	0.103	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.3	130.6	174.2	-170.5	166.5	-169.8	0	0	110.9	A758 K759 I763 T786 Y791	A758-E761 HydrophobicContact CB-CB 4.12Å; A758-E761 WeakPolarHBondContact CB-OE2 3.38Å; A758-E761 PolarHBondContact N-OE2 3.04Å; A758-E761 WeakPolarHBondContact O-CB 3.25Å; A758-E761 PolarHBondContact O-N 3.46Å; K759-E761 PolarHBondContact O-N 2.97Å; E761-I763 PolarHBondContact O-N 3.23Å; E761-T786 HydrophobicContact CG-CG2 3.89Å; E761-T786 WeakPolarHBondContact OE1-CB 3.09Å; E761-T786 PolarHBondContact OE1-OG1 2.79Å; E761-Y791 PolarHBondContact OE2-OH 2.85Å
762	K	90.6	Very high	91	Very high	126 Å²	126	56.2 Å²	56.2	55%	0.548	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-72.8	129.9	179	-164.5	-153.5	170.6	-153.8	0	109.8	R760 D764 T786 P787	R760-K762 PolarHBondContact O-N 3.29Å; K762-D764 WeakPolarHBondContact CE-OD1 3.17Å; K762-D764 IonicContact NZ-OD1 3.89Å; K762-D764 PolarHBondContact NZ-OD1 3.16Å; K762-T786 WeakPolarHBondContact O-CB 3.38Å; K762-P787 HydrophobicContact CB-CG 4.44Å; K762-P787 WeakPolarHBondContact O-CD 3.34Å
763	I	93.1	Very high	91.1	Very high	29 Å²	29	55.9 Å²	55.9	15%	0.149	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-88.1	127	168.1	-62.6	158.6	0	0	0	107.5	M747 L757 E761 A766 I784	M747-I763 HydrophobicContact CB-CD1 3.45Å; M747-I763 VanDerWaalsContact CB-CD1 3.45Å; M747-I763 HydrophobicContact CE-CD1 3.92Å; M747-I763 HydrophobicContact CG-CD1 3.85Å; L757-I763 HydrophobicContact CD1-CD1 3.93Å; L757-I763 HydrophobicContact CD1-CG1 3.89Å; E761-I763 PolarHBondContact O-N 3.23Å; I763-A766 HydrophobicContact CG2-CB 4.23Å; I763-I784 HydrophobicContact CG1-CG2 4.43Å; I763-I784 HydrophobicContact CG2-CG2 4.2Å
764	D	92.5	Very high	91	Very high	12 Å²	12	62 Å²	62	6%	0.064	27%	0.274	C	S	.	.	S	Bend	trans	-99	-33.9	173.9	-73.2	-51.2	0	0	0	111.6	G742 K762 L785 P787 L855 R859	G742-D764 VanDerWaalsContact CA-O 3.24Å; G742-D764 WeakPolarHBondContact CA-O 3.35Å; K762-D764 WeakPolarHBondContact CE-OD1 3.17Å; K762-D764 IonicContact NZ-OD1 3.89Å; K762-D764 PolarHBondContact NZ-OD1 3.16Å; D764-L785 HydrophobicContact CB-CG 4.43Å; D764-L785 PolarHBondContact N-O 3.29Å; D764-P787 WeakPolarHBondContact OD2-CD 3.48Å; D764-P787 WeakPolarHBondContact OD2-CG 2.95Å; D764-L855 WeakPolarHBondContact O-CD1 3.27Å; D764-R859 IonicContact OD1-CZ 2.81Å; D764-R859 IonicContact OD1-NE 2.8Å; D764-R859 IonicContact OD1-NH2 3.96Å; D764-R859 PolarHBondContact OD1-NH2 3.17Å; D764-R859 IonicContact OD2-CZ 3.55Å; D764-R859 VanDerWaalsContact OD2-CZ 3.22Å; D764-R859 IonicContact OD2-NE 2.97Å; D764-R859 PolarHBondContact OD2-NE 2.6Å; D764-R859 IonicContact OD2-NH2 3.59Å; D764-R859 PolarHBondContact OD2-NH2 2.73Å
765	F	95.2	Very high	90.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145.2	176.1	171.4	-87.6	0	0	0	112	G742 Y744 D767 L783 I784 L785 F848 E851 F852 L855	G742-F765 CarbonylContact O-C 3.53Å; G742-F765 VanDerWaalsContact O-CA 3.25Å; G742-F765 WeakPolarHBondContact O-CA 3.46Å; G742-F765 WeakPolarHBondContact O-CD2 3.26Å; Y744-F765 HydrophobicContact CD2-CE2 4.08Å; Y744-F765 HydrophobicContact CE2-CD2 4.47Å; Y744-F765 HydrophobicContact CE2-CE2 4.1Å; F765-D767 HydrophobicContact CE1-CB 3.71Å; F765-D767 HydrophobicContact CE2-CB 4.26Å; F765-D767 HydrophobicContact CZ-CB 3.36Å; F765-L783 HydrophobicContact CE1-CD2 4.09Å; F765-L783 HydrophobicContact CE1-CG 4.35Å; F765-I784 CarbonylContact O-C 3.55Å; F765-I784 WeakPolarHBondContact O-CA 3.42Å; F765-L785 HydrophobicContact CB-CB 4.1Å; F765-L785 HydrophobicContact CB-CD2 4.41Å; F765-L785 PolarHBondContact N-O 2.89Å; F765-L785 PolarHBondContact O-N 3.28Å; F765-F848 HydrophobicContact CE2-CB 3.61Å; F765-F848 HydrophobicContact CE2-CG 4.42Å; F765-F848 HydrophobicContact CZ-CB 3.74Å; F765-E851 HydrophobicContact CD2-CG 4.22Å; F765-F852 HydrophobicContact CD1-CB 4.11Å; F765-F852 AromaticContact CD1-CD2 3.59Å; F765-F852 HydrophobicContact CD1-CD2 3.59Å; F765-F852 HydrophobicContact CD1-CG 4.26Å; F765-F852 HydrophobicContact CD2-CB 4.47Å; F765-F852 HydrophobicContact CE1-CB 3.91Å; F765-F852 AromaticContact CE1-CD2 3.83Å; F765-F852 HydrophobicContact CE1-CD2 3.83Å; F765-F852 HydrophobicContact CE1-CG 4.16Å; F765-F852 HydrophobicContact CE2-CB 4.29Å; F765-F852 HydrophobicContact CG-CB 4.38Å; F765-F852 HydrophobicContact CG-CD2 4.31Å; F765-F852 HydrophobicContact CZ-CB 3.99Å; F765-L855 HydrophobicContact CB-CD1 3.86Å
766	A	95.7	Very high	90.9	Very high	0 Å²	0	62 Å²	62	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	129	172.4	0	0	0	0	0	112	G742 Y744 L745 M747 I763 L783 I784	G742-A766 PolarHBondContact O-N 3.08Å; Y744-A766 WeakPolarHBondContact CA-O 3.22Å; Y744-A766 WeakPolarHBondContact CB-O 3.44Å; Y744-A766 PolarHBondContact N-O 3.33Å; L745-A766 HydrophobicContact CB-CB 4.28Å; L745-A766 HydrophobicContact CD1-CB 3.96Å; L745-A766 HydrophobicContact CG-CB 3.97Å; M747-A766 HydrophobicContact CG-CB 3.93Å; I763-A766 HydrophobicContact CG2-CB 4.23Å; A766-L783 CarbonylContact C-O 3.52Å; A766-L783 VanDerWaalsContact CA-O 3.27Å; A766-L783 WeakPolarHBondContact CA-O 3.41Å; A766-I784 HydrophobicContact CB-CG1 4.28Å
767	D	95.9	Very high	91	Very high	7 Å²	7	66.7 Å²	66.7	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.5	179.1	176.9	38.6	0	0	0	112.7	F765 V769 L783 F848	F765-D767 HydrophobicContact CE1-CB 3.71Å; F765-D767 HydrophobicContact CE2-CB 4.26Å; F765-D767 HydrophobicContact CZ-CB 3.36Å; D767-V769 HydrophobicContact CB-CG1 4.48Å; D767-V769 WeakPolarHBondContact OD2-CG1 3.41Å; D767-L783 PolarHBondContact N-O 2.77Å; D767-L783 PolarHBondContact O-N 3.03Å; D767-F848 HydrophobicContact CB-CD2 4.36Å; D767-F848 VanDerWaalsContact CG-CD2 3.48Å; D767-F848 WeakPolarHBondContact OD2-CD2 3.4Å
768	K	94.9	Very high	91	Very high	54 Å²	54	67.4 Å²	67.4	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	84.9	177.7	-168.2	161	-52.8	-130.7	0	112.1	L745 R781 D782 R950	L745-K768 HydrophobicContact CD2-CB 4.03Å; K768-R781 CarbonylContact C-O 3.56Å; K768-R781 WeakPolarHBondContact CA-O 3.18Å; K768-D782 WeakPolarHBondContact CD-OD1 3.34Å; K768-D782 WeakPolarHBondContact CE-OD1 3.25Å; K768-D782 WeakPolarHBondContact CG-OD1 3.41Å; K768-D782 IonicContact NZ-OD1 3.58Å; K768-D782 PolarHBondContact NZ-OD1 2.81Å; K768-D782 IonicContact NZ-OD2 3.19Å; K768-D782 PolarHBondContact NZ-OD2 2.85Å; K768-D782 VanDerWaalsContact NZ-OD2 3.1Å; K768-R950 PolarHBondContact O-NH1 2.8Å
769	V	96.3	Very high	91.4	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	169.2	-175.6	-59.4	0	0	0	0	113.8	D767 K780 R781 L783 L844 E845 C846	D767-V769 HydrophobicContact CB-CG1 4.48Å; D767-V769 WeakPolarHBondContact OD2-CG1 3.41Å; V769-K780 WeakPolarHBondContact O-CA 3.46Å; V769-K780 WeakPolarHBondContact O-CD 3.35Å; V769-R781 HydrophobicContact CG2-CB 4.19Å; V769-R781 WeakPolarHBondContact CG2-O 3.47Å; V769-R781 PolarHBondContact N-O 3.13Å; V769-R781 PolarHBondContact O-N 3.13Å; V769-L783 HydrophobicContact CG1-CB 3.95Å; V769-L783 HydrophobicContact CG1-CD2 3.72Å; V769-L783 HydrophobicContact CG1-CG 4.5Å; V769-L783 HydrophobicContact CG2-CB 3.74Å; V769-L783 HydrophobicContact CG2-CD2 4.4Å; V769-L844 HydrophobicContact CG2-CD2 4.29Å; V769-E845 WeakPolarHBondContact CA-O 3.29Å; V769-E845 VanDerWaalsContact CB-O 3.31Å; V769-E845 WeakPolarHBondContact CB-O 3.2Å; V769-C846 HydrophobicContact CG1-CB 3.69Å
770	T	96.4	Very high	92	Very high	8 Å²	8	63.6 Å²	63.6	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.4	162.5	-41.5	0	0	0	0	109.8	Y772 K780 L844 E845	T770-Y772 HydrophobicContact CG2-CD2 4.32Å; T770-Y772 HydrophobicContact CG2-CE2 3.68Å; T770-K780 PolarHBondContact OG1-NZ 3.23Å; T770-L844 CarbonylContact O-C 3.55Å; T770-L844 VanDerWaalsContact O-CA 3.32Å; T770-L844 WeakPolarHBondContact O-CA 3.4Å; T770-E845 VanDerWaalsContact CB-OE2 3.23Å; T770-E845 WeakPolarHBondContact CB-OE2 3.14Å; T770-E845 PolarHBondContact N-O 2.65Å; T770-E845 VanDerWaalsContact N-O 3.08Å; T770-E845 PolarHBondContact O-N 2.86Å; T770-E845 PolarHBondContact OG1-OE2 3.05Å
771	K	95.7	Very high	92.7	Very high	48 Å²	48	53.1 Å²	53.1	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130	169.9	-167.7	-84.8	171.1	-158.7	0	109	I779 R781 L844	K771-I779 PolarHBondContact N-O 3.08Å; K771-I779 PolarHBondContact O-N 2.71Å; K771-R781 HydrophobicContact CB-CB 4.37Å; K771-R781 HydrophobicContact CB-CG 3.68Å; K771-R781 HydrophobicContact CG-CG 4.47Å; K771-L844 HydrophobicContact CB-CD2 3.75Å; K771-L844 HydrophobicContact CG-CD2 3.61Å
772	Y	93.8	Very high	93.1	Very high	16 Å²	16	52.1 Å²	52.1	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.4	-177.1	-69.3	-98.2	0	0	0	111.6	T770 F776 F832 L843 E845 L908	T770-Y772 HydrophobicContact CG2-CD2 4.32Å; T770-Y772 HydrophobicContact CG2-CE2 3.68Å; Y772-F776 WeakPolarHBondContact CD1-O 3.49Å; Y772-F832 AromaticContact CD2-CE1 3.99Å; Y772-F832 HydrophobicContact CD2-CE1 3.99Å; Y772-F832 HydrophobicContact CE1-CE1 4.45Å; Y772-F832 HydrophobicContact CE2-CD1 4.32Å; Y772-F832 AromaticContact CE2-CE1 3.45Å; Y772-F832 HydrophobicContact CE2-CE1 3.45Å; Y772-F832 VanDerWaalsContact CE2-CE1 3.45Å; Y772-F832 HydrophobicContact CE2-CZ 4.12Å; Y772-F832 AromaticContact CZ-CE1 3.71Å; Y772-F832 AromaticContact CZ-CZ 3.97Å; Y772-L843 HydrophobicContact CD2-CD2 4.14Å; Y772-L843 HydrophobicContact CD2-CG 4.11Å; Y772-L843 HydrophobicContact CG-CD2 3.89Å; Y772-L843 HydrophobicContact CG-CG 4.3Å; Y772-L843 PolarHBondContact N-O 3.21Å; Y772-E845 HydrophobicContact CE2-CB 3.86Å; Y772-L908 HydrophobicContact CE1-CD1 3.8Å
773	D	88.9	Confident	93.4	Very high	46 Å²	46	46.1 Å²	46.1	25%	0.246	21%	0.209	C	C	.	.			trans	-88.4	-176.2	176.8	80.1	3.4	0	0	0	113.3	R775 F776 K777	D773-R775 PolarHBondContact O-N 3.07Å; D773-R775 WeakPolarHBondContact OD1-CA 3.49Å; D773-R775 PolarHBondContact OD1-N 3.3Å; D773-F776 WeakPolarHBondContact O-CA 3.37Å; D773-F776 PolarHBondContact O-N 3.27Å; D773-F776 PolarHBondContact OD1-N 3.09Å; D773-F776 VanDerWaalsContact OD1-N 3.12Å; D773-K777 PolarHBondContact N-O 3.12Å; D773-K777 PolarHBondContact OD1-N 2.8Å
774	R	86.2	Confident	93.6	Very high	127 Å²	127	44.8 Å²	44.8	48%	0.479	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.2	179.1	58.4	171.6	168.7	161.4	-14.7	115.3	L880 E883	R774-L880 HydrophobicContact CB-CD1 3.95Å; R774-L880 HydrophobicContact CB-CD2 4.05Å; R774-E883 VanDerWaalsContact CZ-CD 3.48Å; R774-E883 IonicContact CZ-OE1 2.77Å; R774-E883 IonicContact CZ-OE2 3.21Å; R774-E883 VanDerWaalsContact CZ-OE2 3.23Å; R774-E883 IonicContact NE-OE1 2.83Å; R774-E883 VanDerWaalsContact NH1-CD 3.32Å; R774-E883 IonicContact NH1-OE1 2.67Å; R774-E883 PolarHBondContact NH1-OE1 3.14Å; R774-E883 IonicContact NH1-OE2 2.67Å; R774-E883 PolarHBondContact NH1-OE2 3.29Å; R774-E883 VanDerWaalsContact NH2-CD 3.31Å; R774-E883 IonicContact NH2-OE1 2.71Å; R774-E883 PolarHBondContact NH2-OE1 2.96Å; R774-E883 IonicContact NH2-OE2 2.69Å; R774-E883 PolarHBondContact NH2-OE2 2.83Å
775	R	86.1	Confident	93.8	Very high	201 Å²	201	44.2 Å²	44.2	76%	0.758	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	12.9	171.7	-60.9	-176.8	179.2	-174.7	-0	111.1	D773 K777	D773-R775 PolarHBondContact O-N 3.07Å; D773-R775 WeakPolarHBondContact OD1-CA 3.49Å; D773-R775 PolarHBondContact OD1-N 3.3Å; R775-K777 PolarHBondContact O-N 3.05Å
776	F	90.8	Very high	93.8	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.057	20%	0.199	C	C	.	.			trans	55.6	26.8	-173.3	-50	-72.7	0	0	0	114.4	Y772 D773 G778 L843 M878 R894 V896 P910 S911 S914 L915	Y772-F776 WeakPolarHBondContact CD1-O 3.49Å; D773-F776 WeakPolarHBondContact O-CA 3.37Å; D773-F776 PolarHBondContact O-N 3.27Å; D773-F776 PolarHBondContact OD1-N 3.09Å; D773-F776 VanDerWaalsContact OD1-N 3.12Å; F776-G778 PolarHBondContact O-N 2.89Å; F776-L843 HydrophobicContact CD1-CD2 4.47Å; F776-M878 HydrophobicContact CE1-CE 3.87Å; F776-R894 HydrophobicContact CE1-CB 4.3Å; F776-R894 HydrophobicContact CZ-CB 3.9Å; F776-R894 HydrophobicContact CZ-CG 4.21Å; F776-V896 HydrophobicContact CE1-CG2 4.49Å; F776-P910 HydrophobicContact CB-CB 4.05Å; F776-P910 HydrophobicContact CD2-CB 4.25Å; F776-S911 WeakPolarHBondContact CE2-O 3.4Å; F776-S914 VanDerWaalsContact CE2-O 3.24Å; F776-S914 WeakPolarHBondContact CE2-O 3.23Å; F776-L915 HydrophobicContact CB-CB 4.42Å; F776-L915 HydrophobicContact CB-CD1 4.2Å; F776-L915 HydrophobicContact CB-CD2 4.26Å; F776-L915 HydrophobicContact CD1-CB 3.57Å; F776-L915 HydrophobicContact CD1-CD2 3.85Å; F776-L915 HydrophobicContact CD1-CG 4.25Å; F776-L915 HydrophobicContact CD2-CB 3.94Å; F776-L915 HydrophobicContact CE1-CB 3.58Å; F776-L915 HydrophobicContact CE1-CD2 4.47Å; F776-L915 HydrophobicContact CE2-CB 3.98Å; F776-L915 HydrophobicContact CG-CB 3.72Å; F776-L915 HydrophobicContact CG-CD1 4.38Å; F776-L915 HydrophobicContact CG-CD2 4.22Å; F776-L915 HydrophobicContact CG-CG 4.33Å; F776-L915 HydrophobicContact CZ-CB 3.77Å
777	K	90.9	Very high	93.7	Very high	148 Å²	148	45.9 Å²	45.9	64%	0.643	21%	0.21	S	C	*	.			trans	-76.7	121.2	169.7	-166.6	171.6	-176	172.3	0	108.9	D773 R775	D773-K777 PolarHBondContact N-O 3.12Å; D773-K777 PolarHBondContact OD1-N 2.8Å; R775-K777 PolarHBondContact O-N 3.05Å
778	G	91.8	Very high	93.6	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.6	176.1	0	0	0	0	0	111.7	F776	F776-G778 PolarHBondContact O-N 2.89Å
779	I	93.9	Very high	93.7	Very high	70 Å²	70	48.8 Å²	48.8	36%	0.359	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.7	176.9	-42.8	178.3	0	0	0	108.3	K771 R781	K771-I779 PolarHBondContact N-O 3.08Å; K771-I779 PolarHBondContact O-N 2.71Å; I779-R781 VanDerWaalsContact CG2-NH1 3.31Å
780	K	94.7	Very high	93.7	Very high	112 Å²	112	48.8 Å²	48.8	49%	0.487	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.6	179.3	-62.8	-60.1	-176.5	-176.9	0	111.6	V769 T770	V769-K780 WeakPolarHBondContact O-CA 3.46Å; V769-K780 WeakPolarHBondContact O-CD 3.35Å; T770-K780 PolarHBondContact OG1-NZ 3.23Å
781	R	95.8	Very high	93.7	Very high	35 Å²	35	48.6 Å²	48.6	13%	0.132	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.5	176.5	-69.5	-66.7	175.8	-100.9	8.6	109.1	K768 V769 K771 I779 L792 I793	K768-R781 CarbonylContact C-O 3.56Å; K768-R781 WeakPolarHBondContact CA-O 3.18Å; V769-R781 HydrophobicContact CG2-CB 4.19Å; V769-R781 WeakPolarHBondContact CG2-O 3.47Å; V769-R781 PolarHBondContact N-O 3.13Å; V769-R781 PolarHBondContact O-N 3.13Å; K771-R781 HydrophobicContact CB-CB 4.37Å; K771-R781 HydrophobicContact CB-CG 3.68Å; K771-R781 HydrophobicContact CG-CG 4.47Å; I779-R781 VanDerWaalsContact CG2-NH1 3.31Å; R781-L792 HydrophobicContact CB-CD2 4.18Å; R781-I793 WeakPolarHBondContact CA-O 3.45Å; R781-I793 WeakPolarHBondContact CD-O 3.36Å
782	D	95.9	Very high	93.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.5	171.2	-59.9	4.8	0	0	0	105.9	L745 K768 I793 R795	L745-D782 HydrophobicContact CD1-CB 3.94Å; K768-D782 WeakPolarHBondContact CD-OD1 3.34Å; K768-D782 WeakPolarHBondContact CE-OD1 3.25Å; K768-D782 WeakPolarHBondContact CG-OD1 3.41Å; K768-D782 IonicContact NZ-OD1 3.58Å; K768-D782 PolarHBondContact NZ-OD1 2.81Å; K768-D782 IonicContact NZ-OD2 3.19Å; K768-D782 PolarHBondContact NZ-OD2 2.85Å; K768-D782 VanDerWaalsContact NZ-OD2 3.1Å; D782-I793 HydrophobicContact CB-CB 4.37Å; D782-I793 PolarHBondContact N-O 3.04Å; D782-I793 PolarHBondContact O-N 2.84Å; D782-R795 IonicContact OD1-CZ 3.7Å; D782-R795 IonicContact OD1-NH1 2.8Å; D782-R795 PolarHBondContact OD1-NH1 3.37Å; D782-R795 IonicContact OD2-CZ 2.81Å; D782-R795 IonicContact OD2-NH1 2.68Å; D782-R795 PolarHBondContact OD2-NH1 2.84Å; D782-R795 IonicContact OD2-NH2 3.92Å; D782-R795 PolarHBondContact OD2-NH2 3.45Å
783	L	97.1	Very high	93.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.2	-176.4	169.2	65.8	0	0	0	108.3	F765 A766 D767 V769 V790 Y791 L792 L844 F852	F765-L783 HydrophobicContact CE1-CD2 4.09Å; F765-L783 HydrophobicContact CE1-CG 4.35Å; A766-L783 CarbonylContact C-O 3.52Å; A766-L783 VanDerWaalsContact CA-O 3.27Å; A766-L783 WeakPolarHBondContact CA-O 3.41Å; D767-L783 PolarHBondContact N-O 2.77Å; D767-L783 PolarHBondContact O-N 3.03Å; V769-L783 HydrophobicContact CG1-CB 3.95Å; V769-L783 HydrophobicContact CG1-CD2 3.72Å; V769-L783 HydrophobicContact CG1-CG 4.5Å; V769-L783 HydrophobicContact CG2-CB 3.74Å; V769-L783 HydrophobicContact CG2-CD2 4.4Å; L783-V790 HydrophobicContact CD1-CG1 3.48Å; L783-V790 VanDerWaalsContact CD1-CG1 3.48Å; L783-Y791 WeakPolarHBondContact CA-O 3.39Å; L783-L792 HydrophobicContact CB-CD2 4.14Å; L783-L792 HydrophobicContact CD1-CD2 3.79Å; L783-L792 HydrophobicContact CD1-CG 4.47Å; L783-L844 HydrophobicContact CD2-CD1 4.44Å; L783-F852 HydrophobicContact CD1-CE2 4.02Å; L783-F852 HydrophobicContact CD1-CZ 4.13Å; L783-F852 HydrophobicContact CD2-CD1 4.45Å; L783-F852 HydrophobicContact CD2-CD2 4.04Å; L783-F852 HydrophobicContact CD2-CE1 4.32Å; L783-F852 HydrophobicContact CD2-CE2 3.89Å; L783-F852 HydrophobicContact CD2-CG 4.31Å; L783-F852 HydrophobicContact CD2-CZ 4.04Å; L783-F852 HydrophobicContact CG-CE2 4.14Å
784	I	96.8	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.3	178.9	-52.3	171.5	0	0	0	109.2	M747 L757 I763 F765 A766 V790 Y791 I793	M747-I784 HydrophobicContact CE-CD1 3.61Å; M747-I784 HydrophobicContact SD-CD1 3.83Å; M747-I784 HydrophobicContact SD-CG1 4.45Å; L757-I784 HydrophobicContact CD1-CG2 4.37Å; L757-I784 HydrophobicContact CD2-CG2 4.42Å; I763-I784 HydrophobicContact CG1-CG2 4.43Å; I763-I784 HydrophobicContact CG2-CG2 4.2Å; F765-I784 CarbonylContact O-C 3.55Å; F765-I784 WeakPolarHBondContact O-CA 3.42Å; A766-I784 HydrophobicContact CB-CG1 4.28Å; I784-V790 CarbonylContact O-C 3.53Å; I784-V790 WeakPolarHBondContact O-CA 3.48Å; I784-Y791 PolarHBondContact N-O 3.08Å; I784-Y791 PolarHBondContact O-N 2.86Å; I784-I793 HydrophobicContact CD1-CD1 3.76Å
785	L	96.4	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.6	173.4	173.9	63.5	0	0	0	110.1	D764 F765 V790 V817 F852 L855 L856	D764-L785 HydrophobicContact CB-CG 4.43Å; D764-L785 PolarHBondContact N-O 3.29Å; F765-L785 HydrophobicContact CB-CB 4.1Å; F765-L785 HydrophobicContact CB-CD2 4.41Å; F765-L785 PolarHBondContact N-O 2.89Å; F765-L785 PolarHBondContact O-N 3.28Å; L785-V790 HydrophobicContact CD1-CG2 3.9Å; L785-V817 HydrophobicContact CD1-CG2 4.26Å; L785-F852 HydrophobicContact CB-CD2 4.44Å; L785-F852 HydrophobicContact CB-CE2 4.25Å; L785-F852 HydrophobicContact CD2-CD2 4.34Å; L785-F852 HydrophobicContact CD2-CE2 4.45Å; L785-L855 HydrophobicContact CD2-CB 3.65Å; L785-L856 HydrophobicContact CD1-CD1 3.75Å; L785-L856 HydrophobicContact CD2-CB 4.16Å
786	T	95.6	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.			trans	-119.9	172.2	169.1	77.2	0	0	0	0	110.1	L757 E761 K762 K788 S789 Y791	L757-T786 HydrophobicContact CD2-CG2 4.22Å; E761-T786 HydrophobicContact CG-CG2 3.89Å; E761-T786 WeakPolarHBondContact OE1-CB 3.09Å; E761-T786 PolarHBondContact OE1-OG1 2.79Å; K762-T786 WeakPolarHBondContact O-CB 3.38Å; T786-K788 PolarHBondContact O-N 2.88Å; T786-K788 PolarHBondContact OG1-N 2.89Å; T786-K788 VanDerWaalsContact OG1-N 3.16Å; T786-S789 PolarHBondContact N-O 3.22Å; T786-S789 VanDerWaalsContact N-O 3.07Å; T786-S789 PolarHBondContact OG1-N 2.93Å; T786-S789 VanDerWaalsContact OG1-N 3.15Å; T786-S789 PolarHBondContact OG1-O 3.43Å; T786-Y791 HydrophobicContact CG2-CD2 4.32Å; T786-Y791 HydrophobicContact CG2-CE2 3.78Å
787	P	94.5	Very high	94.1	Very high	36 Å²	36	42.6 Å²	42.6	23%	0.234	20%	0.201	C	C	.	.	S	Bend	trans	-62.4	0.3	170.2	-21.4	31.5	0	0	0	115.5	K762 D764 K863	K762-P787 HydrophobicContact CB-CG 4.44Å; K762-P787 WeakPolarHBondContact O-CD 3.34Å; D764-P787 WeakPolarHBondContact OD2-CD 3.48Å; D764-P787 WeakPolarHBondContact OD2-CG 2.95Å; P787-K863 WeakPolarHBondContact O-CE 3.5Å
788	K	94	Very high	93.7	Very high	120 Å²	120	37 Å²	37	52%	0.522	18%	0.18	S	C	.	.	S	Bend	trans	-118.5	-47.7	-179.5	-62.8	-176.5	178.4	-178.2	0	112.6	T786 V817	T786-K788 PolarHBondContact O-N 2.88Å; T786-K788 PolarHBondContact OG1-N 2.89Å; T786-K788 VanDerWaalsContact OG1-N 3.16Å; K788-V817 WeakPolarHBondContact O-CG2 3.32Å; K788-V817 PolarHBondContact O-N 2.95Å
789	S	95.5	Very high	93.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.3	-168.3	-40.1	0	0	0	0	113	T786 Y791 K814 I815 D816	T786-S789 PolarHBondContact N-O 3.22Å; T786-S789 VanDerWaalsContact N-O 3.07Å; T786-S789 PolarHBondContact OG1-N 2.93Å; T786-S789 VanDerWaalsContact OG1-N 3.15Å; T786-S789 PolarHBondContact OG1-O 3.43Å; S789-Y791 WeakPolarHBondContact O-CD2 3.48Å; S789-Y791 WeakPolarHBondContact O-CE2 3.46Å; S789-K814 VanDerWaalsContact CB-CE 3.49Å; S789-K814 WeakPolarHBondContact OG-CE 3.4Å; S789-I815 CarbonylContact C-O 3.32Å; S789-I815 VanDerWaalsContact CA-O 3.23Å; S789-I815 WeakPolarHBondContact CA-O 3.4Å; S789-I815 WeakPolarHBondContact CB-O 3.3Å; S789-D816 PolarHBondContact OG-OD1 3.32Å
790	V	96.4	Very high	92	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.2	165	179.5	0	0	0	0	108.6	L783 I784 L785 K814 I815 I820 L835 F852 L856	L783-V790 HydrophobicContact CD1-CG1 3.48Å; L783-V790 VanDerWaalsContact CD1-CG1 3.48Å; I784-V790 CarbonylContact O-C 3.53Å; I784-V790 WeakPolarHBondContact O-CA 3.48Å; L785-V790 HydrophobicContact CD1-CG2 3.9Å; V790-K814 CarbonylContact O-C 3.58Å; V790-K814 WeakPolarHBondContact O-CA 3.49Å; V790-I815 HydrophobicContact CB-CB 4.48Å; V790-I815 PolarHBondContact N-O 2.92Å; V790-I815 PolarHBondContact O-N 3.2Å; V790-I820 HydrophobicContact CG2-CD1 3.96Å; V790-L835 HydrophobicContact CG1-CD1 4.38Å; V790-F852 HydrophobicContact CG1-CZ 4.35Å; V790-F852 HydrophobicContact CG2-CZ 4.44Å; V790-L856 HydrophobicContact CG2-CD1 3.78Å
791	Y	96.4	Very high	91.3	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.4	179.2	-57.5	-103.7	0	0	0	109.9	F756 L757 E761 L783 I784 T786 S789 L811 K814	F756-Y791 VanDerWaalsContact O-CE1 3.3Å; F756-Y791 WeakPolarHBondContact O-CE1 3.49Å; L757-Y791 HydrophobicContact CD2-CD1 4.05Å; L757-Y791 HydrophobicContact CD2-CD2 3.66Å; L757-Y791 HydrophobicContact CD2-CE1 3.94Å; L757-Y791 HydrophobicContact CD2-CE2 3.54Å; L757-Y791 HydrophobicContact CD2-CG 3.93Å; E761-Y791 PolarHBondContact OE2-OH 2.85Å; L783-Y791 WeakPolarHBondContact CA-O 3.39Å; I784-Y791 PolarHBondContact N-O 3.08Å; I784-Y791 PolarHBondContact O-N 2.86Å; T786-Y791 HydrophobicContact CG2-CD2 4.32Å; T786-Y791 HydrophobicContact CG2-CE2 3.78Å; S789-Y791 WeakPolarHBondContact O-CD2 3.48Å; S789-Y791 WeakPolarHBondContact O-CE2 3.46Å; Y791-L811 HydrophobicContact CD1-CD1 4Å; Y791-K814 HydrophobicContact CD1-CB 4.3Å; Y791-K814 HydrophobicContact CD1-CD 4.25Å; Y791-K814 HydrophobicContact CD1-CG 4.03Å; Y791-K814 HydrophobicContact CE1-CD 3.63Å; Y791-K814 HydrophobicContact CE1-CG 3.85Å; Y791-K814 WeakPolarHBondContact OH-CE 3.45Å; Y791-K814 PolarHBondContact OH-NZ 3.3Å
792	L	95.7	Very high	90.1	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	103.5	171.8	-74.1	172.6	0	0	0	108.8	R781 L783 K812 R813 L844	R781-L792 HydrophobicContact CB-CD2 4.18Å; L783-L792 HydrophobicContact CB-CD2 4.14Å; L783-L792 HydrophobicContact CD1-CD2 3.79Å; L783-L792 HydrophobicContact CD1-CG 4.47Å; L792-K812 WeakPolarHBondContact O-CA 3.48Å; L792-K812 PolarHBondContact O-N 3.4Å; L792-R813 HydrophobicContact CB-CB 4.24Å; L792-R813 HydrophobicContact CD1-CB 4.33Å; L792-R813 PolarHBondContact N-O 2.85Å; L792-R813 PolarHBondContact O-N 2.86Å; L792-R813 VanDerWaalsContact O-N 3.17Å; L792-L844 HydrophobicContact CD1-CD2 4.38Å; L792-L844 HydrophobicContact CD2-CD2 4.08Å
793	I	95.4	Very high	89.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	178.4	-60.9	165.3	0	0	0	109.1	L753 F756 R781 D782 I784 E809 L811	L753-I793 HydrophobicContact CB-CD1 4.47Å; L753-I793 HydrophobicContact CD2-CB 4.44Å; L753-I793 HydrophobicContact CD2-CD1 3.85Å; L753-I793 HydrophobicContact CD2-CG2 3.92Å; F756-I793 HydrophobicContact CB-CD1 4.27Å; F756-I793 HydrophobicContact CD2-CD1 3.6Å; F756-I793 HydrophobicContact CD2-CG1 4.12Å; F756-I793 HydrophobicContact CE2-CD1 4.36Å; F756-I793 HydrophobicContact CE2-CG2 4.3Å; F756-I793 HydrophobicContact CG-CD1 4.23Å; R781-I793 WeakPolarHBondContact CA-O 3.45Å; R781-I793 WeakPolarHBondContact CD-O 3.36Å; D782-I793 HydrophobicContact CB-CB 4.37Å; D782-I793 PolarHBondContact N-O 3.04Å; D782-I793 PolarHBondContact O-N 2.84Å; I784-I793 HydrophobicContact CD1-CD1 3.76Å; I793-E809 HydrophobicContact CG2-CB 4.06Å; I793-E809 HydrophobicContact CG2-CG 4.2Å; I793-L811 HydrophobicContact CG1-CD1 4.21Å
794	G	92.8	Very high	88.2	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-177.4	173.7	0	0	0	0	0	111.9	E809 V810	G794-E809 WeakPolarHBondContact O-CA 3.38Å; G794-V810 PolarHBondContact N-O 2.94Å; G794-V810 PolarHBondContact O-N 2.7Å
795	R	90.9	Very high	87.3	Confident	80 Å²	80	64.7 Å²	64.7	30%	0.302	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.5	176.7	-72.6	173.9	176.3	79.6	16.6	108.8	D782 V807 T808 E809	D782-R795 IonicContact OD1-CZ 3.7Å; D782-R795 IonicContact OD1-NH1 2.8Å; D782-R795 PolarHBondContact OD1-NH1 3.37Å; D782-R795 IonicContact OD2-CZ 2.81Å; D782-R795 IonicContact OD2-NH1 2.68Å; D782-R795 PolarHBondContact OD2-NH1 2.84Å; D782-R795 IonicContact OD2-NH2 3.92Å; D782-R795 PolarHBondContact OD2-NH2 3.45Å; R795-V807 HydrophobicContact CB-CG1 3.84Å; R795-V807 HydrophobicContact CG-CG1 4.34Å; R795-T808 WeakPolarHBondContact CA-O 3.19Å; R795-E809 IonicContact CZ-OE1 3.18Å; R795-E809 IonicContact NE-OE1 2.87Å; R795-E809 PolarHBondContact NE-OE1 3.29Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 2.96Å
796	E	88.6	Confident	86.7	Confident	93 Å²	93	69.7 Å²	69.7	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.5	178.9	-75.5	179	174.7	0	0	110.5	V807 T808 K812	E796-V807 CarbonylContact O-C 3.58Å; E796-V807 WeakPolarHBondContact O-CA 3.43Å; E796-T808 PolarHBondContact N-O 3.21Å; E796-T808 VanDerWaalsContact N-O 3.07Å; E796-T808 PolarHBondContact O-N 2.94Å; E796-K812 WeakPolarHBondContact OE1-CE 3.46Å; E796-K812 IonicContact OE1-NZ 3.1Å; E796-K812 PolarHBondContact OE1-NZ 3.17Å; E796-K812 WeakPolarHBondContact OE2-CE 2.84Å; E796-K812 IonicContact OE2-NZ 2.77Å; E796-K812 PolarHBondContact OE2-NZ 3.28Å
797	K	86.8	Confident	86.1	Confident	143 Å²	143	73.3 Å²	73.3	62%	0.622	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	129.3	171.8	-71.6	-169.1	173.6	-166.1	0	109.9	K799 Q806 V807	K797-K799 PolarHBondContact O-N 2.97Å; K797-Q806 CarbonylContact C-O 3.49Å; K797-Q806 VanDerWaalsContact CA-O 3.31Å; K797-Q806 WeakPolarHBondContact CA-O 3.41Å; K797-V807 HydrophobicContact CG-CG2 3.91Å
798	V	82.9	Confident	85.8	Confident	32 Å²	32	73.5 Å²	73.5	19%	0.194	38%	0.378	C	S	.	.			trans	-58.5	127.5	170.2	176.3	0	0	0	0	108.8	Q800 E803 K804 G805 Q806 T808	V798-Q800 WeakPolarHBondContact CG1-O 3.13Å; V798-E803 HydrophobicContact CB-CB 4.49Å; V798-E803 HydrophobicContact CG1-CB 4.18Å; V798-K804 WeakPolarHBondContact O-CA 3.24Å; V798-G805 PolarHBondContact O-N 2.78Å; V798-Q806 PolarHBondContact N-O 3.41Å; V798-T808 HydrophobicContact CG2-CG2 3.75Å
799	K	79.7	Confident	85.6	Confident	176 Å²	176	69.7 Å²	69.7	77%	0.765	36%	0.362	S	S	*	.			trans	-96.6	-22.4	-170.3	-62.7	-173.9	-174.6	179.4	0	114.4	K797	K797-K799 PolarHBondContact O-N 2.97Å
800	Q	70	Confident	85.5	Confident	169 Å²	169	71.7 Å²	71.7	79%	0.79	37%	0.374	S	S	*	.	S	Bend	trans	-146.4	159.9	-172.1	-68.8	175.9	-19.4	0	0	109.1	V798	V798-Q800 WeakPolarHBondContact CG1-O 3.13Å
801	G	79.4	Confident	85.4	Confident	53 Å²	53	74.4 Å²	74.4	55%	0.546	39%	0.388	S	S	.	.	S	Bend	trans	86.7	179	-174.6	0	0	0	0	0	113.8	E803 K804	G801-E803 VanDerWaalsContact C-N 3.29Å; G801-E803 PolarHBondContact O-N 3.03Å; G801-K804 VanDerWaalsContact O-CB 3.26Å; G801-K804 WeakPolarHBondContact O-CB 3.33Å; G801-K804 PolarHBondContact O-N 3.38Å
802	P	71	Confident	85.2	Confident	143 Å²	143	77.6 Å²	77.6	93%	0.929	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-27.9	-175.7	25.8	-34.2	0	0	0	113.5	K804	P802-K804 PolarHBondContact O-N 3.26Å
803	E	77.8	Confident	85.1	Confident	106 Å²	106	78.1 Å²	78.1	50%	0.495	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	11.4	177.3	-58.6	-177.5	165.8	0	0	113.5	V798 G801 G805 Q806	V798-E803 HydrophobicContact CB-CB 4.49Å; V798-E803 HydrophobicContact CG1-CB 4.18Å; G801-E803 VanDerWaalsContact C-N 3.29Å; G801-E803 PolarHBondContact O-N 3.03Å; E803-G805 PolarHBondContact O-N 2.74Å; E803-G805 VanDerWaalsContact O-N 3.11Å; E803-Q806 HydrophobicContact CB-CB 4.29Å; E803-Q806 WeakPolarHBondContact O-CB 3.35Å; E803-Q806 PolarHBondContact O-N 3.3Å
804	K	76.1	Confident	85.1	Confident	154 Å²	154	83 Å²	83	67%	0.67	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	118.1	-174.2	178.7	-179.8	179.6	-171.6	0	112.1	V798 G801 P802	V798-K804 WeakPolarHBondContact O-CA 3.24Å; G801-K804 VanDerWaalsContact O-CB 3.26Å; G801-K804 WeakPolarHBondContact O-CB 3.33Å; G801-K804 PolarHBondContact O-N 3.38Å; P802-K804 PolarHBondContact O-N 3.26Å
805	G	76.5	Confident	85.2	Confident	37 Å²	37	83.2 Å²	83.2	38%	0.381	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-19.9	-177.9	0	0	0	0	0	114.5	V798 E803	V798-G805 PolarHBondContact O-N 2.78Å; E803-G805 PolarHBondContact O-N 2.74Å; E803-G805 VanDerWaalsContact O-N 3.11Å
806	Q	83.8	Confident	85.4	Confident	105 Å²	105	81.2 Å²	81.2	49%	0.491	42%	0.421	S	S	.	.			trans	-61	141.3	172.5	-172.7	168	-23.4	0	0	110.3	K797 V798 E803	K797-Q806 CarbonylContact C-O 3.49Å; K797-Q806 VanDerWaalsContact CA-O 3.31Å; K797-Q806 WeakPolarHBondContact CA-O 3.41Å; V798-Q806 PolarHBondContact N-O 3.41Å; E803-Q806 HydrophobicContact CB-CB 4.29Å; E803-Q806 WeakPolarHBondContact O-CB 3.35Å; E803-Q806 PolarHBondContact O-N 3.3Å
807	V	84.4	Confident	85.7	Confident	76 Å²	76	76.8 Å²	76.8	46%	0.461	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.6	176.1	177.4	0	0	0	0	108.4	R795 E796 K797	R795-V807 HydrophobicContact CB-CG1 3.84Å; R795-V807 HydrophobicContact CG-CG1 4.34Å; E796-V807 CarbonylContact O-C 3.58Å; E796-V807 WeakPolarHBondContact O-CA 3.43Å; K797-V807 HydrophobicContact CG-CG2 3.91Å
808	T	87.9	Confident	86	Confident	39 Å²	39	75.3 Å²	75.3	24%	0.239	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145	177.8	52.2	0	0	0	0	111.7	R795 E796 V798	R795-T808 WeakPolarHBondContact CA-O 3.19Å; E796-T808 PolarHBondContact N-O 3.21Å; E796-T808 VanDerWaalsContact N-O 3.07Å; E796-T808 PolarHBondContact O-N 2.94Å; V798-T808 HydrophobicContact CG2-CG2 3.75Å
809	E	90.6	Very high	86.6	Confident	41 Å²	41	78.4 Å²	78.4	19%	0.192	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	132.4	167.9	-81.8	57.3	-147.8	0	0	110.3	E752 L753 F756 I793 G794 R795	E752-E809 HydrophobicContact CG-CG 4.29Å; L753-E809 HydrophobicContact CD2-CB 4.47Å; L753-E809 HydrophobicContact CD2-CG 3.62Å; F756-E809 HydrophobicContact CE2-CB 3.95Å; F756-E809 HydrophobicContact CZ-CB 4.34Å; F756-E809 WeakPolarHBondContact CZ-O 3.31Å; I793-E809 HydrophobicContact CG2-CB 4.06Å; I793-E809 HydrophobicContact CG2-CG 4.2Å; G794-E809 WeakPolarHBondContact O-CA 3.38Å; R795-E809 IonicContact CZ-OE1 3.18Å; R795-E809 IonicContact NE-OE1 2.87Å; R795-E809 PolarHBondContact NE-OE1 3.29Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 2.96Å
810	V	91.8	Very high	87.4	Confident	43 Å²	43	70.1 Å²	70.1	26%	0.261	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.1	179.5	-178.2	0	0	0	0	109.6	G794 K812	G794-V810 PolarHBondContact N-O 2.94Å; G794-V810 PolarHBondContact O-N 2.7Å; V810-K812 HydrophobicContact CG1-CD 4.21Å; V810-K812 PolarHBondContact O-N 3.13Å
811	L	94.3	Very high	88.6	Confident	59 Å²	59	67 Å²	67	31%	0.309	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	118.1	172.4	-178.6	61.4	0	0	0	110.3	F756 Y791 I793 R813 K814	F756-L811 HydrophobicContact CD1-CB 3.7Å; F756-L811 HydrophobicContact CE1-CB 4.04Å; F756-L811 HydrophobicContact CG-CB 4.27Å; Y791-L811 HydrophobicContact CD1-CD1 4Å; I793-L811 HydrophobicContact CG1-CD1 4.21Å; L811-R813 WeakPolarHBondContact CD1-O 3.11Å; L811-K814 HydrophobicContact CD2-CB 4.41Å
812	K	93.8	Very high	89.4	Confident	71 Å²	71	64.6 Å²	64.6	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-21.1	-178.8	-65.1	-52.9	177.1	-174.2	0	114.3	L792 E796 V810	L792-K812 WeakPolarHBondContact O-CA 3.48Å; L792-K812 PolarHBondContact O-N 3.4Å; E796-K812 WeakPolarHBondContact OE1-CE 3.46Å; E796-K812 IonicContact OE1-NZ 3.1Å; E796-K812 PolarHBondContact OE1-NZ 3.17Å; E796-K812 WeakPolarHBondContact OE2-CE 2.84Å; E796-K812 IonicContact OE2-NZ 2.77Å; E796-K812 PolarHBondContact OE2-NZ 3.28Å; V810-K812 HydrophobicContact CG1-CD 4.21Å; V810-K812 PolarHBondContact O-N 3.13Å
813	R	93	Very high	90.7	Very high	20 Å²	20	57.8 Å²	57.8	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	143	164	-157.7	173.8	-177.6	174.5	2.5	110.2	L792 L811 I815 E837 Y840 S842	L792-R813 HydrophobicContact CB-CB 4.24Å; L792-R813 HydrophobicContact CD1-CB 4.33Å; L792-R813 PolarHBondContact N-O 2.85Å; L792-R813 PolarHBondContact O-N 2.86Å; L792-R813 VanDerWaalsContact O-N 3.17Å; L811-R813 WeakPolarHBondContact CD1-O 3.11Å; R813-I815 HydrophobicContact CG-CD1 4.44Å; R813-I815 HydrophobicContact CG-CG1 3.87Å; R813-E837 IonicContact CZ-OE2 2.68Å; R813-E837 IonicContact NH2-OE2 3.79Å; R813-E837 PolarHBondContact NH2-OE2 2.77Å; R813-Y840 WeakPolarHBondContact CD-OH 3.29Å; R813-Y840 VanDerWaalsContact CZ-CZ 3.48Å; R813-Y840 VanDerWaalsContact CZ-O 3.24Å; R813-Y840 PolarHBondContact NH1-O 3.13Å; R813-Y840 PolarHBondContact NH2-O 3.35Å; R813-S842 PolarHBondContact NH1-OG 3.08Å
814	K	94.9	Very high	91.6	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.2	158.3	-179.7	179.4	177.5	173.7	0	106.8	S789 V790 Y791 L811 D816	S789-K814 VanDerWaalsContact CB-CE 3.49Å; S789-K814 WeakPolarHBondContact OG-CE 3.4Å; V790-K814 CarbonylContact O-C 3.58Å; V790-K814 WeakPolarHBondContact O-CA 3.49Å; Y791-K814 HydrophobicContact CD1-CB 4.3Å; Y791-K814 HydrophobicContact CD1-CD 4.25Å; Y791-K814 HydrophobicContact CD1-CG 4.03Å; Y791-K814 HydrophobicContact CE1-CD 3.63Å; Y791-K814 HydrophobicContact CE1-CG 3.85Å; Y791-K814 WeakPolarHBondContact OH-CE 3.45Å; Y791-K814 PolarHBondContact OH-NZ 3.3Å; L811-K814 HydrophobicContact CD2-CB 4.41Å; K814-D816 VanDerWaalsContact CE-OD1 3.28Å; K814-D816 WeakPolarHBondContact CE-OD1 3.37Å
815	I	95.2	Very high	92.5	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.5	174.6	-50.4	177.5	0	0	0	106.5	S789 V790 R813 I820 L835 E837	S789-I815 CarbonylContact C-O 3.32Å; S789-I815 VanDerWaalsContact CA-O 3.23Å; S789-I815 WeakPolarHBondContact CA-O 3.4Å; S789-I815 WeakPolarHBondContact CB-O 3.3Å; V790-I815 HydrophobicContact CB-CB 4.48Å; V790-I815 PolarHBondContact N-O 2.92Å; V790-I815 PolarHBondContact O-N 3.2Å; R813-I815 HydrophobicContact CG-CD1 4.44Å; R813-I815 HydrophobicContact CG-CG1 3.87Å; I815-I820 HydrophobicContact CG2-CD1 4.33Å; I815-I820 HydrophobicContact CG2-CG1 3.7Å; I815-L835 HydrophobicContact CD1-CD1 4.21Å; I815-L835 HydrophobicContact CD1-CD2 3.53Å; I815-E837 HydrophobicContact CG2-CG 3.72Å
816	D	95.1	Very high	93.4	Very high	38 Å²	38	44 Å²	44	20%	0.203	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.3	175.2	-52.7	-53.2	0	0	0	109.4	S789 K814 E818 K819	S789-D816 PolarHBondContact OG-OD1 3.32Å; K814-D816 VanDerWaalsContact CE-OD1 3.28Å; K814-D816 WeakPolarHBondContact CE-OD1 3.37Å; D816-E818 HydrophobicContact CB-CG 4.37Å; D816-E818 PolarHBondContact O-N 3.29Å; D816-E818 VanDerWaalsContact O-N 3.15Å; D816-K819 HydrophobicContact CB-CD 4.09Å; D816-K819 HydrophobicContact CB-CG 4.42Å; D816-K819 WeakPolarHBondContact O-CB 3.23Å; D816-K819 PolarHBondContact O-N 3.47Å; D816-K819 IonicContact OD2-NZ 3.5Å; D816-K819 PolarHBondContact OD2-NZ 3.48Å
817	V	95.1	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.1	-38.9	-166.7	166.6	0	0	0	0	111.6	L785 K788 K819 I820 L856 R859 F860	L785-V817 HydrophobicContact CD1-CG2 4.26Å; K788-V817 WeakPolarHBondContact O-CG2 3.32Å; K788-V817 PolarHBondContact O-N 2.95Å; V817-K819 PolarHBondContact O-N 3.39Å; V817-I820 WeakPolarHBondContact O-CB 3.5Å; V817-I820 WeakPolarHBondContact O-CG1 3.31Å; V817-I820 PolarHBondContact O-N 2.84Å; V817-L856 HydrophobicContact CG1-CD1 4.3Å; V817-L856 HydrophobicContact CG2-CD1 4.08Å; V817-R859 HydrophobicContact CG1-CB 4.25Å; V817-F860 HydrophobicContact CG1-CB 3.95Å; V817-F860 HydrophobicContact CG1-CD2 4.28Å; V817-F860 VanDerWaalsContact O-CD2 3.31Å; V817-F860 WeakPolarHBondContact O-CD2 3.4Å
818	E	93.6	Very high	94.3	Very high	111 Å²	111	37.1 Å²	37.1	52%	0.519	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-62	-19.7	176.5	66.6	-154.8	-164.7	0	0	115.4	D816 T864	D816-E818 HydrophobicContact CB-CG 4.37Å; D816-E818 PolarHBondContact O-N 3.29Å; D816-E818 VanDerWaalsContact O-N 3.15Å; E818-T864 HydrophobicContact CB-CG2 4.11Å
819	K	94.6	Very high	94.4	Very high	98 Å²	98	35.3 Å²	35.3	43%	0.426	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-89	-3.2	-179.7	-61.7	173.2	-175.6	162.3	0	113.2	D816 V817 L821	D816-K819 HydrophobicContact CB-CD 4.09Å; D816-K819 HydrophobicContact CB-CG 4.42Å; D816-K819 WeakPolarHBondContact O-CB 3.23Å; D816-K819 PolarHBondContact O-N 3.47Å; D816-K819 IonicContact OD2-NZ 3.5Å; D816-K819 PolarHBondContact OD2-NZ 3.48Å; V817-K819 PolarHBondContact O-N 3.39Å; K819-L821 PolarHBondContact O-N 2.93Å
820	I	96.4	Very high	94.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.2	-177.7	-58.9	173.4	0	0	0	109.1	V790 I815 V817 L823 L835 L856 F860 L868	V790-I820 HydrophobicContact CG2-CD1 3.96Å; I815-I820 HydrophobicContact CG2-CD1 4.33Å; I815-I820 HydrophobicContact CG2-CG1 3.7Å; V817-I820 WeakPolarHBondContact O-CB 3.5Å; V817-I820 WeakPolarHBondContact O-CG1 3.31Å; V817-I820 PolarHBondContact O-N 2.84Å; I820-L823 HydrophobicContact CG2-CD2 4.4Å; I820-L835 HydrophobicContact CD1-CD1 4.29Å; I820-L835 HydrophobicContact CG1-CD2 4.16Å; I820-L835 HydrophobicContact CG2-CD2 4.08Å; I820-L835 HydrophobicContact CG2-CG 4.14Å; I820-L856 HydrophobicContact CD1-CD1 3.77Å; I820-L856 HydrophobicContact CD1-CD2 4.12Å; I820-L856 HydrophobicContact CD1-CG 4.42Å; I820-F860 WeakPolarHBondContact O-CE2 3.12Å; I820-L868 HydrophobicContact CG2-CD1 3.98Å
821	L	95.8	Very high	94.6	Very high	102 Å²	102	32 Å²	32	53%	0.534	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-36.7	-172	-59.2	177.8	0	0	0	112.7	K819 H836	K819-L821 PolarHBondContact O-N 2.93Å; L821-H836 HydrophobicContact CB-CB 4.35Å; L821-H836 PolarHBondContact N-O 3.17Å
822	A	96.5	Very high	94.6	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	166.8	-179.9	0	0	0	0	0	110.6	H836 P869 K871	A822-H836 HydrophobicContact CB-CB 4.32Å; A822-H836 WeakPolarHBondContact O-CB 3.22Å; A822-H836 PolarHBondContact O-N 3.06Å; A822-P869 CarbonylContact C-O 3.56Å; A822-P869 VanDerWaalsContact CA-O 3.31Å; A822-P869 WeakPolarHBondContact CA-O 3.29Å; A822-P869 HydrophobicContact CB-CB 4.07Å; A822-P869 WeakPolarHBondContact CB-O 3.27Å; A822-K871 HydrophobicContact CB-CD 4.44Å
823	L	96.9	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.5	155.2	-55.1	-178.3	0	0	0	109.8	I820 L825 I833 I834 L835 I853 L856 L868 P869 L870 K871	I820-L823 HydrophobicContact CG2-CD2 4.4Å; L823-L825 HydrophobicContact CB-CD1 4.34Å; L823-I833 HydrophobicContact CB-CG2 4.22Å; L823-I833 HydrophobicContact CD1-CG2 4.26Å; L823-I833 HydrophobicContact CD2-CG2 4.16Å; L823-I833 HydrophobicContact CG-CG2 4.46Å; L823-I834 CarbonylContact C-O 3.44Å; L823-I834 VanDerWaalsContact CA-O 3.31Å; L823-I834 WeakPolarHBondContact CA-O 3.39Å; L823-L835 HydrophobicContact CD2-CB 3.91Å; L823-L835 HydrophobicContact CD2-CG 3.87Å; L823-I853 HydrophobicContact CD1-CB 4.39Å; L823-I853 HydrophobicContact CD1-CG1 3.8Å; L823-I853 HydrophobicContact CD1-CG2 4.11Å; L823-L856 HydrophobicContact CD1-CD2 4.25Å; L823-L856 HydrophobicContact CD2-CD2 4.2Å; L823-L868 HydrophobicContact CD1-CD2 4.01Å; L823-L868 HydrophobicContact CG-CD2 4.05Å; L823-P869 PolarHBondContact N-O 3.09Å; L823-L870 HydrophobicContact CB-CD2 3.86Å; L823-L870 HydrophobicContact CD1-CD2 3.9Å; L823-L870 HydrophobicContact CG-CD2 4.11Å; L823-K871 PolarHBondContact O-N 3.32Å
824	S	96.6	Very high	94.9	Very high	8 Å²	8	25.1 Å²	25.1	6%	0.056	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.1	167.7	-61.6	0	0	0	0	111.8	I834 H836 K871	S824-I834 PolarHBondContact N-O 3.28Å; S824-I834 PolarHBondContact O-N 3.39Å; S824-H836 VanDerWaalsContact CB-NE2 3.33Å; S824-H836 WeakPolarHBondContact CB-NE2 3.46Å; S824-H836 PolarHBondContact OG-NE2 2.86Å; S824-K871 WeakPolarHBondContact CA-O 3.5Å
825	L	96	Very high	95	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.1	177.3	-64.5	95.9	0	0	0	111	L725 K729 L823 K849 I853 K871 F872 N873	L725-L825 HydrophobicContact CD2-CD2 4.42Å; K729-L825 HydrophobicContact CD-CB 4.17Å; K729-L825 HydrophobicContact CD-CD2 3.77Å; L823-L825 HydrophobicContact CB-CD1 4.34Å; L825-K849 HydrophobicContact CD2-CD 4.42Å; L825-I853 HydrophobicContact CD1-CD1 4.3Å; L825-I853 HydrophobicContact CD2-CD1 3.72Å; L825-K871 PolarHBondContact N-O 2.69Å; L825-F872 HydrophobicContact CB-CD1 4.09Å; L825-F872 HydrophobicContact CB-CE1 4.1Å; L825-F872 HydrophobicContact CD1-CE1 4.26Å; L825-F872 HydrophobicContact CD1-CZ 4.39Å; L825-F872 WeakPolarHBondContact O-CA 3.39Å; L825-N873 PolarHBondContact O-N 2.53Å; L825-N873 VanDerWaalsContact O-N 3.1Å
826	S	95	Very high	95	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.			trans	-69.7	162.9	164.3	126.2	0	0	0	0	111.4	K729 L828 D830 N873	K729-S826 VanDerWaalsContact CD-O 3.24Å; K729-S826 WeakPolarHBondContact CD-O 3.13Å; K729-S826 VanDerWaalsContact CG-O 3.3Å; K729-S826 WeakPolarHBondContact CG-O 3.44Å; K729-S826 PolarHBondContact NZ-O 2.87Å; S826-L828 PolarHBondContact OG-N 3.12Å; S826-D830 VanDerWaalsContact CB-OD2 3.28Å; S826-D830 WeakPolarHBondContact CB-OD2 3.37Å; S826-D830 PolarHBondContact OG-OD2 3.35Å; S826-N873 WeakPolarHBondContact CA-O 3.21Å
827	T	93.3	Very high	94.9	Very high	24 Å²	24	20.1 Å²	20.1	15%	0.147	10%	0.099	C	C	.	.	S	Bend	trans	-85.5	-6.3	173.9	80.8	0	0	0	0	113.9	R728 K729 D730 F872 N874 K925	R728-T827 WeakPolarHBondContact O-CB 3.36Å; K729-T827 CarbonylContact C-O 3.59Å; K729-T827 WeakPolarHBondContact CA-O 3.25Å; D730-T827 PolarHBondContact N-O 2.86Å; T827-F872 HydrophobicContact CG2-CB 4.33Å; T827-N874 WeakPolarHBondContact CB-OD1 3.34Å; T827-N874 WeakPolarHBondContact CG2-OD1 3.36Å; T827-N874 PolarHBondContact N-OD1 2.7Å; T827-N874 PolarHBondContact OG1-OD1 2.64Å; T827-K925 VanDerWaalsContact CB-NZ 3.28Å; T827-K925 VanDerWaalsContact O-CE 3.27Å; T827-K925 WeakPolarHBondContact O-CE 3.47Å; T827-K925 PolarHBondContact OG1-NZ 3.43Å
828	L	93.2	Very high	94.5	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	13%	0.133	C	C	.	.	S	Bend	trans	-85.1	176.2	178	-51.3	-177.7	0	0	0	112.1	K729 S826 D830 F898 V899 I919	K729-L828 WeakPolarHBondContact CE-O 3.27Å; K729-L828 WeakPolarHBondContact CG-O 3.44Å; K729-L828 PolarHBondContact NZ-O 2.91Å; S826-L828 PolarHBondContact OG-N 3.12Å; L828-D830 PolarHBondContact O-N 3.14Å; L828-D830 VanDerWaalsContact O-N 3.16Å; L828-F898 HydrophobicContact CD1-CB 4.13Å; L828-V899 WeakPolarHBondContact CD1-O 3.46Å; L828-I919 HydrophobicContact CB-CG2 3.9Å; L828-I919 HydrophobicContact CD1-CG2 3.97Å
829	Q	91.3	Very high	94.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-74.8	-3.2	-172.3	61	160.5	-17.4	0	0	116.1	D730 R732 K849 D904 I919 G920 P921 G922	D730-Q829 HydrophobicContact CB-CB 4.06Å; D730-Q829 WeakPolarHBondContact O-CA 3.49Å; R732-Q829 VanDerWaalsContact CA-OE1 3.3Å; R732-Q829 HydrophobicContact CB-CB 4.29Å; Q829-K849 PolarHBondContact O-NZ 3.46Å; Q829-K849 VanDerWaalsContact O-NZ 3.16Å; Q829-D904 PolarHBondContact NE2-OD1 2.82Å; Q829-I919 HydrophobicContact CG-CD1 4.02Å; Q829-I919 HydrophobicContact CG-CG1 4.29Å; Q829-G920 WeakPolarHBondContact CG-O 3.28Å; Q829-G920 PolarHBondContact NE2-O 3.01Å; Q829-P921 PolarHBondContact NE2-O 3.33Å; Q829-G922 VanDerWaalsContact CD-CA 3.48Å
830	D	93.1	Very high	94	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.			trans	-53.4	154.6	-176	67.7	82.2	0	0	0	114.5	K729 S826 L828 F832 K849 F898 I919	K729-D830 WeakPolarHBondContact CE-O 3.44Å; K729-D830 PolarHBondContact NZ-O 2.97Å; K729-D830 IonicContact NZ-OD1 3.24Å; K729-D830 PolarHBondContact NZ-OD1 3.21Å; K729-D830 IonicContact NZ-OD2 3.71Å; K729-D830 PolarHBondContact NZ-OD2 3.28Å; S826-D830 VanDerWaalsContact CB-OD2 3.28Å; S826-D830 WeakPolarHBondContact CB-OD2 3.37Å; S826-D830 PolarHBondContact OG-OD2 3.35Å; L828-D830 PolarHBondContact O-N 3.14Å; L828-D830 VanDerWaalsContact O-N 3.16Å; D830-F832 VanDerWaalsContact C-N 3.34Å; D830-F832 HydrophobicContact CB-CD2 4.12Å; D830-F832 PolarHBondContact O-N 3.25Å; D830-F832 WeakPolarHBondContact OD1-CB 3.36Å; D830-F832 PolarHBondContact OD1-N 2.86Å; D830-F832 VanDerWaalsContact OD1-N 3.09Å; D830-K849 WeakPolarHBondContact O-CE 3.47Å; D830-K849 PolarHBondContact O-NZ 3.33Å; D830-F898 HydrophobicContact CB-CD1 4.37Å; D830-F898 HydrophobicContact CB-CE1 4.22Å; D830-F898 WeakPolarHBondContact OD1-CE1 3.49Å; D830-I919 HydrophobicContact CB-CD1 4.08Å; D830-I919 HydrophobicContact CB-CG2 4.36Å
831	D	92.7	Very high	93.9	Very high	16 Å²	16	25.2 Å²	25.2	9%	0.086	12%	0.124	C	C	.	.			trans	-91.9	18.8	-178.2	-73.3	-40.5	0	0	0	113.8	R732 E845 C846 K849	R732-D831 IonicContact CZ-OD2 2.64Å; R732-D831 IonicContact NH1-OD2 3.8Å; R732-D831 PolarHBondContact NH1-OD2 2.82Å; D831-E845 HydrophobicContact CB-CG 4.4Å; D831-E845 CarbonylContact O-C 3.49Å; D831-E845 WeakPolarHBondContact O-CA 3.23Å; D831-C846 PolarHBondContact O-N 3.39Å; D831-K849 IonicContact OD1-NZ 3.65Å; D831-K849 PolarHBondContact OD1-NZ 2.97Å
832	F	95.1	Very high	93.9	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146	-179	-71.3	-96.4	0	0	0	113.5	Y772 D830 L843 L844 E845 F898 A906 L908 V917	Y772-F832 AromaticContact CD2-CE1 3.99Å; Y772-F832 HydrophobicContact CD2-CE1 3.99Å; Y772-F832 HydrophobicContact CE1-CE1 4.45Å; Y772-F832 HydrophobicContact CE2-CD1 4.32Å; Y772-F832 AromaticContact CE2-CE1 3.45Å; Y772-F832 HydrophobicContact CE2-CE1 3.45Å; Y772-F832 VanDerWaalsContact CE2-CE1 3.45Å; Y772-F832 HydrophobicContact CE2-CZ 4.12Å; Y772-F832 AromaticContact CZ-CE1 3.71Å; Y772-F832 AromaticContact CZ-CZ 3.97Å; D830-F832 VanDerWaalsContact C-N 3.34Å; D830-F832 HydrophobicContact CB-CD2 4.12Å; D830-F832 PolarHBondContact O-N 3.25Å; D830-F832 WeakPolarHBondContact OD1-CB 3.36Å; D830-F832 PolarHBondContact OD1-N 2.86Å; D830-F832 VanDerWaalsContact OD1-N 3.09Å; F832-L843 HydrophobicContact CD1-CD1 3.75Å; F832-L843 HydrophobicContact CD1-CD2 4.47Å; F832-L843 HydrophobicContact CD1-CG 4.18Å; F832-L844 CarbonylContact C-O 3.6Å; F832-L844 VanDerWaalsContact CA-O 3.3Å; F832-L844 WeakPolarHBondContact CA-O 3.42Å; F832-E845 HydrophobicContact CD1-CB 4.24Å; F832-E845 HydrophobicContact CE1-CB 4.11Å; F832-E845 HydrophobicContact CZ-CB 4.34Å; F832-F898 HydrophobicContact CB-CE1 3.93Å; F832-F898 HydrophobicContact CB-CZ 3.8Å; F832-F898 AromaticContact CD2-CE1 3.94Å; F832-F898 HydrophobicContact CD2-CE1 3.94Å; F832-F898 HydrophobicContact CD2-CZ 4.47Å; F832-F898 HydrophobicContact CG-CE1 4.07Å; F832-F898 HydrophobicContact CG-CZ 4.16Å; F832-A906 HydrophobicContact CE2-CB 4.11Å; F832-L908 HydrophobicContact CE2-CD2 4.26Å; F832-L908 HydrophobicContact CZ-CD1 4.39Å; F832-L908 HydrophobicContact CZ-CD2 3.84Å; F832-V917 HydrophobicContact CD2-CG1 4.3Å; F832-V917 HydrophobicContact CE2-CG1 3.94Å
833	I	95.9	Very high	93.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.8	172.5	-44.7	172.9	0	0	0	107.5	L823 L844 C846 K849 F852 I853	L823-I833 HydrophobicContact CB-CG2 4.22Å; L823-I833 HydrophobicContact CD1-CG2 4.26Å; L823-I833 HydrophobicContact CD2-CG2 4.16Å; L823-I833 HydrophobicContact CG-CG2 4.46Å; I833-L844 PolarHBondContact N-O 2.97Å; I833-L844 PolarHBondContact O-N 3.46Å; I833-C846 HydrophobicContact CD1-CB 4.38Å; I833-K849 HydrophobicContact CD1-CB 3.77Å; I833-K849 HydrophobicContact CG1-CB 4.11Å; I833-F852 HydrophobicContact CD1-CD1 3.83Å; I833-F852 HydrophobicContact CD1-CE1 4.25Å; I833-I853 HydrophobicContact CD1-CD1 3.91Å; I833-I853 HydrophobicContact CD1-CG1 3.97Å; I833-I853 HydrophobicContact CG1-CD1 4.25Å
834	I	96.7	Very high	93.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.7	160.5	-56.3	174.2	0	0	0	107.7	L823 S824 H836 D841 L843 L876 M878 V896	L823-I834 CarbonylContact C-O 3.44Å; L823-I834 VanDerWaalsContact CA-O 3.31Å; L823-I834 WeakPolarHBondContact CA-O 3.39Å; S824-I834 PolarHBondContact N-O 3.28Å; S824-I834 PolarHBondContact O-N 3.39Å; I834-H836 VanDerWaalsContact CG2-CE1 3.46Å; I834-H836 WeakPolarHBondContact CG2-CE1 3.3Å; I834-D841 HydrophobicContact CG2-CB 3.86Å; I834-L843 HydrophobicContact CD1-CD1 4.39Å; I834-L843 HydrophobicContact CG1-CD1 3.68Å; I834-L876 HydrophobicContact CD1-CB 3.6Å; I834-L876 HydrophobicContact CD1-CD1 3.7Å; I834-L876 HydrophobicContact CD1-CG 4.31Å; I834-L876 HydrophobicContact CG1-CD1 4.16Å; I834-M878 HydrophobicContact CD1-CB 4.26Å; I834-M878 HydrophobicContact CG2-CB 4.2Å; I834-V896 HydrophobicContact CD1-CG2 4.43Å
835	L	96.8	Very high	93.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.9	170.4	-173.9	167.4	0	0	0	108.3	V790 I815 I820 L823 E837 D841 S842	V790-L835 HydrophobicContact CG1-CD1 4.38Å; I815-L835 HydrophobicContact CD1-CD1 4.21Å; I815-L835 HydrophobicContact CD1-CD2 3.53Å; I820-L835 HydrophobicContact CD1-CD1 4.29Å; I820-L835 HydrophobicContact CG1-CD2 4.16Å; I820-L835 HydrophobicContact CG2-CD2 4.08Å; I820-L835 HydrophobicContact CG2-CG 4.14Å; L823-L835 HydrophobicContact CD2-CB 3.91Å; L823-L835 HydrophobicContact CD2-CG 3.87Å; L835-E837 HydrophobicContact CD2-CB 4.39Å; L835-D841 WeakPolarHBondContact O-CA 3.15Å; L835-S842 PolarHBondContact N-O 3.3Å; L835-S842 PolarHBondContact O-N 3.09Å
836	H	96.1	Very high	93.7	Very high	23 Å²	23	22.5 Å²	22.5	11%	0.106	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.8	-178.9	-60.7	-80	0	0	0	112.5	L821 A822 S824 I834 D841 E877	L821-H836 HydrophobicContact CB-CB 4.35Å; L821-H836 PolarHBondContact N-O 3.17Å; A822-H836 HydrophobicContact CB-CB 4.32Å; A822-H836 WeakPolarHBondContact O-CB 3.22Å; A822-H836 PolarHBondContact O-N 3.06Å; S824-H836 VanDerWaalsContact CB-NE2 3.33Å; S824-H836 WeakPolarHBondContact CB-NE2 3.46Å; S824-H836 PolarHBondContact OG-NE2 2.86Å; I834-H836 VanDerWaalsContact CG2-CE1 3.46Å; I834-H836 WeakPolarHBondContact CG2-CE1 3.3Å; H836-D841 VanDerWaalsContact CA-OD1 3.28Å; H836-D841 WeakPolarHBondContact CA-OD1 3.14Å; H836-D841 IonicContact CE1-OD2 2.67Å; H836-D841 PolarHBondContact CE1-OD2 3.15Å; H836-D841 IonicContact CG-OD1 2.68Å; H836-D841 IonicContact CG-OD2 3.51Å; H836-D841 IonicContact ND1-OD1 3.48Å; H836-D841 PolarHBondContact ND1-OD1 3.24Å; H836-D841 IonicContact ND1-OD2 2.75Å; H836-D841 PolarHBondContact ND1-OD2 3.19Å; H836-E877 PolarHBondContact CE1-O 2.9Å
837	E	92.3	Very high	93.5	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.075	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.2	-173.1	-163.8	-75.6	117.1	0	0	109	R813 I815 L835 E839 D841	R813-E837 IonicContact CZ-OE2 2.68Å; R813-E837 IonicContact NH2-OE2 3.79Å; R813-E837 PolarHBondContact NH2-OE2 2.77Å; I815-E837 HydrophobicContact CG2-CG 3.72Å; L835-E837 HydrophobicContact CD2-CB 4.39Å; E837-E839 PolarHBondContact O-N 3.14Å; E837-E839 PolarHBondContact OE1-N 3.09Å; E837-E839 VanDerWaalsContact OE2-CB 3.28Å; E837-E839 WeakPolarHBondContact OE2-CB 3.41Å; E837-E839 PolarHBondContact OE2-N 3.42Å; E837-D841 PolarHBondContact N-OD1 3.42Å
838	Q	86.9	Confident	93.4	Very high	150 Å²	150	26.2 Å²	26.2	70%	0.701	12%	0.124	S	C	*	.	S	Bend	trans	-63.3	-35.5	-173.9	-168.1	177	6.3	0	0	113.5	K879	Q838-K879 PolarHBondContact O-NZ 3.12Å
839	E	86.8	Confident	93.3	Very high	118 Å²	118	25.8 Å²	25.8	55%	0.551	12%	0.122	S	C	*	.	S	Bend	trans	-73.3	-63.4	175.6	-58.2	-176.1	-176.7	0	0	111.8	E837 K879	E837-E839 PolarHBondContact O-N 3.14Å; E837-E839 PolarHBondContact OE1-N 3.09Å; E837-E839 VanDerWaalsContact OE2-CB 3.28Å; E837-E839 WeakPolarHBondContact OE2-CB 3.41Å; E837-E839 PolarHBondContact OE2-N 3.42Å; E839-K879 WeakPolarHBondContact O-CE 3.37Å; E839-K879 PolarHBondContact O-NZ 3.31Å
840	Y	91.1	Very high	93.2	Very high	34 Å²	34	26 Å²	26	13%	0.133	12%	0.123	C	C	.	.			trans	-163.9	159.6	-173.9	66.6	-82.2	0	0	0	112.5	R813 K881	R813-Y840 WeakPolarHBondContact CD-OH 3.29Å; R813-Y840 VanDerWaalsContact CZ-CZ 3.48Å; R813-Y840 VanDerWaalsContact CZ-O 3.24Å; R813-Y840 PolarHBondContact NH1-O 3.13Å; R813-Y840 PolarHBondContact NH2-O 3.35Å; Y840-K881 HydrophobicContact CD1-CB 3.8Å; Y840-K881 HydrophobicContact CD1-CD 3.95Å; Y840-K881 HydrophobicContact CD1-CG 3.69Å; Y840-K881 HydrophobicContact CD2-CB 3.92Å; Y840-K881 HydrophobicContact CE1-CB 4.3Å; Y840-K881 HydrophobicContact CE1-CD 3.68Å; Y840-K881 HydrophobicContact CE1-CG 3.98Å; Y840-K881 HydrophobicContact CE2-CB 4.37Å; Y840-K881 HydrophobicContact CG-CB 3.62Å; Y840-K881 HydrophobicContact CG-CG 4.07Å
841	D	94.5	Very high	93.1	Very high	15 Å²	15	26 Å²	26	8%	0.08	12%	0.123	C	C	.	.			trans	-90.3	162.8	-172.4	-63.4	-18.7	0	0	0	113.4	I834 L835 H836 E837 M878 K879	I834-D841 HydrophobicContact CG2-CB 3.86Å; L835-D841 WeakPolarHBondContact O-CA 3.15Å; H836-D841 VanDerWaalsContact CA-OD1 3.28Å; H836-D841 WeakPolarHBondContact CA-OD1 3.14Å; H836-D841 IonicContact CE1-OD2 2.67Å; H836-D841 PolarHBondContact CE1-OD2 3.15Å; H836-D841 IonicContact CG-OD1 2.68Å; H836-D841 IonicContact CG-OD2 3.51Å; H836-D841 IonicContact ND1-OD1 3.48Å; H836-D841 PolarHBondContact ND1-OD1 3.24Å; H836-D841 IonicContact ND1-OD2 2.75Å; H836-D841 PolarHBondContact ND1-OD2 3.19Å; E837-D841 PolarHBondContact N-OD1 3.42Å; D841-M878 HydrophobicContact CB-CB 4Å; D841-M878 VanDerWaalsContact OD2-CA 3.31Å; D841-M878 WeakPolarHBondContact OD2-CA 3.43Å; D841-K879 PolarHBondContact N-O 3.03Å; D841-K879 PolarHBondContact OD2-N 3.05Å
842	S	94.9	Very high	93.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	102.6	174.7	-56.2	0	0	0	0	111.5	R813 L835 L844	R813-S842 PolarHBondContact NH1-OG 3.08Å; L835-S842 PolarHBondContact N-O 3.3Å; L835-S842 PolarHBondContact O-N 3.09Å; S842-L844 PolarHBondContact O-N 3.35Å
843	L	95.8	Very high	93.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.3	164.5	-179.5	68.1	0	0	0	109.5	Y772 F776 F832 I834 M878 V896 L915	Y772-L843 HydrophobicContact CD2-CD2 4.14Å; Y772-L843 HydrophobicContact CD2-CG 4.11Å; Y772-L843 HydrophobicContact CG-CD2 3.89Å; Y772-L843 HydrophobicContact CG-CG 4.3Å; Y772-L843 PolarHBondContact N-O 3.21Å; F776-L843 HydrophobicContact CD1-CD2 4.47Å; F832-L843 HydrophobicContact CD1-CD1 3.75Å; F832-L843 HydrophobicContact CD1-CD2 4.47Å; F832-L843 HydrophobicContact CD1-CG 4.18Å; I834-L843 HydrophobicContact CD1-CD1 4.39Å; I834-L843 HydrophobicContact CG1-CD1 3.68Å; L843-M878 HydrophobicContact CB-CE 3.79Å; L843-M878 HydrophobicContact CB-SD 4.1Å; L843-M878 HydrophobicContact CD1-CE 4.47Å; L843-M878 HydrophobicContact CD2-CE 3.7Å; L843-M878 HydrophobicContact CG-CE 4.18Å; L843-V896 HydrophobicContact CD1-CG2 4.41Å; L843-V896 HydrophobicContact CD2-CG2 4.14Å; L843-L915 HydrophobicContact CD2-CD2 4.04Å
844	L	96.7	Very high	92.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.5	-179.8	-60.5	175.6	0	0	0	110.4	V769 T770 K771 L783 L792 F832 I833 S842	V769-L844 HydrophobicContact CG2-CD2 4.29Å; T770-L844 CarbonylContact O-C 3.55Å; T770-L844 VanDerWaalsContact O-CA 3.32Å; T770-L844 WeakPolarHBondContact O-CA 3.4Å; K771-L844 HydrophobicContact CB-CD2 3.75Å; K771-L844 HydrophobicContact CG-CD2 3.61Å; L783-L844 HydrophobicContact CD2-CD1 4.44Å; L792-L844 HydrophobicContact CD1-CD2 4.38Å; L792-L844 HydrophobicContact CD2-CD2 4.08Å; F832-L844 CarbonylContact C-O 3.6Å; F832-L844 VanDerWaalsContact CA-O 3.3Å; F832-L844 WeakPolarHBondContact CA-O 3.42Å; I833-L844 PolarHBondContact N-O 2.97Å; I833-L844 PolarHBondContact O-N 3.46Å; S842-L844 PolarHBondContact O-N 3.35Å
845	E	95.1	Very high	92.7	Very high	52 Å²	52	27.5 Å²	27.5	24%	0.243	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.2	166.7	173.4	-159.6	-141	0	0	107.8	V769 T770 Y772 D831 F832	V769-E845 WeakPolarHBondContact CA-O 3.29Å; V769-E845 VanDerWaalsContact CB-O 3.31Å; V769-E845 WeakPolarHBondContact CB-O 3.2Å; T770-E845 VanDerWaalsContact CB-OE2 3.23Å; T770-E845 WeakPolarHBondContact CB-OE2 3.14Å; T770-E845 PolarHBondContact N-O 2.65Å; T770-E845 VanDerWaalsContact N-O 3.08Å; T770-E845 PolarHBondContact O-N 2.86Å; T770-E845 PolarHBondContact OG1-OE2 3.05Å; Y772-E845 HydrophobicContact CE2-CB 3.86Å; D831-E845 HydrophobicContact CB-CG 4.4Å; D831-E845 CarbonylContact O-C 3.49Å; D831-E845 WeakPolarHBondContact O-CA 3.23Å; F832-E845 HydrophobicContact CD1-CB 4.24Å; F832-E845 HydrophobicContact CE1-CB 4.11Å; F832-E845 HydrophobicContact CZ-CB 4.34Å
846	C	93.8	Very high	92.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	13%	0.132	C	C	.	.			trans	-135.2	109	-173.6	180	0	0	0	0	110.7	V769 D831 I833 F848 K849	V769-C846 HydrophobicContact CG1-CB 3.69Å; D831-C846 PolarHBondContact O-N 3.39Å; I833-C846 HydrophobicContact CD1-CB 4.38Å; C846-F848 PolarHBondContact O-N 3.07Å; C846-K849 VanDerWaalsContact O-CB 3.27Å; C846-K849 WeakPolarHBondContact O-CB 3.44Å; C846-K849 WeakPolarHBondContact O-CG 3.4Å; C846-K849 PolarHBondContact O-N 2.89Å
847	I	90.9	Very high	92.6	Very high	83 Å²	83	26.8 Å²	26.8	43%	0.426	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22	177	-60.1	170.6	0	0	0	111.3	R738	R738-I847 PolarHBondContact NH1-O 3.45Å
848	F	91.9	Very high	92.6	Very high	19 Å²	19	31.4 Å²	31.4	8%	0.083	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	13.2	-179.9	-56.2	-98.8	0	0	0	113	R738 Y744 F765 D767 C846 T850 E851 F852	R738-F848 VanDerWaalsContact NH2-CD1 3.33Å; Y744-F848 HydrophobicContact CD1-CD1 4.17Å; Y744-F848 AromaticContact CD1-CE1 3.6Å; Y744-F848 HydrophobicContact CD1-CE1 3.6Å; Y744-F848 AromaticContact CD1-CZ 3.99Å; Y744-F848 HydrophobicContact CD1-CZ 3.99Å; Y744-F848 AromaticContact CD2-CD1 3.87Å; Y744-F848 HydrophobicContact CD2-CD1 3.87Å; Y744-F848 HydrophobicContact CD2-CE1 4.15Å; Y744-F848 HydrophobicContact CD2-CG 4.3Å; Y744-F848 AromaticContact CE1-CD1 3.74Å; Y744-F848 HydrophobicContact CE1-CD1 3.74Å; Y744-F848 AromaticContact CE1-CE1 3.26Å; Y744-F848 HydrophobicContact CE1-CE1 3.26Å; Y744-F848 HydrophobicContact CE1-CZ 4.08Å; Y744-F848 AromaticContact CE2-CD1 3.41Å; Y744-F848 HydrophobicContact CE2-CD1 3.41Å; Y744-F848 VanDerWaalsContact CE2-CD1 3.41Å; Y744-F848 AromaticContact CE2-CE1 3.86Å; Y744-F848 HydrophobicContact CE2-CE1 3.86Å; Y744-F848 HydrophobicContact CE2-CG 4.12Å; Y744-F848 HydrophobicContact CG-CD1 4.23Å; Y744-F848 HydrophobicContact CG-CE1 4.03Å; Y744-F848 HydrophobicContact CG-CZ 4.32Å; Y744-F848 AromaticContact CZ-CD1 3.32Å; Y744-F848 AromaticContact CZ-CE1 3.4Å; F765-F848 HydrophobicContact CE2-CB 3.61Å; F765-F848 HydrophobicContact CE2-CG 4.42Å; F765-F848 HydrophobicContact CZ-CB 3.74Å; D767-F848 HydrophobicContact CB-CD2 4.36Å; D767-F848 VanDerWaalsContact CG-CD2 3.48Å; D767-F848 WeakPolarHBondContact OD2-CD2 3.4Å; C846-F848 PolarHBondContact O-N 3.07Å; F848-T850 VanDerWaalsContact C-N 3.34Å; F848-T850 PolarHBondContact O-N 3.34Å; F848-E851 WeakPolarHBondContact O-CB 3.25Å; F848-E851 PolarHBondContact O-N 3.48Å; F848-F852 PolarHBondContact O-N 2.83Å
849	K	91.4	Very high	92.9	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-39	-50.3	-174.5	55.4	155.9	-169.6	-81.9	0	115.8	L825 Q829 D830 D831 I833 C846 E851 F852 I853	L825-K849 HydrophobicContact CD2-CD 4.42Å; Q829-K849 PolarHBondContact O-NZ 3.46Å; Q829-K849 VanDerWaalsContact O-NZ 3.16Å; D830-K849 WeakPolarHBondContact O-CE 3.47Å; D830-K849 PolarHBondContact O-NZ 3.33Å; D831-K849 IonicContact OD1-NZ 3.65Å; D831-K849 PolarHBondContact OD1-NZ 2.97Å; I833-K849 HydrophobicContact CD1-CB 3.77Å; I833-K849 HydrophobicContact CG1-CB 4.11Å; C846-K849 VanDerWaalsContact O-CB 3.27Å; C846-K849 WeakPolarHBondContact O-CB 3.44Å; C846-K849 WeakPolarHBondContact O-CG 3.4Å; C846-K849 PolarHBondContact O-N 2.89Å; K849-E851 PolarHBondContact O-N 2.84Å; K849-F852 PolarHBondContact O-N 3.42Å; K849-I853 HydrophobicContact CB-CD1 4.16Å; K849-I853 VanDerWaalsContact O-CB 3.29Å; K849-I853 WeakPolarHBondContact O-CB 3.4Å; K849-I853 WeakPolarHBondContact O-CD1 3.31Å; K849-I853 WeakPolarHBondContact O-CG1 3.27Å; K849-I853 PolarHBondContact O-N 3.41Å
850	T	89.7	Confident	93.4	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-56.3	-38.1	-176.5	-45.6	0	0	0	0	112.8	A721 L725 F740 F848 S854	A721-T850 HydrophobicContact CB-CG2 4.27Å; A721-T850 WeakPolarHBondContact O-CG2 3.3Å; L725-T850 HydrophobicContact CD1-CG2 4.06Å; F740-T850 HydrophobicContact CZ-CG2 4.47Å; F848-T850 VanDerWaalsContact C-N 3.34Å; F848-T850 PolarHBondContact O-N 3.34Å; T850-S854 WeakPolarHBondContact O-CB 3.33Å; T850-S854 PolarHBondContact O-N 3.4Å
851	E	90.5	Very high	93.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-80.1	-48.2	-176.9	-179.8	173.6	171.9	0	0	110.8	R738 F740 I741 G742 Y744 F765 F848 K849 I853 S854 L855	R738-E851 IonicContact CZ-OE2 2.65Å; R738-E851 IonicContact NE-OE2 3.24Å; R738-E851 IonicContact NH2-OE2 2.79Å; R738-E851 PolarHBondContact NH2-OE2 3.32Å; F740-E851 VanDerWaalsContact CA-CD 3.43Å; F740-E851 WeakPolarHBondContact CA-OE1 3.25Å; F740-E851 VanDerWaalsContact CB-CD 3.41Å; F740-E851 HydrophobicContact CB-CG 3.85Å; F740-E851 VanDerWaalsContact CB-OE1 3.29Å; F740-E851 WeakPolarHBondContact CB-OE1 3.39Å; F740-E851 HydrophobicContact CD1-CB 3.74Å; F740-E851 VanDerWaalsContact CD1-CD 3.49Å; F740-E851 HydrophobicContact CD1-CG 3.69Å; F740-E851 VanDerWaalsContact CD1-OE2 3.22Å; F740-E851 WeakPolarHBondContact CD1-OE2 3.38Å; F740-E851 HydrophobicContact CD2-CB 4.4Å; F740-E851 HydrophobicContact CD2-CG 3.99Å; F740-E851 HydrophobicContact CE1-CB 3.78Å; F740-E851 HydrophobicContact CE1-CG 4.22Å; F740-E851 HydrophobicContact CE2-CB 4.42Å; F740-E851 HydrophobicContact CE2-CG 4.47Å; F740-E851 HydrophobicContact CG-CB 4.08Å; F740-E851 HydrophobicContact CG-CG 3.57Å; F740-E851 HydrophobicContact CZ-CB 4.13Å; I741-E851 PolarHBondContact N-OE1 3.23Å; G742-E851 PolarHBondContact N-OE1 2.89Å; Y744-E851 WeakPolarHBondContact CE2-OE1 3.49Å; Y744-E851 PolarHBondContact OH-OE1 3.28Å; Y744-E851 PolarHBondContact OH-OE2 3.05Å; F765-E851 HydrophobicContact CD2-CG 4.22Å; F848-E851 WeakPolarHBondContact O-CB 3.25Å; F848-E851 PolarHBondContact O-N 3.48Å; K849-E851 PolarHBondContact O-N 2.84Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.19Å; E851-S854 PolarHBondContact O-N 2.79Å; E851-L855 HydrophobicContact CG-CD1 4.1Å; E851-L855 WeakPolarHBondContact O-CB 3.4Å; E851-L855 WeakPolarHBondContact O-CG 3.27Å; E851-L855 PolarHBondContact O-N 2.84Å
852	F	93.6	Very high	93.5	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-46.1	172.7	172.4	-108.2	0	0	0	112.1	F765 L783 L785 V790 I833 F848 K849 L856	F765-F852 HydrophobicContact CD1-CB 4.11Å; F765-F852 AromaticContact CD1-CD2 3.59Å; F765-F852 HydrophobicContact CD1-CD2 3.59Å; F765-F852 HydrophobicContact CD1-CG 4.26Å; F765-F852 HydrophobicContact CD2-CB 4.47Å; F765-F852 HydrophobicContact CE1-CB 3.91Å; F765-F852 AromaticContact CE1-CD2 3.83Å; F765-F852 HydrophobicContact CE1-CD2 3.83Å; F765-F852 HydrophobicContact CE1-CG 4.16Å; F765-F852 HydrophobicContact CE2-CB 4.29Å; F765-F852 HydrophobicContact CG-CB 4.38Å; F765-F852 HydrophobicContact CG-CD2 4.31Å; F765-F852 HydrophobicContact CZ-CB 3.99Å; L783-F852 HydrophobicContact CD1-CE2 4.02Å; L783-F852 HydrophobicContact CD1-CZ 4.13Å; L783-F852 HydrophobicContact CD2-CD1 4.45Å; L783-F852 HydrophobicContact CD2-CD2 4.04Å; L783-F852 HydrophobicContact CD2-CE1 4.32Å; L783-F852 HydrophobicContact CD2-CE2 3.89Å; L783-F852 HydrophobicContact CD2-CG 4.31Å; L783-F852 HydrophobicContact CD2-CZ 4.04Å; L783-F852 HydrophobicContact CG-CE2 4.14Å; L785-F852 HydrophobicContact CB-CD2 4.44Å; L785-F852 HydrophobicContact CB-CE2 4.25Å; L785-F852 HydrophobicContact CD2-CD2 4.34Å; L785-F852 HydrophobicContact CD2-CE2 4.45Å; V790-F852 HydrophobicContact CG1-CZ 4.35Å; V790-F852 HydrophobicContact CG2-CZ 4.44Å; I833-F852 HydrophobicContact CD1-CD1 3.83Å; I833-F852 HydrophobicContact CD1-CE1 4.25Å; F848-F852 PolarHBondContact O-N 2.83Å; K849-F852 PolarHBondContact O-N 3.42Å; F852-L856 HydrophobicContact CE1-CD2 4.04Å; F852-L856 HydrophobicContact CZ-CD2 3.86Å; F852-L856 WeakPolarHBondContact O-CB 3.49Å; F852-L856 PolarHBondContact O-N 3.44Å
853	I	93.6	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-42.5	179.5	-67.5	165.1	0	0	0	111.1	L724 L823 L825 I833 K849 E851 L856 A857 L870	L724-I853 HydrophobicContact CD1-CG2 4.49Å; L823-I853 HydrophobicContact CD1-CB 4.39Å; L823-I853 HydrophobicContact CD1-CG1 3.8Å; L823-I853 HydrophobicContact CD1-CG2 4.11Å; L825-I853 HydrophobicContact CD1-CD1 4.3Å; L825-I853 HydrophobicContact CD2-CD1 3.72Å; I833-I853 HydrophobicContact CD1-CD1 3.91Å; I833-I853 HydrophobicContact CD1-CG1 3.97Å; I833-I853 HydrophobicContact CG1-CD1 4.25Å; K849-I853 HydrophobicContact CB-CD1 4.16Å; K849-I853 VanDerWaalsContact O-CB 3.29Å; K849-I853 WeakPolarHBondContact O-CB 3.4Å; K849-I853 WeakPolarHBondContact O-CD1 3.31Å; K849-I853 WeakPolarHBondContact O-CG1 3.27Å; K849-I853 PolarHBondContact O-N 3.41Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.19Å; I853-L856 PolarHBondContact O-N 3.1Å; I853-A857 WeakPolarHBondContact O-CB 3.33Å; I853-A857 PolarHBondContact O-N 2.53Å; I853-L870 HydrophobicContact CG2-CD1 4.15Å; I853-L870 HydrophobicContact CG2-CD2 4.09Å
854	S	91.9	Very high	93.2	Very high	15 Å²	15	33.5 Å²	33.5	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-45.2	178.3	177.8	0	0	0	0	112.3	A721 T850 E851 R858	A721-S854 WeakPolarHBondContact CB-OG 3.33Å; T850-S854 WeakPolarHBondContact O-CB 3.33Å; T850-S854 PolarHBondContact O-N 3.4Å; E851-S854 PolarHBondContact O-N 2.79Å; S854-R858 VanDerWaalsContact O-CB 3.26Å; S854-R858 WeakPolarHBondContact O-CB 3.46Å; S854-R858 PolarHBondContact O-N 2.79Å
855	L	93.1	Very high	93	Very high	35 Å²	35	41 Å²	41	18%	0.183	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-41.3	177.6	-67.7	166	0	0	0	110.8	D764 F765 L785 E851 R858 R859	D764-L855 WeakPolarHBondContact O-CD1 3.27Å; F765-L855 HydrophobicContact CB-CD1 3.86Å; L785-L855 HydrophobicContact CD2-CB 3.65Å; E851-L855 HydrophobicContact CG-CD1 4.1Å; E851-L855 WeakPolarHBondContact O-CB 3.4Å; E851-L855 WeakPolarHBondContact O-CG 3.27Å; E851-L855 PolarHBondContact O-N 2.84Å; L855-R858 PolarHBondContact O-N 2.94Å; L855-R859 WeakPolarHBondContact O-CG 3.29Å; L855-R859 PolarHBondContact O-N 3.09Å
856	L	95.1	Very high	92.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-46.1	178	-177.3	62	0	0	0	112.3	L785 V790 V817 I820 L823 F852 I853 R858 R859 F860 L868	L785-L856 HydrophobicContact CD1-CD1 3.75Å; L785-L856 HydrophobicContact CD2-CB 4.16Å; V790-L856 HydrophobicContact CG2-CD1 3.78Å; V817-L856 HydrophobicContact CG1-CD1 4.3Å; V817-L856 HydrophobicContact CG2-CD1 4.08Å; I820-L856 HydrophobicContact CD1-CD1 3.77Å; I820-L856 HydrophobicContact CD1-CD2 4.12Å; I820-L856 HydrophobicContact CD1-CG 4.42Å; L823-L856 HydrophobicContact CD1-CD2 4.25Å; L823-L856 HydrophobicContact CD2-CD2 4.2Å; F852-L856 HydrophobicContact CE1-CD2 4.04Å; F852-L856 HydrophobicContact CZ-CD2 3.86Å; F852-L856 WeakPolarHBondContact O-CB 3.49Å; F852-L856 PolarHBondContact O-N 3.44Å; I853-L856 PolarHBondContact O-N 3.1Å; L856-R858 VanDerWaalsContact C-N 3.3Å; L856-R858 PolarHBondContact O-N 2.95Å; L856-R859 PolarHBondContact O-N 2.88Å; L856-F860 VanDerWaalsContact O-CB 3.29Å; L856-F860 WeakPolarHBondContact O-CB 3.43Å; L856-F860 PolarHBondContact O-N 2.82Å; L856-L868 HydrophobicContact CD2-CD2 4.29Å; L856-L868 HydrophobicContact CG-CD2 4.05Å
857	A	94.1	Very high	92.9	Very high	10 Å²	10	55 Å²	55	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-42.2	176.8	0	0	0	0	0	111.3	L724 I853 F860 E861 L868	L724-A857 HydrophobicContact CD1-CB 4.22Å; I853-A857 WeakPolarHBondContact O-CB 3.33Å; I853-A857 PolarHBondContact O-N 2.53Å; A857-F860 PolarHBondContact O-N 2.93Å; A857-E861 WeakPolarHBondContact O-CB 3.26Å; A857-E861 PolarHBondContact O-N 3.5Å; A857-L868 HydrophobicContact CB-CB 4.07Å; A857-L868 HydrophobicContact CB-CD2 4.04Å
858	R	92.8	Very high	93.1	Very high	113 Å²	113	51.7 Å²	51.7	43%	0.426	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-49.5	173.4	179.3	-176	175.4	107.6	24	112.1	S854 L855 L856 F860 E861 E862	S854-R858 VanDerWaalsContact O-CB 3.26Å; S854-R858 WeakPolarHBondContact O-CB 3.46Å; S854-R858 PolarHBondContact O-N 2.79Å; L855-R858 PolarHBondContact O-N 2.94Å; L856-R858 VanDerWaalsContact C-N 3.3Å; L856-R858 PolarHBondContact O-N 2.95Å; R858-F860 VanDerWaalsContact C-N 3.28Å; R858-F860 PolarHBondContact O-N 2.97Å; R858-E861 PolarHBondContact O-N 2.79Å; R858-E862 HydrophobicContact CG-CG 4.41Å; R858-E862 IonicContact CZ-OE1 3.21Å; R858-E862 IonicContact NE-OE1 3.07Å; R858-E862 PolarHBondContact NE-OE1 3.31Å; R858-E862 IonicContact NH2-OE1 3.31Å; R858-E862 PolarHBondContact NH2-OE1 2.75Å; R858-E862 WeakPolarHBondContact O-CB 3.46Å; R858-E862 VanDerWaalsContact O-CG 3.32Å; R858-E862 WeakPolarHBondContact O-CG 3.39Å; R858-E862 PolarHBondContact O-N 2.69Å
859	R	94.6	Very high	93.3	Very high	40 Å²	40	53.5 Å²	53.5	15%	0.151	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-32.8	178.8	-67.7	-44.1	-169.5	-175.3	2.4	112.3	D764 V817 L855 L856 E862 K863	D764-R859 IonicContact OD1-CZ 2.81Å; D764-R859 IonicContact OD1-NE 2.8Å; D764-R859 IonicContact OD1-NH2 3.96Å; D764-R859 PolarHBondContact OD1-NH2 3.17Å; D764-R859 IonicContact OD2-CZ 3.55Å; D764-R859 VanDerWaalsContact OD2-CZ 3.22Å; D764-R859 IonicContact OD2-NE 2.97Å; D764-R859 PolarHBondContact OD2-NE 2.6Å; D764-R859 IonicContact OD2-NH2 3.59Å; D764-R859 PolarHBondContact OD2-NH2 2.73Å; V817-R859 HydrophobicContact CG1-CB 4.25Å; L855-R859 WeakPolarHBondContact O-CG 3.29Å; L855-R859 PolarHBondContact O-N 3.09Å; L856-R859 PolarHBondContact O-N 2.88Å; R859-E862 WeakPolarHBondContact CD-OE2 3.45Å; R859-E862 IonicContact CZ-OE2 3.62Å; R859-E862 IonicContact NE-OE2 3.95Å; R859-E862 IonicContact NH1-OE1 2.6Å; R859-E862 IonicContact NH1-OE2 2.67Å; R859-E862 PolarHBondContact NH1-OE2 3.45Å; R859-K863 WeakPolarHBondContact O-CB 3.49Å; R859-K863 VanDerWaalsContact O-CG 3.28Å; R859-K863 WeakPolarHBondContact O-CG 3.38Å; R859-K863 PolarHBondContact O-N 3.23Å
860	F	95.3	Very high	93.5	Very high	17 Å²	17	54.6 Å²	54.6	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-45	173.5	-175.6	-89	0	0	0	111.8	V817 I820 L856 A857 R858 K863 T864 R866 L868	V817-F860 HydrophobicContact CG1-CB 3.95Å; V817-F860 HydrophobicContact CG1-CD2 4.28Å; V817-F860 VanDerWaalsContact O-CD2 3.31Å; V817-F860 WeakPolarHBondContact O-CD2 3.4Å; I820-F860 WeakPolarHBondContact O-CE2 3.12Å; L856-F860 VanDerWaalsContact O-CB 3.29Å; L856-F860 WeakPolarHBondContact O-CB 3.43Å; L856-F860 PolarHBondContact O-N 2.82Å; A857-F860 PolarHBondContact O-N 2.93Å; R858-F860 VanDerWaalsContact C-N 3.28Å; R858-F860 PolarHBondContact O-N 2.97Å; F860-K863 PolarHBondContact O-N 3.09Å; F860-T864 WeakPolarHBondContact CD1-OG1 3.34Å; F860-T864 HydrophobicContact CD2-CG2 4.14Å; F860-T864 HydrophobicContact CE1-CG2 4.29Å; F860-T864 VanDerWaalsContact CE1-OG1 3.31Å; F860-T864 WeakPolarHBondContact CE1-OG1 3.19Å; F860-T864 HydrophobicContact CE2-CG2 3.89Å; F860-T864 HydrophobicContact CG-CG2 4.44Å; F860-T864 HydrophobicContact CZ-CG2 3.98Å; F860-T864 WeakPolarHBondContact O-CB 3.33Å; F860-T864 WeakPolarHBondContact O-CG2 3.48Å; F860-T864 PolarHBondContact O-N 3.09Å; F860-T864 PolarHBondContact O-OG1 3.12Å; F860-R866 WeakPolarHBondContact CD1-O 3.28Å; F860-R866 HydrophobicContact CE1-CB 4.32Å; F860-R866 WeakPolarHBondContact CE1-O 3.35Å; F860-L868 HydrophobicContact CB-CB 4.1Å; F860-L868 HydrophobicContact CB-CD1 4.46Å; F860-L868 HydrophobicContact CD1-CB 3.68Å; F860-L868 HydrophobicContact CD1-CD1 4.17Å; F860-L868 HydrophobicContact CD2-CD1 3.9Å; F860-L868 HydrophobicContact CE1-CB 4.31Å; F860-L868 HydrophobicContact CE1-CD1 4.4Å; F860-L868 HydrophobicContact CE2-CD1 4.16Å; F860-L868 HydrophobicContact CG-CB 3.94Å; F860-L868 HydrophobicContact CG-CD1 3.91Å; F860-L868 HydrophobicContact CG-CG 4.42Å; F860-L868 HydrophobicContact CZ-CD1 4.4Å
861	E	94.4	Very high	93.7	Very high	80 Å²	80	60 Å²	60	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-45.5	177.2	-170.2	165.6	-154.1	0	0	111.7	A857 R858 K863 Q865 R866 K867	A857-E861 WeakPolarHBondContact O-CB 3.26Å; A857-E861 PolarHBondContact O-N 3.5Å; R858-E861 PolarHBondContact O-N 2.79Å; E861-K863 PolarHBondContact O-N 3Å; E861-Q865 VanDerWaalsContact O-CA 3.3Å; E861-Q865 WeakPolarHBondContact O-CA 3.49Å; E861-Q865 PolarHBondContact O-N 3.14Å; E861-R866 VanDerWaalsContact CA-O 3.28Å; E861-R866 WeakPolarHBondContact CA-O 3.24Å; E861-K867 HydrophobicContact CG-CG 4.47Å; E861-K867 WeakPolarHBondContact OE1-CE 3.45Å; E861-K867 WeakPolarHBondContact OE1-CG 3.3Å
862	E	93.5	Very high	93.9	Very high	79 Å²	79	62.1 Å²	62.1	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-31.9	172.8	-72.5	172.1	173.5	0	0	112.7	R858 R859 Q865	R858-E862 HydrophobicContact CG-CG 4.41Å; R858-E862 IonicContact CZ-OE1 3.21Å; R858-E862 IonicContact NE-OE1 3.07Å; R858-E862 PolarHBondContact NE-OE1 3.31Å; R858-E862 IonicContact NH2-OE1 3.31Å; R858-E862 PolarHBondContact NH2-OE1 2.75Å; R858-E862 WeakPolarHBondContact O-CB 3.46Å; R858-E862 VanDerWaalsContact O-CG 3.32Å; R858-E862 WeakPolarHBondContact O-CG 3.39Å; R858-E862 PolarHBondContact O-N 2.69Å; R859-E862 WeakPolarHBondContact CD-OE2 3.45Å; R859-E862 IonicContact CZ-OE2 3.62Å; R859-E862 IonicContact NE-OE2 3.95Å; R859-E862 IonicContact NH1-OE1 2.6Å; R859-E862 IonicContact NH1-OE2 2.67Å; R859-E862 PolarHBondContact NH1-OE2 3.45Å; E862-Q865 PolarHBondContact O-NE2 3.37Å
863	K	92.9	Very high	94	Very high	111 Å²	111	66.4 Å²	66.4	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-86.9	-39.4	-179	-84.4	-78.2	170	-176.1	0	115.1	P787 R859 F860 E861	P787-K863 WeakPolarHBondContact O-CE 3.5Å; R859-K863 WeakPolarHBondContact O-CB 3.49Å; R859-K863 VanDerWaalsContact O-CG 3.28Å; R859-K863 WeakPolarHBondContact O-CG 3.38Å; R859-K863 PolarHBondContact O-N 3.23Å; F860-K863 PolarHBondContact O-N 3.09Å; E861-K863 PolarHBondContact O-N 3Å
864	T	92.8	Very high	94	Very high	36 Å²	36	68.5 Å²	68.5	22%	0.221	32%	0.316	C	S	.	.	H	α-helix	trans	-109.9	-8.8	-169	67	0	0	0	0	113.5	E818 F860 R866	E818-T864 HydrophobicContact CB-CG2 4.11Å; F860-T864 WeakPolarHBondContact CD1-OG1 3.34Å; F860-T864 HydrophobicContact CD2-CG2 4.14Å; F860-T864 HydrophobicContact CE1-CG2 4.29Å; F860-T864 VanDerWaalsContact CE1-OG1 3.31Å; F860-T864 WeakPolarHBondContact CE1-OG1 3.19Å; F860-T864 HydrophobicContact CE2-CG2 3.89Å; F860-T864 HydrophobicContact CG-CG2 4.44Å; F860-T864 HydrophobicContact CZ-CG2 3.98Å; F860-T864 WeakPolarHBondContact O-CB 3.33Å; F860-T864 WeakPolarHBondContact O-CG2 3.48Å; F860-T864 PolarHBondContact O-N 3.09Å; F860-T864 PolarHBondContact O-OG1 3.12Å; T864-R866 PolarHBondContact O-N 3.36Å; T864-R866 PolarHBondContact OG1-N 3.25Å; T864-R866 PolarHBondContact OG1-O 2.99Å
865	Q	92.7	Very high	94.2	Very high	160 Å²	160	70.4 Å²	70.4	75%	0.748	33%	0.327	S	S	*	.	S	Bend	trans	55.6	26.5	-169.6	-54.4	-60.7	-56.2	0	0	113	E861 E862	E861-Q865 VanDerWaalsContact O-CA 3.3Å; E861-Q865 WeakPolarHBondContact O-CA 3.49Å; E861-Q865 PolarHBondContact O-N 3.14Å; E862-Q865 PolarHBondContact O-NE2 3.37Å
866	R	93.2	Very high	94.2	Very high	187 Å²	187	69.2 Å²	69.2	71%	0.706	32%	0.321	S	S	*	.	S	Bend	trans	-134.8	147.8	179.8	-63.4	173	-175.4	-174.7	0.2	110	F860 E861 T864	F860-R866 WeakPolarHBondContact CD1-O 3.28Å; F860-R866 HydrophobicContact CE1-CB 4.32Å; F860-R866 WeakPolarHBondContact CE1-O 3.35Å; E861-R866 VanDerWaalsContact CA-O 3.28Å; E861-R866 WeakPolarHBondContact CA-O 3.24Å; T864-R866 PolarHBondContact O-N 3.36Å; T864-R866 PolarHBondContact OG1-N 3.25Å; T864-R866 PolarHBondContact OG1-O 2.99Å
867	K	92.8	Very high	94.1	Very high	159 Å²	159	75.1 Å²	75.1	69%	0.691	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-76.6	134	176.7	-72.3	178.6	178.5	176.8	0	111.1	E861 P869	E861-K867 HydrophobicContact CG-CG 4.47Å; E861-K867 WeakPolarHBondContact OE1-CE 3.45Å; E861-K867 WeakPolarHBondContact OE1-CG 3.3Å; K867-P869 WeakPolarHBondContact O-CD 3.35Å
868	L	95.1	Very high	93.9	Very high	13 Å²	13	75.1 Å²	75.1	7%	0.068	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.7	121.3	178.1	-179.9	61.6	0	0	0	110.4	I820 L823 L856 A857 F860 L870	I820-L868 HydrophobicContact CG2-CD1 3.98Å; L823-L868 HydrophobicContact CD1-CD2 4.01Å; L823-L868 HydrophobicContact CG-CD2 4.05Å; L856-L868 HydrophobicContact CD2-CD2 4.29Å; L856-L868 HydrophobicContact CG-CD2 4.05Å; A857-L868 HydrophobicContact CB-CB 4.07Å; A857-L868 HydrophobicContact CB-CD2 4.04Å; F860-L868 HydrophobicContact CB-CB 4.1Å; F860-L868 HydrophobicContact CB-CD1 4.46Å; F860-L868 HydrophobicContact CD1-CB 3.68Å; F860-L868 HydrophobicContact CD1-CD1 4.17Å; F860-L868 HydrophobicContact CD2-CD1 3.9Å; F860-L868 HydrophobicContact CE1-CB 4.31Å; F860-L868 HydrophobicContact CE1-CD1 4.4Å; F860-L868 HydrophobicContact CE2-CD1 4.16Å; F860-L868 HydrophobicContact CG-CB 3.94Å; F860-L868 HydrophobicContact CG-CD1 3.91Å; F860-L868 HydrophobicContact CG-CG 4.42Å; F860-L868 HydrophobicContact CZ-CD1 4.4Å; L868-L870 HydrophobicContact CD2-CD2 4.35Å; L868-L870 HydrophobicContact CG-CD2 4.31Å; L868-L870 PolarHBondContact O-N 2.94Å
869	P	95.9	Very high	93.8	Very high	58 Å²	58	73.9 Å²	73.9	38%	0.377	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.8	116.1	-179.2	-24.1	36.2	0	0	0	112.1	A822 L823 K867	A822-P869 CarbonylContact C-O 3.56Å; A822-P869 VanDerWaalsContact CA-O 3.31Å; A822-P869 WeakPolarHBondContact CA-O 3.29Å; A822-P869 HydrophobicContact CB-CB 4.07Å; A822-P869 WeakPolarHBondContact CB-O 3.27Å; L823-P869 PolarHBondContact N-O 3.09Å; K867-P869 WeakPolarHBondContact O-CD 3.35Å
870	L	95.1	Very high	93.5	Very high	26 Å²	26	73.3 Å²	73.3	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.4	175.7	-57.1	-175.6	0	0	0	110.3	L724 L823 I853 L868 F872	L724-L870 HydrophobicContact CB-CD1 4.11Å; L724-L870 HydrophobicContact CD2-CD1 4.16Å; L823-L870 HydrophobicContact CB-CD2 3.86Å; L823-L870 HydrophobicContact CD1-CD2 3.9Å; L823-L870 HydrophobicContact CG-CD2 4.11Å; I853-L870 HydrophobicContact CG2-CD1 4.15Å; I853-L870 HydrophobicContact CG2-CD2 4.09Å; L868-L870 HydrophobicContact CD2-CD2 4.35Å; L868-L870 HydrophobicContact CG-CD2 4.31Å; L868-L870 PolarHBondContact O-N 2.94Å; L870-F872 HydrophobicContact CB-CE2 3.65Å; L870-F872 HydrophobicContact CB-CZ 4.21Å; L870-F872 WeakPolarHBondContact O-CD2 3.07Å
871	K	95.3	Very high	92.9	Very high	119 Å²	119	78.7 Å²	78.7	52%	0.517	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.9	179.3	-61.2	179.3	-179.9	-178.7	0	110.6	A822 L823 S824 L825	A822-K871 HydrophobicContact CB-CD 4.44Å; L823-K871 PolarHBondContact O-N 3.32Å; S824-K871 WeakPolarHBondContact CA-O 3.5Å; L825-K871 PolarHBondContact N-O 2.69Å
872	F	95.1	Very high	92.1	Very high	44 Å²	44	81.6 Å²	81.6	19%	0.193	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	113.2	-178	-66.1	-93.3	0	0	0	110.7	L725 R728 K729 L825 T827 L870	L725-F872 HydrophobicContact CD2-CE1 3.96Å; L725-F872 HydrophobicContact CD2-CZ 3.78Å; R728-F872 HydrophobicContact CB-CD1 3.76Å; R728-F872 HydrophobicContact CB-CD2 3.91Å; R728-F872 HydrophobicContact CB-CE1 3.82Å; R728-F872 HydrophobicContact CB-CE2 3.97Å; R728-F872 HydrophobicContact CB-CG 3.79Å; R728-F872 HydrophobicContact CB-CZ 3.92Å; R728-F872 VanDerWaalsContact CD-CE2 3.44Å; R728-F872 HydrophobicContact CG-CD2 4.22Å; R728-F872 HydrophobicContact CG-CE2 4.29Å; K729-F872 HydrophobicContact CB-CD1 4.2Å; K729-F872 HydrophobicContact CB-CE1 3.98Å; L825-F872 HydrophobicContact CB-CD1 4.09Å; L825-F872 HydrophobicContact CB-CE1 4.1Å; L825-F872 HydrophobicContact CD1-CE1 4.26Å; L825-F872 HydrophobicContact CD1-CZ 4.39Å; L825-F872 WeakPolarHBondContact O-CA 3.39Å; T827-F872 HydrophobicContact CG2-CB 4.33Å; L870-F872 HydrophobicContact CB-CE2 3.65Å; L870-F872 HydrophobicContact CB-CZ 4.21Å; L870-F872 WeakPolarHBondContact O-CD2 3.07Å
873	N	94.4	Very high	90.7	Very high	91 Å²	91	82 Å²	82	49%	0.487	38%	0.381	S	S	.	.			trans	-156	142.9	175.8	-170.7	-17.1	0	0	0	109.4	L825 S826 T875 L876	L825-N873 PolarHBondContact O-N 2.53Å; L825-N873 VanDerWaalsContact O-N 3.1Å; S826-N873 WeakPolarHBondContact CA-O 3.21Å; N873-T875 WeakPolarHBondContact CB-O 3.37Å; N873-T875 PolarHBondContact ND2-O 3.05Å; N873-T875 PolarHBondContact O-N 3.14Å; N873-T875 PolarHBondContact OD1-N 2.96Å; N873-L876 HydrophobicContact CB-CD2 4.1Å; N873-L876 WeakPolarHBondContact O-CD2 3.46Å; N873-L876 WeakPolarHBondContact O-CG 3.11Å
874	N	94.4	Very high	88.8	Confident	46 Å²	46	84.9 Å²	84.9	25%	0.246	40%	0.402	C	S	.	.	S	Bend	trans	-73	-15.9	174	-73.1	6	0	0	0	112.7	T827 F898	T827-N874 WeakPolarHBondContact CB-OD1 3.34Å; T827-N874 WeakPolarHBondContact CG2-OD1 3.36Å; T827-N874 PolarHBondContact N-OD1 2.7Å; T827-N874 PolarHBondContact OG1-OD1 2.64Å; N874-F898 HydrophobicContact CB-CB 4.37Å; N874-F898 WeakPolarHBondContact O-CD2 3.5Å; N874-F898 PolarHBondContact O-N 2.68Å
875	T	94.8	Very high	86.7	Confident	55 Å²	55	94 Å²	94	34%	0.337	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.7	165.5	-56.3	0	0	0	0	108.8	N873 Q895 L897	N873-T875 WeakPolarHBondContact CB-O 3.37Å; N873-T875 PolarHBondContact ND2-O 3.05Å; N873-T875 PolarHBondContact O-N 3.14Å; N873-T875 PolarHBondContact OD1-N 2.96Å; T875-Q895 HydrophobicContact CG2-CG 3.69Å; T875-Q895 VanDerWaalsContact CG2-NE2 3.33Å; T875-L897 WeakPolarHBondContact OG1-CD1 3.38Å
876	L	94.3	Very high	84.3	Confident	10 Å²	10	89 Å²	89	5%	0.052	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.5	177	-58.9	-172.4	0	0	0	111.2	I834 N873 Q895 V896 F898	I834-L876 HydrophobicContact CD1-CB 3.6Å; I834-L876 HydrophobicContact CD1-CD1 3.7Å; I834-L876 HydrophobicContact CD1-CG 4.31Å; I834-L876 HydrophobicContact CG1-CD1 4.16Å; N873-L876 HydrophobicContact CB-CD2 4.1Å; N873-L876 WeakPolarHBondContact O-CD2 3.46Å; N873-L876 WeakPolarHBondContact O-CG 3.11Å; L876-Q895 CarbonylContact O-C 3.59Å; L876-Q895 VanDerWaalsContact O-CA 3.31Å; L876-Q895 WeakPolarHBondContact O-CA 3.49Å; L876-V896 HydrophobicContact CB-CB 4.43Å; L876-V896 PolarHBondContact N-O 2.86Å; L876-V896 PolarHBondContact O-N 3.34Å; L876-F898 HydrophobicContact CD1-CE2 3.81Å; L876-F898 HydrophobicContact CD1-CZ 4.45Å; L876-F898 HydrophobicContact CG-CE2 4.05Å
877	E	91.8	Very high	82.2	Confident	124 Å²	124	91 Å²	91	58%	0.579	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	144.8	172.1	-173	170.9	-150.7	0	0	109.9	H836 S893 R894	H836-E877 PolarHBondContact CE1-O 2.9Å; E877-S893 WeakPolarHBondContact OE1-CB 3.49Å; E877-S893 PolarHBondContact OE1-OG 2.74Å; E877-R894 CarbonylContact C-O 3.51Å
878	M	90.8	Very high	80.1	Confident	9 Å²	9	92.6 Å²	92.6	4%	0.044	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.8	171.6	83.5	-177.7	73.4	0	0	111.4	F776 I834 D841 L843 L880 S893 R894 V896	F776-M878 HydrophobicContact CE1-CE 3.87Å; I834-M878 HydrophobicContact CD1-CB 4.26Å; I834-M878 HydrophobicContact CG2-CB 4.2Å; D841-M878 HydrophobicContact CB-CB 4Å; D841-M878 VanDerWaalsContact OD2-CA 3.31Å; D841-M878 WeakPolarHBondContact OD2-CA 3.43Å; L843-M878 HydrophobicContact CB-CE 3.79Å; L843-M878 HydrophobicContact CB-SD 4.1Å; L843-M878 HydrophobicContact CD1-CE 4.47Å; L843-M878 HydrophobicContact CD2-CE 3.7Å; L843-M878 HydrophobicContact CG-CE 4.18Å; M878-L880 HydrophobicContact CG-CD2 4.42Å; M878-L880 HydrophobicContact SD-CD2 4.38Å; M878-S893 CarbonylContact O-C 3.5Å; M878-S893 WeakPolarHBondContact O-CA 3.44Å; M878-S893 WeakPolarHBondContact O-CB 3.4Å; M878-R894 HydrophobicContact CG-CB 3.92Å; M878-R894 PolarHBondContact N-O 3.28Å; M878-R894 PolarHBondContact O-N 3.45Å; M878-R894 HydrophobicContact SD-CB 4.41Å; M878-V896 HydrophobicContact CE-CG2 3.29Å
879	K	91.4	Very high	77.8	Confident	88 Å²	88	94.3 Å²	94.3	38%	0.383	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.2	171.2	-176.1	-178	-177.6	-174.9	0	110.8	Q838 E839 D841	Q838-K879 PolarHBondContact O-NZ 3.12Å; E839-K879 WeakPolarHBondContact O-CE 3.37Å; E839-K879 PolarHBondContact O-NZ 3.31Å; D841-K879 PolarHBondContact N-O 3.03Å; D841-K879 PolarHBondContact OD2-N 3.05Å
880	L	87.8	Confident	75.5	Confident	28 Å²	28	94.9 Å²	94.9	15%	0.147	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-80.4	156.8	173.7	-63.2	-176.1	0	0	0	112.2	R774 M878 K882 G892 R894	R774-L880 HydrophobicContact CB-CD1 3.95Å; R774-L880 HydrophobicContact CB-CD2 4.05Å; M878-L880 HydrophobicContact CG-CD2 4.42Å; M878-L880 HydrophobicContact SD-CD2 4.38Å; L880-K882 PolarHBondContact O-N 2.93Å; L880-G892 WeakPolarHBondContact CB-O 3.43Å; L880-G892 WeakPolarHBondContact CG-O 3.25Å; L880-G892 PolarHBondContact N-O 3.35Å; L880-R894 HydrophobicContact CD1-CG 3.71Å; L880-R894 HydrophobicContact CD2-CG 4.03Å; L880-R894 HydrophobicContact CG-CG 3.94Å
881	K	83.4	Confident	73.7	Confident	129 Å²	129	95.5 Å²	95.5	56%	0.561	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-67	129.4	170.2	-168.8	175.7	179.3	166.8	0	109.8	Y840	Y840-K881 HydrophobicContact CD1-CB 3.8Å; Y840-K881 HydrophobicContact CD1-CD 3.95Å; Y840-K881 HydrophobicContact CD1-CG 3.69Å; Y840-K881 HydrophobicContact CD2-CB 3.92Å; Y840-K881 HydrophobicContact CE1-CB 4.3Å; Y840-K881 HydrophobicContact CE1-CD 3.68Å; Y840-K881 HydrophobicContact CE1-CG 3.98Å; Y840-K881 HydrophobicContact CE2-CB 4.37Å; Y840-K881 HydrophobicContact CG-CB 3.62Å; Y840-K881 HydrophobicContact CG-CG 4.07Å
882	K	76.1	Confident	72.6	Confident	141 Å²	141	91.5 Å²	91.5	61%	0.613	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-61.2	143.8	169.6	-63.3	-174	179.2	-174.9	0	110.1	L880	L880-K882 PolarHBondContact O-N 2.93Å
883	E	64.9	Low	72	Confident	88 Å²	88	92 Å²	92	41%	0.411	49%	0.494	S	S	.	.			trans	-107.1	134.8	172.7	-63.5	-164.9	126.9	0	0	110.2	R774 W885	R774-E883 VanDerWaalsContact CZ-CD 3.48Å; R774-E883 IonicContact CZ-OE1 2.77Å; R774-E883 IonicContact CZ-OE2 3.21Å; R774-E883 VanDerWaalsContact CZ-OE2 3.23Å; R774-E883 IonicContact NE-OE1 2.83Å; R774-E883 VanDerWaalsContact NH1-CD 3.32Å; R774-E883 IonicContact NH1-OE1 2.67Å; R774-E883 PolarHBondContact NH1-OE1 3.14Å; R774-E883 IonicContact NH1-OE2 2.67Å; R774-E883 PolarHBondContact NH1-OE2 3.29Å; R774-E883 VanDerWaalsContact NH2-CD 3.31Å; R774-E883 IonicContact NH2-OE1 2.71Å; R774-E883 PolarHBondContact NH2-OE1 2.96Å; R774-E883 IonicContact NH2-OE2 2.69Å; R774-E883 PolarHBondContact NH2-OE2 2.83Å; E883-W885 PolarHBondContact O-N 3.16Å
884	N	53.3	Low	71.8	Confident	171 Å²	171	90.5 Å²	90.5	91%	0.914	48%	0.481	S	S	*	.	S	Bend	trans	-79.2	36.4	-176.3	-63.9	16.3	0	0	0	112.6
885	W	47.2	Very low	71.6	Confident	228 Å²	228	92.6 Å²	92.6	86%	0.864	49%	0.49	S	S	*	.	S	Bend	trans	-124.7	104.1	-175.6	-166.2	-78.3	0	0	0	111.8	E883	E883-W885 PolarHBondContact O-N 3.16Å
886	G	43.9	Very low	71.6	Confident	55 Å²	55	90 Å²	90	57%	0.567	47%	0.474	S	S	*	.	S	Bend	trans	77.9	152.2	170.6	0	0	0	0	0	115.7	M888 S889	G886-M888 PolarHBondContact O-N 3.1Å; G886-S889 PolarHBondContact O-N 2.85Å
887	F	47.4	Very low	71.7	Confident	229 Å²	229	92.4 Å²	92.4	100%	1.004	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	12.3	-173.9	-63.9	-88.6	0	0	0	115.2
888	M	49.6	Very low	71.9	Confident	192 Å²	192	86.7 Å²	86.7	95%	0.946	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	32.8	177.8	-69.4	-160.7	-74.3	0	0	113.6	G886	G886-M888 PolarHBondContact O-N 3.1Å
889	S	46.8	Very low	72	Confident	49 Å²	49	88.1 Å²	88.1	34%	0.343	47%	0.469	S	S	.	.			trans	-106.5	66.7	174.5	-162.2	0	0	0	0	112.5	G886	G886-S889 PolarHBondContact O-N 2.85Å
890	G	48.5	Very low	72	Confident	70 Å²	70	90.6 Å²	90.6	72%	0.722	48%	0.482	S	S	*	.			trans	-61.9	137.3	172.4	0	0	0	0	0	111.7	G892	G890-G892 PolarHBondContact O-N 2.93Å
891	G	55.8	Low	72	Confident	39 Å²	39	90.2 Å²	90.2	40%	0.402	49%	0.485	S	S	.	.			trans	-72	70.3	-177.3	0	0	0	0	0	113.5
892	G	73	Confident	72.1	Confident	36 Å²	36	92.6 Å²	92.6	37%	0.371	50%	0.498	S	S	.	.			trans	-67.4	147.6	-174.6	0	0	0	0	0	113.8	L880 G890	L880-G892 WeakPolarHBondContact CB-O 3.43Å; L880-G892 WeakPolarHBondContact CG-O 3.25Å; L880-G892 PolarHBondContact N-O 3.35Å; G890-G892 PolarHBondContact O-N 2.93Å
893	S	82.9	Confident	72.5	Confident	54 Å²	54	88.2 Å²	88.2	38%	0.378	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	173.2	173.8	62.2	0	0	0	0	112.7	E877 M878	E877-S893 WeakPolarHBondContact OE1-CB 3.49Å; E877-S893 PolarHBondContact OE1-OG 2.74Å; M878-S893 CarbonylContact O-C 3.5Å; M878-S893 WeakPolarHBondContact O-CA 3.44Å; M878-S893 WeakPolarHBondContact O-CB 3.4Å
894	R	88.9	Confident	73.2	Confident	59 Å²	59	87 Å²	87	22%	0.223	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141.1	172.9	-76.2	-61.9	-178.3	-78.9	7.8	110.4	F776 E877 M878 L880 S912 K913	F776-R894 HydrophobicContact CE1-CB 4.3Å; F776-R894 HydrophobicContact CZ-CB 3.9Å; F776-R894 HydrophobicContact CZ-CG 4.21Å; E877-R894 CarbonylContact C-O 3.51Å; M878-R894 HydrophobicContact CG-CB 3.92Å; M878-R894 PolarHBondContact N-O 3.28Å; M878-R894 PolarHBondContact O-N 3.45Å; M878-R894 HydrophobicContact SD-CB 4.41Å; L880-R894 HydrophobicContact CD1-CG 3.71Å; L880-R894 HydrophobicContact CD2-CG 4.03Å; L880-R894 HydrophobicContact CG-CG 3.94Å; R894-S912 PolarHBondContact NE-O 3.25Å; R894-S912 PolarHBondContact NH2-O 2.84Å; R894-K913 WeakPolarHBondContact CD-O 3.47Å
895	Q	91.8	Very high	74.7	Confident	91 Å²	91	84 Å²	84	43%	0.425	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.2	-177.7	-166	-178.2	66.2	0	0	111.4	T875 L876 K913 S914 L915	T875-Q895 HydrophobicContact CG2-CG 3.69Å; T875-Q895 VanDerWaalsContact CG2-NE2 3.33Å; L876-Q895 CarbonylContact O-C 3.59Å; L876-Q895 VanDerWaalsContact O-CA 3.31Å; L876-Q895 WeakPolarHBondContact O-CA 3.49Å; Q895-K913 PolarHBondContact N-O 2.67Å; Q895-S914 CarbonylContact O-C 3.59Å; Q895-S914 WeakPolarHBondContact O-CA 3.48Å; Q895-L915 PolarHBondContact O-N 3.03Å
896	V	94.8	Very high	76.7	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.3	168.9	-167.1	0	0	0	0	108	F776 I834 L843 L876 M878 F898 L915 V917	F776-V896 HydrophobicContact CE1-CG2 4.49Å; I834-V896 HydrophobicContact CD1-CG2 4.43Å; L843-V896 HydrophobicContact CD1-CG2 4.41Å; L843-V896 HydrophobicContact CD2-CG2 4.14Å; L876-V896 HydrophobicContact CB-CB 4.43Å; L876-V896 PolarHBondContact N-O 2.86Å; L876-V896 PolarHBondContact O-N 3.34Å; M878-V896 HydrophobicContact CE-CG2 3.29Å; V896-F898 HydrophobicContact CB-CE2 3.88Å; V896-F898 HydrophobicContact CG1-CD2 4.06Å; V896-F898 HydrophobicContact CG1-CE2 3.37Å; V896-F898 HydrophobicContact CG1-CZ 3.64Å; V896-L915 CarbonylContact C-O 3.52Å; V896-L915 WeakPolarHBondContact CA-O 3.06Å; V896-L915 HydrophobicContact CG1-CB 4.3Å; V896-L915 HydrophobicContact CG1-CD2 4.19Å; V896-L915 HydrophobicContact CG1-CG 4.32Å; V896-V917 HydrophobicContact CG1-CG2 3.66Å
897	L	95.3	Very high	79	Confident	60 Å²	60	75.4 Å²	75.4	31%	0.314	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.1	-176.9	177	63.3	0	0	0	109.5	T875 V899 L915 Q916 V917	T875-L897 WeakPolarHBondContact OG1-CD1 3.38Å; L897-V899 HydrophobicContact CD2-CG1 4.39Å; L897-V899 HydrophobicContact CG-CG1 4.1Å; L897-L915 PolarHBondContact N-O 3.09Å; L897-Q916 CarbonylContact O-C 3.52Å; L897-Q916 WeakPolarHBondContact O-CA 3.36Å; L897-V917 PolarHBondContact O-N 3.44Å
898	F	95.8	Very high	81.2	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.018	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.4	179.2	-65.3	-100	0	0	0	110	L828 D830 F832 N874 L876 V896 V917	L828-F898 HydrophobicContact CD1-CB 4.13Å; D830-F898 HydrophobicContact CB-CD1 4.37Å; D830-F898 HydrophobicContact CB-CE1 4.22Å; D830-F898 WeakPolarHBondContact OD1-CE1 3.49Å; F832-F898 HydrophobicContact CB-CE1 3.93Å; F832-F898 HydrophobicContact CB-CZ 3.8Å; F832-F898 AromaticContact CD2-CE1 3.94Å; F832-F898 HydrophobicContact CD2-CE1 3.94Å; F832-F898 HydrophobicContact CD2-CZ 4.47Å; F832-F898 HydrophobicContact CG-CE1 4.07Å; F832-F898 HydrophobicContact CG-CZ 4.16Å; N874-F898 HydrophobicContact CB-CB 4.37Å; N874-F898 WeakPolarHBondContact O-CD2 3.5Å; N874-F898 PolarHBondContact O-N 2.68Å; L876-F898 HydrophobicContact CD1-CE2 3.81Å; L876-F898 HydrophobicContact CD1-CZ 4.45Å; L876-F898 HydrophobicContact CG-CE2 4.05Å; V896-F898 HydrophobicContact CB-CE2 3.88Å; V896-F898 HydrophobicContact CG1-CD2 4.06Å; V896-F898 HydrophobicContact CG1-CE2 3.37Å; V896-F898 HydrophobicContact CG1-CZ 3.64Å; F898-V917 CarbonylContact C-O 3.56Å; F898-V917 WeakPolarHBondContact CA-O 3.46Å; F898-V917 HydrophobicContact CD1-CB 3.64Å; F898-V917 HydrophobicContact CD1-CG1 3.72Å; F898-V917 HydrophobicContact CD1-CG2 4.18Å; F898-V917 HydrophobicContact CE1-CB 3.87Å; F898-V917 HydrophobicContact CE1-CG1 3.8Å; F898-V917 HydrophobicContact CE1-CG2 3.95Å; F898-V917 HydrophobicContact CG-CB 4.22Å; F898-V917 HydrophobicContact CZ-CG2 4.29Å
899	V	93.6	Very high	83.3	Confident	40 Å²	40	64.8 Å²	64.8	24%	0.242	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.2	179.2	-59.3	0	0	0	0	110.8	L828 L897 Q916 V917 S918 I919	L828-V899 WeakPolarHBondContact CD1-O 3.46Å; L897-V899 HydrophobicContact CD2-CG1 4.39Å; L897-V899 HydrophobicContact CG-CG1 4.1Å; V899-Q916 HydrophobicContact CG1-CG 4.37Å; V899-Q916 HydrophobicContact CG2-CG 3.99Å; V899-V917 PolarHBondContact N-O 3.13Å; V899-S918 WeakPolarHBondContact O-CA 3.44Å; V899-I919 PolarHBondContact O-N 2.94Å
900	Q	90.4	Very high	85.4	Confident	139 Å²	139	66.3 Å²	66.3	65%	0.65	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	137.2	173.1	-170.1	168.9	-17.1	0	0	110
901	G	89	Confident	87.1	Confident	21 Å²	21	66.2 Å²	66.2	22%	0.216	39%	0.388	C	S	.	.			trans	-140.7	-143.5	-177.5	0	0	0	0	0	111.9	S918 I919 G920	G901-S918 WeakPolarHBondContact CA-OG 3.37Å; G901-I919 PolarHBondContact N-O 2.8Å; G901-G920 WeakPolarHBondContact O-CA 3.36Å
902	Q	84.3	Confident	88.1	Confident	179 Å²	179	68.9 Å²	68.9	84%	0.836	40%	0.401	S	S	*	.	S	Bend	trans	-127.6	145.4	178.5	-63.8	-178.3	-4.2	0	0	110.4
903	G	84.5	Confident	88.7	Confident	48 Å²	48	74.6 Å²	74.6	50%	0.495	42%	0.415	S	S	.	.	S	Bend	trans	83.4	160.4	177.1	0	0	0	0	0	116.3	V905 G920	G903-V905 VanDerWaalsContact C-N 3.27Å; G903-V905 PolarHBondContact O-N 2.81Å; G903-G920 WeakPolarHBondContact O-CA 3.24Å; G903-G920 PolarHBondContact O-N 3.16Å
904	D	80.4	Confident	89.1	Confident	63 Å²	63	73.7 Å²	73.7	34%	0.337	41%	0.409	S	S	.	.	S	Bend	trans	-87.7	19.7	-177.5	-77.3	-30.1	0	0	0	114	R732 Q829	R732-D904 PolarHBondContact NH2-O 3.12Å; Q829-D904 PolarHBondContact NE2-OD1 2.82Å
905	V	85.6	Confident	89.3	Confident	107 Å²	107	71 Å²	71	65%	0.648	40%	0.399	S	S	*	.	S	Bend	trans	-129.8	134.9	179.3	-179.3	0	0	0	0	108.6	G903 V907	G903-V905 VanDerWaalsContact C-N 3.27Å; G903-V905 PolarHBondContact O-N 2.81Å; V905-V907 PolarHBondContact O-N 2.96Å
906	A	89.3	Confident	89.4	Confident	24 Å²	24	70 Å²	70	20%	0.198	39%	0.394	C	S	.	.			trans	-74.6	122.6	-179.1	0	0	0	0	0	111.8	F832 L908 V917 S918 I919	F832-A906 HydrophobicContact CE2-CB 4.11Å; A906-L908 HydrophobicContact CB-CD2 4.42Å; A906-V917 HydrophobicContact CB-CG1 3.99Å; A906-S918 CarbonylContact C-O 3.59Å; A906-S918 WeakPolarHBondContact CA-O 3.5Å; A906-I919 HydrophobicContact CB-CD1 4.36Å
907	V	92.1	Very high	89.4	Confident	80 Å²	80	70 Å²	70	49%	0.485	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.3	171.6	-179.5	0	0	0	0	108.9	V905 S918	V905-V907 PolarHBondContact O-N 2.96Å; V907-S918 PolarHBondContact N-O 3.43Å; V907-S918 PolarHBondContact O-N 3.14Å
908	L	93.4	Very high	89.4	Confident	60 Å²	60	68.5 Å²	68.5	31%	0.314	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.2	-171.7	-57	-178	0	0	0	111.1	Y772 F832 A906 L915 V917	Y772-L908 HydrophobicContact CE1-CD1 3.8Å; F832-L908 HydrophobicContact CE2-CD2 4.26Å; F832-L908 HydrophobicContact CZ-CD1 4.39Å; F832-L908 HydrophobicContact CZ-CD2 3.84Å; A906-L908 HydrophobicContact CB-CD2 4.42Å; L908-L915 HydrophobicContact CB-CD1 4.24Å; L908-V917 HydrophobicContact CD2-CB 4.26Å; L908-V917 HydrophobicContact CD2-CG1 3.92Å; L908-V917 HydrophobicContact CD2-CG2 3.88Å
909	K	92.7	Very high	89.2	Confident	137 Å²	137	68.6 Å²	68.6	60%	0.596	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	93.5	172.5	-68.7	-177.8	178.3	-176.3	0	109.2	Q916	K909-Q916 HydrophobicContact CB-CB 4.22Å; K909-Q916 PolarHBondContact N-O 3.49Å; K909-Q916 PolarHBondContact O-N 2.96Å
910	P	90.4	Very high	89	Confident	82 Å²	82	66.9 Å²	66.9	53%	0.532	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	144.8	179	32.1	-34.7	0	0	0	112	F776 L915	F776-P910 HydrophobicContact CB-CB 4.05Å; F776-P910 HydrophobicContact CD2-CB 4.25Å; P910-L915 HydrophobicContact CB-CD1 4.11Å
911	S	86.1	Confident	88.9	Confident	67 Å²	67	63.8 Å²	63.8	47%	0.469	37%	0.372	S	S	.	.			trans	-129.9	171.6	172.8	-179.3	0	0	0	0	109.9	F776 K913 S914	F776-S911 WeakPolarHBondContact CE2-O 3.4Å; S911-K913 VanDerWaalsContact C-N 3.27Å; S911-K913 PolarHBondContact O-N 2.92Å; S911-S914 CarbonylContact C-O 3.51Å; S911-S914 WeakPolarHBondContact CA-O 2.75Å; S911-S914 WeakPolarHBondContact CB-O 3.36Å; S911-S914 PolarHBondContact N-O 3Å
912	S	76.8	Confident	88.7	Confident	95 Å²	95	63.8 Å²	63.8	66%	0.664	37%	0.372	S	S	*	.	S	Bend	trans	-63.8	-28.3	-175.7	62	0	0	0	0	114.1	R894	R894-S912 PolarHBondContact NE-O 3.25Å; R894-S912 PolarHBondContact NH2-O 2.84Å
913	K	84.5	Confident	88.8	Confident	156 Å²	156	57.8 Å²	57.8	68%	0.678	35%	0.345	S	S	*	.	S	Bend	trans	-119.9	-15.1	-179.8	-67.3	-175	-180	179.5	0	114.7	R894 Q895 S911	R894-K913 WeakPolarHBondContact CD-O 3.47Å; Q895-K913 PolarHBondContact N-O 2.67Å; S911-K913 VanDerWaalsContact C-N 3.27Å; S911-K913 PolarHBondContact O-N 2.92Å
914	S	90.6	Very high	89	Confident	36 Å²	36	59.1 Å²	59.1	25%	0.252	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.8	-175.8	57.9	0	0	0	0	113.6	F776 Q895 S911	F776-S914 VanDerWaalsContact CE2-O 3.24Å; F776-S914 WeakPolarHBondContact CE2-O 3.23Å; Q895-S914 CarbonylContact O-C 3.59Å; Q895-S914 WeakPolarHBondContact O-CA 3.48Å; S911-S914 CarbonylContact C-O 3.51Å; S911-S914 WeakPolarHBondContact CA-O 2.75Å; S911-S914 WeakPolarHBondContact CB-O 3.36Å; S911-S914 PolarHBondContact N-O 3Å
915	L	93.6	Very high	89.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.8	170.5	172.6	63.6	0	0	0	109	F776 L843 Q895 V896 L897 L908 P910 V917	F776-L915 HydrophobicContact CB-CB 4.42Å; F776-L915 HydrophobicContact CB-CD1 4.2Å; F776-L915 HydrophobicContact CB-CD2 4.26Å; F776-L915 HydrophobicContact CD1-CB 3.57Å; F776-L915 HydrophobicContact CD1-CD2 3.85Å; F776-L915 HydrophobicContact CD1-CG 4.25Å; F776-L915 HydrophobicContact CD2-CB 3.94Å; F776-L915 HydrophobicContact CE1-CB 3.58Å; F776-L915 HydrophobicContact CE1-CD2 4.47Å; F776-L915 HydrophobicContact CE2-CB 3.98Å; F776-L915 HydrophobicContact CG-CB 3.72Å; F776-L915 HydrophobicContact CG-CD1 4.38Å; F776-L915 HydrophobicContact CG-CD2 4.22Å; F776-L915 HydrophobicContact CG-CG 4.33Å; F776-L915 HydrophobicContact CZ-CB 3.77Å; L843-L915 HydrophobicContact CD2-CD2 4.04Å; Q895-L915 PolarHBondContact O-N 3.03Å; V896-L915 CarbonylContact C-O 3.52Å; V896-L915 WeakPolarHBondContact CA-O 3.06Å; V896-L915 HydrophobicContact CG1-CB 4.3Å; V896-L915 HydrophobicContact CG1-CD2 4.19Å; V896-L915 HydrophobicContact CG1-CG 4.32Å; L897-L915 PolarHBondContact N-O 3.09Å; L908-L915 HydrophobicContact CB-CD1 4.24Å; P910-L915 HydrophobicContact CB-CD1 4.11Å; L915-V917 HydrophobicContact CD2-CG2 4.02Å; L915-V917 HydrophobicContact CG-CG2 3.91Å
916	Q	94.9	Very high	89.3	Confident	70 Å²	70	59.2 Å²	59.2	33%	0.327	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.8	168.9	-172.4	-177.3	37.6	0	0	109.4	L897 V899 K909	L897-Q916 CarbonylContact O-C 3.52Å; L897-Q916 WeakPolarHBondContact O-CA 3.36Å; V899-Q916 HydrophobicContact CG1-CG 4.37Å; V899-Q916 HydrophobicContact CG2-CG 3.99Å; K909-Q916 HydrophobicContact CB-CB 4.22Å; K909-Q916 PolarHBondContact N-O 3.49Å; K909-Q916 PolarHBondContact O-N 2.96Å
917	V	95.1	Very high	89.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.9	177.7	-175.7	0	0	0	0	107.8	F832 V896 L897 F898 V899 A906 L908 L915	F832-V917 HydrophobicContact CD2-CG1 4.3Å; F832-V917 HydrophobicContact CE2-CG1 3.94Å; V896-V917 HydrophobicContact CG1-CG2 3.66Å; L897-V917 PolarHBondContact O-N 3.44Å; F898-V917 CarbonylContact C-O 3.56Å; F898-V917 WeakPolarHBondContact CA-O 3.46Å; F898-V917 HydrophobicContact CD1-CB 3.64Å; F898-V917 HydrophobicContact CD1-CG1 3.72Å; F898-V917 HydrophobicContact CD1-CG2 4.18Å; F898-V917 HydrophobicContact CE1-CB 3.87Å; F898-V917 HydrophobicContact CE1-CG1 3.8Å; F898-V917 HydrophobicContact CE1-CG2 3.95Å; F898-V917 HydrophobicContact CG-CB 4.22Å; F898-V917 HydrophobicContact CZ-CG2 4.29Å; V899-V917 PolarHBondContact N-O 3.13Å; A906-V917 HydrophobicContact CB-CG1 3.99Å; L908-V917 HydrophobicContact CD2-CB 4.26Å; L908-V917 HydrophobicContact CD2-CG1 3.92Å; L908-V917 HydrophobicContact CD2-CG2 3.88Å; L915-V917 HydrophobicContact CD2-CG2 4.02Å; L915-V917 HydrophobicContact CG-CG2 3.91Å
918	S	93.8	Very high	88.5	Confident	30 Å²	30	62.3 Å²	62.3	21%	0.21	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.8	179.7	-177.8	0	0	0	0	110.4	V899 G901 A906 V907	V899-S918 WeakPolarHBondContact O-CA 3.44Å; G901-S918 WeakPolarHBondContact CA-OG 3.37Å; A906-S918 CarbonylContact C-O 3.59Å; A906-S918 WeakPolarHBondContact CA-O 3.5Å; V907-S918 PolarHBondContact N-O 3.43Å; V907-S918 PolarHBondContact O-N 3.14Å
919	I	92.8	Very high	87.6	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.9	179.5	-164.9	166.9	0	0	0	111.9	L828 Q829 D830 V899 G901 A906	L828-I919 HydrophobicContact CB-CG2 3.9Å; L828-I919 HydrophobicContact CD1-CG2 3.97Å; Q829-I919 HydrophobicContact CG-CD1 4.02Å; Q829-I919 HydrophobicContact CG-CG1 4.29Å; D830-I919 HydrophobicContact CB-CD1 4.08Å; D830-I919 HydrophobicContact CB-CG2 4.36Å; V899-I919 PolarHBondContact O-N 2.94Å; G901-I919 PolarHBondContact N-O 2.8Å; A906-I919 HydrophobicContact CB-CD1 4.36Å
920	G	89	Confident	86.4	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	32%	0.324	C	S	.	.			trans	-65.3	159.8	176.4	0	0	0	0	0	114	Q829 G901 G903	Q829-G920 WeakPolarHBondContact CG-O 3.28Å; Q829-G920 PolarHBondContact NE2-O 3.01Å; G901-G920 WeakPolarHBondContact O-CA 3.36Å; G903-G920 WeakPolarHBondContact O-CA 3.24Å; G903-G920 PolarHBondContact O-N 3.16Å
921	P	87	Confident	84.7	Confident	75 Å²	75	63.2 Å²	63.2	49%	0.487	34%	0.336	S	S	.	.			trans	-62.6	135.9	-178.6	26.2	-34.6	0	0	0	112.3	Q829	Q829-P921 PolarHBondContact NE2-O 3.33Å
922	G	86.4	Confident	82.9	Confident	20 Å²	20	69.6 Å²	69.6	21%	0.206	36%	0.355	C	S	.	.			trans	-85.3	-166	175.3	0	0	0	0	0	113.6	Q829	Q829-G922 VanDerWaalsContact CD-CA 3.48Å
923	L	86.8	Confident	81.2	Confident	53 Å²	53	67.5 Å²	67.5	28%	0.277	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-72.8	148.1	161.7	-58.2	170.8	0	0	0	109.5	R731 R733 L736 T927	R731-L923 HydrophobicContact CB-CB 4.21Å; R731-L923 PolarHBondContact N-O 2.92Å; R731-L923 VanDerWaalsContact O-CB 3.27Å; R731-L923 WeakPolarHBondContact O-CB 3.47Å; R731-L923 PolarHBondContact O-N 3.01Å; R733-L923 HydrophobicContact CB-CD1 4.39Å; R733-L923 HydrophobicContact CG-CD1 4.06Å; R733-L923 HydrophobicContact CG-CD2 4.18Å; R733-L923 HydrophobicContact CG-CG 3.89Å; L736-L923 HydrophobicContact CD1-CD1 3.72Å; L923-T927 HydrophobicContact CB-CG2 4.41Å; L923-T927 HydrophobicContact CD1-CG2 4.38Å
924	P	86.8	Confident	79.2	Confident	76 Å²	76	68.4 Å²	68.4	49%	0.494	35%	0.353	S	S	.	.			trans	-50.7	148.9	-178	-31.9	37.7	0	0	0	115.1	N926 T927	P924-N926 VanDerWaalsContact CB-OD1 3.24Å; P924-N926 WeakPolarHBondContact CB-OD1 3.47Å; P924-N926 PolarHBondContact O-N 3.05Å; P924-N926 VanDerWaalsContact O-N 3.08Å; P924-T927 VanDerWaalsContact O-CB 3.25Å; P924-T927 WeakPolarHBondContact O-CB 3.22Å; P924-T927 PolarHBondContact O-N 2.6Å; P924-T927 PolarHBondContact O-OG1 3.08Å
925	K	87.1	Confident	76.7	Confident	67 Å²	67	71.3 Å²	71.3	29%	0.291	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	-176.5	-54.4	-176.7	176.2	171.7	0	114.2	N727 D730 T827	N727-K925 PolarHBondContact N-O 2.78Å; D730-K925 WeakPolarHBondContact OD1-CE 3.34Å; D730-K925 WeakPolarHBondContact OD1-CG 3.36Å; T827-K925 VanDerWaalsContact CB-NZ 3.28Å; T827-K925 VanDerWaalsContact O-CE 3.27Å; T827-K925 WeakPolarHBondContact O-CE 3.47Å; T827-K925 PolarHBondContact OG1-NZ 3.43Å
926	N	85.9	Confident	74.1	Confident	105 Å²	105	80.2 Å²	80.2	56%	0.561	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.3	176.6	64.5	-12.7	0	0	0	114.2	N727 P924 R928	N727-N926 VanDerWaalsContact OD1-CA 3.3Å; N727-N926 WeakPolarHBondContact OD1-CA 3.36Å; N727-N926 VanDerWaalsContact OD1-CB 3.26Å; N727-N926 WeakPolarHBondContact OD1-CB 3.26Å; P924-N926 VanDerWaalsContact CB-OD1 3.24Å; P924-N926 WeakPolarHBondContact CB-OD1 3.47Å; P924-N926 PolarHBondContact O-N 3.05Å; P924-N926 VanDerWaalsContact O-N 3.08Å; N926-R928 PolarHBondContact O-N 2.89Å
927	T	85.1	Confident	71.1	Confident	37 Å²	37	82 Å²	82	23%	0.227	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-68	116.5	-177.8	-48.4	0	0	0	0	111.1	L736 L923 P924	L736-T927 HydrophobicContact CD1-CG2 3.5Å; L736-T927 VanDerWaalsContact CD1-CG2 3.5Å; L736-T927 WeakPolarHBondContact CD2-O 3.2Å; L923-T927 HydrophobicContact CB-CG2 4.41Å; L923-T927 HydrophobicContact CD1-CG2 4.38Å; P924-T927 VanDerWaalsContact O-CB 3.25Å; P924-T927 WeakPolarHBondContact O-CB 3.22Å; P924-T927 PolarHBondContact O-N 2.6Å; P924-T927 PolarHBondContact O-OG1 3.08Å
928	R	80.1	Confident	68.3	Low	133 Å²	133	94.2 Å²	94.2	50%	0.502	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-92.2	153.4	176.4	-69.9	-177.4	167.1	-76.4	-0.1	112.4	D723 L726 N926	D723-R928 IonicContact OD1-CZ 2.69Å; D723-R928 VanDerWaalsContact OD1-CZ 3.24Å; D723-R928 IonicContact OD1-NH1 2.7Å; D723-R928 PolarHBondContact OD1-NH1 2.95Å; D723-R928 IonicContact OD1-NH2 3.65Å; D723-R928 PolarHBondContact OD1-NH2 2.94Å; D723-R928 IonicContact OD2-NH1 2.94Å; L726-R928 HydrophobicContact CD1-CG 3.96Å; L726-R928 VanDerWaalsContact CD2-CZ 3.5Å; N926-R928 PolarHBondContact O-N 2.89Å
929	P	74.1	Confident	65.3	Low	18 Å²	18	96.9 Å²	96.9	12%	0.117	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-57.4	142.1	168.4	-24.7	34.7	0	0	0	111.9	S722 L736	S722-P929 VanDerWaalsContact OG-CD 3.28Å; S722-P929 WeakPolarHBondContact OG-CD 3.36Å; L736-P929 HydrophobicContact CD2-CG 4.24Å; L736-P929 WeakPolarHBondContact O-CB 3.34Å
930	T	67.1	Low	62.6	Low	73 Å²	73	104.8 Å²	104.8	45%	0.448	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-82.5	134.3	-176.2	53.2	0	0	0	0	111.6	R718 N737 K932	R718-T930 PolarHBondContact NH2-O 2.85Å; N737-T930 PolarHBondContact ND2-OG1 3.16Å; N737-T930 PolarHBondContact OD1-N 2.76Å; N737-T930 PolarHBondContact OD1-OG1 2.72Å; T930-K932 VanDerWaalsContact C-N 3.3Å; T930-K932 PolarHBondContact O-N 2.73Å
931	R	54.9	Low	59.8	Low	206 Å²	206	113 Å²	113	78%	0.777	58%	0.582	S	S	*	*	S	Bend	trans	-71.6	-15.9	174.4	-80	-173.3	170	-175	-3.5	114.6	E719 G933	E719-R931 IonicContact OE1-CZ 3.39Å; E719-R931 IonicContact OE1-NE 3.15Å; E719-R931 PolarHBondContact OE1-NE 3.01Å; E719-R931 VanDerWaalsContact OE1-NE 3.15Å; E719-R931 IonicContact OE1-NH2 2.7Å; E719-R931 PolarHBondContact OE1-NH2 2.8Å; E719-R931 IonicContact OE2-NH2 3.21Å; R931-G933 PolarHBondContact O-N 3.49Å
932	K	49.2	Very low	57.1	Low	201 Å²	201	115 Å²	115	87%	0.874	60%	0.598	S	S	*	*			trans	-65.4	104.3	168.9	-74.3	-170.9	176.6	-177.1	0	109.3	T930	T930-K932 VanDerWaalsContact C-N 3.3Å; T930-K932 PolarHBondContact O-N 2.73Å
933	G	40.6	Very low	54.9	Low	52 Å²	52	125.2 Å²	125.2	54%	0.536	63%	0.63	S	S	.	*			trans	-106.9	139.5	-176.1	0	0	0	0	0	113.8	R931 S935	R931-G933 PolarHBondContact O-N 3.49Å; G933-S935 PolarHBondContact O-N 2.95Å
934	F	42.4	Very low	52.3	Low	175 Å²	175	129.6 Å²	129.6	77%	0.768	65%	0.654	S	S	*	*	S	Bend	trans	51.8	9.1	152.8	-80.4	-79.4	0	0	0	120.5	N739	N739-F934 WeakPolarHBondContact OD1-CZ 3.34Å
935	S	37.8	Very low	49.6	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	67%	0.67	S	S	*	*	S	Bend	trans	-107.6	138.7	164.7	-168.6	0	0	0	0	109.6	G933	G933-S935 PolarHBondContact O-N 2.95Å
936	Q	39.8	Very low	47.1	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.883	70%	0.702	S	S	*	*			trans	57.5	82.6	173.9	-63.7	175.1	-15.1	0	0	116.4
937	S	31.6	Very low	44.5	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	71%	0.709	S	S	*	*			trans	-140.7	68.5	145	-173.6	0	0	0	0	110.8
938	R	35.4	Very low	42	Very low	255 Å²	255	146.2 Å²	146.2	96%	0.962	74%	0.738	S	S	*	*			trans	-108.7	67.5	153.7	-88.2	-170.2	171.7	-175.7	-2.2	107.9
939	S	30.8	Very low	40	Very low	86 Å²	86	145.2 Å²	145.2	60%	0.601	75%	0.752	S	S	*	*			trans	-89.6	122.7	168.9	51.1	0	0	0	0	108.9	M941	S939-M941 PolarHBondContact O-N 2.71Å
940	N	37.5	Very low	38.8	Very low	172 Å²	172	151.4 Å²	151.4	92%	0.92	77%	0.773	S	S	*	*			trans	-59.7	126.4	166.6	-79.2	-12.4	0	0	0	109
941	M	30.4	Very low	37.3	Very low	177 Å²	177	152.2 Å²	152.2	87%	0.872	79%	0.786	S	S	*	*			trans	-131.7	142.1	159.4	-78.1	-157.1	74	0	0	109.2	S939	S939-M941 PolarHBondContact O-N 2.71Å
942	S	29.3	Very low	36.3	Very low	115 Å²	115	145 Å²	145	80%	0.804	77%	0.771	S	S	*	*			trans	-66.9	153.9	-171.9	-168.5	0	0	0	0	112.7	N944	S942-N944 PolarHBondContact O-N 2.98Å; S942-N944 VanDerWaalsContact O-N 3.12Å
943	R	39.6	Very low	35.7	Very low	236 Å²	236	139.9 Å²	139.9	89%	0.891	76%	0.758	S	S	*	*	S	Bend	trans	-68.6	102	162.2	-76.5	177.7	170.1	172.3	-4.2	108.9
944	N	32.9	Very low	35.3	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	76%	0.764	S	S	*	*			trans	-171.7	106.9	137.3	-99.5	-13.9	0	0	0	112	S942	S942-N944 PolarHBondContact O-N 2.98Å; S942-N944 VanDerWaalsContact O-N 3.12Å
945	H	29.8	Very low	34.7	Very low	181 Å²	181	138 Å²	138	84%	0.838	77%	0.766	S	S	*	*			trans	172.4	139.2	132.8	-88.5	-56.6	0	0	0	108.8	V947	H945-V947 PolarHBondContact O-N 2.87Å
946	H	33.7	Very low	34.5	Very low	205 Å²	205	138.8 Å²	138.8	95%	0.949	77%	0.768	S	S	*	*			trans	-77.9	110.6	175.5	-95.3	41	0	0	0	110.6
947	V	33.2	Very low	34	Very low	117 Å²	117	134.2 Å²	134.2	71%	0.709	76%	0.763	S	S	*	*			trans	-133.5	130.4	169.2	-176.9	0	0	0	0	108.1	H945 S949	H945-V947 PolarHBondContact O-N 2.87Å; V947-S949 VanDerWaalsContact C-N 3.32Å; V947-S949 PolarHBondContact O-N 3.19Å
948	P	31.8	Very low	33.9	Very low	131 Å²	131	132.4 Å²	132.4	85%	0.851	76%	0.762	S	S	*	*			trans	-74.5	80.2	-175.2	29.8	-35.7	0	0	0	112.4	R950	P948-R950 PolarHBondContact O-N 2.85Å
949	S	37	Very low	33.5	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	76%	0.757	S	S	*	*			trans	-74.7	104.7	169	-175.1	0	0	0	0	110.3	V947 A951	V947-S949 VanDerWaalsContact C-N 3.32Å; V947-S949 PolarHBondContact O-N 3.19Å; S949-A951 PolarHBondContact O-N 2.83Å
950	R	49.6	Very low	33.5	Very low	148 Å²	148	134 Å²	134	56%	0.558	77%	0.77	S	S	*	*			trans	-72	103.9	165.4	-82.3	-172.7	176.8	162.3	0.6	109.2	K768 P948	K768-R950 PolarHBondContact O-NH1 2.8Å; P948-R950 PolarHBondContact O-N 2.85Å
951	A	35.1	Very low	33	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.5	156	163.2	0	0	0	0	0	110.7	S949	S949-A951 PolarHBondContact O-N 2.83Å
952	A	34.9	Very low	33	Very low	56 Å²	56	129 Å²	129	46%	0.463	77%	0.768	S	S	.	*	P	Polyproline II helix	trans	-74	156.1	170.5	0	0	0	0	0	110.7	I741	I741-A952 HydrophobicContact CD1-CB 3.94Å
953	P	37.2	Very low	32.8	Very low	92 Å²	92	127 Å²	127	60%	0.597	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.9	154.5	168.4	-23.5	34.4	0	0	0	112.5
954	G	32.2	Very low	32.2	Very low	63 Å²	63	124.5 Å²	124.5	65%	0.649	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.1	156	167.5	0	0	0	0	0	111.5
955	P	30	Very low	31.9	Very low	126 Å²	126	126.9 Å²	126.9	82%	0.818	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.7	145.7	176.2	28.9	-34.7	0	0	0	111
956	P	32.1	Very low	31.8	Very low	111 Å²	111	126 Å²	126	72%	0.721	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.8	142.2	176.1	-24.7	34.3	0	0	0	112.6	G958	P956-G958 PolarHBondContact O-N 2.82Å
957	A	30.1	Very low	31.5	Very low	94 Å²	94	121.3 Å²	121.3	78%	0.777	76%	0.759	S	S	*	*			trans	-71	110.1	170.9	0	0	0	0	0	109.4	H959	A957-H959 PolarHBondContact O-N 2.82Å
958	G	28.6	Very low	31.2	Very low	70 Å²	70	123.2 Å²	123.2	72%	0.722	77%	0.766	S	S	*	*			trans	-65.3	118.5	177.7	0	0	0	0	0	111.3	P956 Q960	P956-G958 PolarHBondContact O-N 2.82Å; G958-Q960 PolarHBondContact O-N 3.45Å; G958-Q960 VanDerWaalsContact O-N 3.12Å
959	H	28.3	Very low	31	Very low	186 Å²	186	126 Å²	126	86%	0.861	77%	0.767	S	S	*	*			trans	-54.5	114.6	176.6	-78.2	-91.7	0	0	0	111.6	A957	A957-H959 PolarHBondContact O-N 2.82Å
960	Q	29.3	Very low	30.6	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	77%	0.769	S	S	*	*			trans	-92	115.8	161.1	-69.4	-174.2	-4.4	0	0	108.6	G958	G958-Q960 PolarHBondContact O-N 3.45Å; G958-Q960 VanDerWaalsContact O-N 3.12Å
961	N	28.8	Very low	29.6	Very low	156 Å²	156	125.2 Å²	125.2	83%	0.834	78%	0.775	S	S	*	*			trans	-88.7	135.9	166.9	-86.4	-7.4	0	0	0	109.9
962	G	28.5	Very low	29.2	Very low	88 Å²	88	129.1 Å²	129.1	91%	0.907	78%	0.783	S	S	*	*			trans	81	71.4	159.5	0	0	0	0	0	116.6
963	G	25.3	Very low	28.9	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	80%	0.799	S	S	*	*			trans	-143.5	125.7	163.1	0	0	0	0	0	110
964	L	27.4	Very low	28.4	Very low	183 Å²	183	141.1 Å²	141.1	96%	0.958	81%	0.812	S	S	*	*			trans	-67.9	133.7	-174.6	-80.4	155.5	0	0	0	111.5
965	K	26.7	Very low	28.2	Very low	196 Å²	196	144.4 Å²	144.4	85%	0.852	81%	0.814	S	S	*	*			trans	-65.7	138	165	-67	177.1	178.8	177	0	108.7
966	N	27.1	Very low	28.1	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	81%	0.805	S	S	*	*			trans	-137.1	134.3	149.5	-150.9	3.6	0	0	0	109.3
967	T	27.6	Very low	27.9	Very low	107 Å²	107	145.4 Å²	145.4	66%	0.656	81%	0.808	S	S	*	*			trans	-99.5	139.5	-175.1	44.3	0	0	0	0	110.4
968	N	28.2	Very low	27.9	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	81%	0.813	S	S	*	*				-176.6	144	126.5	-89.8	-16.6	0	0	0	111.9
969	H	27.6	Very low	28	Very low	190 Å²	190	154.6 Å²	154.6	88%	0.88	82%	0.816	S	S	*	*			trans	-120	107.9	175.7	-110.3	-63.8	0	0	0	109.1
970	I	28.1	Very low	28	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	80%	0.799	S	S	*	*			trans	-144.1	103.5	159.9	-57	-177.6	0	0	0	104.3
971	A	29	Very low	27.9	Very low	81 Å²	81	147.2 Å²	147.2	67%	0.669	79%	0.79	S	S	*	*				70.8	91.7	59.3	0	0	0	0	0	113.7
972	N	27	Very low	27.8	Very low	170 Å²	170	150 Å²	150	91%	0.909	79%	0.789	S	S	*	*			trans	-157.9	162.2	132.9	-126.7	-32.5	0	0	0	114
973	Q	28	Very low	27.8	Very low	173 Å²	173	154.4 Å²	154.4	81%	0.808	79%	0.785	S	S	*	*			trans	-104.8	154.6	177.7	-57.4	169.7	-9	0	0	110.6
974	R	26.8	Very low	29	Very low	227 Å²	227	156.4 Å²	156.4	86%	0.857	79%	0.785	S	S	*	*				179	150.9	121	-102	172.9	176	179.9	-1.9	113.6
975	N	27.1	Very low	29.6	Very low	132 Å²	132	153.7 Å²	153.7	71%	0.706	78%	0.778	S	S	*	*			trans	58.1	129	156.6	-62.6	19.1	0	0	0	117.7
976	S	27.7	Very low	29.7	Very low	89 Å²	89	149.9 Å²	149.9	62%	0.622	78%	0.776	S	S	*	*			cis	66.6	134.7	46.1	85.9	0	0	0	0	112.6
977	Q	27.9	Very low	29.8	Very low	169 Å²	169	145.7 Å²	145.7	79%	0.79	76%	0.764	S	S	*	*			cis	-163.7	150.9	1	-126.7	167.2	1	0	0	106.5
978	H	30.5	Very low	29.8	Very low	188 Å²	188	148 Å²	148	87%	0.87	77%	0.772	S	S	*	*			trans	179.2	141.7	130.5	-105.8	-81.1	0	0	0	115.3
979	H	30.2	Very low	29.8	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.787	76%	0.764	S	S	*	*			trans	-65.3	170.5	165	-85.4	-44.4	0	0	0	113.5
980	S	28.3	Very low	29.9	Very low	71 Å²	71	142.6 Å²	142.6	50%	0.497	76%	0.762	S	S	.	*			cis	-169.8	155.3	2	-116.3	0	0	0	0	112.6
981	Q	28.9	Very low	30	Very low	148 Å²	148	144.5 Å²	144.5	69%	0.692	76%	0.759	S	S	*	*			trans	59	159.7	140.2	-63.7	179.4	69.3	0	0	120.1
982	R	26.4	Very low	30.6	Very low	215 Å²	215	146.9 Å²	146.9	81%	0.811	77%	0.768	S	S	*	*			cis	-156.2	173.6	-20.3	-116.1	174.7	175.3	164.7	-12.6	110.3
983	H	28	Very low	30.7	Very low	180 Å²	180	146.2 Å²	146.2	83%	0.833	76%	0.757	S	S	*	*			trans	-83.7	-162.5	-177.6	-50.5	-83.3	0	0	0	114.3
984	P	51.2	Low	30.9	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	76%	0.756	S	S	*	*				-121.4	-158.3	-80.5	37.1	-16.8	0	0	0	111.5
985	P	40.4	Very low	31.2	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	75%	0.753	S	S	*	*				-152.4	-171.9	92.9	40.8	-21.1	0	0	0	116.7
986	S	28	Very low	31.3	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	75%	0.754	S	S	*	*			trans	-97.4	-173.4	177.1	57.2	0	0	0	0	112.3
987	A	29	Very low	31.3	Very low	73 Å²	73	141.1 Å²	141.1	60%	0.603	76%	0.759	S	S	*	*			cis	-163	173.3	13.3	0	0	0	0	0	112.1
988	N	28.5	Very low	31.4	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	75%	0.754	S	S	*	*			trans	55.9	151.8	144.4	-71.8	0.7	0	0	0	121.4
989	S	28.2	Very low	31.3	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	75%	0.745	S	S	*	*			cis	-166.4	169.6	-1.5	40.7	0	0	0	0	114.2
990	T	29.7	Very low	31.3	Very low	137 Å²	137	136 Å²	136	84%	0.84	74%	0.743	S	S	*	*			trans	78.5	150.8	149.6	32.6	0	0	0	0	122.8
991	R	29.8	Very low	31.2	Very low	202 Å²	202	137 Å²	137	76%	0.762	75%	0.75	S	S	*	*			trans	-99.3	173.6	178.8	-60.3	172.6	167.8	171.2	-8.2	111.3
992	P	41	Very low	31.2	Very low	132 Å²	132	140.9 Å²	140.9	86%	0.857	76%	0.758	S	S	*	*				-138.5	-157.9	95.5	34.5	-17.5	0	0	0	114.9
993	F	29.6	Very low	31.3	Very low	156 Å²	156	138.5 Å²	138.5	68%	0.684	76%	0.757	S	S	*	*			trans	-121.2	166.2	-164.7	-88.9	-91.7	0	0	0	114.9
994	L	30.9	Very low	31.4	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	75%	0.753	S	S	*	*			trans	-3.6	154.2	153.3	-67.8	167.4	0	0	0	120.7
995	P	34.5	Very low	30.4	Very low	123 Å²	123	141 Å²	141	80%	0.799	76%	0.755	S	S	*	*				-134.9	174.1	107.5	40.3	-32.8	0	0	0	116
996	S	27.6	Very low	29.8	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	75%	0.753	S	S	*	*			trans	-98.8	-171.5	167.3	51.5	0	0	0	0	110.2
997	N	29.5	Very low	29.7	Very low	137 Å²	137	137 Å²	137	73%	0.733	75%	0.754	S	S	*	*			cis	-173.2	-173.4	24.6	-155.5	-0.5	0	0	0	112
998	I	29.8	Very low	29.6	Very low	131 Å²	131	139.2 Å²	139.2	67%	0.672	77%	0.766	S	S	*	*			trans	86.4	116.1	149.3	-67.7	156.9	0	0	0	122
999	N	28.4	Very low	29.6	Very low	129 Å²	129	142.7 Å²	142.7	69%	0.69	77%	0.767	S	S	*	*			trans	42.2	165.3	130.1	-59.7	-5.3	0	0	0	123.7
1000	Q	29.6	Very low	29.5	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.752	78%	0.779	S	S	*	*			cis	-162.7	135.1	-1.2	-118.2	161	17.8	0	0	108.5
1001	S	27.2	Very low	29.4	Very low	92 Å²	92	149.8 Å²	149.8	64%	0.643	78%	0.78	S	S	*	*				83.5	142.5	86.5	86.5	0	0	0	0	120.2
1002	R	28.4	Very low	29.8	Very low	228 Å²	228	144.9 Å²	144.9	86%	0.86	77%	0.774	S	S	*	*			trans	85.8	139.1	171.4	-61	179.2	174.9	179.9	-2.4	116.6
1003	Q	29.1	Very low	29.1	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	77%	0.769	S	S	*	*			cis	80.7	137.5	40.7	-75	-171.4	-8.3	0	0	113.9
1004	R	29.8	Very low	29	Very low	202 Å²	202	144.4 Å²	144.4	76%	0.762	77%	0.771	S	S	*	*			cis	-163.1	-174.8	6.7	-141.8	-176.8	-174.3	-177.9	3	113
1005	D	29.6	Very low	28.8	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	77%	0.772	S	S	*	*			trans	74.1	152.5	159.5	-50.5	-32	0	0	0	119.3
1006	G	27.5	Very low	28.5	Very low	76 Å²	76	144.4 Å²	144.4	78%	0.784	77%	0.773	S	S	*	*			cis	-163.5	179.2	0.1	0	0	0	0	0	113.5
1007	G	25.6	Very low	28.6	Very low	80 Å²	80	147.3 Å²	147.3	83%	0.825	78%	0.78	S	S	*	*			trans	-87	-173.2	-176.9	0	0	0	0	0	115.2
1008	S	27.7	Very low	28.5	Very low	121 Å²	121	152.1 Å²	152.1	85%	0.846	79%	0.788	S	S	*	*			cis	-164.9	-155	2.5	42.5	0	0	0	0	108
1009	R	27.4	Very low	28.9	Very low	229 Å²	229	151.9 Å²	151.9	86%	0.864	79%	0.792	S	S	*	*			cis	-174.5	122	13.6	-174.4	-172.4	-171.2	179.9	3.1	111.4
1010	Q	27.6	Very low	29.2	Very low	199 Å²	199	151.2 Å²	151.2	93%	0.93	80%	0.795	S	S	*	*			trans	-168.5	158.6	160.4	-116.3	168.5	10.5	0	0	114.6
1011	Q	26.7	Very low	29.1	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	80%	0.795	S	S	*	*			trans	-164.5	169.9	178	-108.1	-170.2	-17.3	0	0	107.7
1012	P	39.3	Very low	29.2	Very low	99 Å²	99	154.6 Å²	154.6	64%	0.643	81%	0.805	S	S	*	*			cis	-124.7	-153.3	10.1	43.7	-27.4	0	0	0	113.6
1013	D	25.7	Very low	29	Very low	139 Å²	139	147.2 Å²	147.2	74%	0.743	80%	0.8	S	S	*	*			trans	68.6	148.3	167.9	-70.4	2.3	0	0	0	118.6
1014	L	27.9	Very low	28.9	Very low	140 Å²	140	144.3 Å²	144.3	73%	0.733	80%	0.804	S	S	*	*			cis	-159.3	171.8	-31.2	-124.1	174.2	0	0	0	108.3
1015	D	26.6	Very low	28.7	Very low	152 Å²	152	140 Å²	140	81%	0.813	81%	0.811	S	S	*	*			trans	62.6	153.2	177.4	-76.9	-27.9	0	0	0	117.5
1016	C	26.9	Very low	28.5	Very low	121 Å²	121	136.8 Å²	136.8	82%	0.818	81%	0.813	S	S	*	*			cis	-130.1	133.2	8.3	50.8	0	0	0	0	113.1
1017	L	30.8	Very low	28.5	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	82%	0.818	S	S	*	*			trans	-150.1	86	168.3	-136.5	-172.8	0	0	0	110.3
1018	R	26.5	Very low	28.6	Very low	239 Å²	239	139.5 Å²	139.5	90%	0.902	82%	0.821	S	S	*	*			trans	-169.5	155.6	156.6	-113.3	160.5	-172.1	-169	-0	116.8
1019	V	38.7	Very low	28.5	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	82%	0.824	S	S	*	*			trans	-66.3	158	164.1	-87.2	0	0	0	0	112.7
1020	P	34.6	Very low	28.6	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	82%	0.822	S	S	*	*				-141	168.7	121.6	27.7	-9.4	0	0	0	113
1021	D	28.1	Very low	28.9	Very low	140 Å²	140	133 Å²	133	75%	0.749	82%	0.822	S	S	*	*			cis	-161.8	-170.8	-33.9	-132.4	-50.7	0	0	0	110.4
1022	Q	28.1	Very low	30	Very low	183 Å²	183	129.8 Å²	129.8	86%	0.855	82%	0.817	S	S	*	*			trans	-66.8	157.7	170	-52.7	173.9	5.3	0	0	114
1023	G	25.4	Very low	29.5	Very low	74 Å²	74	131.2 Å²	131.2	76%	0.763	82%	0.823	S	S	*	*			trans	120.2	131.5	130.6	0	0	0	0	0	120.5
1024	A	26.2	Very low	29.9	Very low	105 Å²	105	129.3 Å²	129.3	87%	0.868	82%	0.821	S	S	*	*			trans	61.5	119.7	143.8	0	0	0	0	0	123
1025	A	26.9	Very low	30.1	Very low	110 Å²	110	130.6 Å²	130.6	91%	0.909	83%	0.829	S	S	*	*			trans	10.9	138.5	138.6	0	0	0	0	0	121.9
1026	G	25.4	Very low	30.2	Very low	79 Å²	79	126.9 Å²	126.9	81%	0.814	83%	0.827	S	S	*	*			trans	174.8	74.4	165.1	0	0	0	0	0	118.5
1027	S	26.7	Very low	30.3	Very low	128 Å²	128	124.9 Å²	124.9	90%	0.895	83%	0.826	S	S	*	*			trans	7.7	115.4	154.2	-55.9	0	0	0	0	122.6
1028	G	27.1	Very low	30.4	Very low	85 Å²	85	126.4 Å²	126.4	88%	0.876	83%	0.831	S	S	*	*				89.7	159.9	109.7	0	0	0	0	0	120.6
1029	G	27	Very low	30.7	Very low	88 Å²	88	118.6 Å²	118.6	91%	0.907	82%	0.818	S	S	*	*			trans	149.2	46.2	170.2	0	0	0	0	0	118.7
1030	G	27.6	Very low	30.3	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	82%	0.823	S	S	*	*			trans	-147.4	117.6	175.7	0	0	0	0	0	113.4
1031	R	33.9	Very low	30.1	Very low	245 Å²	245	127.6 Å²	127.6	93%	0.925	83%	0.831	S	S	*	*			trans	-141.4	169.2	-176.7	-106.7	-174.6	173.7	-173.3	-0.3	109
1032	P	51.1	Low	31.3	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	83%	0.829	S	S	*	*			cis	-108.5	-148.3	-7.6	19.9	5.2	0	0	0	109.5
1033	T	29.3	Very low	31.4	Very low	128 Å²	128	123 Å²	123	79%	0.785	83%	0.827	S	S	*	*			cis	-144.7	-173.8	15.1	46.6	0	0	0	0	113.1
1034	S	33	Very low	31.6	Very low	100 Å²	100	124.3 Å²	124.3	70%	0.699	83%	0.831	S	S	*	*			trans	-74.6	169.7	177.1	56.5	0	0	0	0	115.2
1035	N	32.7	Very low	31.9	Very low	167 Å²	167	128.2 Å²	128.2	89%	0.893	83%	0.831	S	S	*	*			cis	-162.7	160.6	18.2	-144.2	1.5	0	0	0	113.5
1036	G	28.5	Very low	31.9	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	83%	0.829	S	S	*	*			trans	145.4	137.4	164.4	0	0	0	0	0	117.1
1037	G	29.8	Very low	32.7	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	82%	0.824	S	S	*	*			trans	-101.3	-169.9	175.7	0	0	0	0	0	113.7
1038	M	32.4	Very low	33.8	Very low	194 Å²	194	135.2 Å²	135.2	96%	0.956	82%	0.819	S	S	*	*			cis	-165.9	175	15.4	-101.1	-162.8	-178.6	0	0	108.7
1039	A	31.3	Very low	34.4	Very low	75 Å²	75	137.4 Å²	137.4	62%	0.62	82%	0.818	S	S	*	*			cis	-170.5	-157.7	-13.6	0	0	0	0	0	110.2
1040	H	31.6	Very low	34.6	Very low	186 Å²	186	137.3 Å²	137.3	86%	0.861	82%	0.817	S	S	*	*			trans	73.7	76.5	162.6	-76.9	-76	0	0	0	123.7
1041	R	29.8	Very low	34.8	Very low	244 Å²	244	137.6 Å²	137.6	92%	0.921	82%	0.82	S	S	*	*				22.4	160.9	123	-78	-172	167.9	179.6	-3.3	125.3
1042	P	54.5	Low	34.7	Very low	110 Å²	110	129.9 Å²	129.9	71%	0.714	82%	0.817	S	S	*	*			trans	-137	-173.9	-157.2	45	-26.1	0	0	0	118.6
1043	S	29.3	Very low	34.2	Very low	117 Å²	117	136 Å²	136	82%	0.818	83%	0.825	S	S	*	*			trans	82.8	134.8	144.1	73.4	0	0	0	0	123.1
1044	A	30.6	Very low	34.6	Very low	101 Å²	101	135.8 Å²	135.8	84%	0.835	83%	0.826	S	S	*	*			trans	-162.8	-172.8	157.2	0	0	0	0	0	110.4
1045	H	31	Very low	34.5	Very low	188 Å²	188	140.8 Å²	140.8	87%	0.87	84%	0.835	S	S	*	*			trans	-142.1	145.5	-157	-109.7	25.2	0	0	0	117.7
1046	R	28.6	Very low	35.3	Very low	233 Å²	233	139 Å²	139	88%	0.879	83%	0.832	S	S	*	*			trans	79.4	-175.6	146	-124.1	-177	-167.8	-171.3	3.9	118.7
1047	P	42.2	Very low	35.6	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	83%	0.832	S	S	*	*				-118	-174.7	-115.2	45.9	-30.1	0	0	0	115.1
1048	P	49.7	Very low	36.1	Very low	122 Å²	122	142 Å²	142	79%	0.792	83%	0.831	S	S	*	*			trans	-103.5	166.2	-159.7	40.2	-36.3	0	0	0	116.8
1049	P	38.4	Very low	36.5	Very low	132 Å²	132	142 Å²	142	86%	0.857	83%	0.826	S	S	*	*			trans	-119.7	179.4	143.6	38.4	-27.7	0	0	0	111.8
1050	G	31.8	Very low	37.2	Very low	85 Å²	85	144.2 Å²	144.2	88%	0.876	83%	0.834	S	S	*	*			trans	-158.1	176.3	177.1	0	0	0	0	0	114.9
1051	G	31.5	Very low	37.9	Very low	86 Å²	86	144.6 Å²	144.6	89%	0.887	83%	0.833	S	S	*	*			trans	158.1	151.5	172.8	0	0	0	0	0	115.2
1052	G	30.8	Very low	39	Very low	84 Å²	84	138.7 Å²	138.7	87%	0.866	83%	0.827	S	S	*	*			trans	104.1	136	166.5	0	0	0	0	0	117.1
1053	R	40.7	Very low	39.3	Very low	244 Å²	244	142.8 Å²	142.8	92%	0.921	84%	0.836	S	S	*	*			trans	-118.7	156.1	171.4	-70.9	176.7	168.8	171.5	-4.2	109.4
1054	P	39.3	Very low	41.3	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	82%	0.818	S	S	*	*				-147.5	151.2	105.5	37.2	-22.3	0	0	0	116.6
1055	K	30.5	Very low	43.9	Very low	205 Å²	205	139.2 Å²	139.2	89%	0.891	80%	0.801	S	S	*	*			trans	39.7	146.7	157.1	-73.2	-177.7	176.3	178.1	0	122.3
1056	P	48.4	Very low	46.7	Very low	129 Å²	129	134 Å²	134	84%	0.838	78%	0.777	S	S	*	*			trans	-91.1	152.5	-171.3	36.7	-36.3	0	0	0	115.2
1057	A	35.8	Very low	49.8	Very low	91 Å²	91	122.9 Å²	122.9	75%	0.752	74%	0.735	S	S	*	*			trans	-116.7	172.9	163.9	0	0	0	0	0	109.3
1058	P	40	Very low	52.3	Low	125 Å²	125	121.4 Å²	121.4	81%	0.812	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-71.9	150.8	-142.2	28.1	-36.7	0	0	0	115.9
1059	K	41.6	Very low	54.4	Low	195 Å²	195	115.6 Å²	115.6	85%	0.848	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-61.2	142.7	167.8	-69.1	-178.1	176.4	-178.4	0	110.4
1060	P	44.5	Very low	56.8	Low	121 Å²	121	113.3 Å²	113.3	79%	0.786	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-61.5	147.3	165.6	28.3	-34.1	0	0	0	110.3
1061	K	46.2	Very low	59.5	Low	194 Å²	194	116.2 Å²	116.2	84%	0.843	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-67.6	141.9	172.1	-68.8	179.7	178.6	177.4	0	109.4
1062	P	54.1	Low	62.3	Low	121 Å²	121	114.5 Å²	114.5	79%	0.786	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-63.1	139.4	171.5	28.5	-34.1	0	0	0	110	V1064	P1062-V1064 PolarHBondContact O-N 3.16Å
1063	Q	60	Low	65.3	Low	195 Å²	195	111.5 Å²	111.5	91%	0.911	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-71.4	119	166.2	-72.4	173.6	-59	0	0	108.1
1064	V	71.2	Confident	67.8	Low	71 Å²	71	105.8 Å²	105.8	43%	0.43	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-73.8	140.4	162.6	-106.3	0	0	0	0	108.1	P1062 D1090	P1062-V1064 PolarHBondContact O-N 3.16Å; V1064-D1090 HydrophobicContact CG2-CB 4.15Å
1065	P	84.8	Confident	70.1	Confident	73 Å²	73	101.7 Å²	101.7	47%	0.474	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-61.5	142.1	173.7	24.7	-31.1	0	0	0	110	I1091	P1065-I1091 HydrophobicContact CG-CB 4.3Å; P1065-I1091 WeakPolarHBondContact O-CB 3.01Å; P1065-I1091 PolarHBondContact O-N 2.96Å
1066	Q	90.7	Very high	72.6	Confident	78 Å²	78	99.9 Å²	99.9	36%	0.364	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	159.9	-176.2	-67.4	-171.4	-37.8	0	0	111.4	V1088 I1089 D1090 K1118 I1119	Q1066-V1088 HydrophobicContact CB-CG1 4.08Å; Q1066-V1088 HydrophobicContact CG-CG1 4.39Å; Q1066-I1089 WeakPolarHBondContact CA-O 3.37Å; Q1066-D1090 PolarHBondContact NE2-OD1 3.45Å; Q1066-K1118 WeakPolarHBondContact O-CA 3.45Å; Q1066-I1119 HydrophobicContact CB-CD1 3.94Å; Q1066-I1119 HydrophobicContact CB-CG1 3.74Å; Q1066-I1119 PolarHBondContact O-N 3.31Å; Q1066-I1119 VanDerWaalsContact O-N 3.08Å
1067	C	93.2	Very high	74.3	Confident	0 Å²	0	99 Å²	99	0%	0	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.6	167.8	56.2	0	0	0	0	111.3	V1088 I1089 I1091 V1116 T1117	C1067-V1088 CarbonylContact O-C 3.38Å; C1067-V1088 WeakPolarHBondContact O-CA 3.47Å; C1067-I1089 PolarHBondContact N-O 3.19Å; C1067-I1089 PolarHBondContact O-N 3.16Å; C1067-I1091 HydrophobicContact CB-CD1 4.01Å; C1067-I1091 HydrophobicContact CB-CG1 4.25Å; C1067-V1116 HydrophobicContact CB-CB 3.97Å; C1067-V1116 HydrophobicContact CB-CG2 3.86Å; C1067-T1117 CarbonylContact C-O 3.53Å; C1067-T1117 WeakPolarHBondContact CA-O 3.27Å; C1067-T1117 WeakPolarHBondContact CB-O 3.4Å
1068	K	94.8	Very high	76.4	Confident	76 Å²	76	101.9 Å²	101.9	33%	0.33	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.6	175.9	-164.8	-174.6	-173.2	-150	0	110	D1086 D1087 V1088 V1116 T1117 I1119	K1068-D1086 WeakPolarHBondContact CE-OD1 2.99Å; K1068-D1086 IonicContact NZ-OD1 3.54Å; K1068-D1086 PolarHBondContact NZ-OD1 2.63Å; K1068-D1087 CarbonylContact C-O 3.57Å; K1068-D1087 WeakPolarHBondContact CA-O 3.46Å; K1068-V1088 HydrophobicContact CB-CG2 4.47Å; K1068-V1088 HydrophobicContact CG-CG2 4.17Å; K1068-V1116 CarbonylContact O-C 3.59Å; K1068-V1116 WeakPolarHBondContact O-CA 3.42Å; K1068-T1117 HydrophobicContact CB-CG2 4.43Å; K1068-T1117 PolarHBondContact N-O 3.21Å; K1068-T1117 PolarHBondContact O-N 2.79Å; K1068-I1119 HydrophobicContact CB-CG2 3.87Å
1069	A	93.8	Very high	78.7	Confident	1 Å²	1	100.4 Å²	100.4	1%	0.008	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.7	178	0	0	0	0	0	112.4	F1083 N1084 D1086 D1087	A1069-F1083 HydrophobicContact CB-CD2 3.45Å; A1069-F1083 VanDerWaalsContact CB-CD2 3.45Å; A1069-F1083 HydrophobicContact CB-CE2 3.75Å; A1069-N1084 WeakPolarHBondContact CB-O 3.23Å; A1069-D1086 PolarHBondContact O-N 3.12Å; A1069-D1087 PolarHBondContact N-O 2.85Å
1070	L	88.8	Confident	81.1	Confident	84 Å²	84	93 Å²	93	44%	0.44	49%	0.494	S	S	.	.	S	Bend	trans	-89	-28	173	-62.7	176.6	0	0	0	111.7	T1085 Y1115 T1117	L1070-T1085 WeakPolarHBondContact O-CG2 3.27Å; L1070-Y1115 PolarHBondContact N-O 3.34Å; L1070-T1117 HydrophobicContact CD2-CG2 3.83Å; L1070-T1117 HydrophobicContact CG-CG2 4.26Å
1071	Y	89	Confident	83.4	Confident	146 Å²	146	87.6 Å²	87.6	57%	0.573	46%	0.459	S	S	*	.	S	Bend	trans	-140.1	147	179	-52.6	-70	0	0	0	109.4	F1083 Y1115	Y1071-F1083 WeakPolarHBondContact O-CE2 3.35Å; Y1071-Y1115 PolarHBondContact N-O 3.05Å
1072	A	90.8	Very high	85.7	Confident	50 Å²	50	81.1 Å²	81.1	41%	0.413	44%	0.438	S	S	.	.			trans	-65.8	149.5	170.4	0	0	0	0	0	111.3	F1083 T1085	A1072-F1083 WeakPolarHBondContact CA-O 3.39Å; A1072-T1085 PolarHBondContact N-OG1 2.84Å; A1072-T1085 VanDerWaalsContact N-OG1 3.12Å
1073	Y	93.4	Very high	87.6	Confident	20 Å²	20	75.5 Å²	75.5	8%	0.078	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-143.8	130.7	178.9	179.4	-99.9	0	0	0	109.7	E1080 S1082 F1083 W1099 P1112 Y1115	Y1073-E1080 VanDerWaalsContact OH-CD 3.25Å; Y1073-E1080 PolarHBondContact OH-OE1 2.83Å; Y1073-E1080 PolarHBondContact OH-OE2 3.3Å; Y1073-E1080 VanDerWaalsContact OH-OE2 3.06Å; Y1073-S1082 CarbonylContact O-C 3.59Å; Y1073-S1082 WeakPolarHBondContact O-CA 3.32Å; Y1073-F1083 HydrophobicContact CD1-CD1 4.39Å; Y1073-F1083 AromaticContact CD1-CE1 3.71Å; Y1073-F1083 HydrophobicContact CD1-CE1 3.71Å; Y1073-F1083 HydrophobicContact CD1-CZ 4.27Å; Y1073-F1083 AromaticContact CG-CE1 3.97Å; Y1073-F1083 HydrophobicContact CG-CE1 3.97Å; Y1073-F1083 HydrophobicContact CG-CZ 4.06Å; Y1073-F1083 PolarHBondContact N-O 2.66Å; Y1073-F1083 PolarHBondContact O-N 3.21Å; Y1073-F1083 VanDerWaalsContact O-O 3.14Å; Y1073-W1099 WeakPolarHBondContact OH-CH2 3.34Å; Y1073-P1112 HydrophobicContact CD2-CG 3.79Å; Y1073-P1112 HydrophobicContact CE2-CG 3.82Å; Y1073-P1112 HydrophobicContact CG-CG 4.18Å; Y1073-Y1115 HydrophobicContact CD2-CD1 4.27Å; Y1073-Y1115 HydrophobicContact CD2-CE1 4.15Å
1074	D	92.2	Very high	89.2	Confident	125 Å²	125	70.9 Å²	70.9	67%	0.668	38%	0.383	S	S	*	.			trans	-106.6	124.3	173	-75.6	-56.1	0	0	0	109.5	Q1076	D1074-Q1076 PolarHBondContact O-N 3.15Å
1075	A	87.7	Confident	90.1	Very high	35 Å²	35	70.8 Å²	70.8	29%	0.289	38%	0.382	S	S	.	.			trans	-55.8	130	173.5	0	0	0	0	0	111.4	E1080 S1082	A1075-E1080 HydrophobicContact CB-CB 3.59Å; A1075-S1082 WeakPolarHBondContact CB-OG 3.44Å; A1075-S1082 PolarHBondContact N-OG 3.48Å
1076	Q	83.7	Confident	90.4	Very high	168 Å²	168	72 Å²	72	79%	0.785	39%	0.385	S	S	*	.	S	Bend	trans	-96	-31.1	176.3	-55.1	-170.3	13	0	0	111	D1074 E1080	D1074-Q1076 PolarHBondContact O-N 3.15Å; Q1076-E1080 WeakPolarHBondContact CA-OE2 3.27Å; Q1076-E1080 PolarHBondContact N-OE2 3.18Å
1077	D	84.6	Confident	90.6	Very high	111 Å²	111	69.4 Å²	69.4	59%	0.594	37%	0.374	S	S	*	.	S	Bend	trans	-117.5	162	176	-96.5	-55.3	0	0	0	113.7	D1079 E1080	D1077-D1079 VanDerWaalsContact C-N 3.28Å; D1077-D1079 PolarHBondContact O-N 3.4Å; D1077-E1080 HydrophobicContact CB-CG 4.49Å; D1077-E1080 PolarHBondContact N-OE2 3.16Å; D1077-E1080 PolarHBondContact O-N 3.41Å
1078	T	80.4	Confident	90.6	Very high	150 Å²	150	72.2 Å²	72.2	92%	0.92	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.2	-167.3	55.7	0	0	0	0	116
1079	D	87.5	Confident	90.6	Very high	94 Å²	94	68.6 Å²	68.6	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.6	176.1	64	-45.5	0	0	0	113.4	D1077 G1109 L1110	D1077-D1079 VanDerWaalsContact C-N 3.28Å; D1077-D1079 PolarHBondContact O-N 3.4Å; D1079-G1109 CarbonylContact O-C 3.57Å; D1079-G1109 WeakPolarHBondContact O-CA 3.42Å; D1079-L1110 PolarHBondContact O-N 2.67Å
1080	E	92.2	Very high	90.6	Very high	39 Å²	39	70.8 Å²	70.8	18%	0.182	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-83.6	163	171.7	-67.8	178.8	154.1	0	0	112.5	Y1073 A1075 Q1076 D1077 W1099 L1110	Y1073-E1080 VanDerWaalsContact OH-CD 3.25Å; Y1073-E1080 PolarHBondContact OH-OE1 2.83Å; Y1073-E1080 PolarHBondContact OH-OE2 3.3Å; Y1073-E1080 VanDerWaalsContact OH-OE2 3.06Å; A1075-E1080 HydrophobicContact CB-CB 3.59Å; Q1076-E1080 WeakPolarHBondContact CA-OE2 3.27Å; Q1076-E1080 PolarHBondContact N-OE2 3.18Å; D1077-E1080 HydrophobicContact CB-CG 4.49Å; D1077-E1080 PolarHBondContact N-OE2 3.16Å; D1077-E1080 PolarHBondContact O-N 3.41Å; E1080-W1099 HydrophobicContact CG-CZ3 4.25Å; E1080-W1099 WeakPolarHBondContact OE1-CH2 3.28Å; E1080-W1099 WeakPolarHBondContact OE1-CZ3 3.28Å; E1080-L1110 CarbonylContact C-O 3.38Å; E1080-L1110 VanDerWaalsContact CA-O 3.3Å; E1080-L1110 WeakPolarHBondContact CA-O 3.22Å; E1080-L1110 HydrophobicContact CG-CB 4.39Å
1081	L	93.3	Very high	90.8	Very high	8 Å²	8	67 Å²	67	4%	0.042	37%	0.367	C	S	.	.			trans	-119.6	110.6	-175.2	-174.9	67.6	0	0	0	110.4	F1083 I1089 L1104 K1107 L1110	L1081-F1083 WeakPolarHBondContact O-CD1 3.34Å; L1081-F1083 WeakPolarHBondContact O-CE1 3.43Å; L1081-I1089 HydrophobicContact CD2-CG2 4.08Å; L1081-L1104 HydrophobicContact CD1-CB 4.32Å; L1081-L1104 HydrophobicContact CD2-CB 3.96Å; L1081-L1104 HydrophobicContact CG-CB 4.39Å; L1081-K1107 HydrophobicContact CD1-CB 3.9Å; L1081-L1110 PolarHBondContact N-O 2.9Å
1082	S	93.5	Very high	90.8	Very high	58 Å²	58	63.4 Å²	63.4	41%	0.406	36%	0.356	S	S	.	.			trans	-72.4	142.9	170.3	-50	0	0	0	0	112.1	Y1073 A1075	Y1073-S1082 CarbonylContact O-C 3.59Å; Y1073-S1082 WeakPolarHBondContact O-CA 3.32Å; A1075-S1082 WeakPolarHBondContact CB-OG 3.44Å; A1075-S1082 PolarHBondContact N-OG 3.48Å
1083	F	95	Very high	90.8	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.018	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-154.4	157	176.2	54.8	-88.1	0	0	0	111.5	A1069 Y1071 A1072 Y1073 L1081 D1087 I1089 L1104 F1111 V1116	A1069-F1083 HydrophobicContact CB-CD2 3.45Å; A1069-F1083 VanDerWaalsContact CB-CD2 3.45Å; A1069-F1083 HydrophobicContact CB-CE2 3.75Å; Y1071-F1083 WeakPolarHBondContact O-CE2 3.35Å; A1072-F1083 WeakPolarHBondContact CA-O 3.39Å; Y1073-F1083 HydrophobicContact CD1-CD1 4.39Å; Y1073-F1083 AromaticContact CD1-CE1 3.71Å; Y1073-F1083 HydrophobicContact CD1-CE1 3.71Å; Y1073-F1083 HydrophobicContact CD1-CZ 4.27Å; Y1073-F1083 AromaticContact CG-CE1 3.97Å; Y1073-F1083 HydrophobicContact CG-CE1 3.97Å; Y1073-F1083 HydrophobicContact CG-CZ 4.06Å; Y1073-F1083 PolarHBondContact N-O 2.66Å; Y1073-F1083 PolarHBondContact O-N 3.21Å; Y1073-F1083 VanDerWaalsContact O-O 3.14Å; L1081-F1083 WeakPolarHBondContact O-CD1 3.34Å; L1081-F1083 WeakPolarHBondContact O-CE1 3.43Å; F1083-D1087 HydrophobicContact CB-CB 4.2Å; F1083-I1089 HydrophobicContact CB-CD1 4.11Å; F1083-I1089 HydrophobicContact CD1-CD1 3.75Å; F1083-I1089 HydrophobicContact CD2-CD1 4.09Å; F1083-I1089 HydrophobicContact CE1-CD1 4.2Å; F1083-I1089 HydrophobicContact CE2-CD1 4.45Å; F1083-I1089 HydrophobicContact CG-CD1 3.71Å; F1083-L1104 HydrophobicContact CB-CD2 3.42Å; F1083-L1104 VanDerWaalsContact CB-CD2 3.42Å; F1083-F1111 HydrophobicContact CD1-CB 4.42Å; F1083-F1111 HydrophobicContact CE1-CB 3.59Å; F1083-F1111 HydrophobicContact CE1-CD2 4.27Å; F1083-F1111 HydrophobicContact CE1-CG 4.27Å; F1083-F1111 HydrophobicContact CZ-CB 4.31Å; F1083-F1111 HydrophobicContact CZ-CD2 4.36Å; F1083-V1116 HydrophobicContact CE2-CG1 4.25Å; F1083-V1116 HydrophobicContact CZ-CG1 4.35Å
1084	N	93.5	Very high	90.6	Very high	97 Å²	97	69.5 Å²	69.5	52%	0.519	38%	0.376	S	S	.	.			trans	-97.3	164.6	177.1	-62.6	-94.2	0	0	0	110.5	A1069 D1086 D1087	A1069-N1084 WeakPolarHBondContact CB-O 3.23Å; N1084-D1086 PolarHBondContact O-N 3.33Å; N1084-D1087 PolarHBondContact N-OD2 3.39Å; N1084-D1087 WeakPolarHBondContact O-CB 3.41Å; N1084-D1087 PolarHBondContact O-N 3.37Å
1085	T	90.3	Very high	90.2	Very high	69 Å²	69	66.3 Å²	66.3	42%	0.423	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	142.8	165	-53.6	0	0	0	0	110.2	L1070 A1072 D1087	L1070-T1085 WeakPolarHBondContact O-CG2 3.27Å; A1072-T1085 PolarHBondContact N-OG1 2.84Å; A1072-T1085 VanDerWaalsContact N-OG1 3.12Å; T1085-D1087 PolarHBondContact O-N 2.36Å
1086	D	90.8	Very high	89.7	Confident	100 Å²	100	70 Å²	70	54%	0.535	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-3.6	-176.1	-61.8	-60	0	0	0	117.7	K1068 A1069 N1084	K1068-D1086 WeakPolarHBondContact CE-OD1 2.99Å; K1068-D1086 IonicContact NZ-OD1 3.54Å; K1068-D1086 PolarHBondContact NZ-OD1 2.63Å; A1069-D1086 PolarHBondContact O-N 3.12Å; N1084-D1086 PolarHBondContact O-N 3.33Å
1087	D	93.9	Very high	89.6	Confident	22 Å²	22	65.9 Å²	65.9	12%	0.118	38%	0.378	C	S	.	.			trans	-59.9	143.8	169.5	-94.2	-53.2	0	0	0	111.4	K1068 A1069 F1083 N1084 T1085 L1104 R1105	K1068-D1087 CarbonylContact C-O 3.57Å; K1068-D1087 WeakPolarHBondContact CA-O 3.46Å; A1069-D1087 PolarHBondContact N-O 2.85Å; F1083-D1087 HydrophobicContact CB-CB 4.2Å; N1084-D1087 PolarHBondContact N-OD2 3.39Å; N1084-D1087 WeakPolarHBondContact O-CB 3.41Å; N1084-D1087 PolarHBondContact O-N 3.37Å; T1085-D1087 PolarHBondContact O-N 2.36Å; D1087-L1104 HydrophobicContact CB-CD1 4.17Å; D1087-L1104 HydrophobicContact CB-CD2 3.97Å; D1087-R1105 VanDerWaalsContact CG-NH2 3.26Å; D1087-R1105 IonicContact OD1-CZ 2.8Å; D1087-R1105 IonicContact OD1-NE 2.8Å; D1087-R1105 PolarHBondContact OD1-NE 2.89Å; D1087-R1105 IonicContact OD1-NH2 3.14Å; D1087-R1105 PolarHBondContact OD1-NH2 3.36Å; D1087-R1105 IonicContact OD2-CZ 2.78Å; D1087-R1105 IonicContact OD2-NH2 2.78Å; D1087-R1105 PolarHBondContact OD2-NH2 2.73Å
1088	V	93.1	Very high	89.6	Confident	59 Å²	59	61.3 Å²	61.3	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.4	176.5	178	0	0	0	0	110.1	Q1066 C1067 K1068 L1104 I1119	Q1066-V1088 HydrophobicContact CB-CG1 4.08Å; Q1066-V1088 HydrophobicContact CG-CG1 4.39Å; C1067-V1088 CarbonylContact O-C 3.38Å; C1067-V1088 WeakPolarHBondContact O-CA 3.47Å; K1068-V1088 HydrophobicContact CB-CG2 4.47Å; K1068-V1088 HydrophobicContact CG-CG2 4.17Å; V1088-L1104 WeakPolarHBondContact O-CD1 3.46Å; V1088-I1119 HydrophobicContact CG1-CD1 3.79Å; V1088-I1119 HydrophobicContact CG2-CD1 4.25Å
1089	I	94.8	Very high	90.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.8	-172.2	-50.7	174.6	0	0	0	108.9	Q1066 C1067 L1081 F1083 L1104 F1111 V1116	Q1066-I1089 WeakPolarHBondContact CA-O 3.37Å; C1067-I1089 PolarHBondContact N-O 3.19Å; C1067-I1089 PolarHBondContact O-N 3.16Å; L1081-I1089 HydrophobicContact CD2-CG2 4.08Å; F1083-I1089 HydrophobicContact CB-CD1 4.11Å; F1083-I1089 HydrophobicContact CD1-CD1 3.75Å; F1083-I1089 HydrophobicContact CD2-CD1 4.09Å; F1083-I1089 HydrophobicContact CE1-CD1 4.2Å; F1083-I1089 HydrophobicContact CE2-CD1 4.45Å; F1083-I1089 HydrophobicContact CG-CD1 3.71Å; I1089-L1104 HydrophobicContact CG1-CB 4.32Å; I1089-L1104 HydrophobicContact CG1-CD1 4.42Å; I1089-L1104 HydrophobicContact CG1-CD2 4.39Å; I1089-F1111 HydrophobicContact CD1-CD2 4.32Å; I1089-F1111 HydrophobicContact CD1-CE2 4.36Å; I1089-F1111 HydrophobicContact CG2-CE1 4.18Å; I1089-F1111 HydrophobicContact CG2-CZ 4.28Å; I1089-V1116 HydrophobicContact CD1-CG1 4.33Å
1090	D	94	Very high	90.5	Very high	48 Å²	48	55.4 Å²	55.4	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.2	169.6	-65.1	-32.3	0	0	0	109.2	V1064 Q1066 G1102 R1103	V1064-D1090 HydrophobicContact CG2-CB 4.15Å; Q1066-D1090 PolarHBondContact NE2-OD1 3.45Å; D1090-G1102 CarbonylContact O-C 3.56Å; D1090-G1102 WeakPolarHBondContact O-CA 3.42Å; D1090-R1103 HydrophobicContact CB-CB 4.34Å; D1090-R1103 PolarHBondContact N-O 2.81Å; D1090-R1103 PolarHBondContact O-N 3.38Å
1091	I	92.8	Very high	90.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.9	175.6	-51.6	173.9	0	0	0	108.7	P1065 C1067 E1094 W1100 K1118	P1065-I1091 HydrophobicContact CG-CB 4.3Å; P1065-I1091 WeakPolarHBondContact O-CB 3.01Å; P1065-I1091 PolarHBondContact O-N 2.96Å; C1067-I1091 HydrophobicContact CB-CD1 4.01Å; C1067-I1091 HydrophobicContact CB-CG1 4.25Å; I1091-E1094 HydrophobicContact CG2-CG 3.72Å; I1091-W1100 HydrophobicContact CD1-CE3 4.12Å; I1091-W1100 HydrophobicContact CD1-CZ3 4.01Å; I1091-K1118 HydrophobicContact CD1-CD 4.25Å; I1091-K1118 HydrophobicContact CD1-CG 4.11Å
1092	I	90.1	Very high	90.5	Very high	70 Å²	70	54.6 Å²	54.6	36%	0.359	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-39.1	179.3	-67.6	178.9	0	0	0	111.2	T1101 R1103 Q1108	I1092-T1101 WeakPolarHBondContact CA-O 3.44Å; I1092-T1101 WeakPolarHBondContact CB-O 3.28Å; I1092-T1101 PolarHBondContact N-O 3.14Å; I1092-R1103 HydrophobicContact CD1-CB 3.68Å; I1092-R1103 HydrophobicContact CG1-CB 4.46Å; I1092-Q1108 VanDerWaalsContact CD1-CD 3.5Å; I1092-Q1108 HydrophobicContact CD1-CG 4.06Å; I1092-Q1108 VanDerWaalsContact CD1-OE1 3.31Å
1093	K	89.4	Confident	90.5	Very high	108 Å²	108	57 Å²	57	47%	0.47	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	132.5	174.8	-169.7	-155.6	170.9	-155.6	0	110.2	D1095 W1100 T1101	K1093-D1095 IonicContact NZ-OD2 3.31Å; K1093-D1095 PolarHBondContact NZ-OD2 3.07Å; K1093-W1100 CarbonylContact O-C 3.54Å; K1093-W1100 WeakPolarHBondContact O-CA 3.26Å; K1093-T1101 PolarHBondContact N-O 2.83Å; K1093-T1101 PolarHBondContact O-N 3.38Å
1094	E	91.1	Very high	90.3	Very high	91 Å²	91	57.4 Å²	57.4	43%	0.425	31%	0.312	S	S	.	.			trans	-93.5	138.2	166.3	-61.4	179.9	-140.7	0	0	109.5	I1091 W1100 K1118	I1091-E1094 HydrophobicContact CG2-CG 3.72Å; E1094-W1100 HydrophobicContact CB-CD2 4.48Å; E1094-W1100 HydrophobicContact CB-CG 4.41Å; E1094-W1100 HydrophobicContact CG-CD2 4Å; E1094-W1100 HydrophobicContact CG-CG 4.27Å; E1094-W1100 HydrophobicContact CG-CZ2 4.33Å; E1094-K1118 WeakPolarHBondContact OE1-CE 3.3Å; E1094-K1118 IonicContact OE1-NZ 2.69Å; E1094-K1118 PolarHBondContact OE1-NZ 3.46Å; E1094-K1118 IonicContact OE2-NZ 3.54Å; E1094-K1118 PolarHBondContact OE2-NZ 3.12Å
1095	D	82.2	Confident	90.1	Very high	58 Å²	58	62 Å²	62	31%	0.31	32%	0.322	S	S	.	.			trans	-124.4	145.5	177.6	-158.2	-81.8	0	0	0	110.8	K1093 S1097 G1098 W1099	K1093-D1095 IonicContact NZ-OD2 3.31Å; K1093-D1095 PolarHBondContact NZ-OD2 3.07Å; D1095-S1097 PolarHBondContact O-N 2.94Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.49Å; D1095-S1097 PolarHBondContact OD1-N 2.77Å; D1095-S1097 PolarHBondContact OD1-OG 3.41Å; D1095-G1098 PolarHBondContact O-N 3.22Å; D1095-W1099 WeakPolarHBondContact CB-O 3.43Å
1096	A	76.9	Confident	89.6	Confident	111 Å²	111	61.9 Å²	61.9	92%	0.917	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.2	-178.4	0	0	0	0	0	113.2	G1098	A1096-G1098 PolarHBondContact O-N 3.27Å
1097	S	82.5	Confident	89.3	Confident	82 Å²	82	64.9 Å²	64.9	57%	0.573	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.5	171.7	56	0	0	0	0	114.5	D1095	D1095-S1097 PolarHBondContact O-N 2.94Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.49Å; D1095-S1097 PolarHBondContact OD1-N 2.77Å; D1095-S1097 PolarHBondContact OD1-OG 3.41Å
1098	G	83.6	Confident	89.3	Confident	16 Å²	16	68.5 Å²	68.5	17%	0.165	36%	0.36	C	S	.	.	S	Bend	trans	91.7	-4.4	-176.2	0	0	0	0	0	114.6	D1095 A1096 N1113	D1095-G1098 PolarHBondContact O-N 3.22Å; A1096-G1098 PolarHBondContact O-N 3.27Å; G1098-N1113 VanDerWaalsContact O-CB 3.32Å; G1098-N1113 WeakPolarHBondContact O-CB 3.41Å; G1098-N1113 PolarHBondContact O-N 3.41Å; G1098-N1113 PolarHBondContact O-OD1 3.48Å
1099	W	92.6	Very high	89.3	Confident	93 Å²	93	66 Å²	66	35%	0.352	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	174.1	-69.5	83.5	0	0	0	110.2	Y1073 E1080 D1095 L1110 F1111 P1112	Y1073-W1099 WeakPolarHBondContact OH-CH2 3.34Å; E1080-W1099 HydrophobicContact CG-CZ3 4.25Å; E1080-W1099 WeakPolarHBondContact OE1-CH2 3.28Å; E1080-W1099 WeakPolarHBondContact OE1-CZ3 3.28Å; D1095-W1099 WeakPolarHBondContact CB-O 3.43Å; W1099-L1110 HydrophobicContact CE3-CB 4.3Å; W1099-F1111 CarbonylContact C-O 3.51Å; W1099-F1111 WeakPolarHBondContact CA-O 3.36Å; W1099-P1112 HydrophobicContact CD2-CB 4.5Å; W1099-P1112 HydrophobicContact CE3-CB 4.35Å; W1099-P1112 HydrophobicContact CH2-CB 4.37Å; W1099-P1112 HydrophobicContact CH2-CG 4.48Å; W1099-P1112 HydrophobicContact CZ2-CB 4.46Å; W1099-P1112 HydrophobicContact CZ3-CB 4.3Å; W1099-P1112 HydrophobicContact CZ3-CG 4.32Å
1100	W	94.5	Very high	89.2	Confident	27 Å²	27	68.5 Å²	68.5	10%	0.102	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.3	-179.7	-67.7	-4.1	0	0	0	110.2	I1091 K1093 E1094 L1110 F1111 N1113 V1116 K1118	I1091-W1100 HydrophobicContact CD1-CE3 4.12Å; I1091-W1100 HydrophobicContact CD1-CZ3 4.01Å; K1093-W1100 CarbonylContact O-C 3.54Å; K1093-W1100 WeakPolarHBondContact O-CA 3.26Å; E1094-W1100 HydrophobicContact CB-CD2 4.48Å; E1094-W1100 HydrophobicContact CB-CG 4.41Å; E1094-W1100 HydrophobicContact CG-CD2 4Å; E1094-W1100 HydrophobicContact CG-CG 4.27Å; E1094-W1100 HydrophobicContact CG-CZ2 4.33Å; W1100-L1110 CarbonylContact O-C 3.47Å; W1100-L1110 WeakPolarHBondContact O-CA 3.46Å; W1100-F1111 HydrophobicContact CB-CD1 4.22Å; W1100-F1111 HydrophobicContact CB-CE1 3.63Å; W1100-F1111 HydrophobicContact CB-CE2 4.3Å; W1100-F1111 HydrophobicContact CB-CZ 3.7Å; W1100-F1111 HydrophobicContact CE3-CE2 4.21Å; W1100-F1111 HydrophobicContact CE3-CZ 4.02Å; W1100-F1111 PolarHBondContact N-O 3Å; W1100-F1111 WeakPolarHBondContact O-CD1 3.24Å; W1100-F1111 WeakPolarHBondContact O-CE1 3.46Å; W1100-F1111 PolarHBondContact O-N 3.21Å; W1100-N1113 HydrophobicContact CD2-CB 3.47Å; W1100-N1113 VanDerWaalsContact CD2-CB 3.47Å; W1100-N1113 HydrophobicContact CE3-CB 3.83Å; W1100-N1113 HydrophobicContact CG-CB 3.91Å; W1100-N1113 HydrophobicContact CH2-CB 4Å; W1100-N1113 HydrophobicContact CZ2-CB 3.69Å; W1100-N1113 WeakPolarHBondContact CZ2-ND2 3.34Å; W1100-N1113 HydrophobicContact CZ3-CB 4.07Å; W1100-N1113 PolarHBondContact NE1-ND2 3.3Å; W1100-V1116 HydrophobicContact CE3-CG2 4.29Å; W1100-V1116 HydrophobicContact CZ3-CG2 3.97Å; W1100-K1118 HydrophobicContact CH2-CD 4.42Å; W1100-K1118 HydrophobicContact CH2-CG 4.27Å; W1100-K1118 HydrophobicContact CZ3-CG 4.21Å
1101	T	92.8	Very high	89.2	Confident	29 Å²	29	66.2 Å²	66.2	18%	0.178	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.4	170	-46.9	0	0	0	0	108.4	I1092 K1093 Q1108 G1109 L1110	I1092-T1101 WeakPolarHBondContact CA-O 3.44Å; I1092-T1101 WeakPolarHBondContact CB-O 3.28Å; I1092-T1101 PolarHBondContact N-O 3.14Å; K1093-T1101 PolarHBondContact N-O 2.83Å; K1093-T1101 PolarHBondContact O-N 3.38Å; T1101-Q1108 HydrophobicContact CG2-CG 4.06Å; T1101-G1109 WeakPolarHBondContact CA-O 3.47Å; T1101-L1110 WeakPolarHBondContact OG1-CD2 3.33Å
1102	G	92.9	Very high	89.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	172.4	-177.2	0	0	0	0	0	113	D1090 Q1108 G1109 F1111	D1090-G1102 CarbonylContact O-C 3.56Å; D1090-G1102 WeakPolarHBondContact O-CA 3.42Å; G1102-Q1108 VanDerWaalsContact O-CA 3.24Å; G1102-Q1108 WeakPolarHBondContact O-CA 3.44Å; G1102-Q1108 WeakPolarHBondContact O-CG 3.28Å; G1102-G1109 PolarHBondContact N-O 2.95Å; G1102-G1109 PolarHBondContact O-N 2.82Å; G1102-G1109 VanDerWaalsContact O-N 3.08Å; G1102-F1111 VanDerWaalsContact CA-CE1 3.49Å
1103	R	93.8	Very high	89.3	Confident	109 Å²	109	65.5 Å²	65.5	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.7	173.2	179.5	179.8	-64.8	170.7	1.8	110.8	D1090 I1092 K1107 Q1108	D1090-R1103 HydrophobicContact CB-CB 4.34Å; D1090-R1103 PolarHBondContact N-O 2.81Å; D1090-R1103 PolarHBondContact O-N 3.38Å; I1092-R1103 HydrophobicContact CD1-CB 3.68Å; I1092-R1103 HydrophobicContact CG1-CB 4.46Å; R1103-K1107 CarbonylContact C-O 3.56Å; R1103-K1107 VanDerWaalsContact CA-O 3.23Å; R1103-K1107 WeakPolarHBondContact CA-O 3.18Å; R1103-K1107 WeakPolarHBondContact CG-O 3.39Å; R1103-Q1108 HydrophobicContact CB-CB 4.39Å
1104	L	91.7	Very high	89.5	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.068	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.5	177.4	178.4	64	0	0	0	108.9	L1081 F1083 D1087 V1088 I1089 G1106 K1107	L1081-L1104 HydrophobicContact CD1-CB 4.32Å; L1081-L1104 HydrophobicContact CD2-CB 3.96Å; L1081-L1104 HydrophobicContact CG-CB 4.39Å; F1083-L1104 HydrophobicContact CB-CD2 3.42Å; F1083-L1104 VanDerWaalsContact CB-CD2 3.42Å; D1087-L1104 HydrophobicContact CB-CD1 4.17Å; D1087-L1104 HydrophobicContact CB-CD2 3.97Å; V1088-L1104 WeakPolarHBondContact O-CD1 3.46Å; I1089-L1104 HydrophobicContact CG1-CB 4.32Å; I1089-L1104 HydrophobicContact CG1-CD1 4.42Å; I1089-L1104 HydrophobicContact CG1-CD2 4.39Å; L1104-G1106 PolarHBondContact O-N 3.46Å; L1104-K1107 PolarHBondContact N-O 3.08Å; L1104-K1107 PolarHBondContact O-N 2.91Å
1105	R	87.8	Confident	89.5	Confident	193 Å²	193	65 Å²	65	73%	0.728	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.4	174.6	-58.8	165.9	-169.7	-159.5	5.1	113.7	D1087	D1087-R1105 VanDerWaalsContact CG-NH2 3.26Å; D1087-R1105 IonicContact OD1-CZ 2.8Å; D1087-R1105 IonicContact OD1-NE 2.8Å; D1087-R1105 PolarHBondContact OD1-NE 2.89Å; D1087-R1105 IonicContact OD1-NH2 3.14Å; D1087-R1105 PolarHBondContact OD1-NH2 3.36Å; D1087-R1105 IonicContact OD2-CZ 2.78Å; D1087-R1105 IonicContact OD2-NH2 2.78Å; D1087-R1105 PolarHBondContact OD2-NH2 2.73Å
1106	G	81.1	Confident	90	Very high	67 Å²	67	62.9 Å²	62.9	69%	0.691	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-13.9	179.7	0	0	0	0	0	116.2	L1104	L1104-G1106 PolarHBondContact O-N 3.46Å
1107	K	84.9	Confident	90.7	Very high	163 Å²	163	60.8 Å²	60.8	71%	0.709	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	147.1	170.1	-70.8	-171.4	175.3	-172.3	0	110.6	L1081 R1103 L1104	L1081-K1107 HydrophobicContact CD1-CB 3.9Å; R1103-K1107 CarbonylContact C-O 3.56Å; R1103-K1107 VanDerWaalsContact CA-O 3.23Å; R1103-K1107 WeakPolarHBondContact CA-O 3.18Å; R1103-K1107 WeakPolarHBondContact CG-O 3.39Å; L1104-K1107 PolarHBondContact N-O 3.08Å; L1104-K1107 PolarHBondContact O-N 2.91Å
1108	Q	92.3	Very high	91.1	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	174.8	169.2	174.2	-16.5	0	0	109.3	I1092 T1101 G1102 R1103	I1092-Q1108 VanDerWaalsContact CD1-CD 3.5Å; I1092-Q1108 HydrophobicContact CD1-CG 4.06Å; I1092-Q1108 VanDerWaalsContact CD1-OE1 3.31Å; T1101-Q1108 HydrophobicContact CG2-CG 4.06Å; G1102-Q1108 VanDerWaalsContact O-CA 3.24Å; G1102-Q1108 WeakPolarHBondContact O-CA 3.44Å; G1102-Q1108 WeakPolarHBondContact O-CG 3.28Å; R1103-Q1108 HydrophobicContact CB-CB 4.39Å
1109	G	93	Very high	91	Very high	6 Å²	6	67.3 Å²	67.3	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	-178.7	-179.5	0	0	0	0	0	112.5	D1079 T1101 G1102	D1079-G1109 CarbonylContact O-C 3.57Å; D1079-G1109 WeakPolarHBondContact O-CA 3.42Å; T1101-G1109 WeakPolarHBondContact CA-O 3.47Å; G1102-G1109 PolarHBondContact N-O 2.95Å; G1102-G1109 PolarHBondContact O-N 2.82Å; G1102-G1109 VanDerWaalsContact O-N 3.08Å
1110	L	93.7	Very high	90.9	Very high	53 Å²	53	66 Å²	66	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	146	176	-67.6	173.7	0	0	0	112.1	D1079 E1080 L1081 W1099 W1100 T1101	D1079-L1110 PolarHBondContact O-N 2.67Å; E1080-L1110 CarbonylContact C-O 3.38Å; E1080-L1110 VanDerWaalsContact CA-O 3.3Å; E1080-L1110 WeakPolarHBondContact CA-O 3.22Å; E1080-L1110 HydrophobicContact CG-CB 4.39Å; L1081-L1110 PolarHBondContact N-O 2.9Å; W1099-L1110 HydrophobicContact CE3-CB 4.3Å; W1100-L1110 CarbonylContact O-C 3.47Å; W1100-L1110 WeakPolarHBondContact O-CA 3.46Å; T1101-L1110 WeakPolarHBondContact OG1-CD2 3.33Å
1111	F	93.9	Very high	90.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.9	174.1	68.2	-76.4	0	0	0	112.5	F1083 I1089 W1099 W1100 G1102 V1116	F1083-F1111 HydrophobicContact CD1-CB 4.42Å; F1083-F1111 HydrophobicContact CE1-CB 3.59Å; F1083-F1111 HydrophobicContact CE1-CD2 4.27Å; F1083-F1111 HydrophobicContact CE1-CG 4.27Å; F1083-F1111 HydrophobicContact CZ-CB 4.31Å; F1083-F1111 HydrophobicContact CZ-CD2 4.36Å; I1089-F1111 HydrophobicContact CD1-CD2 4.32Å; I1089-F1111 HydrophobicContact CD1-CE2 4.36Å; I1089-F1111 HydrophobicContact CG2-CE1 4.18Å; I1089-F1111 HydrophobicContact CG2-CZ 4.28Å; W1099-F1111 CarbonylContact C-O 3.51Å; W1099-F1111 WeakPolarHBondContact CA-O 3.36Å; W1100-F1111 HydrophobicContact CB-CD1 4.22Å; W1100-F1111 HydrophobicContact CB-CE1 3.63Å; W1100-F1111 HydrophobicContact CB-CE2 4.3Å; W1100-F1111 HydrophobicContact CB-CZ 3.7Å; W1100-F1111 HydrophobicContact CE3-CE2 4.21Å; W1100-F1111 HydrophobicContact CE3-CZ 4.02Å; W1100-F1111 PolarHBondContact N-O 3Å; W1100-F1111 WeakPolarHBondContact O-CD1 3.24Å; W1100-F1111 WeakPolarHBondContact O-CE1 3.46Å; W1100-F1111 PolarHBondContact O-N 3.21Å; G1102-F1111 VanDerWaalsContact CA-CE1 3.49Å; F1111-V1116 HydrophobicContact CD2-CG1 3.9Å; F1111-V1116 HydrophobicContact CE2-CB 4.37Å; F1111-V1116 HydrophobicContact CE2-CG1 3.65Å; F1111-V1116 HydrophobicContact CE2-CG2 3.81Å
1112	P	93.2	Very high	90.6	Very high	8 Å²	8	70.2 Å²	70.2	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.8	-178.5	30.3	-34.2	0	0	0	111.4	Y1073 W1099 N1114 Y1115	Y1073-P1112 HydrophobicContact CD2-CG 3.79Å; Y1073-P1112 HydrophobicContact CE2-CG 3.82Å; Y1073-P1112 HydrophobicContact CG-CG 4.18Å; W1099-P1112 HydrophobicContact CD2-CB 4.5Å; W1099-P1112 HydrophobicContact CE3-CB 4.35Å; W1099-P1112 HydrophobicContact CH2-CB 4.37Å; W1099-P1112 HydrophobicContact CH2-CG 4.48Å; W1099-P1112 HydrophobicContact CZ2-CB 4.46Å; W1099-P1112 HydrophobicContact CZ3-CB 4.3Å; W1099-P1112 HydrophobicContact CZ3-CG 4.32Å; P1112-N1114 VanDerWaalsContact C-N 3.27Å; P1112-N1114 PolarHBondContact O-N 2.87Å; P1112-Y1115 HydrophobicContact CB-CD2 4.06Å; P1112-Y1115 HydrophobicContact CG-CD2 3.64Å; P1112-Y1115 HydrophobicContact CG-CE2 4.2Å; P1112-Y1115 HydrophobicContact CG-CG 3.98Å; P1112-Y1115 PolarHBondContact O-N 3.02Å; P1112-Y1115 VanDerWaalsContact O-N 3.14Å
1113	N	92.5	Very high	90.4	Very high	51 Å²	51	74.4 Å²	74.4	27%	0.273	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-69.9	-20.6	-169.9	75.3	-7.5	0	0	0	114.7	G1098 W1100 Y1115 V1116	G1098-N1113 VanDerWaalsContact O-CB 3.32Å; G1098-N1113 WeakPolarHBondContact O-CB 3.41Å; G1098-N1113 PolarHBondContact O-N 3.41Å; G1098-N1113 PolarHBondContact O-OD1 3.48Å; W1100-N1113 HydrophobicContact CD2-CB 3.47Å; W1100-N1113 VanDerWaalsContact CD2-CB 3.47Å; W1100-N1113 HydrophobicContact CE3-CB 3.83Å; W1100-N1113 HydrophobicContact CG-CB 3.91Å; W1100-N1113 HydrophobicContact CH2-CB 4Å; W1100-N1113 HydrophobicContact CZ2-CB 3.69Å; W1100-N1113 WeakPolarHBondContact CZ2-ND2 3.34Å; W1100-N1113 HydrophobicContact CZ3-CB 4.07Å; W1100-N1113 PolarHBondContact NE1-ND2 3.3Å; N1113-Y1115 PolarHBondContact O-N 3.43Å; N1113-V1116 WeakPolarHBondContact O-CG2 3.25Å; N1113-V1116 PolarHBondContact O-N 3.36Å
1114	N	92.6	Very high	90.2	Very high	108 Å²	108	72.2 Å²	72.2	58%	0.578	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-76.8	-3.2	175.8	64.9	-50.7	0	0	0	113.5	P1112	P1112-N1114 VanDerWaalsContact C-N 3.27Å; P1112-N1114 PolarHBondContact O-N 2.87Å
1115	Y	91.5	Very high	90.1	Very high	81 Å²	81	76.1 Å²	76.1	32%	0.318	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-92.8	-2.8	172.7	-80	-117.5	0	0	0	113	L1070 Y1071 Y1073 P1112 N1113	L1070-Y1115 PolarHBondContact N-O 3.34Å; Y1071-Y1115 PolarHBondContact N-O 3.05Å; Y1073-Y1115 HydrophobicContact CD2-CD1 4.27Å; Y1073-Y1115 HydrophobicContact CD2-CE1 4.15Å; P1112-Y1115 HydrophobicContact CB-CD2 4.06Å; P1112-Y1115 HydrophobicContact CG-CD2 3.64Å; P1112-Y1115 HydrophobicContact CG-CE2 4.2Å; P1112-Y1115 HydrophobicContact CG-CG 3.98Å; P1112-Y1115 PolarHBondContact O-N 3.02Å; P1112-Y1115 VanDerWaalsContact O-N 3.14Å; N1113-Y1115 PolarHBondContact O-N 3.43Å
1116	V	92.4	Very high	90.3	Very high	13 Å²	13	67.8 Å²	67.8	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165.2	-176.6	-54.8	0	0	0	0	112.8	C1067 K1068 F1083 I1089 W1100 F1111 N1113	C1067-V1116 HydrophobicContact CB-CB 3.97Å; C1067-V1116 HydrophobicContact CB-CG2 3.86Å; K1068-V1116 CarbonylContact O-C 3.59Å; K1068-V1116 WeakPolarHBondContact O-CA 3.42Å; F1083-V1116 HydrophobicContact CE2-CG1 4.25Å; F1083-V1116 HydrophobicContact CZ-CG1 4.35Å; I1089-V1116 HydrophobicContact CD1-CG1 4.33Å; W1100-V1116 HydrophobicContact CE3-CG2 4.29Å; W1100-V1116 HydrophobicContact CZ3-CG2 3.97Å; F1111-V1116 HydrophobicContact CD2-CG1 3.9Å; F1111-V1116 HydrophobicContact CE2-CB 4.37Å; F1111-V1116 HydrophobicContact CE2-CG1 3.65Å; F1111-V1116 HydrophobicContact CE2-CG2 3.81Å; N1113-V1116 WeakPolarHBondContact O-CG2 3.25Å; N1113-V1116 PolarHBondContact O-N 3.36Å
1117	T	92.6	Very high	91	Very high	66 Å²	66	67.8 Å²	67.8	41%	0.405	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.4	159.8	-178.5	0	0	0	0	109.6	C1067 K1068 L1070	C1067-T1117 CarbonylContact C-O 3.53Å; C1067-T1117 WeakPolarHBondContact CA-O 3.27Å; C1067-T1117 WeakPolarHBondContact CB-O 3.4Å; K1068-T1117 HydrophobicContact CB-CG2 4.43Å; K1068-T1117 PolarHBondContact N-O 3.21Å; K1068-T1117 PolarHBondContact O-N 2.79Å; L1070-T1117 HydrophobicContact CD2-CG2 3.83Å; L1070-T1117 HydrophobicContact CG-CG2 4.26Å
1118	K	89.6	Confident	91.5	Very high	96 Å²	96	59.9 Å²	59.9	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	153.6	168.9	-59.1	-168.2	-170.1	-177.5	0	110.3	Q1066 I1091 E1094 W1100	Q1066-K1118 WeakPolarHBondContact O-CA 3.45Å; I1091-K1118 HydrophobicContact CD1-CD 4.25Å; I1091-K1118 HydrophobicContact CD1-CG 4.11Å; E1094-K1118 WeakPolarHBondContact OE1-CE 3.3Å; E1094-K1118 IonicContact OE1-NZ 2.69Å; E1094-K1118 PolarHBondContact OE1-NZ 3.46Å; E1094-K1118 IonicContact OE2-NZ 3.54Å; E1094-K1118 PolarHBondContact OE2-NZ 3.12Å; W1100-K1118 HydrophobicContact CH2-CD 4.42Å; W1100-K1118 HydrophobicContact CH2-CG 4.27Å; W1100-K1118 HydrophobicContact CZ3-CG 4.21Å
1119	I	81.3	Confident	91.5	Very high	139 Å²	139	56.5 Å²	56.5	71%	0.713	29%	0.288	S	S	*	.			trans	-131.2	0	177.4	60.8	172.8	0	0	0	111.2	Q1066 K1068 V1088	Q1066-I1119 HydrophobicContact CB-CD1 3.94Å; Q1066-I1119 HydrophobicContact CB-CG1 3.74Å; Q1066-I1119 PolarHBondContact O-N 3.31Å; Q1066-I1119 VanDerWaalsContact O-N 3.08Å; K1068-I1119 HydrophobicContact CB-CG2 3.87Å; V1088-I1119 HydrophobicContact CG1-CD1 3.79Å; V1088-I1119 HydrophobicContact CG2-CD1 4.25Å

Retrieved 1,119 of 1,119 residues in 202.4 ms (Link to these results)

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