A0A087XTQ1_POEFO Loading...

Protein arginine N-methyltransferase 9

AlphaFold DB , UniProt , Accession A0A087XTQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 847 aa.

						>A0A087XTQ1_POEFO|A0A087XTQ1
MPNTSARPKHGRRARRRRRVDPARDQLVSSSLESAQQCLLNQDYGTAFVHYLLVLNLAPVFKDFAQDSFRFTLFKWAEELDSVGRIQELFDCYEQALEIFPADEVILNSMGEHLFRMGFRDEAAGHFHKALKLKPDFPEARENFYRVANWLVERWHFLMLNDHGRNRKYQQAIQKAVQNGCKTILDIGTGTGILGMCAKKAGAAEVYACELSKTMYELACEVVAANGMEGSIKILHKKSLDMEVPTDIPNRVSLVVTETVDAGLFGEGIIESLIHAWHHLLLPPKRGQGKFGEDSATGRVIPAGAAVFCMAVECLEIRRHHRLCAADVGGLSMAAAGELRSPVSCSPEQDDSTEPYTTERLSRLPGGYRALTEPFTALTIDFNNVQELEGLTSREVREMRLPVTQEGELDALAVWFQLHLDEENSLSTGPQEDTCWEQAIYPVHSAMSFVLKPLDELIVEVSCRDAYLRLSCVAVLRDGHKIYLDKRMDFPNSFKPIPNPNPEVELCSALACLQTSQSESEDFCMLECSEMALLNNQDYHQSFCTALTKLISELKVKNPNRNTVGMASFAADSSLLYVLDVSEGFSLLSLIAARQGQVKAYSSVEKSKQQNVLRRLARSNDVSEQHLEFWLNHTEDEQGMLQRPSREKLWSAIILDCVETCGLVRQKLMEKASLARFLLEEGGRIFPEKIVVYGMLVESDTLLLESAVQGREPTLGFNIAPFINQFTVPVHVFLDFSTLECRHLSDALELFVLDLMDVNKNYIEREVKVQATCGGRVTAVPFWYQIQLDPDVSVSTLSRNSHWKQAAAVLQDPLQVQAGDWIRLAVRLHKSTISISAHLDNAPVQMD
					

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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	27.2	Very low	36.2	Very low	236 Å²	236	151.3 Å²	151.3	100%	1.163	84%	0.839	S	S	*	*				0	152.1	0	-80.2	-154.3	179.5	0	0	109.1
2	P	51.1	Low	36.4	Very low	99 Å²	99	159.9 Å²	159.9	64%	0.643	85%	0.849	S	S	*	*			cis	-146.1	178.6	-33.2	39.8	-21.3	0	0	0	114.9
3	N	31.8	Very low	36.6	Very low	148 Å²	148	166.7 Å²	166.7	79%	0.791	86%	0.856	S	S	*	*			trans	77	135.7	152.6	-72.4	-7.1	0	0	0	118.5
4	T	35	Very low	36.6	Very low	120 Å²	120	161.3 Å²	161.3	74%	0.736	85%	0.849	S	S	*	*			cis	-157	134.7	38.2	40.3	0	0	0	0	114.9
5	S	34.3	Very low	37	Very low	115 Å²	115	166.7 Å²	166.7	80%	0.804	85%	0.853	S	S	*	*			trans	38.1	122.5	133.5	71	0	0	0	0	123.4
6	A	33.6	Very low	37.2	Very low	106 Å²	106	171.8 Å²	171.8	88%	0.876	86%	0.858	S	S	*	*			trans	-147.3	134.8	135	0	0	0	0	0	111.4
7	R	34.1	Very low	37.6	Very low	241 Å²	241	175.1 Å²	175.1	91%	0.909	86%	0.858	S	S	*	*			trans	-66.3	161.3	-170.6	-82.4	175.8	175	176.3	-2	115.3
8	P	36.4	Very low	38.1	Very low	123 Å²	123	178.9 Å²	178.9	80%	0.799	86%	0.862	S	S	*	*			trans	-81.4	133	-171.9	33	-32.7	0	0	0	112.1
9	K	36.9	Very low	38.6	Very low	208 Å²	208	182.4 Å²	182.4	90%	0.904	87%	0.865	S	S	*	*			trans	-97.2	112.2	161.8	-79.6	-174.1	177.2	179.1	0	108.9	G11	K9-G11 PolarHBondContact O-N 3.39Å
10	H	41.8	Very low	39.6	Very low	204 Å²	204	178.3 Å²	178.3	94%	0.944	85%	0.852	S	S	*	*			trans	-59.1	105	162	-87.8	-55.6	0	0	0	109.6
11	G	36	Very low	41.2	Very low	64 Å²	64	174.1 Å²	174.1	66%	0.66	84%	0.835	S	S	*	*			trans	-118.2	108.9	161.6	0	0	0	0	0	108.3	K9 R13	K9-G11 PolarHBondContact O-N 3.39Å; G11-R13 PolarHBondContact O-N 3.01Å
12	R	38.7	Very low	43.5	Very low	255 Å²	255	167.6 Å²	167.6	96%	0.962	81%	0.81	S	S	*	*			trans	-51.1	104.1	170.2	-79.5	173.3	163.8	171.3	-5.6	109.2	A14	R12-A14 VanDerWaalsContact C-N 3.32Å; R12-A14 PolarHBondContact O-N 2.88Å
13	R	38.6	Very low	44.9	Very low	248 Å²	248	166 Å²	166	94%	0.936	81%	0.805	S	S	*	*			trans	-72.6	93.6	162.8	-91.4	-176.5	170.2	-178.3	-2.8	107.4	G11 R15	G11-R13 PolarHBondContact O-N 3.01Å; R13-R15 PolarHBondContact O-N 3.27Å
14	A	37.5	Very low	47.4	Very low	91 Å²	91	164.5 Å²	164.5	75%	0.752	79%	0.788	S	S	*	*			trans	-54.6	119.7	163.2	0	0	0	0	0	108.2	R12 R16	R12-A14 VanDerWaalsContact C-N 3.32Å; R12-A14 PolarHBondContact O-N 2.88Å; A14-R16 PolarHBondContact O-N 3.1Å
15	R	41.8	Very low	49.7	Very low	242 Å²	242	162.8 Å²	162.8	91%	0.913	78%	0.775	S	S	*	*			trans	-55.2	103.1	161.1	-87.8	176.3	161.5	172.3	-6.7	106.7	R13 R17	R13-R15 PolarHBondContact O-N 3.27Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.01Å
16	R	40.7	Very low	52.3	Low	249 Å²	249	164.2 Å²	164.2	94%	0.94	77%	0.768	S	S	*	*			trans	-61.3	95.8	162.9	-102.8	-177.9	168	-178.5	-3.8	106.3	A14 R18	A14-R16 PolarHBondContact O-N 3.1Å; R16-R18 PolarHBondContact O-N 3.21Å
17	R	43.3	Very low	54.9	Low	227 Å²	227	162.9 Å²	162.9	86%	0.857	75%	0.746	S	S	*	*			trans	-56.6	123.7	159.7	-78.7	179.8	169.2	177.5	-4.3	106	R15 R19	R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.01Å; R17-R19 PolarHBondContact O-N 2.81Å
18	R	46.9	Very low	57.6	Low	244 Å²	244	151.8 Å²	151.8	92%	0.921	71%	0.705	S	S	*	*			trans	-50.2	115.9	165.6	-91	-179.7	168.8	176.2	-3.9	106.1	R16 V20	R16-R18 PolarHBondContact O-N 3.21Å; R18-V20 PolarHBondContact O-N 3.01Å; R18-V20 VanDerWaalsContact O-N 3.16Å
19	R	48.1	Very low	60.1	Low	246 Å²	246	149 Å²	149	93%	0.928	69%	0.688	S	S	*	*			trans	-65.8	113.6	167.4	-89	-176.5	173	178.5	-3.6	105.6	R17	R17-R19 PolarHBondContact O-N 2.81Å
20	V	57.4	Low	62.7	Low	100 Å²	100	141.5 Å²	141.5	61%	0.606	66%	0.662	S	S	*	*			trans	-67	127.6	167.2	-178.8	0	0	0	0	106.3	R18 P22 D25	R18-V20 PolarHBondContact O-N 3.01Å; R18-V20 VanDerWaalsContact O-N 3.16Å; V20-P22 WeakPolarHBondContact O-CD 3.12Å; V20-D25 WeakPolarHBondContact CG1-OD2 3.41Å
21	D	73.9	Confident	65.2	Low	91 Å²	91	132 Å²	132	49%	0.487	62%	0.619	S	S	.	*			trans	-92.4	107.8	178.8	-176.3	-12.4	0	0	0	107.9	A23 R24 D25	D21-A23 PolarHBondContact O-N 3.48Å; D21-A23 PolarHBondContact OD1-N 2.68Å; D21-R24 HydrophobicContact CB-CB 3.91Å; D21-R24 WeakPolarHBondContact O-CB 3.37Å; D21-R24 PolarHBondContact O-N 2.93Å; D21-D25 PolarHBondContact O-N 3.11Å; D21-D25 VanDerWaalsContact O-N 3.09Å
22	P	76.1	Confident	67.8	Low	99 Å²	99	130.1 Å²	130.1	64%	0.643	59%	0.593	S	S	*	*	H	α-helix	trans	-59.9	-30.6	-174.5	-20.9	32.2	0	0	0	113.2	V20 Q26	V20-P22 WeakPolarHBondContact O-CD 3.12Å; P22-Q26 VanDerWaalsContact O-CB 3.32Å; P22-Q26 WeakPolarHBondContact O-CB 3.49Å; P22-Q26 PolarHBondContact O-N 2.82Å
23	A	80.2	Confident	70.4	Confident	64 Å²	64	123.7 Å²	123.7	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-70.8	-37.2	178.4	0	0	0	0	0	111.4	D21 L27	D21-A23 PolarHBondContact O-N 3.48Å; D21-A23 PolarHBondContact OD1-N 2.68Å; A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 PolarHBondContact O-N 2.75Å
24	R	83.6	Confident	73	Confident	118 Å²	118	113.9 Å²	113.9	45%	0.445	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-46.3	174.3	-178.4	-176.2	178.1	165	2.1	111.2	D21 Q26 L27 V28 L57	D21-R24 HydrophobicContact CB-CB 3.91Å; D21-R24 WeakPolarHBondContact O-CB 3.37Å; D21-R24 PolarHBondContact O-N 2.93Å; R24-Q26 VanDerWaalsContact C-N 3.34Å; R24-Q26 PolarHBondContact O-N 3.47Å; R24-L27 PolarHBondContact O-N 2.88Å; R24-V28 WeakPolarHBondContact O-CB 3.41Å; R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 2.85Å; R24-L57 PolarHBondContact NE-O 3.35Å; R24-L57 PolarHBondContact NH2-O 3.07Å
25	D	83.9	Confident	75.6	Confident	84 Å²	84	109.5 Å²	109.5	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-38.8	-179.6	-73.2	2.8	0	0	0	111.6	V20 D21 V28 S29	V20-D25 WeakPolarHBondContact CG1-OD2 3.41Å; D21-D25 PolarHBondContact O-N 3.11Å; D21-D25 VanDerWaalsContact O-N 3.09Å; D25-V28 PolarHBondContact O-N 2.98Å; D25-S29 PolarHBondContact O-N 3.25Å
26	Q	88.1	Confident	78	Confident	145 Å²	145	102.2 Å²	102.2	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-44.2	173.8	-172.3	176.3	7.4	0	0	111.7	P22 R24 V28 S29 S30	P22-Q26 VanDerWaalsContact O-CB 3.32Å; P22-Q26 WeakPolarHBondContact O-CB 3.49Å; P22-Q26 PolarHBondContact O-N 2.82Å; R24-Q26 VanDerWaalsContact C-N 3.34Å; R24-Q26 PolarHBondContact O-N 3.47Å; Q26-V28 VanDerWaalsContact C-N 3.35Å; Q26-V28 PolarHBondContact O-N 2.79Å; Q26-S29 PolarHBondContact O-N 2.87Å; Q26-S30 WeakPolarHBondContact O-CB 3.33Å; Q26-S30 PolarHBondContact O-N 2.95Å; Q26-S30 PolarHBondContact O-OG 2.9Å
27	L	90	Very high	80.6	Confident	78 Å²	78	96 Å²	96	41%	0.408	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-40.4	176.5	178.5	63.3	0	0	0	112.2	A23 R24 S30 S31 L57	A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 PolarHBondContact O-N 2.75Å; R24-L27 PolarHBondContact O-N 2.88Å; L27-S30 PolarHBondContact O-OG 2.97Å; L27-S30 VanDerWaalsContact O-OG 3.14Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.35Å; L27-S31 PolarHBondContact O-OG 2.83Å; L27-L57 HydrophobicContact CD2-CD1 3.84Å; L27-L57 HydrophobicContact CG-CD1 4.41Å
28	V	90.4	Very high	83	Confident	7 Å²	7	86.1 Å²	86.1	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-64.2	-47	176.7	167.9	0	0	0	0	110.5	R24 D25 Q26 S31 L32 V54 L57 A58 F61	R24-V28 WeakPolarHBondContact O-CB 3.41Å; R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 2.85Å; D25-V28 PolarHBondContact O-N 2.98Å; Q26-V28 VanDerWaalsContact C-N 3.35Å; Q26-V28 PolarHBondContact O-N 2.79Å; V28-S31 PolarHBondContact O-N 2.85Å; V28-L32 WeakPolarHBondContact O-CB 3.48Å; V28-L32 PolarHBondContact O-N 2.71Å; V28-V54 HydrophobicContact CG1-CG1 4.22Å; V28-L57 HydrophobicContact CG2-CB 3.82Å; V28-L57 HydrophobicContact CG2-CD1 4.39Å; V28-A58 HydrophobicContact CG1-CB 3.81Å; V28-A58 HydrophobicContact CG2-CB 3.95Å; V28-F61 HydrophobicContact CG1-CD2 4.02Å; V28-F61 HydrophobicContact CG1-CE2 3.57Å; V28-F61 HydrophobicContact CG1-CZ 4.49Å
29	S	88.6	Confident	85	Confident	64 Å²	64	76.1 Å²	76.1	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-48.3	178.1	-163.5	0	0	0	0	111.8	D25 Q26 S31 L32 E33	D25-S29 PolarHBondContact O-N 3.25Å; Q26-S29 PolarHBondContact O-N 2.87Å; S29-S31 VanDerWaalsContact C-N 3.35Å; S29-S31 PolarHBondContact O-N 2.93Å; S29-L32 PolarHBondContact O-N 2.83Å; S29-E33 WeakPolarHBondContact O-CG 3.46Å; S29-E33 PolarHBondContact O-N 2.76Å; S29-E33 VanDerWaalsContact O-N 3.08Å
30	S	91.5	Very high	87.1	Confident	51 Å²	51	71.4 Å²	71.4	36%	0.357	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-38	-179.6	66.6	0	0	0	0	112.3	Q26 L27 E33 S34	Q26-S30 WeakPolarHBondContact O-CB 3.33Å; Q26-S30 PolarHBondContact O-N 2.95Å; Q26-S30 PolarHBondContact O-OG 2.9Å; L27-S30 PolarHBondContact O-OG 2.97Å; L27-S30 VanDerWaalsContact O-OG 3.14Å; S30-E33 PolarHBondContact O-N 3.08Å; S30-S34 WeakPolarHBondContact O-CB 3.27Å; S30-S34 PolarHBondContact O-N 2.75Å; S30-S34 PolarHBondContact O-OG 2.91Å
31	S	93.3	Very high	88.9	Confident	5 Å²	5	72 Å²	72	4%	0.035	39%	0.388	C	S	.	.	H	α-helix	trans	-70.4	-34.5	178.6	-58.2	0	0	0	0	112	L27 V28 S29 S34 A35	L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.35Å; L27-S31 PolarHBondContact O-OG 2.83Å; V28-S31 PolarHBondContact O-N 2.85Å; S29-S31 VanDerWaalsContact C-N 3.35Å; S29-S31 PolarHBondContact O-N 2.93Å; S31-S34 PolarHBondContact O-N 3.23Å; S31-A35 WeakPolarHBondContact O-CB 3.34Å; S31-A35 PolarHBondContact O-N 2.81Å
32	L	91.4	Very high	89.8	Confident	24 Å²	24	74 Å²	74	13%	0.126	40%	0.395	C	S	.	.	H	α-helix	trans	-67.4	-42.3	174.8	-176.1	63.1	0	0	0	111.3	V28 S29 A35 Q36 Y51 V54	V28-L32 WeakPolarHBondContact O-CB 3.48Å; V28-L32 PolarHBondContact O-N 2.71Å; S29-L32 PolarHBondContact O-N 2.83Å; L32-A35 PolarHBondContact O-N 2.91Å; L32-Q36 WeakPolarHBondContact O-CG 3.39Å; L32-Q36 PolarHBondContact O-N 3.3Å; L32-Q36 VanDerWaalsContact O-N 3.1Å; L32-Y51 HydrophobicContact CD1-CD1 4.47Å; L32-Y51 HydrophobicContact CD1-CE1 4Å; L32-V54 HydrophobicContact CB-CG2 4.13Å; L32-V54 HydrophobicContact CD1-CG1 4.39Å
33	E	92.4	Very high	90.7	Very high	120 Å²	120	72.6 Å²	72.6	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-61.4	-43.7	172.6	-73.2	172.6	-168.3	0	0	111.4	S29 S30 Q36 Q37	S29-E33 WeakPolarHBondContact O-CG 3.46Å; S29-E33 PolarHBondContact O-N 2.76Å; S29-E33 VanDerWaalsContact O-N 3.08Å; S30-E33 PolarHBondContact O-N 3.08Å; E33-Q36 PolarHBondContact O-N 2.78Å; E33-Q37 WeakPolarHBondContact O-CB 3.17Å; E33-Q37 PolarHBondContact O-N 2.96Å
34	S	94.5	Very high	91.4	Very high	42 Å²	42	70.8 Å²	70.8	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-42.2	175.1	-63.7	0	0	0	0	112.2	S30 S31 Q36 Q37 C38	S30-S34 WeakPolarHBondContact O-CB 3.27Å; S30-S34 PolarHBondContact O-N 2.75Å; S30-S34 PolarHBondContact O-OG 2.91Å; S31-S34 PolarHBondContact O-N 3.23Å; S34-Q36 VanDerWaalsContact C-N 3.33Å; S34-Q36 PolarHBondContact O-N 2.74Å; S34-Q37 PolarHBondContact O-N 2.92Å; S34-C38 WeakPolarHBondContact O-CB 3.5Å; S34-C38 PolarHBondContact O-N 2.9Å; S34-C38 PolarHBondContact O-SG 3.06Å; S34-C38 VanDerWaalsContact O-SG 3.33Å
35	A	92.5	Very high	91.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-46.1	176	0	0	0	0	0	111.6	S31 L32 L39 H50 Y51	S31-A35 WeakPolarHBondContact O-CB 3.34Å; S31-A35 PolarHBondContact O-N 2.81Å; L32-A35 PolarHBondContact O-N 2.91Å; A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 PolarHBondContact O-N 3.49Å; A35-H50 HydrophobicContact CB-CB 3.69Å; A35-Y51 HydrophobicContact CB-CD1 4.11Å; A35-Y51 HydrophobicContact CB-CD2 3.95Å; A35-Y51 HydrophobicContact CB-CE1 4.02Å; A35-Y51 HydrophobicContact CB-CE2 3.87Å; A35-Y51 HydrophobicContact CB-CG 4.06Å
36	Q	91.6	Very high	92.5	Very high	88 Å²	88	64.4 Å²	64.4	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-39.2	178.6	-70	177.2	-13.5	0	0	112.3	L32 E33 S34 L39 L40	L32-Q36 WeakPolarHBondContact O-CG 3.39Å; L32-Q36 PolarHBondContact O-N 3.3Å; L32-Q36 VanDerWaalsContact O-N 3.1Å; E33-Q36 PolarHBondContact O-N 2.78Å; S34-Q36 VanDerWaalsContact C-N 3.33Å; S34-Q36 PolarHBondContact O-N 2.74Å; Q36-L39 PolarHBondContact O-N 2.75Å; Q36-L40 WeakPolarHBondContact O-CG 3.44Å; Q36-L40 PolarHBondContact O-N 2.74Å; Q36-L40 VanDerWaalsContact O-N 3.07Å
37	Q	94.1	Very high	92.9	Very high	119 Å²	119	57.5 Å²	57.5	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-68.6	-43.6	177.7	-171.4	175.3	2.4	0	0	112.2	E33 S34 L39 L40 N41	E33-Q37 WeakPolarHBondContact O-CB 3.17Å; E33-Q37 PolarHBondContact O-N 2.96Å; S34-Q37 PolarHBondContact O-N 2.92Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 3.07Å; Q37-L40 PolarHBondContact O-N 2.95Å; Q37-N41 PolarHBondContact O-N 3.04Å; Q37-N41 VanDerWaalsContact O-N 3.09Å; Q37-N41 PolarHBondContact O-ND2 2.88Å
38	C	93.9	Very high	93.2	Very high	19 Å²	19	54 Å²	54	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-41.6	173.6	-72.7	0	0	0	0	111	S34 L40 N41 Q42 D43 A47	S34-C38 WeakPolarHBondContact O-CB 3.5Å; S34-C38 PolarHBondContact O-N 2.9Å; S34-C38 PolarHBondContact O-SG 3.06Å; S34-C38 VanDerWaalsContact O-SG 3.33Å; C38-L40 PolarHBondContact O-N 2.83Å; C38-N41 CarbonylContact O-C 3.54Å; C38-N41 PolarHBondContact O-N 2.75Å; C38-N41 VanDerWaalsContact O-N 3.1Å; C38-Q42 PolarHBondContact O-N 3.25Å; C38-Q42 VanDerWaalsContact O-N 3.11Å; C38-D43 HydrophobicContact CB-CB 4.32Å; C38-D43 PolarHBondContact O-N 3.31Å; C38-A47 HydrophobicContact CB-CB 3.7Å
39	L	90.5	Very high	93.5	Very high	34 Å²	34	58 Å²	58	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-42.4	176.8	-172.1	59.8	0	0	0	112.7	A35 Q36 Q37 N41 Q42 Y44 A47 F71 T72	A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 PolarHBondContact O-N 3.49Å; Q36-L39 PolarHBondContact O-N 2.75Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 3.07Å; L39-N41 VanDerWaalsContact C-N 3.25Å; L39-N41 PolarHBondContact O-N 3.28Å; L39-Q42 PolarHBondContact O-N 2.78Å; L39-Q42 VanDerWaalsContact O-N 3.14Å; L39-Y44 HydrophobicContact CD1-CD1 3.65Å; L39-Y44 HydrophobicContact CD1-CE1 3.74Å; L39-A47 HydrophobicContact CB-CB 4.45Å; L39-F71 HydrophobicContact CD1-CD1 3.9Å; L39-F71 HydrophobicContact CD1-CE1 3.87Å; L39-F71 HydrophobicContact CD2-CD1 4.39Å; L39-T72 WeakPolarHBondContact CD1-OG1 3.02Å
40	L	92.2	Very high	93.8	Very high	147 Å²	147	57.2 Å²	57.2	77%	0.77	30%	0.303	S	S	*	.	H	α-helix	trans	-63.7	-32	174.8	-72.8	168.8	0	0	0	112.7	Q36 Q37 C38 Q42	Q36-L40 WeakPolarHBondContact O-CG 3.44Å; Q36-L40 PolarHBondContact O-N 2.74Å; Q36-L40 VanDerWaalsContact O-N 3.07Å; Q37-L40 PolarHBondContact O-N 2.95Å; C38-L40 PolarHBondContact O-N 2.83Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 2.83Å
41	N	93.3	Very high	94	Very high	113 Å²	113	55 Å²	55	60%	0.604	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	2.1	177	-66.5	-20.7	0	0	0	113.4	Q37 C38 L39 D43	Q37-N41 PolarHBondContact O-N 3.04Å; Q37-N41 VanDerWaalsContact O-N 3.09Å; Q37-N41 PolarHBondContact O-ND2 2.88Å; C38-N41 CarbonylContact O-C 3.54Å; C38-N41 PolarHBondContact O-N 2.75Å; C38-N41 VanDerWaalsContact O-N 3.1Å; L39-N41 VanDerWaalsContact C-N 3.25Å; L39-N41 PolarHBondContact O-N 3.28Å; N41-D43 PolarHBondContact O-N 3.48Å
42	Q	93.5	Very high	94.1	Very high	134 Å²	134	55.5 Å²	55.5	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	25.8	-174.9	-51.8	178.9	19.8	0	0	113.6	C38 L39 L40 Y44	C38-Q42 PolarHBondContact O-N 3.25Å; C38-Q42 VanDerWaalsContact O-N 3.11Å; L39-Q42 PolarHBondContact O-N 2.78Å; L39-Q42 VanDerWaalsContact O-N 3.14Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 2.83Å; Q42-Y44 HydrophobicContact CB-CE2 3.92Å; Q42-Y44 WeakPolarHBondContact O-CD2 3.29Å; Q42-Y44 PolarHBondContact O-N 3.01Å
43	D	94.9	Very high	94.3	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	30%	0.3	S	S	.	.			trans	-91.9	77.7	170	-179.4	-2.6	0	0	0	108.9	C38 N41 T46 A47	C38-D43 HydrophobicContact CB-CB 4.32Å; C38-D43 PolarHBondContact O-N 3.31Å; N41-D43 PolarHBondContact O-N 3.48Å; D43-T46 VanDerWaalsContact CG-OG1 3.24Å; D43-T46 WeakPolarHBondContact OD1-CB 3.48Å; D43-T46 PolarHBondContact OD1-N 2.85Å; D43-T46 VanDerWaalsContact OD1-N 3.16Å; D43-T46 PolarHBondContact OD1-OG1 2.78Å; D43-T46 VanDerWaalsContact OD2-CB 3.25Å; D43-T46 WeakPolarHBondContact OD2-CB 3.39Å; D43-T46 PolarHBondContact OD2-OG1 2.85Å; D43-A47 VanDerWaalsContact O-CB 3.32Å; D43-A47 WeakPolarHBondContact O-CB 3.45Å; D43-A47 PolarHBondContact O-N 3.04Å; D43-A47 VanDerWaalsContact O-N 3.1Å
44	Y	95.9	Very high	94.3	Very high	25 Å²	25	51.9 Å²	51.9	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-70.6	-33.8	-172	-53.4	-74.3	0	0	0	112.7	L39 Q42 A47 F48 F71 T72 K75 E79	L39-Y44 HydrophobicContact CD1-CD1 3.65Å; L39-Y44 HydrophobicContact CD1-CE1 3.74Å; Q42-Y44 HydrophobicContact CB-CE2 3.92Å; Q42-Y44 WeakPolarHBondContact O-CD2 3.29Å; Q42-Y44 PolarHBondContact O-N 3.01Å; Y44-A47 PolarHBondContact O-N 3.06Å; Y44-F48 VanDerWaalsContact O-CB 3.3Å; Y44-F48 WeakPolarHBondContact O-CB 3.4Å; Y44-F48 PolarHBondContact O-N 3.38Å; Y44-F71 HydrophobicContact CE1-CE1 4.13Å; Y44-T72 WeakPolarHBondContact O-CG2 3.33Å; Y44-K75 HydrophobicContact CD1-CB 3.48Å; Y44-K75 VanDerWaalsContact CD1-CB 3.48Å; Y44-K75 HydrophobicContact CD1-CG 4.16Å; Y44-K75 HydrophobicContact CD2-CB 3.84Å; Y44-K75 HydrophobicContact CE1-CB 3.6Å; Y44-K75 HydrophobicContact CE1-CG 3.78Å; Y44-K75 HydrophobicContact CE2-CB 3.94Å; Y44-K75 HydrophobicContact CE2-CG 4.48Å; Y44-K75 HydrophobicContact CG-CB 3.6Å; Y44-E79 WeakPolarHBondContact CD2-OE1 3.23Å; Y44-E79 WeakPolarHBondContact CE2-OE1 3.33Å
45	G	94.4	Very high	94.3	Very high	10 Å²	10	49.9 Å²	49.9	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-48.5	177.8	0	0	0	0	0	112.4	F48 V49	G45-F48 PolarHBondContact O-N 2.77Å; G45-V49 WeakPolarHBondContact O-CG2 3.38Å; G45-V49 PolarHBondContact O-N 2.87Å
46	T	95.3	Very high	94.3	Very high	58 Å²	58	55 Å²	55	36%	0.356	29%	0.287	S	S	.	.	H	α-helix	trans	-68.3	-39.1	177.2	-52.9	0	0	0	0	111.4	D43 F48 V49 H50	D43-T46 VanDerWaalsContact CG-OG1 3.24Å; D43-T46 WeakPolarHBondContact OD1-CB 3.48Å; D43-T46 PolarHBondContact OD1-N 2.85Å; D43-T46 VanDerWaalsContact OD1-N 3.16Å; D43-T46 PolarHBondContact OD1-OG1 2.78Å; D43-T46 VanDerWaalsContact OD2-CB 3.25Å; D43-T46 WeakPolarHBondContact OD2-CB 3.39Å; D43-T46 PolarHBondContact OD2-OG1 2.85Å; T46-F48 VanDerWaalsContact C-N 3.32Å; T46-F48 PolarHBondContact O-N 2.94Å; T46-V49 PolarHBondContact O-N 2.81Å; T46-H50 PolarHBondContact O-CD2 2.67Å; T46-H50 VanDerWaalsContact O-CD2 3.28Å; T46-H50 PolarHBondContact O-N 2.9Å; T46-H50 VanDerWaalsContact O-N 3.08Å
47	A	96	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-43.5	174.8	0	0	0	0	0	111.9	C38 L39 D43 Y44 V49 H50 Y51 T72	C38-A47 HydrophobicContact CB-CB 3.7Å; L39-A47 HydrophobicContact CB-CB 4.45Å; D43-A47 VanDerWaalsContact O-CB 3.32Å; D43-A47 WeakPolarHBondContact O-CB 3.45Å; D43-A47 PolarHBondContact O-N 3.04Å; D43-A47 VanDerWaalsContact O-N 3.1Å; Y44-A47 PolarHBondContact O-N 3.06Å; A47-V49 PolarHBondContact O-N 3.18Å; A47-H50 PolarHBondContact O-N 3.26Å; A47-Y51 VanDerWaalsContact O-CD2 3.23Å; A47-Y51 WeakPolarHBondContact O-CD2 3.33Å; A47-Y51 PolarHBondContact O-N 2.9Å; A47-T72 HydrophobicContact CB-CG2 3.68Å
48	F	96.8	Very high	94.2	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-48.2	178.4	-178.1	-109.2	0	0	0	111.4	Y44 G45 T46 H50 Y51 L52 F69 T72 L73 C92	Y44-F48 VanDerWaalsContact O-CB 3.3Å; Y44-F48 WeakPolarHBondContact O-CB 3.4Å; Y44-F48 PolarHBondContact O-N 3.38Å; G45-F48 PolarHBondContact O-N 2.77Å; T46-F48 VanDerWaalsContact C-N 3.32Å; T46-F48 PolarHBondContact O-N 2.94Å; F48-H50 PolarHBondContact O-N 3.18Å; F48-Y51 PolarHBondContact O-N 3.46Å; F48-L52 HydrophobicContact CD1-CD1 3.84Å; F48-L52 HydrophobicContact CD1-CG 4.24Å; F48-L52 HydrophobicContact CE1-CD1 3.41Å; F48-L52 VanDerWaalsContact CE1-CD1 3.41Å; F48-L52 HydrophobicContact CE1-CD2 4.3Å; F48-L52 HydrophobicContact CE1-CG 3.95Å; F48-L52 HydrophobicContact CE2-CD2 4.26Å; F48-L52 HydrophobicContact CE2-CG 4.39Å; F48-L52 HydrophobicContact CZ-CD1 3.88Å; F48-L52 HydrophobicContact CZ-CD2 3.9Å; F48-L52 HydrophobicContact CZ-CG 4.01Å; F48-L52 WeakPolarHBondContact O-CG 3.3Å; F48-L52 PolarHBondContact O-N 3.48Å; F48-F69 HydrophobicContact CD2-CD2 4.38Å; F48-F69 AromaticContact CD2-CE2 3.69Å; F48-F69 HydrophobicContact CD2-CE2 3.69Å; F48-F69 HydrophobicContact CD2-CZ 4.2Å; F48-F69 HydrophobicContact CE2-CD2 4.44Å; F48-F69 HydrophobicContact CE2-CE1 4.49Å; F48-F69 AromaticContact CE2-CE2 3.45Å; F48-F69 HydrophobicContact CE2-CE2 3.45Å; F48-F69 VanDerWaalsContact CE2-CE2 3.45Å; F48-F69 AromaticContact CE2-CZ 3.49Å; F48-F69 HydrophobicContact CE2-CZ 3.49Å; F48-F69 VanDerWaalsContact CE2-CZ 3.49Å; F48-F69 HydrophobicContact CZ-CE2 4.38Å; F48-F69 HydrophobicContact CZ-CZ 4.23Å; F48-T72 HydrophobicContact CB-CG2 4Å; F48-L73 HydrophobicContact CD2-CB 4.28Å; F48-L73 HydrophobicContact CD2-CD1 4.38Å; F48-L73 HydrophobicContact CE2-CB 4.07Å; F48-L73 HydrophobicContact CE2-CD1 3.67Å; F48-L73 HydrophobicContact CE2-CG 4.39Å; F48-L73 HydrophobicContact CZ-CD1 4.04Å; F48-C92 HydrophobicContact CE1-CB 3.89Å; F48-C92 HydrophobicContact CZ-CB 3.89Å
49	V	96.1	Very high	94	Very high	93 Å²	93	50.8 Å²	50.8	56%	0.564	28%	0.276	S	S	*	.	H	α-helix	trans	-60.6	-42.7	177.9	175.1	0	0	0	0	111.8	G45 T46 A47 L52 L53	G45-V49 WeakPolarHBondContact O-CG2 3.38Å; G45-V49 PolarHBondContact O-N 2.87Å; T46-V49 PolarHBondContact O-N 2.81Å; A47-V49 PolarHBondContact O-N 3.18Å; V49-L52 PolarHBondContact O-N 3.5Å; V49-L53 PolarHBondContact O-N 3.11Å
50	H	95.9	Very high	93.9	Very high	47 Å²	47	54.8 Å²	54.8	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-40.8	175.9	-79.8	-63.1	0	0	0	112.4	A35 T46 A47 F48 L53 V54	A35-H50 HydrophobicContact CB-CB 3.69Å; T46-H50 PolarHBondContact O-CD2 2.67Å; T46-H50 VanDerWaalsContact O-CD2 3.28Å; T46-H50 PolarHBondContact O-N 2.9Å; T46-H50 VanDerWaalsContact O-N 3.08Å; A47-H50 PolarHBondContact O-N 3.26Å; F48-H50 PolarHBondContact O-N 3.18Å; H50-L53 PolarHBondContact O-N 3.49Å; H50-V54 VanDerWaalsContact O-CG2 3.31Å; H50-V54 WeakPolarHBondContact O-CG2 3.47Å; H50-V54 PolarHBondContact O-N 2.71Å
51	Y	96.1	Very high	93.9	Very high	3 Å²	3	51 Å²	51	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-45.2	173.7	-81.1	-61.1	0	0	0	112.3	L32 A35 A47 F48 L53 V54 L55 A65 S68 F69 T72	L32-Y51 HydrophobicContact CD1-CD1 4.47Å; L32-Y51 HydrophobicContact CD1-CE1 4Å; A35-Y51 HydrophobicContact CB-CD1 4.11Å; A35-Y51 HydrophobicContact CB-CD2 3.95Å; A35-Y51 HydrophobicContact CB-CE1 4.02Å; A35-Y51 HydrophobicContact CB-CE2 3.87Å; A35-Y51 HydrophobicContact CB-CG 4.06Å; A47-Y51 VanDerWaalsContact O-CD2 3.23Å; A47-Y51 WeakPolarHBondContact O-CD2 3.33Å; A47-Y51 PolarHBondContact O-N 2.9Å; F48-Y51 PolarHBondContact O-N 3.46Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.82Å; Y51-V54 PolarHBondContact O-N 2.75Å; Y51-L55 WeakPolarHBondContact O-CB 3.45Å; Y51-L55 VanDerWaalsContact O-CG 3.23Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y51-L55 PolarHBondContact O-N 3.47Å; Y51-A65 HydrophobicContact CD1-CB 4.42Å; Y51-A65 HydrophobicContact CE1-CB 4.24Å; Y51-S68 WeakPolarHBondContact OH-CB 3.49Å; Y51-F69 VanDerWaalsContact CB-CD2 3.49Å; Y51-F69 HydrophobicContact CD2-CD2 4.45Å; Y51-F69 HydrophobicContact CG-CD2 4.07Å; Y51-T72 HydrophobicContact CD2-CG2 4.34Å; Y51-T72 WeakPolarHBondContact CE2-OG1 3.16Å
52	L	95.3	Very high	93.8	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-55.9	-44.5	175.9	-71.3	-179.3	0	0	0	111.3	F48 V49 N56 F69 Q95 I99	F48-L52 HydrophobicContact CD1-CD1 3.84Å; F48-L52 HydrophobicContact CD1-CG 4.24Å; F48-L52 HydrophobicContact CE1-CD1 3.41Å; F48-L52 VanDerWaalsContact CE1-CD1 3.41Å; F48-L52 HydrophobicContact CE1-CD2 4.3Å; F48-L52 HydrophobicContact CE1-CG 3.95Å; F48-L52 HydrophobicContact CE2-CD2 4.26Å; F48-L52 HydrophobicContact CE2-CG 4.39Å; F48-L52 HydrophobicContact CZ-CD1 3.88Å; F48-L52 HydrophobicContact CZ-CD2 3.9Å; F48-L52 HydrophobicContact CZ-CG 4.01Å; F48-L52 WeakPolarHBondContact O-CG 3.3Å; F48-L52 PolarHBondContact O-N 3.48Å; V49-L52 PolarHBondContact O-N 3.5Å; L52-N56 VanDerWaalsContact O-CB 3.3Å; L52-N56 WeakPolarHBondContact O-CB 3.39Å; L52-N56 PolarHBondContact O-N 3.22Å; L52-N56 PolarHBondContact O-ND2 2.8Å; L52-F69 HydrophobicContact CD2-CE2 3.82Å; L52-F69 HydrophobicContact CD2-CZ 3.75Å; L52-F69 HydrophobicContact CG-CE2 4.31Å; L52-Q95 HydrophobicContact CD1-CB 4.42Å; L52-Q95 HydrophobicContact CD2-CB 4.27Å; L52-I99 HydrophobicContact CD2-CD1 3.34Å
53	L	94.1	Very high	93.6	Very high	68 Å²	68	49 Å²	49	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-49.6	177.2	-179.9	64.5	0	0	0	111.5	V49 H50 Y51 N56 L57	V49-L53 PolarHBondContact O-N 3.11Å; H50-L53 PolarHBondContact O-N 3.49Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.82Å; L53-N56 PolarHBondContact O-N 3.21Å; L53-L57 HydrophobicContact CD1-CD1 3.62Å; L53-L57 HydrophobicContact CD1-CG 4.02Å; L53-L57 HydrophobicContact CG-CD1 3.93Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.24Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 2.7Å
54	V	94.3	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-47.5	179.7	167.5	0	0	0	0	111.1	V28 L32 H50 Y51 N56 L57 A58 F61	V28-V54 HydrophobicContact CG1-CG1 4.22Å; L32-V54 HydrophobicContact CB-CG2 4.13Å; L32-V54 HydrophobicContact CD1-CG1 4.39Å; H50-V54 VanDerWaalsContact O-CG2 3.31Å; H50-V54 WeakPolarHBondContact O-CG2 3.47Å; H50-V54 PolarHBondContact O-N 2.71Å; Y51-V54 PolarHBondContact O-N 2.75Å; V54-N56 PolarHBondContact O-N 3.24Å; V54-L57 PolarHBondContact O-N 3.4Å; V54-A58 WeakPolarHBondContact O-CA 3.47Å; V54-A58 PolarHBondContact O-N 3.46Å; V54-F61 HydrophobicContact CG1-CB 4.44Å; V54-F61 HydrophobicContact CG1-CD2 4.28Å
55	L	94	Very high	93.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-29.7	-174.6	-67.4	176.5	0	0	0	112.9	Y51 F61 K62 A65 F69 I99 F100	Y51-L55 WeakPolarHBondContact O-CB 3.45Å; Y51-L55 VanDerWaalsContact O-CG 3.23Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y51-L55 PolarHBondContact O-N 3.47Å; L55-F61 HydrophobicContact CD2-CB 4.37Å; L55-K62 HydrophobicContact CD2-CG 4.03Å; L55-A65 HydrophobicContact CD2-CB 4.2Å; L55-F69 HydrophobicContact CD1-CB 4.31Å; L55-F69 HydrophobicContact CD1-CD1 4.38Å; L55-F69 HydrophobicContact CD1-CD2 3.92Å; L55-F69 HydrophobicContact CD1-CE2 4.27Å; L55-F69 HydrophobicContact CD1-CG 3.94Å; L55-I99 HydrophobicContact CB-CD1 4.08Å; L55-I99 HydrophobicContact CB-CG2 3.92Å; L55-I99 HydrophobicContact CD1-CG2 4.12Å; L55-F100 HydrophobicContact CD1-CE2 3.66Å; L55-F100 HydrophobicContact CD1-CZ 3.88Å; L55-F100 HydrophobicContact CD2-CZ 4.46Å
56	N	92.1	Very high	92.9	Very high	109 Å²	109	53.5 Å²	53.5	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-74	-44.2	170.6	-82.1	-59.2	0	0	0	112.3	L52 L53 V54	L52-N56 VanDerWaalsContact O-CB 3.3Å; L52-N56 WeakPolarHBondContact O-CB 3.39Å; L52-N56 PolarHBondContact O-N 3.22Å; L52-N56 PolarHBondContact O-ND2 2.8Å; L53-N56 PolarHBondContact O-N 3.21Å; V54-N56 PolarHBondContact O-N 3.24Å
57	L	91.6	Very high	92.8	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-76.4	-25.9	-179.2	-70.4	-178.5	0	0	0	113.3	R24 L27 V28 L53 V54	R24-L57 PolarHBondContact NE-O 3.35Å; R24-L57 PolarHBondContact NH2-O 3.07Å; L27-L57 HydrophobicContact CD2-CD1 3.84Å; L27-L57 HydrophobicContact CG-CD1 4.41Å; V28-L57 HydrophobicContact CG2-CB 3.82Å; V28-L57 HydrophobicContact CG2-CD1 4.39Å; L53-L57 HydrophobicContact CD1-CD1 3.62Å; L53-L57 HydrophobicContact CD1-CG 4.02Å; L53-L57 HydrophobicContact CG-CD1 3.93Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.24Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 2.7Å; V54-L57 PolarHBondContact O-N 3.4Å
58	A	91.1	Very high	92.7	Very high	15 Å²	15	58.6 Å²	58.6	12%	0.124	31%	0.314	C	S	.	.			trans	-144.8	79.2	-177.6	0	0	0	0	0	111.2	V28 V54 V60 F61	V28-A58 HydrophobicContact CG1-CB 3.81Å; V28-A58 HydrophobicContact CG2-CB 3.95Å; V54-A58 WeakPolarHBondContact O-CA 3.47Å; V54-A58 PolarHBondContact O-N 3.46Å; A58-V60 HydrophobicContact CB-CG1 4.38Å; A58-V60 PolarHBondContact O-N 3.49Å; A58-F61 HydrophobicContact CB-CD2 3.6Å; A58-F61 HydrophobicContact CB-CE2 3.86Å; A58-F61 PolarHBondContact O-N 2.97Å
59	P	90.6	Very high	92.6	Very high	74 Å²	74	58.4 Å²	58.4	48%	0.481	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.9	-14.3	-179.6	-27.9	36.1	0	0	0	115.5	F61 K62	P59-F61 PolarHBondContact O-N 2.97Å; P59-K62 HydrophobicContact CB-CD 4.33Å; P59-K62 WeakPolarHBondContact O-CB 3.01Å; P59-K62 VanDerWaalsContact O-CG 3.31Å; P59-K62 WeakPolarHBondContact O-CG 3.28Å; P59-K62 PolarHBondContact O-N 3.31Å
60	V	89.6	Confident	92.6	Very high	118 Å²	118	55.5 Å²	55.5	72%	0.715	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.3	-23.1	174.4	66.7	0	0	0	0	112.8	A58	A58-V60 HydrophobicContact CB-CG1 4.38Å; A58-V60 PolarHBondContact O-N 3.49Å
61	F	90.6	Very high	92.6	Very high	68 Å²	68	58 Å²	58	30%	0.298	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-86.9	-2.4	178.6	-66.5	-69.6	0	0	0	113.9	V28 V54 L55 A58 P59 D63 F64 A65	V28-F61 HydrophobicContact CG1-CD2 4.02Å; V28-F61 HydrophobicContact CG1-CE2 3.57Å; V28-F61 HydrophobicContact CG1-CZ 4.49Å; V54-F61 HydrophobicContact CG1-CB 4.44Å; V54-F61 HydrophobicContact CG1-CD2 4.28Å; L55-F61 HydrophobicContact CD2-CB 4.37Å; A58-F61 HydrophobicContact CB-CD2 3.6Å; A58-F61 HydrophobicContact CB-CE2 3.86Å; A58-F61 PolarHBondContact O-N 2.97Å; P59-F61 PolarHBondContact O-N 2.97Å; F61-D63 PolarHBondContact O-N 3.2Å; F61-F64 PolarHBondContact O-N 3.11Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.41Å
62	K	91.5	Very high	92.6	Very high	57 Å²	57	57.9 Å²	57.9	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-54.3	-53.4	-177.4	-78.1	-175.7	179.7	-159.3	0	112.2	L55 P59 F64 A65 Q66 I99 F100	L55-K62 HydrophobicContact CD2-CG 4.03Å; P59-K62 HydrophobicContact CB-CD 4.33Å; P59-K62 WeakPolarHBondContact O-CB 3.01Å; P59-K62 VanDerWaalsContact O-CG 3.31Å; P59-K62 WeakPolarHBondContact O-CG 3.28Å; P59-K62 PolarHBondContact O-N 3.31Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 3.38Å; K62-A65 PolarHBondContact O-N 2.93Å; K62-Q66 WeakPolarHBondContact O-CB 3.11Å; K62-Q66 PolarHBondContact O-N 3.09Å; K62-I99 HydrophobicContact CD-CG2 4.37Å; K62-I99 HydrophobicContact CG-CG2 4.46Å; K62-I99 PolarHBondContact NZ-O 3.32Å; K62-F100 HydrophobicContact CB-CE1 3.76Å; K62-F100 HydrophobicContact CB-CZ 4.17Å; K62-F100 HydrophobicContact CD-CE1 4.43Å; K62-F100 HydrophobicContact CG-CE1 4.04Å; K62-F100 HydrophobicContact CG-CZ 4.19Å
63	D	89.1	Confident	92.7	Very high	146 Å²	146	57.1 Å²	57.1	78%	0.781	30%	0.298	S	S	*	.	H	α-helix	trans	-65	-33.7	-178.4	-56.9	-19.2	0	0	0	112.2	F61	F61-D63 PolarHBondContact O-N 3.2Å
64	F	89.6	Confident	92.7	Very high	146 Å²	146	56.2 Å²	56.2	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-75.5	-39.9	-179.3	176.2	-97.7	0	0	0	112.7	F61 K62	F61-F64 PolarHBondContact O-N 3.11Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 3.38Å
65	A	90.3	Very high	92.8	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-96.4	-1.7	-173.4	0	0	0	0	0	113.4	Y51 L55 F61 K62 D67 S68 F69	Y51-A65 HydrophobicContact CD1-CB 4.42Å; Y51-A65 HydrophobicContact CE1-CB 4.24Å; L55-A65 HydrophobicContact CD2-CB 4.2Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.41Å; K62-A65 PolarHBondContact O-N 2.93Å; A65-D67 PolarHBondContact O-N 3.07Å; A65-S68 PolarHBondContact O-N 3.16Å; A65-F69 VanDerWaalsContact O-CB 3.23Å; A65-F69 WeakPolarHBondContact O-CB 3.42Å; A65-F69 PolarHBondContact O-N 2.86Å
66	Q	91.9	Very high	92.9	Very high	51 Å²	51	61.5 Å²	61.5	24%	0.238	31%	0.313	C	S	.	.	H	α-helix	trans	-53.4	-51.8	-173.5	-172.9	174.4	15.5	0	0	112.6	K62 F69 R70 F100 D103	K62-Q66 WeakPolarHBondContact O-CB 3.11Å; K62-Q66 PolarHBondContact O-N 3.09Å; Q66-F69 PolarHBondContact O-N 3.07Å; Q66-R70 VanDerWaalsContact NE2-NH2 3.19Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 VanDerWaalsContact O-CG 3.31Å; Q66-R70 WeakPolarHBondContact O-CG 3.22Å; Q66-R70 PolarHBondContact O-N 3.05Å; Q66-F100 HydrophobicContact CB-CE1 4.21Å; Q66-F100 HydrophobicContact CB-CZ 4.39Å; Q66-F100 HydrophobicContact CG-CD1 4.44Å; Q66-F100 HydrophobicContact CG-CE1 4.08Å; Q66-F100 HydrophobicContact CG-CZ 4.45Å; Q66-D103 PolarHBondContact NE2-OD2 3.16Å
67	D	92.9	Very high	93	Very high	114 Å²	114	56.3 Å²	56.3	61%	0.61	29%	0.285	S	S	*	.	H	α-helix	trans	-68.8	-39.9	-176.5	-67.5	-28.8	0	0	0	112.5	A65 R70 F71	A65-D67 PolarHBondContact O-N 3.07Å; D67-R70 PolarHBondContact O-N 3.15Å; D67-R70 IonicContact OD1-NH1 2.64Å; D67-R70 PolarHBondContact OD1-NH1 3.08Å; D67-F71 WeakPolarHBondContact O-CB 3.35Å; D67-F71 PolarHBondContact O-N 3.47Å
68	S	92.8	Very high	93	Very high	51 Å²	51	58.8 Å²	58.8	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-40.1	175.6	-56.9	0	0	0	0	111.7	Y51 A65 F71 T72	Y51-S68 WeakPolarHBondContact OH-CB 3.49Å; A65-S68 PolarHBondContact O-N 3.16Å; S68-F71 PolarHBondContact O-N 3.35Å; S68-T72 WeakPolarHBondContact O-CB 3.34Å; S68-T72 PolarHBondContact O-N 2.87Å; S68-T72 PolarHBondContact O-OG1 2.84Å
69	F	95.4	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-45.9	175.5	178	-106.5	0	0	0	111.8	F48 Y51 L52 L55 A65 Q66 F71 T72 L73 A96 F100	F48-F69 HydrophobicContact CD2-CD2 4.38Å; F48-F69 AromaticContact CD2-CE2 3.69Å; F48-F69 HydrophobicContact CD2-CE2 3.69Å; F48-F69 HydrophobicContact CD2-CZ 4.2Å; F48-F69 HydrophobicContact CE2-CD2 4.44Å; F48-F69 HydrophobicContact CE2-CE1 4.49Å; F48-F69 AromaticContact CE2-CE2 3.45Å; F48-F69 HydrophobicContact CE2-CE2 3.45Å; F48-F69 VanDerWaalsContact CE2-CE2 3.45Å; F48-F69 AromaticContact CE2-CZ 3.49Å; F48-F69 HydrophobicContact CE2-CZ 3.49Å; F48-F69 VanDerWaalsContact CE2-CZ 3.49Å; F48-F69 HydrophobicContact CZ-CE2 4.38Å; F48-F69 HydrophobicContact CZ-CZ 4.23Å; Y51-F69 VanDerWaalsContact CB-CD2 3.49Å; Y51-F69 HydrophobicContact CD2-CD2 4.45Å; Y51-F69 HydrophobicContact CG-CD2 4.07Å; L52-F69 HydrophobicContact CD2-CE2 3.82Å; L52-F69 HydrophobicContact CD2-CZ 3.75Å; L52-F69 HydrophobicContact CG-CE2 4.31Å; L55-F69 HydrophobicContact CD1-CB 4.31Å; L55-F69 HydrophobicContact CD1-CD1 4.38Å; L55-F69 HydrophobicContact CD1-CD2 3.92Å; L55-F69 HydrophobicContact CD1-CE2 4.27Å; L55-F69 HydrophobicContact CD1-CG 3.94Å; A65-F69 VanDerWaalsContact O-CB 3.23Å; A65-F69 WeakPolarHBondContact O-CB 3.42Å; A65-F69 PolarHBondContact O-N 2.86Å; Q66-F69 PolarHBondContact O-N 3.07Å; F69-F71 PolarHBondContact O-N 2.9Å; F69-T72 PolarHBondContact O-N 2.66Å; F69-L73 WeakPolarHBondContact O-CB 3.12Å; F69-L73 PolarHBondContact O-N 2.97Å; F69-A96 HydrophobicContact CE1-CB 3.75Å; F69-A96 HydrophobicContact CZ-CB 3.93Å; F69-F100 AromaticContact CD1-CD2 3.85Å; F69-F100 HydrophobicContact CD1-CD2 3.85Å; F69-F100 AromaticContact CD1-CE2 3.41Å; F69-F100 HydrophobicContact CD1-CE2 3.41Å; F69-F100 VanDerWaalsContact CD1-CE2 3.41Å; F69-F100 HydrophobicContact CD1-CZ 4.45Å; F69-F100 AromaticContact CE1-CD2 3.8Å; F69-F100 HydrophobicContact CE1-CD2 3.8Å; F69-F100 AromaticContact CE1-CE2 3.72Å; F69-F100 HydrophobicContact CE1-CE2 3.72Å; F69-F100 HydrophobicContact CG-CE2 4.13Å
70	R	95.7	Very high	93.2	Very high	32 Å²	32	58 Å²	58	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-49.7	174.2	-77.5	169.9	171.6	177.2	-11.7	111.2	Q66 D67 T72 L73 F74 D103 E104 I106	Q66-R70 VanDerWaalsContact NE2-NH2 3.19Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 VanDerWaalsContact O-CG 3.31Å; Q66-R70 WeakPolarHBondContact O-CG 3.22Å; Q66-R70 PolarHBondContact O-N 3.05Å; D67-R70 PolarHBondContact O-N 3.15Å; D67-R70 IonicContact OD1-NH1 2.64Å; D67-R70 PolarHBondContact OD1-NH1 3.08Å; R70-T72 PolarHBondContact O-N 2.98Å; R70-L73 PolarHBondContact O-N 2.97Å; R70-F74 HydrophobicContact CB-CE2 4.12Å; R70-F74 HydrophobicContact CB-CZ 4.26Å; R70-F74 WeakPolarHBondContact O-CD2 3.41Å; R70-F74 WeakPolarHBondContact O-CG 3.23Å; R70-F74 PolarHBondContact O-N 2.81Å; R70-D103 IonicContact CZ-OD1 3.53Å; R70-D103 VanDerWaalsContact CZ-OD1 3.32Å; R70-D103 IonicContact CZ-OD2 2.67Å; R70-D103 VanDerWaalsContact NE-CG 3.33Å; R70-D103 IonicContact NE-OD1 3.11Å; R70-D103 PolarHBondContact NE-OD1 3.35Å; R70-D103 VanDerWaalsContact NE-OD1 3.11Å; R70-D103 IonicContact NE-OD2 3.52Å; R70-D103 PolarHBondContact NE-OD2 3.06Å; R70-D103 IonicContact NH2-OD1 3.51Å; R70-D103 PolarHBondContact NH2-OD1 2.8Å; R70-D103 IonicContact NH2-OD2 2.71Å; R70-D103 PolarHBondContact NH2-OD2 2.84Å; R70-E104 IonicContact NH2-OE2 2.68Å; R70-I106 HydrophobicContact CG-CD1 4.2Å; R70-I106 HydrophobicContact CG-CG1 4.11Å
71	F	95.3	Very high	93.2	Very high	100 Å²	100	54.2 Å²	54.2	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-46	178.3	177.4	-93.8	0	0	0	111.9	L39 Y44 D67 S68 F69 F74 K75	L39-F71 HydrophobicContact CD1-CD1 3.9Å; L39-F71 HydrophobicContact CD1-CE1 3.87Å; L39-F71 HydrophobicContact CD2-CD1 4.39Å; Y44-F71 HydrophobicContact CE1-CE1 4.13Å; D67-F71 WeakPolarHBondContact O-CB 3.35Å; D67-F71 PolarHBondContact O-N 3.47Å; S68-F71 PolarHBondContact O-N 3.35Å; F69-F71 PolarHBondContact O-N 2.9Å; F71-F74 PolarHBondContact O-N 3.5Å; F71-K75 HydrophobicContact CD1-CG 4.49Å; F71-K75 HydrophobicContact CE1-CG 4.05Å; F71-K75 HydrophobicContact CE2-CG 4.21Å; F71-K75 HydrophobicContact CZ-CD 4.48Å; F71-K75 HydrophobicContact CZ-CG 3.89Å; F71-K75 WeakPolarHBondContact O-CG 3.4Å; F71-K75 PolarHBondContact O-N 3.29Å
72	T	96.5	Very high	92.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-44.8	176.3	-58.8	0	0	0	0	112.1	L39 Y44 A47 F48 Y51 S68 F69 R70 F74 K75 W76	L39-T72 WeakPolarHBondContact CD1-OG1 3.02Å; Y44-T72 WeakPolarHBondContact O-CG2 3.33Å; A47-T72 HydrophobicContact CB-CG2 3.68Å; F48-T72 HydrophobicContact CB-CG2 4Å; Y51-T72 HydrophobicContact CD2-CG2 4.34Å; Y51-T72 WeakPolarHBondContact CE2-OG1 3.16Å; S68-T72 WeakPolarHBondContact O-CB 3.34Å; S68-T72 PolarHBondContact O-N 2.87Å; S68-T72 PolarHBondContact O-OG1 2.84Å; F69-T72 PolarHBondContact O-N 2.66Å; R70-T72 PolarHBondContact O-N 2.98Å; T72-F74 PolarHBondContact O-N 2.83Å; T72-K75 PolarHBondContact O-N 2.88Å; T72-W76 VanDerWaalsContact O-CB 3.3Å; T72-W76 WeakPolarHBondContact O-CB 3.26Å; T72-W76 PolarHBondContact O-N 3.31Å
73	L	97.2	Very high	92.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-48.7	176.3	170.4	64.6	0	0	0	111.3	F48 F69 R70 W76 A77 C92 Y93 A96 I106	F48-L73 HydrophobicContact CD2-CB 4.28Å; F48-L73 HydrophobicContact CD2-CD1 4.38Å; F48-L73 HydrophobicContact CE2-CB 4.07Å; F48-L73 HydrophobicContact CE2-CD1 3.67Å; F48-L73 HydrophobicContact CE2-CG 4.39Å; F48-L73 HydrophobicContact CZ-CD1 4.04Å; F69-L73 WeakPolarHBondContact O-CB 3.12Å; F69-L73 PolarHBondContact O-N 2.97Å; R70-L73 PolarHBondContact O-N 2.97Å; L73-W76 PolarHBondContact O-N 2.79Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 3.01Å; L73-C92 HydrophobicContact CD1-CB 3.85Å; L73-Y93 HydrophobicContact CD1-CD1 4.47Å; L73-Y93 HydrophobicContact CD2-CD1 4.03Å; L73-Y93 HydrophobicContact CD2-CE1 4.08Å; L73-Y93 HydrophobicContact CG-CE1 4.31Å; L73-A96 HydrophobicContact CD1-CB 4.43Å; L73-A96 HydrophobicContact CD2-CB 3.55Å; L73-I106 HydrophobicContact CD2-CD1 4.31Å; L73-I106 HydrophobicContact CD2-CG1 4.19Å; L73-I106 HydrophobicContact CD2-CG2 4.06Å
74	F	95.6	Very high	92.9	Very high	49 Å²	49	53 Å²	53	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-39.6	-176.8	-59.1	-22.9	0	0	0	112	R70 F71 T72 A77 E78 Y93 V105 I106 S109	R70-F74 HydrophobicContact CB-CE2 4.12Å; R70-F74 HydrophobicContact CB-CZ 4.26Å; R70-F74 WeakPolarHBondContact O-CD2 3.41Å; R70-F74 WeakPolarHBondContact O-CG 3.23Å; R70-F74 PolarHBondContact O-N 2.81Å; F71-F74 PolarHBondContact O-N 3.5Å; T72-F74 PolarHBondContact O-N 2.83Å; F74-A77 PolarHBondContact O-N 2.83Å; F74-E78 WeakPolarHBondContact O-CG 3.18Å; F74-E78 PolarHBondContact O-N 2.86Å; F74-Y93 HydrophobicContact CD1-CE1 4.39Å; F74-Y93 HydrophobicContact CE1-CE1 4.27Å; F74-V105 HydrophobicContact CE2-CG1 3.93Å; F74-V105 HydrophobicContact CZ-CG1 3.82Å; F74-I106 HydrophobicContact CE1-CG1 4.47Å; F74-I106 HydrophobicContact CZ-CG1 4.44Å; F74-S109 WeakPolarHBondContact CE1-OG 3.26Å; F74-S109 WeakPolarHBondContact CZ-OG 3.08Å
75	K	95.1	Very high	93.1	Very high	62 Å²	62	51.3 Å²	51.3	27%	0.27	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-40.8	174.6	-72	-69.9	161.6	-150.8	0	112.6	Y44 F71 T72 E78 E79	Y44-K75 HydrophobicContact CD1-CB 3.48Å; Y44-K75 VanDerWaalsContact CD1-CB 3.48Å; Y44-K75 HydrophobicContact CD1-CG 4.16Å; Y44-K75 HydrophobicContact CD2-CB 3.84Å; Y44-K75 HydrophobicContact CE1-CB 3.6Å; Y44-K75 HydrophobicContact CE1-CG 3.78Å; Y44-K75 HydrophobicContact CE2-CB 3.94Å; Y44-K75 HydrophobicContact CE2-CG 4.48Å; Y44-K75 HydrophobicContact CG-CB 3.6Å; F71-K75 HydrophobicContact CD1-CG 4.49Å; F71-K75 HydrophobicContact CE1-CG 4.05Å; F71-K75 HydrophobicContact CE2-CG 4.21Å; F71-K75 HydrophobicContact CZ-CD 4.48Å; F71-K75 HydrophobicContact CZ-CG 3.89Å; F71-K75 WeakPolarHBondContact O-CG 3.4Å; F71-K75 PolarHBondContact O-N 3.29Å; T72-K75 PolarHBondContact O-N 2.88Å; K75-E78 IonicContact NZ-OE1 3.32Å; K75-E78 IonicContact NZ-OE2 3.15Å; K75-E78 PolarHBondContact NZ-OE2 3.35Å; K75-E78 PolarHBondContact O-N 3.34Å; K75-E79 PolarHBondContact O-N 3.14Å; K75-E79 VanDerWaalsContact O-N 3.1Å
76	W	96.2	Very high	93.1	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.186	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-38.9	175.4	-174.2	-129.9	0	0	0	112.3	T72 L73 E79 L80	T72-W76 VanDerWaalsContact O-CB 3.3Å; T72-W76 WeakPolarHBondContact O-CB 3.26Å; T72-W76 PolarHBondContact O-N 3.31Å; L73-W76 PolarHBondContact O-N 2.79Å; W76-E79 HydrophobicContact CE3-CB 4.05Å; W76-E79 VanDerWaalsContact CE3-OE2 3.22Å; W76-E79 HydrophobicContact CZ3-CB 4.21Å; W76-E79 VanDerWaalsContact CZ3-OE2 3.22Å; W76-E79 WeakPolarHBondContact CZ3-OE2 3.3Å; W76-E79 PolarHBondContact O-N 2.93Å; W76-L80 HydrophobicContact CD2-CD1 4.34Å; W76-L80 HydrophobicContact CD2-CG 4.2Å; W76-L80 HydrophobicContact CG-CD1 4.38Å; W76-L80 HydrophobicContact CH2-CD2 4.12Å; W76-L80 HydrophobicContact CH2-CG 4.49Å; W76-L80 HydrophobicContact CZ2-CD1 4.29Å; W76-L80 HydrophobicContact CZ2-CD2 3.68Å; W76-L80 HydrophobicContact CZ2-CG 3.99Å; W76-L80 WeakPolarHBondContact O-CG 3.5Å; W76-L80 PolarHBondContact O-N 3.42Å
77	A	95.1	Very high	93.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-43.5	174.5	0	0	0	0	0	111.9	L73 F74 E79 L80 D81 L89 Y93	L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 3.01Å; F74-A77 PolarHBondContact O-N 2.83Å; A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 2.85Å; A77-L80 PolarHBondContact O-N 3.45Å; A77-D81 VanDerWaalsContact O-CB 3.31Å; A77-D81 WeakPolarHBondContact O-CB 3.01Å; A77-D81 PolarHBondContact O-N 2.84Å; A77-L89 HydrophobicContact CB-CD1 4.36Å; A77-L89 HydrophobicContact CB-CG 4.25Å; A77-L89 WeakPolarHBondContact O-CD1 3.45Å; A77-Y93 HydrophobicContact CB-CE2 4.11Å
78	E	90.6	Very high	93.3	Very high	101 Å²	101	55.1 Å²	55.1	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-43.4	173.6	-76.2	172.2	-174.7	0	0	111.7	F74 K75 S82	F74-E78 WeakPolarHBondContact O-CG 3.18Å; F74-E78 PolarHBondContact O-N 2.86Å; K75-E78 IonicContact NZ-OE1 3.32Å; K75-E78 IonicContact NZ-OE2 3.15Å; K75-E78 PolarHBondContact NZ-OE2 3.35Å; K75-E78 PolarHBondContact O-N 3.34Å; E78-S82 PolarHBondContact O-N 3.09Å
79	E	93.6	Very high	93.5	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.341	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-46.7	176.9	-73.8	-176.2	176.8	0	0	112.1	Y44 K75 W76 A77 D81 S82 V83	Y44-E79 WeakPolarHBondContact CD2-OE1 3.23Å; Y44-E79 WeakPolarHBondContact CE2-OE1 3.33Å; K75-E79 PolarHBondContact O-N 3.14Å; K75-E79 VanDerWaalsContact O-N 3.1Å; W76-E79 HydrophobicContact CE3-CB 4.05Å; W76-E79 VanDerWaalsContact CE3-OE2 3.22Å; W76-E79 HydrophobicContact CZ3-CB 4.21Å; W76-E79 VanDerWaalsContact CZ3-OE2 3.22Å; W76-E79 WeakPolarHBondContact CZ3-OE2 3.3Å; W76-E79 PolarHBondContact O-N 2.93Å; A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 2.85Å; E79-D81 VanDerWaalsContact C-N 3.32Å; E79-D81 PolarHBondContact O-N 3.5Å; E79-S82 PolarHBondContact O-N 2.59Å; E79-S82 PolarHBondContact O-OG 2.88Å; E79-V83 WeakPolarHBondContact O-CG2 3.48Å; E79-V83 PolarHBondContact O-N 2.83Å
80	L	93.2	Very high	93.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-39.8	178.1	-72.9	173.6	0	0	0	112.6	W76 A77 V83 G84 R85 E88 L89	W76-L80 HydrophobicContact CD2-CD1 4.34Å; W76-L80 HydrophobicContact CD2-CG 4.2Å; W76-L80 HydrophobicContact CG-CD1 4.38Å; W76-L80 HydrophobicContact CH2-CD2 4.12Å; W76-L80 HydrophobicContact CH2-CG 4.49Å; W76-L80 HydrophobicContact CZ2-CD1 4.29Å; W76-L80 HydrophobicContact CZ2-CD2 3.68Å; W76-L80 HydrophobicContact CZ2-CG 3.99Å; W76-L80 WeakPolarHBondContact O-CG 3.5Å; W76-L80 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 3.45Å; L80-V83 WeakPolarHBondContact O-CG2 3.3Å; L80-V83 PolarHBondContact O-N 2.94Å; L80-G84 PolarHBondContact O-N 2.93Å; L80-R85 HydrophobicContact CB-CB 4.46Å; L80-R85 HydrophobicContact CD2-CB 3.8Å; L80-R85 PolarHBondContact O-N 3.49Å; L80-E88 HydrophobicContact CD1-CB 4.21Å; L80-E88 HydrophobicContact CD2-CB 4.28Å; L80-L89 HydrophobicContact CB-CB 4.06Å; L80-L89 HydrophobicContact CB-CD1 4.43Å; L80-L89 HydrophobicContact CD1-CB 4.19Å
81	D	88.1	Confident	93.5	Very high	37 Å²	37	55 Å²	55	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-45.2	175.6	-164.8	29.9	0	0	0	110.6	A77 E79 V83 G84 L89 R116 M117	A77-D81 VanDerWaalsContact O-CB 3.31Å; A77-D81 WeakPolarHBondContact O-CB 3.01Å; A77-D81 PolarHBondContact O-N 2.84Å; E79-D81 VanDerWaalsContact C-N 3.32Å; E79-D81 PolarHBondContact O-N 3.5Å; D81-V83 PolarHBondContact O-N 2.76Å; D81-G84 PolarHBondContact O-N 2.94Å; D81-L89 HydrophobicContact CB-CD1 3.75Å; D81-R116 IonicContact OD2-CZ 3.12Å; D81-R116 VanDerWaalsContact OD2-CZ 3.24Å; D81-R116 IonicContact OD2-NH1 2.71Å; D81-R116 PolarHBondContact OD2-NH1 2.94Å; D81-R116 IonicContact OD2-NH2 2.68Å; D81-R116 PolarHBondContact OD2-NH2 3.5Å; D81-M117 VanDerWaalsContact OD1-CE 3.23Å; D81-M117 WeakPolarHBondContact OD1-CE 3.44Å
82	S	86.2	Confident	93.6	Very high	98 Å²	98	50.6 Å²	50.6	69%	0.685	26%	0.264	S	S	*	.	H	α-helix	trans	-62.4	-27	179.7	77.6	0	0	0	0	114.3	E78 E79	E78-S82 PolarHBondContact O-N 3.09Å; E79-S82 PolarHBondContact O-N 2.59Å; E79-S82 PolarHBondContact O-OG 2.88Å
83	V	91.4	Very high	93.6	Very high	94 Å²	94	50.7 Å²	50.7	57%	0.57	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	6.6	177	-59.5	0	0	0	0	113	E79 L80 D81 R85	E79-V83 WeakPolarHBondContact O-CG2 3.48Å; E79-V83 PolarHBondContact O-N 2.83Å; L80-V83 WeakPolarHBondContact O-CG2 3.3Å; L80-V83 PolarHBondContact O-N 2.94Å; D81-V83 PolarHBondContact O-N 2.76Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 HydrophobicContact CG2-CB 4.06Å; V83-R85 HydrophobicContact CG2-CG 3.73Å; V83-R85 PolarHBondContact O-N 3.03Å
84	G	88.8	Confident	93.6	Very high	53 Å²	53	55.7 Å²	55.7	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	19.7	178.7	0	0	0	0	0	115	L80 D81 I86	L80-G84 PolarHBondContact O-N 2.93Å; D81-G84 PolarHBondContact O-N 2.94Å; G84-I86 PolarHBondContact O-N 3.2Å
85	R	92.8	Very high	93.7	Very high	111 Å²	111	57.1 Å²	57.1	42%	0.419	30%	0.295	S	S	.	.			trans	-85.9	61	178.8	-70.5	175.1	79.1	-171.4	10.8	111.3	L80 V83 Q87 E88 L89	L80-R85 HydrophobicContact CB-CB 4.46Å; L80-R85 HydrophobicContact CD2-CB 3.8Å; L80-R85 PolarHBondContact O-N 3.49Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 HydrophobicContact CG2-CB 4.06Å; V83-R85 HydrophobicContact CG2-CG 3.73Å; V83-R85 PolarHBondContact O-N 3.03Å; R85-Q87 PolarHBondContact O-N 3.31Å; R85-E88 IonicContact CZ-OE1 2.94Å; R85-E88 IonicContact CZ-OE2 3.22Å; R85-E88 VanDerWaalsContact NE-CD 3.33Å; R85-E88 IonicContact NE-OE1 3.11Å; R85-E88 PolarHBondContact NE-OE1 3.37Å; R85-E88 IonicContact NE-OE2 3.89Å; R85-E88 PolarHBondContact NE-OE2 3.47Å; R85-E88 IonicContact NH1-OE2 3.86Å; R85-E88 IonicContact NH2-OE1 2.76Å; R85-E88 PolarHBondContact NH2-OE1 3.35Å; R85-E88 IonicContact NH2-OE2 2.78Å; R85-E88 PolarHBondContact NH2-OE2 3.37Å; R85-E88 PolarHBondContact O-N 2.79Å; R85-L89 PolarHBondContact O-N 3.5Å
86	I	91.7	Very high	93.7	Very high	46 Å²	46	54.2 Å²	54.2	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-37.6	-169.3	-54.5	-50.5	0	0	0	113.4	G84 E88 L89 F90 M117	G84-I86 PolarHBondContact O-N 3.2Å; I86-E88 PolarHBondContact O-N 2.89Å; I86-L89 WeakPolarHBondContact O-CB 3.38Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-F90 HydrophobicContact CG2-CD2 3.81Å; I86-F90 HydrophobicContact CG2-CE2 3.41Å; I86-F90 VanDerWaalsContact CG2-CE2 3.41Å; I86-F90 HydrophobicContact CG2-CZ 4.41Å; I86-F90 VanDerWaalsContact O-CD2 3.3Å; I86-F90 WeakPolarHBondContact O-CD2 3.47Å; I86-F90 PolarHBondContact O-N 3.4Å; I86-F90 VanDerWaalsContact O-N 3.17Å; I86-M117 HydrophobicContact CD1-CE 3.64Å; I86-M117 HydrophobicContact CD1-SD 4.23Å; I86-M117 HydrophobicContact CG1-CE 4.47Å; I86-M117 HydrophobicContact CG1-SD 4.44Å; I86-M117 HydrophobicContact CG2-SD 4.42Å
87	Q	93.7	Very high	93.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-62.1	-47.7	178.9	-175.9	59.9	50.7	0	0	111.4	R85 L89 F90 D91	R85-Q87 PolarHBondContact O-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.42Å; Q87-F90 PolarHBondContact O-N 2.92Å; Q87-F90 VanDerWaalsContact O-N 3.17Å; Q87-D91 PolarHBondContact NE2-OD1 3.48Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 3.39Å
88	E	95.1	Very high	93.8	Very high	73 Å²	73	60.4 Å²	60.4	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-31.2	-179.6	-66.9	179.1	-127.4	0	0	112.1	L80 R85 I86 D91 C92	L80-E88 HydrophobicContact CD1-CB 4.21Å; L80-E88 HydrophobicContact CD2-CB 4.28Å; R85-E88 IonicContact CZ-OE1 2.94Å; R85-E88 IonicContact CZ-OE2 3.22Å; R85-E88 VanDerWaalsContact NE-CD 3.33Å; R85-E88 IonicContact NE-OE1 3.11Å; R85-E88 PolarHBondContact NE-OE1 3.37Å; R85-E88 IonicContact NE-OE2 3.89Å; R85-E88 PolarHBondContact NE-OE2 3.47Å; R85-E88 IonicContact NH1-OE2 3.86Å; R85-E88 IonicContact NH2-OE1 2.76Å; R85-E88 PolarHBondContact NH2-OE1 3.35Å; R85-E88 IonicContact NH2-OE2 2.78Å; R85-E88 PolarHBondContact NH2-OE2 3.37Å; R85-E88 PolarHBondContact O-N 2.79Å; I86-E88 PolarHBondContact O-N 2.89Å; E88-D91 PolarHBondContact O-N 3.39Å; E88-C92 PolarHBondContact O-N 3Å; E88-C92 PolarHBondContact O-SG 3.2Å
89	L	95.9	Very high	93.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-47	173.7	177.1	156.9	0	0	0	110.8	A77 L80 D81 R85 I86 Q87 C92 Y93 H113	A77-L89 HydrophobicContact CB-CD1 4.36Å; A77-L89 HydrophobicContact CB-CG 4.25Å; A77-L89 WeakPolarHBondContact O-CD1 3.45Å; L80-L89 HydrophobicContact CB-CB 4.06Å; L80-L89 HydrophobicContact CB-CD1 4.43Å; L80-L89 HydrophobicContact CD1-CB 4.19Å; D81-L89 HydrophobicContact CB-CD1 3.75Å; R85-L89 PolarHBondContact O-N 3.5Å; I86-L89 WeakPolarHBondContact O-CB 3.38Å; I86-L89 PolarHBondContact O-N 2.97Å; Q87-L89 PolarHBondContact O-N 3.42Å; L89-C92 WeakPolarHBondContact O-CB 3.45Å; L89-C92 PolarHBondContact O-N 2.69Å; L89-Y93 HydrophobicContact CD2-CD2 3.78Å; L89-Y93 HydrophobicContact CD2-CE2 3.62Å; L89-Y93 HydrophobicContact CG-CD2 4.48Å; L89-Y93 HydrophobicContact CG-CE2 4.17Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 2.77Å; L89-H113 HydrophobicContact CD2-CB 4.21Å
90	F	95.4	Very high	94	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.101	28%	0.28	C	S	.	.	H	α-helix	trans	-70	-38.1	177.1	-70	-56.3	0	0	0	112.4	I86 Q87 C92 Y93 E94 M110 H113 L114 M117	I86-F90 HydrophobicContact CG2-CD2 3.81Å; I86-F90 HydrophobicContact CG2-CE2 3.41Å; I86-F90 VanDerWaalsContact CG2-CE2 3.41Å; I86-F90 HydrophobicContact CG2-CZ 4.41Å; I86-F90 VanDerWaalsContact O-CD2 3.3Å; I86-F90 WeakPolarHBondContact O-CD2 3.47Å; I86-F90 PolarHBondContact O-N 3.4Å; I86-F90 VanDerWaalsContact O-N 3.17Å; Q87-F90 PolarHBondContact O-N 2.92Å; Q87-F90 VanDerWaalsContact O-N 3.17Å; F90-C92 PolarHBondContact O-N 2.98Å; F90-Y93 HydrophobicContact CD1-CD2 4.5Å; F90-Y93 PolarHBondContact O-N 2.98Å; F90-Y93 VanDerWaalsContact O-N 3.07Å; F90-E94 WeakPolarHBondContact O-CG 3.42Å; F90-E94 PolarHBondContact O-N 2.97Å; F90-M110 HydrophobicContact CD1-CE 4.45Å; F90-H113 HydrophobicContact CE1-CB 4.16Å; F90-L114 HydrophobicContact CD1-CD2 4.32Å; F90-L114 HydrophobicContact CE1-CD2 3.59Å; F90-L114 HydrophobicContact CE1-CG 3.71Å; F90-L114 HydrophobicContact CE2-CD2 4.46Å; F90-L114 HydrophobicContact CZ-CD2 3.67Å; F90-L114 HydrophobicContact CZ-CG 4.12Å; F90-M117 HydrophobicContact CZ-CG 4.35Å
91	D	96	Very high	94	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-37.1	173.5	-62.5	-12.7	0	0	0	111.3	Q87 E88 Q95	Q87-D91 PolarHBondContact NE2-OD1 3.48Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 3.39Å; E88-D91 PolarHBondContact O-N 3.39Å; D91-Q95 WeakPolarHBondContact O-CB 3.3Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.5Å; D91-Q95 PolarHBondContact O-NE2 2.89Å
92	C	96.9	Very high	94.3	Very high	9 Å²	9	59 Å²	59	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-43.4	175.3	-69.3	0	0	0	0	112	F48 L73 E88 L89 F90 A96	F48-C92 HydrophobicContact CE1-CB 3.89Å; F48-C92 HydrophobicContact CZ-CB 3.89Å; L73-C92 HydrophobicContact CD1-CB 3.85Å; E88-C92 PolarHBondContact O-N 3Å; E88-C92 PolarHBondContact O-SG 3.2Å; L89-C92 WeakPolarHBondContact O-CB 3.45Å; L89-C92 PolarHBondContact O-N 2.69Å; F90-C92 PolarHBondContact O-N 2.98Å; C92-A96 VanDerWaalsContact O-CB 3.27Å; C92-A96 WeakPolarHBondContact O-CB 2.96Å; C92-A96 PolarHBondContact O-N 2.85Å
93	Y	97.4	Very high	94.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.4	-79.8	-64.2	0	0	0	112.2	L73 F74 A77 L89 F90 A96 L97 I106 M110 H113	L73-Y93 HydrophobicContact CD1-CD1 4.47Å; L73-Y93 HydrophobicContact CD2-CD1 4.03Å; L73-Y93 HydrophobicContact CD2-CE1 4.08Å; L73-Y93 HydrophobicContact CG-CE1 4.31Å; F74-Y93 HydrophobicContact CD1-CE1 4.39Å; F74-Y93 HydrophobicContact CE1-CE1 4.27Å; A77-Y93 HydrophobicContact CB-CE2 4.11Å; L89-Y93 HydrophobicContact CD2-CD2 3.78Å; L89-Y93 HydrophobicContact CD2-CE2 3.62Å; L89-Y93 HydrophobicContact CG-CD2 4.48Å; L89-Y93 HydrophobicContact CG-CE2 4.17Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 2.77Å; F90-Y93 HydrophobicContact CD1-CD2 4.5Å; F90-Y93 PolarHBondContact O-N 2.98Å; F90-Y93 VanDerWaalsContact O-N 3.07Å; Y93-A96 WeakPolarHBondContact O-CB 3.44Å; Y93-A96 PolarHBondContact O-N 3.05Å; Y93-L97 WeakPolarHBondContact O-CB 3.24Å; Y93-L97 WeakPolarHBondContact O-CG 3.49Å; Y93-L97 PolarHBondContact O-N 3.06Å; Y93-I106 HydrophobicContact CD1-CG2 4Å; Y93-M110 HydrophobicContact CD1-CB 3.9Å; Y93-M110 HydrophobicContact CD2-CB 4.39Å; Y93-M110 HydrophobicContact CD2-CG 4.38Å; Y93-M110 HydrophobicContact CE1-CB 4.37Å; Y93-M110 HydrophobicContact CG-CB 3.92Å; Y93-M110 HydrophobicContact CG-CG 4.07Å; Y93-H113 HydrophobicContact CE2-CB 4.44Å; Y93-H113 AromaticContact CE2-CG 3.98Å; Y93-H113 AromaticContact CE2-ND1 3.91Å; Y93-H113 AromaticContact CZ-ND1 3.83Å; Y93-H113 PolarHBondContact OH-CE1 3.3Å; Y93-H113 PolarHBondContact OH-ND1 3.48Å; Y93-H113 VanDerWaalsContact OH-ND1 3.15Å
94	E	97	Very high	94.9	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-50.3	176.7	-71.7	-176.9	170.4	0	0	111.1	F90 A96 L97 E98 M110	F90-E94 WeakPolarHBondContact O-CG 3.42Å; F90-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.26Å; E94-A96 PolarHBondContact O-N 2.92Å; E94-L97 CarbonylContact O-C 3.43Å; E94-L97 PolarHBondContact O-N 3.46Å; E94-L97 VanDerWaalsContact O-N 3.11Å; E94-E98 WeakPolarHBondContact O-CG 3.23Å; E94-E98 PolarHBondContact O-N 3.02Å; E94-M110 HydrophobicContact CG-CE 4.46Å
95	Q	96.9	Very high	95.3	Very high	79 Å²	79	51 Å²	51	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-38.2	175.7	-72.4	171	52.6	0	0	112.1	L52 D91 E98 I99	L52-Q95 HydrophobicContact CD1-CB 4.42Å; L52-Q95 HydrophobicContact CD2-CB 4.27Å; D91-Q95 WeakPolarHBondContact O-CB 3.3Å; D91-Q95 WeakPolarHBondContact O-CG 3.48Å; D91-Q95 PolarHBondContact O-N 3.5Å; D91-Q95 PolarHBondContact O-NE2 2.89Å; Q95-E98 PolarHBondContact O-N 2.87Å; Q95-I99 WeakPolarHBondContact O-CG1 3.24Å; Q95-I99 PolarHBondContact O-N 2.84Å
96	A	96.4	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-41.7	176	0	0	0	0	0	112.1	F69 L73 C92 Y93 E94 I99 F100 I106	F69-A96 HydrophobicContact CE1-CB 3.75Å; F69-A96 HydrophobicContact CZ-CB 3.93Å; L73-A96 HydrophobicContact CD1-CB 4.43Å; L73-A96 HydrophobicContact CD2-CB 3.55Å; C92-A96 VanDerWaalsContact O-CB 3.27Å; C92-A96 WeakPolarHBondContact O-CB 2.96Å; C92-A96 PolarHBondContact O-N 2.85Å; Y93-A96 WeakPolarHBondContact O-CB 3.44Å; Y93-A96 PolarHBondContact O-N 3.05Å; E94-A96 VanDerWaalsContact C-N 3.26Å; E94-A96 PolarHBondContact O-N 2.92Å; A96-I99 PolarHBondContact O-N 2.97Å; A96-F100 PolarHBondContact O-N 3.09Å; A96-I106 HydrophobicContact CB-CD1 4.26Å; A96-I106 HydrophobicContact CB-CG2 4.2Å
97	L	96.3	Very high	95.7	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-72.9	-25.2	177	-70.8	172.8	0	0	0	113	Y93 E94 I99 F100 P101 I106 L107 M110	Y93-L97 WeakPolarHBondContact O-CB 3.24Å; Y93-L97 WeakPolarHBondContact O-CG 3.49Å; Y93-L97 PolarHBondContact O-N 3.06Å; E94-L97 CarbonylContact O-C 3.43Å; E94-L97 PolarHBondContact O-N 3.46Å; E94-L97 VanDerWaalsContact O-N 3.11Å; L97-I99 VanDerWaalsContact C-N 3.3Å; L97-F100 CarbonylContact O-C 3.6Å; L97-P101 WeakPolarHBondContact O-CA 3.45Å; L97-P101 WeakPolarHBondContact O-CB 3.41Å; L97-P101 WeakPolarHBondContact O-CD 3.38Å; L97-I106 HydrophobicContact CD2-CB 4.11Å; L97-I106 HydrophobicContact CD2-CG2 3.67Å; L97-I106 HydrophobicContact CG-CG2 3.83Å; L97-L107 HydrophobicContact CD1-CD2 3.94Å; L97-L107 HydrophobicContact CD2-CD2 3.77Å; L97-L107 HydrophobicContact CD2-CG 3.81Å; L97-M110 HydrophobicContact CD1-SD 3.58Å; L97-M110 VanDerWaalsContact CD1-SD 3.58Å
98	E	95.5	Very high	95.8	Very high	155 Å²	155	38.2 Å²	38.2	72%	0.724	20%	0.203	S	C	*	.	H	α-helix	trans	-63.6	-38.4	168.1	-72.7	-176	168.5	0	0	111.6	E94 Q95	E94-E98 WeakPolarHBondContact O-CG 3.23Å; E94-E98 PolarHBondContact O-N 3.02Å; Q95-E98 PolarHBondContact O-N 2.87Å
99	I	94.6	Very high	95.9	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-78.3	-42.8	178.2	-61.4	179.5	0	0	0	110.9	L52 L55 K62 Q95 A96 L97 P101	L52-I99 HydrophobicContact CD2-CD1 3.34Å; L55-I99 HydrophobicContact CB-CD1 4.08Å; L55-I99 HydrophobicContact CB-CG2 3.92Å; L55-I99 HydrophobicContact CD1-CG2 4.12Å; K62-I99 HydrophobicContact CD-CG2 4.37Å; K62-I99 HydrophobicContact CG-CG2 4.46Å; K62-I99 PolarHBondContact NZ-O 3.32Å; Q95-I99 WeakPolarHBondContact O-CG1 3.24Å; Q95-I99 PolarHBondContact O-N 2.84Å; A96-I99 PolarHBondContact O-N 2.97Å; L97-I99 VanDerWaalsContact C-N 3.3Å; I99-P101 WeakPolarHBondContact O-CD 3.29Å
100	F	95	Very high	95.9	Very high	17 Å²	17	36 Å²	36	8%	0.075	20%	0.195	C	C	.	.			trans	-124.9	73.8	-177.7	-58.1	-85.1	0	0	0	111.7	L55 K62 Q66 F69 A96 L97 A102 D103 I106	L55-F100 HydrophobicContact CD1-CE2 3.66Å; L55-F100 HydrophobicContact CD1-CZ 3.88Å; L55-F100 HydrophobicContact CD2-CZ 4.46Å; K62-F100 HydrophobicContact CB-CE1 3.76Å; K62-F100 HydrophobicContact CB-CZ 4.17Å; K62-F100 HydrophobicContact CD-CE1 4.43Å; K62-F100 HydrophobicContact CG-CE1 4.04Å; K62-F100 HydrophobicContact CG-CZ 4.19Å; Q66-F100 HydrophobicContact CB-CE1 4.21Å; Q66-F100 HydrophobicContact CB-CZ 4.39Å; Q66-F100 HydrophobicContact CG-CD1 4.44Å; Q66-F100 HydrophobicContact CG-CE1 4.08Å; Q66-F100 HydrophobicContact CG-CZ 4.45Å; F69-F100 AromaticContact CD1-CD2 3.85Å; F69-F100 HydrophobicContact CD1-CD2 3.85Å; F69-F100 AromaticContact CD1-CE2 3.41Å; F69-F100 HydrophobicContact CD1-CE2 3.41Å; F69-F100 VanDerWaalsContact CD1-CE2 3.41Å; F69-F100 HydrophobicContact CD1-CZ 4.45Å; F69-F100 AromaticContact CE1-CD2 3.8Å; F69-F100 HydrophobicContact CE1-CD2 3.8Å; F69-F100 AromaticContact CE1-CE2 3.72Å; F69-F100 HydrophobicContact CE1-CE2 3.72Å; F69-F100 HydrophobicContact CG-CE2 4.13Å; A96-F100 PolarHBondContact O-N 3.09Å; L97-F100 CarbonylContact O-C 3.6Å; F100-A102 PolarHBondContact O-N 3.45Å; F100-D103 HydrophobicContact CB-CB 3.78Å; F100-D103 WeakPolarHBondContact O-CB 3.37Å; F100-D103 PolarHBondContact O-N 2.97Å; F100-I106 HydrophobicContact CB-CD1 4.34Å; F100-I106 HydrophobicContact CD2-CD1 4.49Å
101	P	93.1	Very high	95.9	Very high	96 Å²	96	34.9 Å²	34.9	62%	0.623	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.9	-172.8	26.4	-36.1	0	0	0	114.8	L97 I99	L97-P101 WeakPolarHBondContact O-CA 3.45Å; L97-P101 WeakPolarHBondContact O-CB 3.41Å; L97-P101 WeakPolarHBondContact O-CD 3.38Å; I99-P101 WeakPolarHBondContact O-CD 3.29Å
102	A	94.1	Very high	95.7	Very high	63 Å²	63	34.7 Å²	34.7	52%	0.521	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	24.7	-179.8	0	0	0	0	0	111.9	F100 E104 L133	F100-A102 PolarHBondContact O-N 3.45Å; A102-E104 PolarHBondContact O-N 2.78Å; A102-L133 HydrophobicContact CB-CD1 4.41Å; A102-L133 HydrophobicContact CB-CD2 4.01Å
103	D	95.3	Very high	95.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.			trans	-88.1	104.5	178.2	-164.6	-54.4	0	0	0	110.7	Q66 R70 F100 V105 I106 L107	Q66-D103 PolarHBondContact NE2-OD2 3.16Å; R70-D103 IonicContact CZ-OD1 3.53Å; R70-D103 VanDerWaalsContact CZ-OD1 3.32Å; R70-D103 IonicContact CZ-OD2 2.67Å; R70-D103 VanDerWaalsContact NE-CG 3.33Å; R70-D103 IonicContact NE-OD1 3.11Å; R70-D103 PolarHBondContact NE-OD1 3.35Å; R70-D103 VanDerWaalsContact NE-OD1 3.11Å; R70-D103 IonicContact NE-OD2 3.52Å; R70-D103 PolarHBondContact NE-OD2 3.06Å; R70-D103 IonicContact NH2-OD1 3.51Å; R70-D103 PolarHBondContact NH2-OD1 2.8Å; R70-D103 IonicContact NH2-OD2 2.71Å; R70-D103 PolarHBondContact NH2-OD2 2.84Å; F100-D103 HydrophobicContact CB-CB 3.78Å; F100-D103 WeakPolarHBondContact O-CB 3.37Å; F100-D103 PolarHBondContact O-N 2.97Å; D103-V105 VanDerWaalsContact C-N 3.26Å; D103-V105 PolarHBondContact O-N 3.21Å; D103-V105 PolarHBondContact OD1-N 3.24Å; D103-V105 VanDerWaalsContact OD1-N 3.13Å; D103-I106 HydrophobicContact CB-CB 4.13Å; D103-I106 HydrophobicContact CB-CD1 3.9Å; D103-I106 HydrophobicContact CB-CG1 4.13Å; D103-I106 PolarHBondContact O-N 2.97Å; D103-I106 WeakPolarHBondContact OD1-CG1 3.09Å; D103-I106 PolarHBondContact OD1-N 3.47Å; D103-L107 WeakPolarHBondContact O-CG 3.14Å; D103-L107 PolarHBondContact O-N 3.45Å; D103-L107 VanDerWaalsContact O-N 3.11Å
104	E	95.9	Very high	95.4	Very high	39 Å²	39	35.6 Å²	35.6	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-33	-177	74.8	-80	-161	0	0	112.4	R70 A102 N108 A130 L133 K134 F137	R70-E104 IonicContact NH2-OE2 2.68Å; A102-E104 PolarHBondContact O-N 2.78Å; E104-N108 WeakPolarHBondContact O-CB 3.43Å; E104-N108 PolarHBondContact O-N 2.83Å; E104-A130 HydrophobicContact CB-CB 4.26Å; E104-L133 HydrophobicContact CB-CB 4.41Å; E104-K134 HydrophobicContact CB-CB 4.35Å; E104-K134 HydrophobicContact CG-CB 4.09Å; E104-K134 HydrophobicContact CG-CD 3.93Å; E104-K134 WeakPolarHBondContact OE1-CD 3.17Å; E104-K134 IonicContact OE1-NZ 3.75Å; E104-F137 HydrophobicContact CB-CD1 4.01Å; E104-F137 HydrophobicContact CB-CE1 4.11Å; E104-F137 HydrophobicContact CG-CD1 3.77Å; E104-F137 HydrophobicContact CG-CE1 3.81Å; E104-F137 HydrophobicContact CG-CG 4.44Å; E104-F137 HydrophobicContact CG-CZ 4.49Å; E104-F137 WeakPolarHBondContact O-CE1 3.3Å
105	V	96.1	Very high	95.1	Very high	35 Å²	35	32.1 Å²	32.1	21%	0.212	17%	0.174	C	C	.	.	H	α-helix	trans	-72.2	-44.6	-177.1	-172	0	0	0	0	110	F74 D103 L107 N108 S109 F137	F74-V105 HydrophobicContact CE2-CG1 3.93Å; F74-V105 HydrophobicContact CZ-CG1 3.82Å; D103-V105 VanDerWaalsContact C-N 3.26Å; D103-V105 PolarHBondContact O-N 3.21Å; D103-V105 PolarHBondContact OD1-N 3.24Å; D103-V105 VanDerWaalsContact OD1-N 3.13Å; V105-L107 VanDerWaalsContact C-N 3.35Å; V105-N108 PolarHBondContact O-N 3.13Å; V105-S109 PolarHBondContact O-N 3.29Å; V105-S109 PolarHBondContact O-OG 3.24Å; V105-S109 VanDerWaalsContact O-OG 3.1Å; V105-F137 HydrophobicContact CG2-CZ 4.32Å
106	I	96.8	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-42	176	-62.4	173.2	0	0	0	110.5	R70 L73 F74 Y93 A96 L97 F100 D103 N108 S109 M110	R70-I106 HydrophobicContact CG-CD1 4.2Å; R70-I106 HydrophobicContact CG-CG1 4.11Å; L73-I106 HydrophobicContact CD2-CD1 4.31Å; L73-I106 HydrophobicContact CD2-CG1 4.19Å; L73-I106 HydrophobicContact CD2-CG2 4.06Å; F74-I106 HydrophobicContact CE1-CG1 4.47Å; F74-I106 HydrophobicContact CZ-CG1 4.44Å; Y93-I106 HydrophobicContact CD1-CG2 4Å; A96-I106 HydrophobicContact CB-CD1 4.26Å; A96-I106 HydrophobicContact CB-CG2 4.2Å; L97-I106 HydrophobicContact CD2-CB 4.11Å; L97-I106 HydrophobicContact CD2-CG2 3.67Å; L97-I106 HydrophobicContact CG-CG2 3.83Å; F100-I106 HydrophobicContact CB-CD1 4.34Å; F100-I106 HydrophobicContact CD2-CD1 4.49Å; D103-I106 HydrophobicContact CB-CB 4.13Å; D103-I106 HydrophobicContact CB-CD1 3.9Å; D103-I106 HydrophobicContact CB-CG1 4.13Å; D103-I106 PolarHBondContact O-N 2.97Å; D103-I106 WeakPolarHBondContact OD1-CG1 3.09Å; D103-I106 PolarHBondContact OD1-N 3.47Å; I106-N108 PolarHBondContact O-N 3.38Å; I106-S109 PolarHBondContact O-N 2.85Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 PolarHBondContact O-N 3.42Å
107	L	97.1	Very high	94.1	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.1	-74.8	167.1	0	0	0	111.8	L97 D103 V105 M110 G111 K129 A130 L133	L97-L107 HydrophobicContact CD1-CD2 3.94Å; L97-L107 HydrophobicContact CD2-CD2 3.77Å; L97-L107 HydrophobicContact CD2-CG 3.81Å; D103-L107 WeakPolarHBondContact O-CG 3.14Å; D103-L107 PolarHBondContact O-N 3.45Å; D103-L107 VanDerWaalsContact O-N 3.11Å; V105-L107 VanDerWaalsContact C-N 3.35Å; L107-M110 PolarHBondContact O-N 2.97Å; L107-G111 PolarHBondContact O-N 2.83Å; L107-K129 HydrophobicContact CD1-CB 4.03Å; L107-K129 HydrophobicContact CD2-CB 4.41Å; L107-K129 HydrophobicContact CD2-CD 4.39Å; L107-A130 HydrophobicContact CB-CB 4.01Å; L107-L133 HydrophobicContact CD1-CD1 3.43Å; L107-L133 VanDerWaalsContact CD1-CD1 3.43Å
108	N	95.9	Very high	93.7	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-45.3	176.3	175.2	71.8	0	0	0	112	E104 V105 I106 M110 G111 E112 F127 F137 A140 N143	E104-N108 WeakPolarHBondContact O-CB 3.43Å; E104-N108 PolarHBondContact O-N 2.83Å; V105-N108 PolarHBondContact O-N 3.13Å; I106-N108 PolarHBondContact O-N 3.38Å; N108-M110 PolarHBondContact O-N 2.85Å; N108-G111 PolarHBondContact O-N 2.91Å; N108-E112 PolarHBondContact O-N 3.06Å; N108-F127 WeakPolarHBondContact O-CE1 3.38Å; N108-F127 WeakPolarHBondContact OD1-CE1 3.28Å; N108-F137 HydrophobicContact CB-CE1 3.63Å; N108-F137 HydrophobicContact CB-CZ 4.04Å; N108-A140 HydrophobicContact CB-CB 4.24Å; N108-A140 WeakPolarHBondContact OD1-CA 3.48Å; N108-A140 PolarHBondContact OD1-N 3.15Å; N108-N143 PolarHBondContact OD1-ND2 3.41Å
109	S	95.4	Very high	93.4	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-39.5	179.7	-62	0	0	0	0	112.6	F74 V105 I106 E112 H113	F74-S109 WeakPolarHBondContact CE1-OG 3.26Å; F74-S109 WeakPolarHBondContact CZ-OG 3.08Å; V105-S109 PolarHBondContact O-N 3.29Å; V105-S109 PolarHBondContact O-OG 3.24Å; V105-S109 VanDerWaalsContact O-OG 3.1Å; I106-S109 PolarHBondContact O-N 2.85Å; S109-E112 PolarHBondContact O-N 3.32Å; S109-H113 PolarHBondContact O-N 2.72Å; S109-H113 VanDerWaalsContact O-N 3.14Å; S109-H113 PolarHBondContact O-ND1 2.87Å
110	M	96.5	Very high	93.3	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-44.7	173.7	-176.5	175.4	179.6	0	0	111.1	F90 Y93 E94 L97 I106 L107 N108 E112 H113 L114 H126	F90-M110 HydrophobicContact CD1-CE 4.45Å; Y93-M110 HydrophobicContact CD1-CB 3.9Å; Y93-M110 HydrophobicContact CD2-CB 4.39Å; Y93-M110 HydrophobicContact CD2-CG 4.38Å; Y93-M110 HydrophobicContact CE1-CB 4.37Å; Y93-M110 HydrophobicContact CG-CB 3.92Å; Y93-M110 HydrophobicContact CG-CG 4.07Å; E94-M110 HydrophobicContact CG-CE 4.46Å; L97-M110 HydrophobicContact CD1-SD 3.58Å; L97-M110 VanDerWaalsContact CD1-SD 3.58Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 PolarHBondContact O-N 3.42Å; L107-M110 PolarHBondContact O-N 2.97Å; N108-M110 PolarHBondContact O-N 2.85Å; M110-E112 VanDerWaalsContact C-N 3.31Å; M110-E112 PolarHBondContact O-N 2.86Å; M110-H113 PolarHBondContact O-N 3.5Å; M110-L114 HydrophobicContact CE-CD1 4.34Å; M110-L114 HydrophobicContact CG-CD1 4.11Å; M110-L114 WeakPolarHBondContact O-CG 3.22Å; M110-L114 PolarHBondContact O-N 2.97Å; M110-H126 PolarHBondContact SD-CE1 3.39Å
111	G	95.4	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-41.1	174.5	0	0	0	0	0	112.6	L107 N108 H113 L114 F115 A123 F127	L107-G111 PolarHBondContact O-N 2.83Å; N108-G111 PolarHBondContact O-N 2.91Å; G111-H113 PolarHBondContact O-N 3.25Å; G111-L114 PolarHBondContact O-N 2.84Å; G111-F115 WeakPolarHBondContact O-CB 3.13Å; G111-F115 PolarHBondContact O-N 3.38Å; G111-A123 WeakPolarHBondContact O-CB 3.29Å; G111-F127 WeakPolarHBondContact O-CZ 3.23Å
112	E	92.6	Very high	92.9	Very high	50 Å²	50	41.9 Å²	41.9	23%	0.234	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-40.7	177.8	-175.2	167.9	-164.2	0	0	111.8	N108 S109 M110 R116 F127 K830	N108-E112 PolarHBondContact O-N 3.06Å; S109-E112 PolarHBondContact O-N 3.32Å; M110-E112 VanDerWaalsContact C-N 3.31Å; M110-E112 PolarHBondContact O-N 2.86Å; E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 2.84Å; E112-R116 VanDerWaalsContact O-N 3.09Å; E112-F127 VanDerWaalsContact N-CZ 3.34Å; E112-K830 IonicContact OE1-NZ 3.65Å; E112-K830 PolarHBondContact OE1-NZ 2.99Å
113	H	92.6	Very high	92.9	Very high	17 Å²	17	38.9 Å²	38.9	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-44.7	174.8	-74.2	73.2	0	0	0	112.1	L89 F90 Y93 S109 M110 G111 F115 R116 M117	L89-H113 HydrophobicContact CD2-CB 4.21Å; F90-H113 HydrophobicContact CE1-CB 4.16Å; Y93-H113 HydrophobicContact CE2-CB 4.44Å; Y93-H113 AromaticContact CE2-CG 3.98Å; Y93-H113 AromaticContact CE2-ND1 3.91Å; Y93-H113 AromaticContact CZ-ND1 3.83Å; Y93-H113 PolarHBondContact OH-CE1 3.3Å; Y93-H113 PolarHBondContact OH-ND1 3.48Å; Y93-H113 VanDerWaalsContact OH-ND1 3.15Å; S109-H113 PolarHBondContact O-N 2.72Å; S109-H113 VanDerWaalsContact O-N 3.14Å; S109-H113 PolarHBondContact O-ND1 2.87Å; M110-H113 PolarHBondContact O-N 3.5Å; G111-H113 PolarHBondContact O-N 3.25Å; H113-F115 VanDerWaalsContact C-N 3.31Å; H113-F115 PolarHBondContact O-N 3.45Å; H113-R116 PolarHBondContact CD2-NH2 2.85Å; H113-R116 PolarHBondContact NE2-NH2 2.75Å; H113-R116 PolarHBondContact O-N 3.16Å; H113-M117 VanDerWaalsContact O-CG 3.32Å; H113-M117 WeakPolarHBondContact O-CG 3.25Å; H113-M117 PolarHBondContact O-N 2.8Å; H113-M117 VanDerWaalsContact O-N 3.08Å
114	L	93.9	Very high	92.7	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-44.4	175.5	-75.1	165.9	0	0	0	111.5	F90 M110 G111 R116 M117 G118 F119 E122 A123 H126	F90-L114 HydrophobicContact CD1-CD2 4.32Å; F90-L114 HydrophobicContact CE1-CD2 3.59Å; F90-L114 HydrophobicContact CE1-CG 3.71Å; F90-L114 HydrophobicContact CE2-CD2 4.46Å; F90-L114 HydrophobicContact CZ-CD2 3.67Å; F90-L114 HydrophobicContact CZ-CG 4.12Å; M110-L114 HydrophobicContact CE-CD1 4.34Å; M110-L114 HydrophobicContact CG-CD1 4.11Å; M110-L114 WeakPolarHBondContact O-CG 3.22Å; M110-L114 PolarHBondContact O-N 2.97Å; G111-L114 PolarHBondContact O-N 2.84Å; L114-R116 PolarHBondContact O-N 2.8Å; L114-M117 CarbonylContact O-C 3.42Å; L114-M117 PolarHBondContact O-N 2.94Å; L114-G118 PolarHBondContact O-N 3.46Å; L114-F119 HydrophobicContact CB-CB 4.17Å; L114-F119 HydrophobicContact CD2-CB 3.89Å; L114-F119 HydrophobicContact CD2-CD2 4.11Å; L114-F119 HydrophobicContact CD2-CG 4.26Å; L114-F119 PolarHBondContact O-N 2.8Å; L114-E122 HydrophobicContact CD1-CB 3.92Å; L114-E122 HydrophobicContact CD2-CB 4.33Å; L114-A123 HydrophobicContact CB-CB 3.86Å; L114-H126 WeakPolarHBondContact CD1-CD2 3.27Å
115	F	90.6	Very high	92.4	Very high	33 Å²	33	38.9 Å²	38.9	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-43.2	178.2	-177.6	-113.2	0	0	0	112.1	G111 H113 M117 G118 R120 A123 V147 W150	G111-F115 WeakPolarHBondContact O-CB 3.13Å; G111-F115 PolarHBondContact O-N 3.38Å; H113-F115 VanDerWaalsContact C-N 3.31Å; H113-F115 PolarHBondContact O-N 3.45Å; F115-M117 PolarHBondContact O-N 3.26Å; F115-G118 PolarHBondContact O-N 3.15Å; F115-G118 VanDerWaalsContact O-N 3.07Å; F115-R120 HydrophobicContact CD2-CG 4.3Å; F115-R120 HydrophobicContact CE2-CG 4.35Å; F115-A123 HydrophobicContact CB-CB 3.87Å; F115-V147 HydrophobicContact CB-CG2 4.36Å; F115-V147 HydrophobicContact CD2-CB 4.34Å; F115-V147 HydrophobicContact CD2-CG1 4.41Å; F115-V147 HydrophobicContact CD2-CG2 3.31Å; F115-V147 HydrophobicContact CE2-CB 4.35Å; F115-V147 HydrophobicContact CE2-CG2 3.63Å; F115-V147 HydrophobicContact CG-CG2 3.85Å; F115-V147 HydrophobicContact CZ-CG2 4.39Å; F115-W150 AromaticContact CE2-CD1 3.86Å; F115-W150 AromaticContact CE2-NE1 3.93Å; F115-W150 AromaticContact CZ-NE1 3.76Å
116	R	86.4	Confident	92.4	Very high	124 Å²	124	38.4 Å²	38.4	47%	0.468	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-32.1	175.7	-72.7	-170.5	-60.8	127.8	-10.7	112.9	D81 E112 H113 L114 G118	D81-R116 IonicContact OD2-CZ 3.12Å; D81-R116 VanDerWaalsContact OD2-CZ 3.24Å; D81-R116 IonicContact OD2-NH1 2.71Å; D81-R116 PolarHBondContact OD2-NH1 2.94Å; D81-R116 IonicContact OD2-NH2 2.68Å; D81-R116 PolarHBondContact OD2-NH2 3.5Å; E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 2.84Å; E112-R116 VanDerWaalsContact O-N 3.09Å; H113-R116 PolarHBondContact CD2-NH2 2.85Å; H113-R116 PolarHBondContact NE2-NH2 2.75Å; H113-R116 PolarHBondContact O-N 3.16Å; L114-R116 PolarHBondContact O-N 2.8Å; R116-G118 VanDerWaalsContact C-N 3.29Å
117	M	85.9	Confident	92.3	Very high	71 Å²	71	38.4 Å²	38.4	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.6	177.4	-62.6	-64.4	154	0	0	113.4	D81 I86 F90 H113 L114 F115 F119	D81-M117 VanDerWaalsContact OD1-CE 3.23Å; D81-M117 WeakPolarHBondContact OD1-CE 3.44Å; I86-M117 HydrophobicContact CD1-CE 3.64Å; I86-M117 HydrophobicContact CD1-SD 4.23Å; I86-M117 HydrophobicContact CG1-CE 4.47Å; I86-M117 HydrophobicContact CG1-SD 4.44Å; I86-M117 HydrophobicContact CG2-SD 4.42Å; F90-M117 HydrophobicContact CZ-CG 4.35Å; H113-M117 VanDerWaalsContact O-CG 3.32Å; H113-M117 WeakPolarHBondContact O-CG 3.25Å; H113-M117 PolarHBondContact O-N 2.8Å; H113-M117 VanDerWaalsContact O-N 3.08Å; L114-M117 CarbonylContact O-C 3.42Å; L114-M117 PolarHBondContact O-N 2.94Å; F115-M117 PolarHBondContact O-N 3.26Å; M117-F119 HydrophobicContact CB-CD2 3.66Å; M117-F119 HydrophobicContact CB-CE2 3.84Å
118	G	88	Confident	92	Very high	45 Å²	45	40.5 Å²	40.5	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	0.9	178.9	0	0	0	0	0	115.5	L114 F115 R116 R120	L114-G118 PolarHBondContact O-N 3.46Å; F115-G118 PolarHBondContact O-N 3.15Å; F115-G118 VanDerWaalsContact O-N 3.07Å; R116-G118 VanDerWaalsContact C-N 3.29Å; G118-R120 VanDerWaalsContact C-N 3.29Å; G118-R120 PolarHBondContact O-N 3.27Å
119	F	90.6	Very high	91.9	Very high	102 Å²	102	45.4 Å²	45.4	45%	0.447	23%	0.226	S	C	.	.			trans	-80.9	72.2	177	-61	-70.5	0	0	0	111.1	L114 M117 E122 A123	L114-F119 HydrophobicContact CB-CB 4.17Å; L114-F119 HydrophobicContact CD2-CB 3.89Å; L114-F119 HydrophobicContact CD2-CD2 4.11Å; L114-F119 HydrophobicContact CD2-CG 4.26Å; L114-F119 PolarHBondContact O-N 2.8Å; M117-F119 HydrophobicContact CB-CD2 3.66Å; M117-F119 HydrophobicContact CB-CE2 3.84Å; F119-E122 HydrophobicContact CB-CB 4.41Å; F119-A123 VanDerWaalsContact O-CB 3.23Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 3.28Å
120	R	92.1	Very high	91.9	Very high	94 Å²	94	44.7 Å²	44.7	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-45.2	-169.7	-65	165.5	-177.2	171.4	2.6	113.1	F115 G118 A123 A124 V147 W150 L151	F115-R120 HydrophobicContact CD2-CG 4.3Å; F115-R120 HydrophobicContact CE2-CG 4.35Å; G118-R120 VanDerWaalsContact C-N 3.29Å; G118-R120 PolarHBondContact O-N 3.27Å; R120-A123 PolarHBondContact O-N 3.07Å; R120-A124 PolarHBondContact O-N 3.1Å; R120-V147 HydrophobicContact CB-CG1 4.18Å; R120-V147 VanDerWaalsContact O-CG1 3.28Å; R120-V147 WeakPolarHBondContact O-CG1 3.46Å; R120-W150 VanDerWaalsContact CZ-CZ3 3.45Å; R120-L151 HydrophobicContact CB-CD2 4.05Å
121	D	87.8	Confident	91.7	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-46.7	-179.3	-71.1	-58.1	0	0	0	110.9	A124 G125 L151 T214	D121-A124 PolarHBondContact O-N 3.39Å; D121-G125 PolarHBondContact O-N 3.22Å; D121-G125 VanDerWaalsContact O-N 3.07Å; D121-L151 WeakPolarHBondContact OD1-CD2 3.29Å; D121-T214 PolarHBondContact OD1-OG1 3Å
122	E	91.1	Very high	91.6	Very high	88 Å²	88	52.7 Å²	52.7	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-45.5	177.3	-65.4	75.6	-168.5	0	0	110.9	L114 F119 A124 G125 H126	L114-E122 HydrophobicContact CD1-CB 3.92Å; L114-E122 HydrophobicContact CD2-CB 4.33Å; F119-E122 HydrophobicContact CB-CB 4.41Å; E122-A124 PolarHBondContact O-N 3.35Å; E122-G125 WeakPolarHBondContact O-CA 3.27Å; E122-G125 PolarHBondContact O-N 2.83Å; E122-G125 VanDerWaalsContact O-N 3.11Å; E122-H126 PolarHBondContact O-CD2 3.3Å; E122-H126 PolarHBondContact O-N 2.8Å
123	A	94.3	Very high	91.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-48.3	177.6	0	0	0	0	0	111.9	G111 L114 F115 F119 R120 G125 H126 F127 V147	G111-A123 WeakPolarHBondContact O-CB 3.29Å; L114-A123 HydrophobicContact CB-CB 3.86Å; F115-A123 HydrophobicContact CB-CB 3.87Å; F119-A123 VanDerWaalsContact O-CB 3.23Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 3.28Å; R120-A123 PolarHBondContact O-N 3.07Å; A123-G125 VanDerWaalsContact C-N 3.31Å; A123-G125 PolarHBondContact O-N 3.08Å; A123-H126 PolarHBondContact O-N 3.03Å; A123-H126 VanDerWaalsContact O-N 3.11Å; A123-F127 HydrophobicContact CB-CD2 4.48Å; A123-F127 HydrophobicContact CB-CE2 3.89Å; A123-F127 WeakPolarHBondContact O-CD2 3.47Å; A123-F127 WeakPolarHBondContact O-CG 3.3Å; A123-F127 PolarHBondContact O-N 2.97Å; A123-V147 HydrophobicContact CB-CG2 4.48Å
124	A	91	Very high	91.8	Very high	7 Å²	7	57.7 Å²	57.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-39.5	176.2	0	0	0	0	0	112.5	R120 D121 E122 H126 F127 H128 F144 V147 L151	R120-A124 PolarHBondContact O-N 3.1Å; D121-A124 PolarHBondContact O-N 3.39Å; E122-A124 PolarHBondContact O-N 3.35Å; A124-H126 VanDerWaalsContact C-N 3.27Å; A124-H126 PolarHBondContact O-N 3.05Å; A124-F127 PolarHBondContact O-N 3.15Å; A124-H128 WeakPolarHBondContact O-CB 3.34Å; A124-H128 PolarHBondContact O-N 2.74Å; A124-F144 HydrophobicContact CB-CD2 4.45Å; A124-F144 HydrophobicContact CB-CE2 4.18Å; A124-V147 HydrophobicContact CB-CB 4.5Å; A124-V147 HydrophobicContact CB-CG1 3.83Å; A124-L151 HydrophobicContact CB-CD1 3.28Å
125	G	90.6	Very high	91.6	Very high	32 Å²	32	61.9 Å²	61.9	33%	0.33	31%	0.309	S	S	.	.	H	α-helix	trans	-56.7	-41	173.6	0	0	0	0	0	112.6	D121 E122 A123 K129	D121-G125 PolarHBondContact O-N 3.22Å; D121-G125 VanDerWaalsContact O-N 3.07Å; E122-G125 WeakPolarHBondContact O-CA 3.27Å; E122-G125 PolarHBondContact O-N 2.83Å; E122-G125 VanDerWaalsContact O-N 3.11Å; A123-G125 VanDerWaalsContact C-N 3.31Å; A123-G125 PolarHBondContact O-N 3.08Å; G125-K129 WeakPolarHBondContact O-CB 3.26Å; G125-K129 VanDerWaalsContact O-CG 3.23Å; G125-K129 WeakPolarHBondContact O-CG 3.23Å; G125-K129 PolarHBondContact O-N 3.47Å
126	H	95.3	Very high	91.3	Very high	25 Å²	25	65.7 Å²	65.7	12%	0.116	33%	0.331	C	S	.	.	H	α-helix	trans	-71.5	-44.7	176.7	-76.9	-77.8	0	0	0	113.1	M110 L114 E122 A123 A124 H128 K129 A130	M110-H126 PolarHBondContact SD-CE1 3.39Å; L114-H126 WeakPolarHBondContact CD1-CD2 3.27Å; E122-H126 PolarHBondContact O-CD2 3.3Å; E122-H126 PolarHBondContact O-N 2.8Å; A123-H126 PolarHBondContact O-N 3.03Å; A123-H126 VanDerWaalsContact O-N 3.11Å; A124-H126 VanDerWaalsContact C-N 3.27Å; A124-H126 PolarHBondContact O-N 3.05Å; H126-H128 VanDerWaalsContact C-N 3.34Å; H126-H128 PolarHBondContact O-N 2.95Å; H126-K129 PolarHBondContact O-N 3.49Å; H126-A130 PolarHBondContact O-N 2.94Å
127	F	94.7	Very high	91.5	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175.2	-60.2	-46.4	0	0	0	111.8	N108 G111 E112 A123 A124 K129 A130 L131 N143 F144 V147	N108-F127 WeakPolarHBondContact O-CE1 3.38Å; N108-F127 WeakPolarHBondContact OD1-CE1 3.28Å; G111-F127 WeakPolarHBondContact O-CZ 3.23Å; E112-F127 VanDerWaalsContact N-CZ 3.34Å; A123-F127 HydrophobicContact CB-CD2 4.48Å; A123-F127 HydrophobicContact CB-CE2 3.89Å; A123-F127 WeakPolarHBondContact O-CD2 3.47Å; A123-F127 WeakPolarHBondContact O-CG 3.3Å; A123-F127 PolarHBondContact O-N 2.97Å; A124-F127 PolarHBondContact O-N 3.15Å; F127-K129 PolarHBondContact O-N 3.43Å; F127-A130 WeakPolarHBondContact O-CB 3.44Å; F127-A130 PolarHBondContact O-N 3.45Å; F127-L131 WeakPolarHBondContact O-CG 3.31Å; F127-L131 PolarHBondContact O-N 3.41Å; F127-N143 HydrophobicContact CD1-CB 3.72Å; F127-N143 HydrophobicContact CD2-CB 4.19Å; F127-N143 HydrophobicContact CE1-CB 3.41Å; F127-N143 VanDerWaalsContact CE1-CB 3.41Å; F127-N143 HydrophobicContact CE2-CB 3.93Å; F127-N143 HydrophobicContact CG-CB 4.12Å; F127-N143 HydrophobicContact CZ-CB 3.53Å; F127-F144 HydrophobicContact CB-CB 3.91Å; F127-F144 HydrophobicContact CB-CD2 4.02Å; F127-F144 HydrophobicContact CB-CG 4.47Å; F127-V147 HydrophobicContact CD2-CG2 3.92Å; F127-V147 HydrophobicContact CE2-CG2 3.49Å; F127-V147 VanDerWaalsContact CE2-CG2 3.49Å
128	H	90.9	Very high	91.3	Very high	52 Å²	52	59.7 Å²	59.7	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-38.5	177.8	-173.8	85.6	0	0	0	112.1	A124 H126 L131 K132 F144	A124-H128 WeakPolarHBondContact O-CB 3.34Å; A124-H128 PolarHBondContact O-N 2.74Å; H126-H128 VanDerWaalsContact C-N 3.34Å; H126-H128 PolarHBondContact O-N 2.95Å; H128-L131 PolarHBondContact O-N 3.15Å; H128-K132 PolarHBondContact CD2-NZ 2.81Å; H128-K132 WeakPolarHBondContact NE2-CE 3.32Å; H128-K132 PolarHBondContact NE2-NZ 3.41Å; H128-K132 WeakPolarHBondContact O-CB 3.45Å; H128-K132 WeakPolarHBondContact O-CG 3.43Å; H128-K132 PolarHBondContact O-N 3.47Å; H128-F144 HydrophobicContact CB-CD2 4.42Å; H128-F144 HydrophobicContact CB-CE2 4.14Å
129	K	93.5	Very high	91.2	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-44	171.1	-75.4	169.1	-174.6	172.4	0	111.6	L107 G125 H126 F127 L131 K132 L133	L107-K129 HydrophobicContact CD1-CB 4.03Å; L107-K129 HydrophobicContact CD2-CB 4.41Å; L107-K129 HydrophobicContact CD2-CD 4.39Å; G125-K129 WeakPolarHBondContact O-CB 3.26Å; G125-K129 VanDerWaalsContact O-CG 3.23Å; G125-K129 WeakPolarHBondContact O-CG 3.23Å; G125-K129 PolarHBondContact O-N 3.47Å; H126-K129 PolarHBondContact O-N 3.49Å; F127-K129 PolarHBondContact O-N 3.43Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 2.93Å; K129-K132 PolarHBondContact O-N 3.47Å; K129-L133 WeakPolarHBondContact O-CG 3.1Å; K129-L133 PolarHBondContact O-N 3.37Å; K129-L133 VanDerWaalsContact O-N 3.11Å
130	A	95.9	Very high	91.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-43.6	176.5	0	0	0	0	0	111.5	E104 L107 H126 F127 L133 K134 F137 A140	E104-A130 HydrophobicContact CB-CB 4.26Å; L107-A130 HydrophobicContact CB-CB 4.01Å; H126-A130 PolarHBondContact O-N 2.94Å; F127-A130 WeakPolarHBondContact O-CB 3.44Å; F127-A130 PolarHBondContact O-N 3.45Å; A130-L133 PolarHBondContact O-N 2.92Å; A130-K134 PolarHBondContact O-N 3.33Å; A130-F137 HydrophobicContact CB-CD1 4.25Å; A130-F137 HydrophobicContact CB-CE1 4.46Å; A130-A140 HydrophobicContact CB-CB 3.9Å
131	L	92.9	Very high	91	Very high	29 Å²	29	56 Å²	56	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-32.7	176.6	-68.4	170.8	0	0	0	113.4	F127 H128 K129 L133 K134 P135 A140 R141 F144	F127-L131 WeakPolarHBondContact O-CG 3.31Å; F127-L131 PolarHBondContact O-N 3.41Å; H128-L131 PolarHBondContact O-N 3.15Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 2.93Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L131-K134 CarbonylContact O-C 3.53Å; L131-P135 WeakPolarHBondContact O-CA 3.41Å; L131-P135 WeakPolarHBondContact O-CD 3.4Å; L131-A140 HydrophobicContact CD2-CB 4.07Å; L131-A140 HydrophobicContact CG-CB 4.15Å; L131-R141 HydrophobicContact CD2-CB 3.78Å; L131-F144 HydrophobicContact CD1-CB 3.88Å; L131-F144 HydrophobicContact CD1-CG 4.12Å
132	K	92.8	Very high	90.7	Very high	153 Å²	153	54.5 Å²	54.5	67%	0.665	28%	0.275	S	S	*	.	H	α-helix	trans	-64.4	-37.3	171.5	-84.5	176.2	163.1	154.7	0	112.3	H128 K129	H128-K132 PolarHBondContact CD2-NZ 2.81Å; H128-K132 WeakPolarHBondContact NE2-CE 3.32Å; H128-K132 PolarHBondContact NE2-NZ 3.41Å; H128-K132 WeakPolarHBondContact O-CB 3.45Å; H128-K132 WeakPolarHBondContact O-CG 3.43Å; H128-K132 PolarHBondContact O-N 3.47Å; K129-K132 PolarHBondContact O-N 3.47Å
133	L	94.6	Very high	90.5	Very high	85 Å²	85	50.7 Å²	50.7	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-75.4	-42.5	177.8	-67.2	167.8	0	0	0	111.7	A102 E104 L107 K129 A130 L131	A102-L133 HydrophobicContact CB-CD1 4.41Å; A102-L133 HydrophobicContact CB-CD2 4.01Å; E104-L133 HydrophobicContact CB-CB 4.41Å; L107-L133 HydrophobicContact CD1-CD1 3.43Å; L107-L133 VanDerWaalsContact CD1-CD1 3.43Å; K129-L133 WeakPolarHBondContact O-CG 3.1Å; K129-L133 PolarHBondContact O-N 3.37Å; K129-L133 VanDerWaalsContact O-N 3.11Å; A130-L133 PolarHBondContact O-N 2.92Å; L131-L133 VanDerWaalsContact C-N 3.33Å
134	K	94.1	Very high	90.3	Very high	87 Å²	87	51.2 Å²	51.2	38%	0.378	26%	0.26	S	S	.	.			trans	-135.7	92.8	179.6	-172.2	178.5	179.6	-179.3	0	109.8	E104 A130 L131 D136 F137	E104-K134 HydrophobicContact CB-CB 4.35Å; E104-K134 HydrophobicContact CG-CB 4.09Å; E104-K134 HydrophobicContact CG-CD 3.93Å; E104-K134 WeakPolarHBondContact OE1-CD 3.17Å; E104-K134 IonicContact OE1-NZ 3.75Å; A130-K134 PolarHBondContact O-N 3.33Å; L131-K134 CarbonylContact O-C 3.53Å; K134-D136 PolarHBondContact O-N 3.41Å; K134-F137 HydrophobicContact CB-CB 4.09Å; K134-F137 HydrophobicContact CD-CB 3.96Å; K134-F137 HydrophobicContact CD-CG 4.27Å; K134-F137 HydrophobicContact CG-CB 3.95Å; K134-F137 VanDerWaalsContact O-CB 3.27Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; K134-F137 PolarHBondContact O-N 3.14Å
135	P	89.6	Confident	90	Very high	100 Å²	100	53.6 Å²	53.6	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.4	-179.2	-27.7	36	0	0	0	114.1	L131 F137	L131-P135 WeakPolarHBondContact O-CA 3.41Å; L131-P135 WeakPolarHBondContact O-CD 3.4Å; P135-F137 VanDerWaalsContact C-N 3.34Å; P135-F137 PolarHBondContact O-N 3.17Å
136	D	85.8	Confident	89.6	Confident	114 Å²	114	55.3 Å²	55.3	61%	0.61	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	55.9	174.2	-164.7	27.8	0	0	0	110.7	K134 P138	K134-D136 PolarHBondContact O-N 3.41Å; D136-P138 WeakPolarHBondContact O-CD 3.35Å
137	F	89.6	Confident	89.2	Confident	11 Å²	11	54.1 Å²	54.1	5%	0.048	26%	0.259	C	S	.	.			trans	-109.8	93.8	171.4	-170.7	-165.8	0	0	0	109.4	E104 V105 N108 A130 K134 P135 E139 A140 R141	E104-F137 HydrophobicContact CB-CD1 4.01Å; E104-F137 HydrophobicContact CB-CE1 4.11Å; E104-F137 HydrophobicContact CG-CD1 3.77Å; E104-F137 HydrophobicContact CG-CE1 3.81Å; E104-F137 HydrophobicContact CG-CG 4.44Å; E104-F137 HydrophobicContact CG-CZ 4.49Å; E104-F137 WeakPolarHBondContact O-CE1 3.3Å; V105-F137 HydrophobicContact CG2-CZ 4.32Å; N108-F137 HydrophobicContact CB-CE1 3.63Å; N108-F137 HydrophobicContact CB-CZ 4.04Å; A130-F137 HydrophobicContact CB-CD1 4.25Å; A130-F137 HydrophobicContact CB-CE1 4.46Å; K134-F137 HydrophobicContact CB-CB 4.09Å; K134-F137 HydrophobicContact CD-CB 3.96Å; K134-F137 HydrophobicContact CD-CG 4.27Å; K134-F137 HydrophobicContact CG-CB 3.95Å; K134-F137 VanDerWaalsContact O-CB 3.27Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; K134-F137 PolarHBondContact O-N 3.14Å; P135-F137 VanDerWaalsContact C-N 3.34Å; P135-F137 PolarHBondContact O-N 3.17Å; F137-E139 VanDerWaalsContact C-N 3.32Å; F137-E139 HydrophobicContact CD2-CB 4.34Å; F137-E139 WeakPolarHBondContact CD2-OE2 3.36Å; F137-E139 HydrophobicContact CE2-CB 3.84Å; F137-E139 HydrophobicContact CE2-CG 4.27Å; F137-E139 WeakPolarHBondContact CE2-OE2 3.33Å; F137-E139 HydrophobicContact CZ-CB 4.25Å; F137-E139 PolarHBondContact O-N 3.17Å; F137-A140 HydrophobicContact CB-CB 4.26Å; F137-A140 HydrophobicContact CD1-CB 3.34Å; F137-A140 HydrophobicContact CE1-CB 3.77Å; F137-A140 HydrophobicContact CG-CB 3.89Å; F137-A140 PolarHBondContact O-N 3.22Å; F137-R141 WeakPolarHBondContact O-CB 3.23Å; F137-R141 PolarHBondContact O-N 3.34Å
138	P	82.8	Confident	88.8	Confident	57 Å²	57	54.1 Å²	54.1	37%	0.37	26%	0.259	S	S	.	.	H	α-helix	trans	-55.1	-43.5	-172.3	-27.8	35.7	0	0	0	113.9	D136 R141 E142	D136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-R141 WeakPolarHBondContact O-CB 3.46Å; P138-R141 PolarHBondContact O-N 3.06Å; P138-E142 PolarHBondContact O-N 3.19Å
139	E	85.1	Confident	88.4	Confident	79 Å²	79	54.5 Å²	54.5	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-46.8	-176.2	-63.3	86.6	160.2	0	0	111.7	F137 R141 E142 N143	F137-E139 VanDerWaalsContact C-N 3.32Å; F137-E139 HydrophobicContact CD2-CB 4.34Å; F137-E139 WeakPolarHBondContact CD2-OE2 3.36Å; F137-E139 HydrophobicContact CE2-CB 3.84Å; F137-E139 HydrophobicContact CE2-CG 4.27Å; F137-E139 WeakPolarHBondContact CE2-OE2 3.33Å; F137-E139 HydrophobicContact CZ-CB 4.25Å; F137-E139 PolarHBondContact O-N 3.17Å; E139-R141 VanDerWaalsContact C-N 3.28Å; E139-R141 PolarHBondContact O-N 3.42Å; E139-E142 PolarHBondContact O-N 3.48Å; E139-N143 WeakPolarHBondContact O-CB 3.25Å; E139-N143 PolarHBondContact O-N 3.2Å; E139-N143 PolarHBondContact O-ND2 3.08Å
140	A	90.6	Very high	87.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-33.6	175.3	0	0	0	0	0	112.3	N108 A130 L131 F137 F144	N108-A140 HydrophobicContact CB-CB 4.24Å; N108-A140 WeakPolarHBondContact OD1-CA 3.48Å; N108-A140 PolarHBondContact OD1-N 3.15Å; A130-A140 HydrophobicContact CB-CB 3.9Å; L131-A140 HydrophobicContact CD2-CB 4.07Å; L131-A140 HydrophobicContact CG-CB 4.15Å; F137-A140 HydrophobicContact CB-CB 4.26Å; F137-A140 HydrophobicContact CD1-CB 3.34Å; F137-A140 HydrophobicContact CE1-CB 3.77Å; F137-A140 HydrophobicContact CG-CB 3.89Å; F137-A140 PolarHBondContact O-N 3.22Å; A140-F144 VanDerWaalsContact O-CB 3.28Å; A140-F144 WeakPolarHBondContact O-CB 3.07Å; A140-F144 PolarHBondContact O-N 2.97Å
141	R	87.3	Confident	87.5	Confident	86 Å²	86	56.4 Å²	56.4	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-46.9	178.5	-174.6	169.1	61.2	-170	-9	111.1	L131 F137 P138 E139 F144 Y145	L131-R141 HydrophobicContact CD2-CB 3.78Å; F137-R141 WeakPolarHBondContact O-CB 3.23Å; F137-R141 PolarHBondContact O-N 3.34Å; P138-R141 WeakPolarHBondContact O-CB 3.46Å; P138-R141 PolarHBondContact O-N 3.06Å; E139-R141 VanDerWaalsContact C-N 3.28Å; E139-R141 PolarHBondContact O-N 3.42Å; R141-F144 PolarHBondContact O-N 2.88Å; R141-Y145 WeakPolarHBondContact CD-OH 3.17Å; R141-Y145 HydrophobicContact CG-CD2 4.21Å; R141-Y145 HydrophobicContact CG-CE1 4.23Å; R141-Y145 HydrophobicContact CG-CE2 3.46Å; R141-Y145 VanDerWaalsContact CG-CE2 3.46Å; R141-Y145 VanDerWaalsContact CG-CZ 3.47Å; R141-Y145 VanDerWaalsContact O-CD2 3.28Å; R141-Y145 WeakPolarHBondContact O-CD2 3.49Å; R141-Y145 VanDerWaalsContact O-CG 3.27Å; R141-Y145 PolarHBondContact O-N 3.35Å
142	E	82.1	Confident	87.3	Confident	27 Å²	27	55 Å²	55	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-45.5	176.3	-174.3	179.3	162.4	0	0	111.6	P138 E139 F144 Y145 R146 H829 T832	P138-E142 PolarHBondContact O-N 3.19Å; E139-E142 PolarHBondContact O-N 3.48Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.48Å; E142-Y145 PolarHBondContact O-N 3.25Å; E142-R146 WeakPolarHBondContact O-CG 3.38Å; E142-R146 PolarHBondContact O-N 3.29Å; E142-H829 IonicContact OE2-CD2 3.81Å; E142-H829 PolarHBondContact OE2-CD2 2.95Å; E142-H829 IonicContact OE2-CG 3.5Å; E142-T832 HydrophobicContact CG-CG2 4.47Å; E142-T832 WeakPolarHBondContact OE1-CB 3.31Å; E142-T832 PolarHBondContact OE1-OG1 2.65Å
143	N	87.7	Confident	87.1	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-41	175.7	-79.2	-25.3	0	0	0	112	N108 F127 E139 Y145 R146 V147	N108-N143 PolarHBondContact OD1-ND2 3.41Å; F127-N143 HydrophobicContact CD1-CB 3.72Å; F127-N143 HydrophobicContact CD2-CB 4.19Å; F127-N143 HydrophobicContact CE1-CB 3.41Å; F127-N143 VanDerWaalsContact CE1-CB 3.41Å; F127-N143 HydrophobicContact CE2-CB 3.93Å; F127-N143 HydrophobicContact CG-CB 4.12Å; F127-N143 HydrophobicContact CZ-CB 3.53Å; E139-N143 WeakPolarHBondContact O-CB 3.25Å; E139-N143 PolarHBondContact O-N 3.2Å; E139-N143 PolarHBondContact O-ND2 3.08Å; N143-Y145 PolarHBondContact O-N 3.36Å; N143-R146 WeakPolarHBondContact O-CB 3.27Å; N143-R146 PolarHBondContact O-N 3.31Å; N143-R146 PolarHBondContact OD1-NH1 2.75Å; N143-R146 VanDerWaalsContact OD1-NH1 3.08Å; N143-V147 WeakPolarHBondContact O-CG2 3.43Å; N143-V147 PolarHBondContact O-N 2.85Å; N143-V147 VanDerWaalsContact O-N 3.14Å
144	F	89.8	Confident	86.7	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-44.5	173.9	-174.9	-95.7	0	0	0	111.8	A124 F127 H128 L131 A140 R141 E142 R146 V147 A148 Q725 F726	A124-F144 HydrophobicContact CB-CD2 4.45Å; A124-F144 HydrophobicContact CB-CE2 4.18Å; F127-F144 HydrophobicContact CB-CB 3.91Å; F127-F144 HydrophobicContact CB-CD2 4.02Å; F127-F144 HydrophobicContact CB-CG 4.47Å; H128-F144 HydrophobicContact CB-CD2 4.42Å; H128-F144 HydrophobicContact CB-CE2 4.14Å; L131-F144 HydrophobicContact CD1-CB 3.88Å; L131-F144 HydrophobicContact CD1-CG 4.12Å; A140-F144 VanDerWaalsContact O-CB 3.28Å; A140-F144 WeakPolarHBondContact O-CB 3.07Å; A140-F144 PolarHBondContact O-N 2.97Å; R141-F144 PolarHBondContact O-N 2.88Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.48Å; F144-R146 VanDerWaalsContact C-N 3.31Å; F144-R146 PolarHBondContact O-N 3.49Å; F144-V147 CarbonylContact O-C 3.45Å; F144-V147 PolarHBondContact O-N 2.87Å; F144-V147 VanDerWaalsContact O-N 3.12Å; F144-A148 HydrophobicContact CD1-CB 4.45Å; F144-A148 HydrophobicContact CE1-CB 4.19Å; F144-A148 WeakPolarHBondContact O-CB 3.42Å; F144-A148 PolarHBondContact O-N 3.23Å; F144-Q725 VanDerWaalsContact CE1-O 3.26Å; F144-Q725 WeakPolarHBondContact CE1-O 3.45Å; F144-F726 HydrophobicContact CE1-CD1 4.41Å; F144-F726 AromaticContact CZ-CD1 3.92Å; F144-F726 HydrophobicContact CZ-CD1 3.92Å; F144-F726 AromaticContact CZ-CE1 3.96Å; F144-F726 HydrophobicContact CZ-CE1 3.96Å
145	Y	85.1	Confident	86.4	Confident	57 Å²	57	50.6 Å²	50.6	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-39.7	176.6	-63.6	-34	0	0	0	112.8	R141 E142 N143 V147 A148 N149 T727 P729	R141-Y145 WeakPolarHBondContact CD-OH 3.17Å; R141-Y145 HydrophobicContact CG-CD2 4.21Å; R141-Y145 HydrophobicContact CG-CE1 4.23Å; R141-Y145 HydrophobicContact CG-CE2 3.46Å; R141-Y145 VanDerWaalsContact CG-CE2 3.46Å; R141-Y145 VanDerWaalsContact CG-CZ 3.47Å; R141-Y145 VanDerWaalsContact O-CD2 3.28Å; R141-Y145 WeakPolarHBondContact O-CD2 3.49Å; R141-Y145 VanDerWaalsContact O-CG 3.27Å; R141-Y145 PolarHBondContact O-N 3.35Å; E142-Y145 PolarHBondContact O-N 3.25Å; N143-Y145 PolarHBondContact O-N 3.36Å; Y145-V147 VanDerWaalsContact C-N 3.28Å; Y145-V147 PolarHBondContact O-N 3.42Å; Y145-A148 PolarHBondContact O-N 3.05Å; Y145-N149 PolarHBondContact O-N 3.38Å; Y145-T727 VanDerWaalsContact CD1-O 3.3Å; Y145-T727 WeakPolarHBondContact CD1-O 3.23Å; Y145-T727 WeakPolarHBondContact CE1-O 3.44Å; Y145-P729 HydrophobicContact CD2-CG 3.55Å; Y145-P729 HydrophobicContact CE2-CB 4.41Å; Y145-P729 HydrophobicContact CE2-CG 3.38Å; Y145-P729 HydrophobicContact CG-CG 4.3Å
146	R	81.8	Confident	86.5	Confident	68 Å²	68	46.9 Å²	46.9	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-60.5	-39.5	175.4	-69.5	169.8	64.5	-150.8	3.6	111.7	E142 N143 F144	E142-R146 WeakPolarHBondContact O-CG 3.38Å; E142-R146 PolarHBondContact O-N 3.29Å; N143-R146 WeakPolarHBondContact O-CB 3.27Å; N143-R146 PolarHBondContact O-N 3.31Å; N143-R146 PolarHBondContact OD1-NH1 2.75Å; N143-R146 VanDerWaalsContact OD1-NH1 3.08Å; F144-R146 VanDerWaalsContact C-N 3.31Å; F144-R146 PolarHBondContact O-N 3.49Å
147	V	87.4	Confident	86.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-78.9	-35.3	178.1	-173.8	0	0	0	0	112.1	F115 R120 A123 A124 F127 N143 F144 Y145 N149 W150 L151	F115-V147 HydrophobicContact CB-CG2 4.36Å; F115-V147 HydrophobicContact CD2-CB 4.34Å; F115-V147 HydrophobicContact CD2-CG1 4.41Å; F115-V147 HydrophobicContact CD2-CG2 3.31Å; F115-V147 HydrophobicContact CE2-CB 4.35Å; F115-V147 HydrophobicContact CE2-CG2 3.63Å; F115-V147 HydrophobicContact CG-CG2 3.85Å; F115-V147 HydrophobicContact CZ-CG2 4.39Å; R120-V147 HydrophobicContact CB-CG1 4.18Å; R120-V147 VanDerWaalsContact O-CG1 3.28Å; R120-V147 WeakPolarHBondContact O-CG1 3.46Å; A123-V147 HydrophobicContact CB-CG2 4.48Å; A124-V147 HydrophobicContact CB-CB 4.5Å; A124-V147 HydrophobicContact CB-CG1 3.83Å; F127-V147 HydrophobicContact CD2-CG2 3.92Å; F127-V147 HydrophobicContact CE2-CG2 3.49Å; F127-V147 VanDerWaalsContact CE2-CG2 3.49Å; N143-V147 WeakPolarHBondContact O-CG2 3.43Å; N143-V147 PolarHBondContact O-N 2.85Å; N143-V147 VanDerWaalsContact O-N 3.14Å; F144-V147 CarbonylContact O-C 3.45Å; F144-V147 PolarHBondContact O-N 2.87Å; F144-V147 VanDerWaalsContact O-N 3.12Å; Y145-V147 VanDerWaalsContact C-N 3.28Å; Y145-V147 PolarHBondContact O-N 3.42Å; V147-N149 PolarHBondContact O-N 3.46Å; V147-W150 WeakPolarHBondContact O-CB 3.47Å; V147-W150 PolarHBondContact O-N 2.91Å; V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CD2 4.4Å; V147-L151 HydrophobicContact CG1-CG 3.92Å; V147-L151 PolarHBondContact O-N 2.98Å
148	A	86.6	Confident	87	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-36.5	-178.3	0	0	0	0	0	112.6	F144 Y145 W150 L151 V152 R154 F726 V728	F144-A148 HydrophobicContact CD1-CB 4.45Å; F144-A148 HydrophobicContact CE1-CB 4.19Å; F144-A148 WeakPolarHBondContact O-CB 3.42Å; F144-A148 PolarHBondContact O-N 3.23Å; Y145-A148 PolarHBondContact O-N 3.05Å; A148-W150 PolarHBondContact O-N 3.31Å; A148-L151 PolarHBondContact O-N 3.42Å; A148-V152 PolarHBondContact O-N 3.25Å; A148-V152 VanDerWaalsContact O-N 3.1Å; A148-R154 PolarHBondContact O-NH2 3.47Å; A148-F726 HydrophobicContact CB-CB 4.34Å; A148-F726 HydrophobicContact CB-CD1 4.3Å; A148-V728 HydrophobicContact CB-CG2 4.43Å
149	N	80.6	Confident	87.5	Confident	60 Å²	60	40.7 Å²	40.7	32%	0.321	17%	0.174	S	C	.	.	H	α-helix	trans	-59	-28.1	173.7	-82.1	-25.3	0	0	0	113.8	Y145 V147 V728	Y145-N149 PolarHBondContact O-N 3.38Å; V147-N149 PolarHBondContact O-N 3.46Å; N149-V728 VanDerWaalsContact OD1-CG2 3.29Å; N149-V728 WeakPolarHBondContact OD1-CG2 3.32Å
150	W	83.6	Confident	88.1	Confident	136 Å²	136	37.2 Å²	37.2	52%	0.515	16%	0.158	S	C	.	.	H	α-helix	trans	-91.2	-20.6	178	-61.1	91.7	0	0	0	113.8	F115 R120 V147 A148	F115-W150 AromaticContact CE2-CD1 3.86Å; F115-W150 AromaticContact CE2-NE1 3.93Å; F115-W150 AromaticContact CZ-NE1 3.76Å; R120-W150 VanDerWaalsContact CZ-CZ3 3.45Å; V147-W150 WeakPolarHBondContact O-CB 3.47Å; V147-W150 PolarHBondContact O-N 2.91Å; A148-W150 PolarHBondContact O-N 3.31Å
151	L	87.5	Confident	88.3	Confident	16 Å²	16	38 Å²	38	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-91.2	-35.6	-174.8	-65	-174.9	0	0	0	112.9	R120 D121 A124 V147 A148 T214 F726	R120-L151 HydrophobicContact CB-CD2 4.05Å; D121-L151 WeakPolarHBondContact OD1-CD2 3.29Å; A124-L151 HydrophobicContact CB-CD1 3.28Å; V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CD2 4.4Å; V147-L151 HydrophobicContact CG1-CG 3.92Å; V147-L151 PolarHBondContact O-N 2.98Å; A148-L151 PolarHBondContact O-N 3.42Å; L151-T214 HydrophobicContact CB-CG2 4.06Å; L151-F726 HydrophobicContact CD1-CE1 4.31Å
152	V	89.8	Confident	88.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-128.4	115.9	178.9	-179.3	0	0	0	0	107.2	A148 R154 H156 F157 T214 M215 I723 F726	A148-V152 PolarHBondContact O-N 3.25Å; A148-V152 VanDerWaalsContact O-N 3.1Å; V152-R154 VanDerWaalsContact O-CZ 3.27Å; V152-R154 PolarHBondContact O-NE 3.25Å; V152-R154 VanDerWaalsContact O-NE 3.09Å; V152-R154 PolarHBondContact O-NH2 2.97Å; V152-H156 HydrophobicContact CG1-CB 4.32Å; V152-F157 HydrophobicContact CG1-CE2 4.17Å; V152-T214 HydrophobicContact CG2-CG2 4.04Å; V152-M215 HydrophobicContact CB-SD 4.49Å; V152-M215 HydrophobicContact CG1-SD 4.11Å; V152-M215 HydrophobicContact CG2-SD 3.94Å; V152-I723 HydrophobicContact CG1-CD1 4.17Å; V152-I723 HydrophobicContact CG1-CG1 4.2Å; V152-F726 HydrophobicContact CB-CB 4.18Å; V152-F726 HydrophobicContact CB-CG 4.42Å; V152-F726 HydrophobicContact CG2-CB 3.94Å; V152-F726 HydrophobicContact CG2-CD1 3.84Å; V152-F726 HydrophobicContact CG2-CD2 3.99Å; V152-F726 HydrophobicContact CG2-CE1 4.32Å; V152-F726 HydrophobicContact CG2-CE2 4.47Å; V152-F726 HydrophobicContact CG2-CG 3.65Å
153	E	87.4	Confident	89.1	Confident	99 Å²	99	36 Å²	36	46%	0.463	16%	0.157	S	C	.	.			trans	-65	143	176	-69	-64.7	166.9	0	0	111.5	W155 H156	E153-W155 VanDerWaalsContact C-N 3.27Å; E153-W155 VanDerWaalsContact CB-CD1 3.46Å; E153-W155 HydrophobicContact CB-CD2 4.43Å; E153-W155 HydrophobicContact CB-CG 4.26Å; E153-W155 HydrophobicContact CB-CZ2 4.27Å; E153-W155 HydrophobicContact CG-CZ2 4.49Å; E153-W155 PolarHBondContact O-N 3.17Å; E153-H156 WeakPolarHBondContact O-CB 3.38Å; E153-H156 PolarHBondContact O-CD2 2.97Å; E153-H156 PolarHBondContact O-N 2.61Å
154	R	87	Confident	89.4	Confident	53 Å²	53	37.6 Å²	37.6	20%	0.2	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.2	-171.1	-60.3	-59.9	92.9	179.5	10.8	113	A148 V152 H156 F157 F726	A148-R154 PolarHBondContact O-NH2 3.47Å; V152-R154 VanDerWaalsContact O-CZ 3.27Å; V152-R154 PolarHBondContact O-NE 3.25Å; V152-R154 VanDerWaalsContact O-NE 3.09Å; V152-R154 PolarHBondContact O-NH2 2.97Å; R154-H156 PolarHBondContact O-N 3.41Å; R154-F157 WeakPolarHBondContact O-CD2 3.41Å; R154-F157 PolarHBondContact O-N 2.97Å; R154-F157 VanDerWaalsContact O-N 3.13Å; R154-F726 PolarHBondContact NH1-O 3.32Å; R154-F726 PolarHBondContact NH2-O 2.99Å; R154-F726 VanDerWaalsContact NH2-O 3.13Å
155	W	87.1	Confident	89.6	Confident	80 Å²	80	37.6 Å²	37.6	30%	0.303	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-21.2	178.1	55.2	-91.5	0	0	0	112.9	E153 F157 L158 M159	E153-W155 VanDerWaalsContact C-N 3.27Å; E153-W155 VanDerWaalsContact CB-CD1 3.46Å; E153-W155 HydrophobicContact CB-CD2 4.43Å; E153-W155 HydrophobicContact CB-CG 4.26Å; E153-W155 HydrophobicContact CB-CZ2 4.27Å; E153-W155 HydrophobicContact CG-CZ2 4.49Å; E153-W155 PolarHBondContact O-N 3.17Å; W155-F157 VanDerWaalsContact C-N 3.25Å; W155-F157 PolarHBondContact O-N 3.34Å; W155-L158 PolarHBondContact O-N 3Å; W155-M159 HydrophobicContact CD2-CE 4.29Å; W155-M159 HydrophobicContact CE3-CE 3.15Å; W155-M159 HydrophobicContact CE3-CG 3.99Å; W155-M159 HydrophobicContact CE3-SD 3.22Å; W155-M159 HydrophobicContact CH2-CE 4.04Å; W155-M159 HydrophobicContact CZ3-CE 3.01Å; W155-M159 HydrophobicContact CZ3-SD 3.26Å; W155-M159 WeakPolarHBondContact CZ3-SD 3.38Å; W155-M159 WeakPolarHBondContact O-CB 3.48Å; W155-M159 VanDerWaalsContact O-CG 3.27Å; W155-M159 WeakPolarHBondContact O-CG 3.43Å; W155-M159 PolarHBondContact O-N 3.05Å
156	H	93.1	Very high	90.2	Very high	22 Å²	22	35 Å²	35	10%	0.102	17%	0.165	C	C	.	.	H	α-helix	trans	-56.9	-36.4	171.7	-75.7	-60.6	0	0	0	113.4	V152 E153 R154 M159 L160 I723	V152-H156 HydrophobicContact CG1-CB 4.32Å; E153-H156 WeakPolarHBondContact O-CB 3.38Å; E153-H156 PolarHBondContact O-CD2 2.97Å; E153-H156 PolarHBondContact O-N 2.61Å; R154-H156 PolarHBondContact O-N 3.41Å; H156-M159 WeakPolarHBondContact ND1-CE 3.44Å; H156-L160 WeakPolarHBondContact O-CB 3.36Å; H156-L160 WeakPolarHBondContact O-CD1 3.43Å; H156-L160 WeakPolarHBondContact O-CG 3.46Å; H156-L160 PolarHBondContact O-N 2.87Å; H156-I723 HydrophobicContact CB-CD1 3.81Å
157	F	94	Very high	90.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-46.9	179	-63.6	-83.7	0	0	0	111.1	V152 R154 W155 L160 N161 L704 V708 I723 F726 T727	V152-F157 HydrophobicContact CG1-CE2 4.17Å; R154-F157 WeakPolarHBondContact O-CD2 3.41Å; R154-F157 PolarHBondContact O-N 2.97Å; R154-F157 VanDerWaalsContact O-N 3.13Å; W155-F157 VanDerWaalsContact C-N 3.25Å; W155-F157 PolarHBondContact O-N 3.34Å; F157-L160 PolarHBondContact O-N 3.08Å; F157-N161 WeakPolarHBondContact O-CB 3.34Å; F157-N161 PolarHBondContact O-N 2.62Å; F157-N161 PolarHBondContact O-ND2 3.39Å; F157-L704 CarbonylContact C-O 3.51Å; F157-V708 HydrophobicContact CD1-CG2 4.03Å; F157-I723 HydrophobicContact CE1-CG1 3.99Å; F157-I723 HydrophobicContact CE1-CG2 4.24Å; F157-I723 HydrophobicContact CZ-CG1 4.02Å; F157-F726 HydrophobicContact CZ-CB 4.47Å; F157-T727 HydrophobicContact CE1-CG2 4.2Å
158	L	91.1	Very high	91.4	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-48.7	174.9	-78.3	176	0	0	0	111.9	W155 L160 N161 D162 C435 E705	W155-L158 PolarHBondContact O-N 3Å; L158-L160 PolarHBondContact O-N 2.84Å; L158-N161 CarbonylContact O-C 3.47Å; L158-N161 PolarHBondContact O-N 2.86Å; L158-D162 PolarHBondContact O-N 3.07Å; L158-C435 HydrophobicContact CB-CB 3.83Å; L158-E705 HydrophobicContact CD1-CG 3.98Å; L158-E705 HydrophobicContact CD2-CB 4.37Å; L158-E705 HydrophobicContact CD2-CG 3.42Å; L158-E705 VanDerWaalsContact CD2-CG 3.42Å; L158-E705 HydrophobicContact CG-CG 3.78Å
159	M	93.8	Very high	91.9	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.054	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-44.9	179.2	-78.2	-159.7	-46.2	0	0	113.3	W155 H156 N161 D162 R165 C435 W436	W155-M159 HydrophobicContact CD2-CE 4.29Å; W155-M159 HydrophobicContact CE3-CE 3.15Å; W155-M159 HydrophobicContact CE3-CG 3.99Å; W155-M159 HydrophobicContact CE3-SD 3.22Å; W155-M159 HydrophobicContact CH2-CE 4.04Å; W155-M159 HydrophobicContact CZ3-CE 3.01Å; W155-M159 HydrophobicContact CZ3-SD 3.26Å; W155-M159 WeakPolarHBondContact CZ3-SD 3.38Å; W155-M159 WeakPolarHBondContact O-CB 3.48Å; W155-M159 VanDerWaalsContact O-CG 3.27Å; W155-M159 WeakPolarHBondContact O-CG 3.43Å; W155-M159 PolarHBondContact O-N 3.05Å; H156-M159 WeakPolarHBondContact ND1-CE 3.44Å; M159-N161 VanDerWaalsContact C-N 3.25Å; M159-N161 PolarHBondContact O-N 3.47Å; M159-D162 PolarHBondContact O-N 3.45Å; M159-R165 VanDerWaalsContact CB-NH1 3.3Å; M159-R165 VanDerWaalsContact CG-NH1 3.3Å; M159-R165 PolarHBondContact SD-NH1 3.26Å; M159-C435 HydrophobicContact CG-CB 4.23Å; M159-W436 HydrophobicContact SD-CZ2 4.35Å
160	L	96.6	Very high	92.8	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-28.5	178.6	-73.1	167.5	0	0	0	112.1	H156 F157 L158 N166 T191 I193 V708 P713 T714 I719 I723	H156-L160 WeakPolarHBondContact O-CB 3.36Å; H156-L160 WeakPolarHBondContact O-CD1 3.43Å; H156-L160 WeakPolarHBondContact O-CG 3.46Å; H156-L160 PolarHBondContact O-N 2.87Å; F157-L160 PolarHBondContact O-N 3.08Å; L158-L160 PolarHBondContact O-N 2.84Å; L160-N166 PolarHBondContact O-ND2 3.03Å; L160-N166 VanDerWaalsContact O-ND2 3.1Å; L160-T191 HydrophobicContact CD1-CG2 3.79Å; L160-T191 HydrophobicContact CD2-CG2 4.37Å; L160-I193 HydrophobicContact CD2-CD1 4.12Å; L160-V708 HydrophobicContact CB-CG1 4.21Å; L160-V708 HydrophobicContact CB-CG2 3.67Å; L160-V708 HydrophobicContact CD1-CG2 3.7Å; L160-V708 HydrophobicContact CG-CG2 4.36Å; L160-P713 CarbonylContact O-C 3.56Å; L160-P713 WeakPolarHBondContact O-CB 3.32Å; L160-T714 HydrophobicContact CB-CG2 4.23Å; L160-T714 HydrophobicContact CD2-CG2 4.22Å; L160-I719 HydrophobicContact CD1-CG2 4.07Å; L160-I719 HydrophobicContact CD2-CD1 4.08Å; L160-I719 HydrophobicContact CD2-CG2 4.35Å; L160-I723 HydrophobicContact CD1-CD1 3.54Å; L160-I723 HydrophobicContact CD1-CG2 4.11Å
161	N	95.5	Very high	93.5	Very high	18 Å²	18	38 Å²	38	10%	0.096	18%	0.179	C	C	.	.	H	α-helix	trans	-78.9	-19.1	173.2	-78	-38.9	0	0	0	113.5	F157 L158 M159 H163 L704 A707 V708 Q709	F157-N161 WeakPolarHBondContact O-CB 3.34Å; F157-N161 PolarHBondContact O-N 2.62Å; F157-N161 PolarHBondContact O-ND2 3.39Å; L158-N161 CarbonylContact O-C 3.47Å; L158-N161 PolarHBondContact O-N 2.86Å; M159-N161 VanDerWaalsContact C-N 3.25Å; M159-N161 PolarHBondContact O-N 3.47Å; N161-H163 VanDerWaalsContact C-N 3.3Å; N161-H163 PolarHBondContact O-N 3.29Å; N161-L704 HydrophobicContact CB-CB 4.39Å; N161-L704 HydrophobicContact CB-CD2 3.82Å; N161-L704 WeakPolarHBondContact ND2-CA 3.38Å; N161-L704 PolarHBondContact ND2-O 2.94Å; N161-A707 PolarHBondContact ND2-O 3.41Å; N161-V708 WeakPolarHBondContact OD1-CA 3.47Å; N161-Q709 PolarHBondContact OD1-N 2.95Å
162	D	93.9	Very high	94	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	18%	0.176	C	C	.	.			trans	-72.4	82.8	175.4	-169.2	-23.5	0	0	0	111.1	L158 M159 G164 R165 N166	L158-D162 PolarHBondContact O-N 3.07Å; M159-D162 PolarHBondContact O-N 3.45Å; D162-G164 PolarHBondContact O-N 3.31Å; D162-G164 PolarHBondContact OD1-N 2.81Å; D162-R165 HydrophobicContact CB-CB 3.94Å; D162-R165 PolarHBondContact O-N 3.22Å; D162-R165 WeakPolarHBondContact OD1-CB 3.47Å; D162-R165 PolarHBondContact OD1-N 3.34Å; D162-R165 WeakPolarHBondContact OD2-CB 3.11Å; D162-N166 VanDerWaalsContact O-CG 3.25Å; D162-N166 PolarHBondContact O-N 3Å; D162-N166 PolarHBondContact O-ND2 2.81Å
163	H	92.9	Very high	94.4	Very high	41 Å²	41	37.2 Å²	37.2	19%	0.19	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-33.4	-179.2	-172.4	36.7	0	0	0	112.4	N161 R167 E712 P713	N161-H163 VanDerWaalsContact C-N 3.3Å; N161-H163 PolarHBondContact O-N 3.29Å; H163-R167 PolarHBondContact CD2-NH2 2.82Å; H163-R167 PolarHBondContact NE2-NH2 2.9Å; H163-R167 VanDerWaalsContact O-CB 3.28Å; H163-R167 WeakPolarHBondContact O-CB 3.4Å; H163-R167 PolarHBondContact O-N 3.18Å; H163-E712 IonicContact CD2-OE1 2.67Å; H163-E712 IonicContact NE2-OE1 3.39Å; H163-P713 HydrophobicContact CB-CB 4.26Å; H163-P713 PolarHBondContact ND1-O 2.93Å
164	G	92.8	Very high	94.9	Very high	41 Å²	41	36.3 Å²	36.3	42%	0.423	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-47.7	179.1	0	0	0	0	0	111.6	D162 R167 K168	D162-G164 PolarHBondContact O-N 3.31Å; D162-G164 PolarHBondContact OD1-N 2.81Å; G164-R167 PolarHBondContact O-N 3.47Å; G164-K168 WeakPolarHBondContact O-CG 3.4Å; G164-K168 PolarHBondContact O-N 2.91Å
165	R	94.9	Very high	95.4	Very high	10 Å²	10	36 Å²	36	4%	0.038	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-52.1	173.9	-176	-147.2	136.6	179.2	-2.6	111.6	M159 D162 R167 K168 Y169 E258 L426	M159-R165 VanDerWaalsContact CB-NH1 3.3Å; M159-R165 VanDerWaalsContact CG-NH1 3.3Å; M159-R165 PolarHBondContact SD-NH1 3.26Å; D162-R165 HydrophobicContact CB-CB 3.94Å; D162-R165 PolarHBondContact O-N 3.22Å; D162-R165 WeakPolarHBondContact OD1-CB 3.47Å; D162-R165 PolarHBondContact OD1-N 3.34Å; D162-R165 WeakPolarHBondContact OD2-CB 3.11Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.02Å; R165-K168 PolarHBondContact O-N 3.34Å; R165-Y169 HydrophobicContact CG-CD2 4.21Å; R165-Y169 HydrophobicContact CG-CE2 4.44Å; R165-Y169 PolarHBondContact O-N 3.05Å; R165-E258 IonicContact CZ-OE1 2.78Å; R165-E258 IonicContact CZ-OE2 3.74Å; R165-E258 IonicContact NE-OE1 3Å; R165-E258 VanDerWaalsContact NH1-CD 3.3Å; R165-E258 IonicContact NH1-OE1 3.99Å; R165-E258 PolarHBondContact NH1-OE1 2.78Å; R165-E258 IonicContact NH1-OE2 3.73Å; R165-E258 PolarHBondContact NH1-OE2 3.03Å; R165-E258 IonicContact NH2-OE1 3.07Å; R165-E258 PolarHBondContact NH2-OE1 3.38Å; R165-E258 IonicContact NH2-OE2 3.16Å; R165-E258 PolarHBondContact NH2-OE2 3.35Å; R165-L426 HydrophobicContact CB-CD2 4.22Å; R165-L426 HydrophobicContact CG-CD1 3.83Å; R165-L426 HydrophobicContact CG-CD2 4.11Å
166	N	96.5	Very high	95.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-41.9	-178.2	-69.8	-24.4	0	0	0	111.5	L160 D162 Q170 P713 L715	L160-N166 PolarHBondContact O-ND2 3.03Å; L160-N166 VanDerWaalsContact O-ND2 3.1Å; D162-N166 VanDerWaalsContact O-CG 3.25Å; D162-N166 PolarHBondContact O-N 3Å; D162-N166 PolarHBondContact O-ND2 2.81Å; N166-Q170 WeakPolarHBondContact O-CB 3.01Å; N166-Q170 PolarHBondContact O-N 2.94Å; N166-P713 PolarHBondContact ND2-O 2.84Å; N166-L715 HydrophobicContact CB-CD1 4.03Å; N166-L715 HydrophobicContact CB-CD2 4.04Å; N166-L715 HydrophobicContact CB-CG 3.98Å
167	R	97	Very high	96.1	Very high	120 Å²	120	31.6 Å²	31.6	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-64.7	-43.2	178.4	-171.8	-173.8	-64.7	178.3	-1.4	112.4	H163 G164 R165 Q170 Q171 L715	H163-R167 PolarHBondContact CD2-NH2 2.82Å; H163-R167 PolarHBondContact NE2-NH2 2.9Å; H163-R167 VanDerWaalsContact O-CB 3.28Å; H163-R167 WeakPolarHBondContact O-CB 3.4Å; H163-R167 PolarHBondContact O-N 3.18Å; G164-R167 PolarHBondContact O-N 3.47Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.02Å; R167-Q170 WeakPolarHBondContact O-CB 3.49Å; R167-Q170 PolarHBondContact O-N 3.01Å; R167-Q171 VanDerWaalsContact O-CG 3.29Å; R167-Q171 WeakPolarHBondContact O-CG 3.3Å; R167-Q171 PolarHBondContact O-N 2.58Å; R167-L715 HydrophobicContact CB-CD2 4.43Å
168	K	97.1	Very high	96.1	Very high	79 Å²	79	37.6 Å²	37.6	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-42.8	178.9	-75.6	172.4	171.1	-178.1	0	111.8	G164 R165 Q171 A172 L420 S425 L426	G164-K168 WeakPolarHBondContact O-CG 3.4Å; G164-K168 PolarHBondContact O-N 2.91Å; R165-K168 PolarHBondContact O-N 3.34Å; K168-Q171 PolarHBondContact O-N 3.02Å; K168-A172 PolarHBondContact O-N 3.02Å; K168-L420 HydrophobicContact CB-CD1 3.88Å; K168-S425 WeakPolarHBondContact CD-O 3.47Å; K168-S425 WeakPolarHBondContact CE-O 3.24Å; K168-S425 PolarHBondContact NZ-O 2.86Å; K168-L426 HydrophobicContact CB-CD2 4.1Å; K168-L426 HydrophobicContact CD-CD2 3.41Å; K168-L426 VanDerWaalsContact CD-CD2 3.41Å; K168-L426 HydrophobicContact CD-CG 4.38Å; K168-L426 HydrophobicContact CG-CD2 4.39Å
169	Y	98.1	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-46.9	171.7	-97	-80.7	0	0	0	111.8	R165 Q171 A172 I173 L194 V256 T257 E258 I301 L420 L426	R165-Y169 HydrophobicContact CG-CD2 4.21Å; R165-Y169 HydrophobicContact CG-CE2 4.44Å; R165-Y169 PolarHBondContact O-N 3.05Å; Y169-Q171 VanDerWaalsContact C-N 3.31Å; Y169-Q171 PolarHBondContact O-N 2.81Å; Y169-A172 PolarHBondContact O-N 3.25Å; Y169-I173 HydrophobicContact CD1-CD1 4.47Å; Y169-I173 WeakPolarHBondContact O-CB 3.34Å; Y169-I173 WeakPolarHBondContact O-CD1 3.48Å; Y169-I173 WeakPolarHBondContact O-CG1 3.43Å; Y169-I173 PolarHBondContact O-N 3.49Å; Y169-L194 HydrophobicContact CD1-CD1 4.05Å; Y169-L194 HydrophobicContact CD1-CD2 3.92Å; Y169-L194 HydrophobicContact CE1-CD1 4.06Å; Y169-L194 HydrophobicContact CG-CD2 3.91Å; Y169-V256 HydrophobicContact CD1-CG1 4.26Å; Y169-V256 HydrophobicContact CE1-CG1 4.16Å; Y169-T257 PolarHBondContact OH-O 2.91Å; Y169-T257 VanDerWaalsContact OH-O 3.11Å; Y169-E258 HydrophobicContact CE2-CG 4.1Å; Y169-E258 WeakPolarHBondContact OH-CG 3.48Å; Y169-I301 HydrophobicContact CD1-CG2 4.25Å; Y169-I301 HydrophobicContact CE1-CG2 4.08Å; Y169-L420 HydrophobicContact CD1-CD2 4.49Å; Y169-L420 HydrophobicContact CD2-CD1 4.11Å; Y169-L420 HydrophobicContact CD2-CD2 4.47Å; Y169-L420 HydrophobicContact CE1-CD2 4.06Å; Y169-L420 HydrophobicContact CE2-CD1 4.46Å; Y169-L420 HydrophobicContact CE2-CD2 4.03Å; Y169-L420 HydrophobicContact CG-CD1 4.15Å; Y169-L426 HydrophobicContact CD2-CD1 3.86Å; Y169-L426 HydrophobicContact CE2-CD1 3.48Å; Y169-L426 VanDerWaalsContact CE2-CD1 3.48Å
170	Q	98.2	Very high	96.2	Very high	44 Å²	44	41.8 Å²	41.8	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-44.8	176.9	177.3	-179.8	68.9	0	0	112	N166 R167 Q174 L715	N166-Q170 WeakPolarHBondContact O-CB 3.01Å; N166-Q170 PolarHBondContact O-N 2.94Å; R167-Q170 WeakPolarHBondContact O-CB 3.49Å; R167-Q170 PolarHBondContact O-N 3.01Å; Q170-Q174 WeakPolarHBondContact O-CB 3.18Å; Q170-Q174 PolarHBondContact O-N 3Å; Q170-L715 HydrophobicContact CB-CD1 3.82Å; Q170-L715 HydrophobicContact CG-CD1 4.33Å
171	Q	98.4	Very high	96.1	Very high	84 Å²	84	41.6 Å²	41.6	39%	0.393	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-47.3	179.7	-74.5	171	-18.9	0	0	111.9	R167 K168 Y169 Q174 K175 N424	R167-Q171 VanDerWaalsContact O-CG 3.29Å; R167-Q171 WeakPolarHBondContact O-CG 3.3Å; R167-Q171 PolarHBondContact O-N 2.58Å; K168-Q171 PolarHBondContact O-N 3.02Å; Y169-Q171 VanDerWaalsContact C-N 3.31Å; Y169-Q171 PolarHBondContact O-N 2.81Å; Q171-Q174 PolarHBondContact O-N 3.32Å; Q171-K175 WeakPolarHBondContact O-CB 3.27Å; Q171-K175 PolarHBondContact O-N 3.37Å; Q171-N424 PolarHBondContact OE1-OD1 2.82Å
172	A	98.4	Very high	96.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-45.5	178.6	0	0	0	0	0	111.9	K168 Y169 Q174 K175 A176 I301 L420 D421	K168-A172 PolarHBondContact O-N 3.02Å; Y169-A172 PolarHBondContact O-N 3.25Å; A172-Q174 PolarHBondContact O-N 3.39Å; A172-K175 PolarHBondContact O-N 2.9Å; A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 2.66Å; A172-I301 HydrophobicContact CB-CD1 4.2Å; A172-I301 HydrophobicContact CB-CG2 4.48Å; A172-L420 HydrophobicContact CB-CB 3.78Å; A172-L420 HydrophobicContact CB-CD1 4.37Å; A172-D421 WeakPolarHBondContact CA-OD2 3.27Å
173	I	98.6	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176	-66.9	166.9	0	0	0	110.4	Y169 K175 A176 V177 L194 C197 A198 V256 I301	Y169-I173 HydrophobicContact CD1-CD1 4.47Å; Y169-I173 WeakPolarHBondContact O-CB 3.34Å; Y169-I173 WeakPolarHBondContact O-CD1 3.48Å; Y169-I173 WeakPolarHBondContact O-CG1 3.43Å; Y169-I173 PolarHBondContact O-N 3.49Å; I173-K175 VanDerWaalsContact C-N 3.34Å; I173-K175 PolarHBondContact O-N 2.72Å; I173-A176 PolarHBondContact O-N 3.45Å; I173-V177 HydrophobicContact CG2-CG2 4.42Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 3.49Å; I173-L194 HydrophobicContact CD1-CB 4.17Å; I173-L194 HydrophobicContact CD1-CD2 4.22Å; I173-C197 HydrophobicContact CD1-CB 4.14Å; I173-A198 HydrophobicContact CG2-CB 3.79Å; I173-V256 HydrophobicContact CD1-CG1 4.02Å; I173-V256 HydrophobicContact CD1-CG2 4.37Å; I173-V256 HydrophobicContact CG1-CG1 4.3Å; I173-V256 HydrophobicContact CG1-CG2 4.05Å; I173-I301 HydrophobicContact CG1-CD1 4.31Å
174	Q	98.3	Very high	96.5	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-44.9	179.3	-179.1	176.8	3.9	0	0	111.6	Q170 Q171 A172 V177 Q178 A201	Q170-Q174 WeakPolarHBondContact O-CB 3.18Å; Q170-Q174 PolarHBondContact O-N 3Å; Q171-Q174 PolarHBondContact O-N 3.32Å; A172-Q174 PolarHBondContact O-N 3.39Å; Q174-V177 PolarHBondContact O-N 3.29Å; Q174-Q178 WeakPolarHBondContact O-CB 3.09Å; Q174-Q178 VanDerWaalsContact O-CG 3.24Å; Q174-Q178 WeakPolarHBondContact O-CG 3.38Å; Q174-Q178 PolarHBondContact O-N 3.41Å; Q174-A201 HydrophobicContact CB-CB 4.19Å; Q174-A201 HydrophobicContact CG-CB 4.28Å
175	K	97.7	Very high	96.8	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-44.5	176.3	-173.1	175.9	-175.9	174	0	111.3	Q171 A172 I173 V177 Q178 N179 E423	Q171-K175 WeakPolarHBondContact O-CB 3.27Å; Q171-K175 PolarHBondContact O-N 3.37Å; A172-K175 PolarHBondContact O-N 2.9Å; I173-K175 VanDerWaalsContact C-N 3.34Å; I173-K175 PolarHBondContact O-N 2.72Å; K175-V177 PolarHBondContact O-N 3.09Å; K175-Q178 PolarHBondContact O-N 2.94Å; K175-N179 VanDerWaalsContact O-CB 3.27Å; K175-N179 WeakPolarHBondContact O-CB 3.43Å; K175-N179 PolarHBondContact O-N 2.87Å; K175-N179 PolarHBondContact O-ND2 2.65Å; K175-E423 IonicContact NZ-OE1 2.7Å; K175-E423 PolarHBondContact NZ-OE1 2.97Å; K175-E423 IonicContact NZ-OE2 2.78Å; K175-E423 PolarHBondContact NZ-OE2 2.99Å
176	A	96.8	Very high	97	Very high	8 Å²	8	41.1 Å²	41.1	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-43.8	177.2	0	0	0	0	0	112.5	A172 I173 N179 G180 C181 L254 I301	A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 2.66Å; I173-A176 PolarHBondContact O-N 3.45Å; A176-N179 CarbonylContact O-C 3.48Å; A176-N179 PolarHBondContact O-N 3.26Å; A176-G180 PolarHBondContact O-N 3.41Å; A176-C181 WeakPolarHBondContact O-CB 3.16Å; A176-C181 PolarHBondContact O-N 2.68Å; A176-C181 VanDerWaalsContact O-N 3.14Å; A176-L254 HydrophobicContact CB-CD1 4.42Å; A176-L254 HydrophobicContact CB-CD2 3.85Å; A176-I301 HydrophobicContact CB-CD1 4.01Å
177	V	97.4	Very high	97.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-39.6	178.9	173.2	0	0	0	0	112.3	I173 Q174 K175 N179 G180 C181 K182 I184 A201 A203	I173-V177 HydrophobicContact CG2-CG2 4.42Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 3.49Å; Q174-V177 PolarHBondContact O-N 3.29Å; K175-V177 PolarHBondContact O-N 3.09Å; V177-N179 VanDerWaalsContact C-N 3.29Å; V177-G180 PolarHBondContact O-N 2.84Å; V177-C181 WeakPolarHBondContact CA-O 3.42Å; V177-K182 PolarHBondContact O-NZ 3.17Å; V177-I184 HydrophobicContact CG2-CD1 4.33Å; V177-A201 HydrophobicContact CB-CB 4.08Å; V177-A201 HydrophobicContact CG1-CB 4.18Å; V177-A201 WeakPolarHBondContact CG1-O 3.39Å; V177-A201 HydrophobicContact CG2-CB 4.21Å; V177-A203 HydrophobicContact CG2-CB 4.44Å
178	Q	95.3	Very high	97.1	Very high	125 Å²	125	36.9 Å²	36.9	58%	0.584	20%	0.196	S	C	*	.	H	α-helix	trans	-65	-35.3	173.7	-72.7	172.8	-3.1	0	0	111.7	Q174 K175 G180	Q174-Q178 WeakPolarHBondContact O-CB 3.09Å; Q174-Q178 VanDerWaalsContact O-CG 3.24Å; Q174-Q178 WeakPolarHBondContact O-CG 3.38Å; Q174-Q178 PolarHBondContact O-N 3.41Å; K175-Q178 PolarHBondContact O-N 2.94Å; Q178-G180 PolarHBondContact O-N 3.3Å
179	N	93.3	Very high	97.2	Very high	95 Å²	95	33.5 Å²	33.5	51%	0.508	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	15.8	176.6	-70	-22.5	0	0	0	114.3	K175 A176 V177	K175-N179 VanDerWaalsContact O-CB 3.27Å; K175-N179 WeakPolarHBondContact O-CB 3.43Å; K175-N179 PolarHBondContact O-N 2.87Å; K175-N179 PolarHBondContact O-ND2 2.65Å; A176-N179 CarbonylContact O-C 3.48Å; A176-N179 PolarHBondContact O-N 3.26Å; V177-N179 VanDerWaalsContact C-N 3.29Å
180	G	92.3	Very high	97.1	Very high	45 Å²	45	33.8 Å²	33.8	46%	0.464	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	-2.4	167.2	0	0	0	0	0	116.1	A176 V177 Q178 K182	A176-G180 PolarHBondContact O-N 3.41Å; V177-G180 PolarHBondContact O-N 2.84Å; Q178-G180 PolarHBondContact O-N 3.3Å; G180-K182 PolarHBondContact O-N 3.12Å
181	C	94.8	Very high	97.1	Very high	2 Å²	2	32 Å²	32	1%	0.014	18%	0.177	C	C	.	.			trans	-68.9	117.2	170.5	-65.1	0	0	0	0	109.7	A176 V177 S253 L254	A176-C181 WeakPolarHBondContact O-CB 3.16Å; A176-C181 PolarHBondContact O-N 2.68Å; A176-C181 VanDerWaalsContact O-N 3.14Å; V177-C181 WeakPolarHBondContact CA-O 3.42Å; C181-S253 WeakPolarHBondContact CA-OG 3.46Å; C181-L254 HydrophobicContact CB-CB 3.91Å; C181-L254 HydrophobicContact CB-CD2 4.39Å
182	K	94.8	Very high	97.1	Very high	99 Å²	99	28 Å²	28	43%	0.43	16%	0.159	S	C	.	.			trans	-114.4	-27.5	-174.9	-62	-52.8	178.9	-162.9	0	114.3	V177 G180 I184 A204 E205 S253	V177-K182 PolarHBondContact O-NZ 3.17Å; G180-K182 PolarHBondContact O-N 3.12Å; K182-I184 VanDerWaalsContact C-CD1 3.48Å; K182-A204 HydrophobicContact CB-CB 4.19Å; K182-A204 WeakPolarHBondContact O-CB 3.46Å; K182-A204 PolarHBondContact O-N 2.85Å; K182-E205 PolarHBondContact O-N 3.18Å; K182-E205 VanDerWaalsContact O-N 3.14Å; K182-S253 PolarHBondContact N-OG 2.93Å
183	T	97.8	Very high	97.1	Very high	30 Å²	30	28.5 Å²	28.5	18%	0.184	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.4	176.3	53.3	0	0	0	0	108.7	E205 V252 S253 L254	T183-E205 WeakPolarHBondContact CA-O 3.29Å; T183-E205 HydrophobicContact CG2-CB 4.15Å; T183-E205 HydrophobicContact CG2-CG 4.36Å; T183-V252 WeakPolarHBondContact OG1-CA 3.28Å; T183-S253 PolarHBondContact N-OG 2.71Å; T183-S253 VanDerWaalsContact N-OG 3.08Å; T183-S253 PolarHBondContact O-N 3.5Å; T183-S253 PolarHBondContact O-OG 3.34Å; T183-S253 PolarHBondContact OG1-N 3.32Å; T183-S253 PolarHBondContact OG1-OG 2.84Å; T183-L254 PolarHBondContact O-N 2.98Å; T183-L254 VanDerWaalsContact O-N 3.11Å
184	I	98.6	Very high	97.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	-170.7	-64.3	63.3	0	0	0	109	V177 K182 A198 A203 E205 Y207 L254 V256	V177-I184 HydrophobicContact CG2-CD1 4.33Å; K182-I184 VanDerWaalsContact C-CD1 3.48Å; I184-A198 HydrophobicContact CB-CB 4.35Å; I184-A198 HydrophobicContact CG1-CB 4.12Å; I184-A198 HydrophobicContact CG2-CB 4.05Å; I184-A203 HydrophobicContact CD1-CB 3.39Å; I184-A203 HydrophobicContact CG1-CB 4.18Å; I184-E205 PolarHBondContact N-O 3.25Å; I184-Y207 PolarHBondContact O-N 2.85Å; I184-L254 CarbonylContact C-O 3.53Å; I184-L254 VanDerWaalsContact CA-O 3.32Å; I184-L254 WeakPolarHBondContact CA-O 3.49Å; I184-L254 HydrophobicContact CG1-CB 4.18Å; I184-L254 HydrophobicContact CG1-CD2 4.04Å; I184-V256 HydrophobicContact CG2-CG2 4.22Å
185	L	98.8	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.7	164.9	176.9	62.3	0	0	0	109.7	I187 Y207 M242 V252 L254 V255 V256 L280	L185-I187 HydrophobicContact CD2-CD1 4.21Å; L185-I187 HydrophobicContact CD2-CG1 3.99Å; L185-I187 HydrophobicContact CG-CG1 3.94Å; L185-Y207 CarbonylContact C-O 3.55Å; L185-Y207 WeakPolarHBondContact CA-O 3.44Å; L185-M242 HydrophobicContact CD1-CE 3.84Å; L185-M242 HydrophobicContact CD1-SD 4.26Å; L185-M242 HydrophobicContact CD2-CE 4.35Å; L185-V252 HydrophobicContact CB-CB 4.39Å; L185-V252 HydrophobicContact CB-CG1 4.1Å; L185-V252 HydrophobicContact CB-CG2 3.74Å; L185-L254 PolarHBondContact N-O 3.1Å; L185-V255 HydrophobicContact CB-CG2 4.15Å; L185-V255 HydrophobicContact CD2-CG2 4.32Å; L185-V255 CarbonylContact O-C 3.6Å; L185-V255 VanDerWaalsContact O-CA 3.31Å; L185-V255 WeakPolarHBondContact O-CA 3.32Å; L185-V256 PolarHBondContact O-N 3.23Å; L185-L280 HydrophobicContact CD2-CB 4.24Å; L185-L280 HydrophobicContact CD2-CD1 3.68Å
186	D	98.8	Very high	97.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.4	173	-173.5	16.2	0	0	0	109.6	T189 G195 Y207 A208 C209 V256	D186-T189 WeakPolarHBondContact OD2-CB 3.35Å; D186-T189 PolarHBondContact OD2-OG1 3.26Å; D186-G195 PolarHBondContact OD2-N 3.26Å; D186-Y207 PolarHBondContact N-O 3.08Å; D186-A208 HydrophobicContact CB-CB 4.12Å; D186-A208 CarbonylContact O-C 3.5Å; D186-A208 VanDerWaalsContact O-CA 3.28Å; D186-A208 WeakPolarHBondContact O-CA 3.34Å; D186-C209 PolarHBondContact O-N 3.34Å; D186-V256 WeakPolarHBondContact CA-O 3.39Å
187	I	98.7	Very high	97.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.5	-178.2	-62	178.1	0	0	0	109.1	L185 V255 V256 T257 T259 A276	L185-I187 HydrophobicContact CD2-CD1 4.21Å; L185-I187 HydrophobicContact CD2-CG1 3.99Å; L185-I187 HydrophobicContact CG-CG1 3.94Å; I187-V255 HydrophobicContact CD1-CG1 3.67Å; I187-V255 HydrophobicContact CG1-CG1 4.17Å; I187-V256 PolarHBondContact N-O 3.4Å; I187-T257 PolarHBondContact O-OG1 3.12Å; I187-T259 HydrophobicContact CG2-CG2 4.39Å; I187-A276 HydrophobicContact CD1-CB 4.23Å
188	G	97.4	Very high	97.2	Very high	29 Å²	29	22.6 Å²	22.6	30%	0.299	13%	0.134	S	C	.	.	S	Bend	trans	70.4	53	-174.7	0	0	0	0	0	110.4	G190 C209	G188-G190 PolarHBondContact O-N 3Å; G188-G190 VanDerWaalsContact O-N 3.13Å; G188-C209 WeakPolarHBondContact CA-O 3.33Å; G188-C209 PolarHBondContact N-O 3.46Å
189	T	97.9	Very high	97.4	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.043	12%	0.117	C	C	.	.			trans	-64.8	-20.7	-167.7	-158.8	0	0	0	0	113.4	D186 T191 G192 A208 C209 E210 A219 I234	D186-T189 WeakPolarHBondContact OD2-CB 3.35Å; D186-T189 PolarHBondContact OD2-OG1 3.26Å; T189-T191 PolarHBondContact O-N 3.08Å; T189-G192 PolarHBondContact O-N 3.44Å; T189-G192 WeakPolarHBondContact OG1-CA 3.16Å; T189-A208 HydrophobicContact CG2-CB 4.07Å; T189-C209 PolarHBondContact N-O 3.5Å; T189-C209 VanDerWaalsContact N-O 3.09Å; T189-E210 HydrophobicContact CG2-CB 4.04Å; T189-A219 HydrophobicContact CG2-CB 4.24Å; T189-I234 HydrophobicContact CG2-CG2 4.26Å
190	G	97.3	Very high	97.6	Very high	7 Å²	7	20.8 Å²	20.8	7%	0.072	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-107.4	-177.6	0	0	0	0	0	111	G188 E210 A219	G188-G190 PolarHBondContact O-N 3Å; G188-G190 VanDerWaalsContact O-N 3.13Å; G190-E210 WeakPolarHBondContact CA-OE2 3.18Å; G190-E210 PolarHBondContact N-OE2 3.18Å; G190-A219 WeakPolarHBondContact O-CB 3.37Å
191	T	97.6	Very high	97.9	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.7	178.2	62.4	0	0	0	0	114.7	L160 T189 M215 L218 V222 I719 I723	L160-T191 HydrophobicContact CD1-CG2 3.79Å; L160-T191 HydrophobicContact CD2-CG2 4.37Å; T189-T191 PolarHBondContact O-N 3.08Å; T191-M215 HydrophobicContact CG2-CE 3.99Å; T191-L218 HydrophobicContact CG2-CD2 3.69Å; T191-V222 WeakPolarHBondContact O-CG1 3.35Å; T191-I719 HydrophobicContact CG2-CG2 3.9Å; T191-I723 HydrophobicContact CG2-CD1 4Å
192	G	98	Very high	98	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.021	13%	0.131	C	C	.	.	S	Bend	trans	87.1	5.2	-174.6	0	0	0	0	0	114.9	T189 L194 G195 M196	T189-G192 PolarHBondContact O-N 3.44Å; T189-G192 WeakPolarHBondContact OG1-CA 3.16Å; G192-L194 VanDerWaalsContact C-N 3.34Å; G192-L194 PolarHBondContact O-N 3.03Å; G192-G195 PolarHBondContact O-N 3.33Å; G192-M196 WeakPolarHBondContact O-CB 3.36Å; G192-M196 WeakPolarHBondContact O-CG 3.3Å; G192-M196 PolarHBondContact O-N 3.29Å
193	I	98.6	Very high	98.1	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-39	-173	-169.8	172.4	0	0	0	113.4	L160 C197 F717 I719	L160-I193 HydrophobicContact CD2-CD1 4.12Å; I193-C197 PolarHBondContact O-N 3.34Å; I193-C197 PolarHBondContact O-SG 2.9Å; I193-F717 HydrophobicContact CG1-CD2 4.08Å; I193-F717 HydrophobicContact CG1-CE2 4.47Å; I193-I719 HydrophobicContact CB-CD1 3.91Å; I193-I719 HydrophobicContact CD1-CD1 3.97Å; I193-I719 HydrophobicContact CG1-CD1 4.01Å
194	L	98.5	Very high	98.1	Very high	9 Å²	9	19.1 Å²	19.1	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-74.5	-44.1	-179.6	-56.4	-174.2	0	0	0	111.3	Y169 I173 G192 M196 C197 A198 V256 E258	Y169-L194 HydrophobicContact CD1-CD1 4.05Å; Y169-L194 HydrophobicContact CD1-CD2 3.92Å; Y169-L194 HydrophobicContact CE1-CD1 4.06Å; Y169-L194 HydrophobicContact CG-CD2 3.91Å; I173-L194 HydrophobicContact CD1-CB 4.17Å; I173-L194 HydrophobicContact CD1-CD2 4.22Å; G192-L194 VanDerWaalsContact C-N 3.34Å; G192-L194 PolarHBondContact O-N 3.03Å; L194-M196 VanDerWaalsContact C-N 3.33Å; L194-M196 PolarHBondContact O-N 3Å; L194-C197 WeakPolarHBondContact O-CB 3.12Å; L194-C197 PolarHBondContact O-N 3.32Å; L194-C197 VanDerWaalsContact O-N 3.14Å; L194-A198 PolarHBondContact O-N 3.36Å; L194-V256 HydrophobicContact CB-CG1 4.31Å; L194-V256 HydrophobicContact CD1-CG1 3.84Å; L194-E258 HydrophobicContact CD1-CB 4.21Å
195	G	98.1	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-42.6	169.5	0	0	0	0	0	113.5	D186 G192 A198 K199	D186-G195 PolarHBondContact OD2-N 3.26Å; G192-G195 PolarHBondContact O-N 3.33Å; G195-A198 WeakPolarHBondContact O-CB 3.49Å; G195-A198 PolarHBondContact O-N 2.93Å; G195-K199 PolarHBondContact O-N 2.87Å
196	M	98.7	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-37.9	174.7	-72.3	-168.7	-68.9	0	0	112.4	G192 L194 K199 K200 V222 V223 N226 M228 I232 F717 I719	G192-M196 WeakPolarHBondContact O-CB 3.36Å; G192-M196 WeakPolarHBondContact O-CG 3.3Å; G192-M196 PolarHBondContact O-N 3.29Å; L194-M196 VanDerWaalsContact C-N 3.33Å; L194-M196 PolarHBondContact O-N 3Å; M196-K199 PolarHBondContact O-N 2.91Å; M196-K200 VanDerWaalsContact O-CB 3.28Å; M196-K200 WeakPolarHBondContact O-CB 3.48Å; M196-K200 PolarHBondContact O-N 3.32Å; M196-V222 HydrophobicContact CE-CG1 3.61Å; M196-V222 HydrophobicContact SD-CG1 4.29Å; M196-V223 HydrophobicContact CG-CG2 4.02Å; M196-V223 HydrophobicContact SD-CG2 4.26Å; M196-N226 HydrophobicContact SD-CB 3.75Å; M196-M228 HydrophobicContact CB-SD 3.96Å; M196-M228 HydrophobicContact CG-SD 3.79Å; M196-M228 HydrophobicContact SD-SD 4.47Å; M196-I232 HydrophobicContact CB-CD1 4.5Å; M196-I232 HydrophobicContact CG-CD1 3.9Å; M196-F717 HydrophobicContact CB-CD1 4.21Å; M196-F717 HydrophobicContact CB-CE1 3.73Å; M196-F717 HydrophobicContact CB-CE2 4.09Å; M196-F717 HydrophobicContact CB-CZ 3.66Å; M196-F717 HydrophobicContact CE-CB 3.95Å; M196-F717 HydrophobicContact CE-CD1 4.15Å; M196-F717 HydrophobicContact CE-CD2 4.28Å; M196-F717 HydrophobicContact CE-CG 3.89Å; M196-F717 HydrophobicContact SD-CD1 3.89Å; M196-F717 HydrophobicContact SD-CE1 4.28Å; M196-F717 HydrophobicContact SD-CG 4.26Å; M196-I719 HydrophobicContact CE-CD1 4.05Å; M196-I719 HydrophobicContact CE-CG1 4.28Å
197	C	98.5	Very high	98	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-47.4	170.9	-75.2	0	0	0	0	111.4	I173 I193 L194 K199 K200 A201 L715	I173-C197 HydrophobicContact CD1-CB 4.14Å; I193-C197 PolarHBondContact O-N 3.34Å; I193-C197 PolarHBondContact O-SG 2.9Å; L194-C197 WeakPolarHBondContact O-CB 3.12Å; L194-C197 PolarHBondContact O-N 3.32Å; L194-C197 VanDerWaalsContact O-N 3.14Å; C197-K199 PolarHBondContact O-N 2.91Å; C197-K200 PolarHBondContact O-N 3.49Å; C197-A201 WeakPolarHBondContact O-CB 3.48Å; C197-A201 PolarHBondContact O-N 2.77Å; C197-L715 VanDerWaalsContact SG-CD1 3.57Å
198	A	98.4	Very high	98	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-45.7	177.5	0	0	0	0	0	111.8	I173 I184 L194 G195 A201 G202 A203 V206	I173-A198 HydrophobicContact CG2-CB 3.79Å; I184-A198 HydrophobicContact CB-CB 4.35Å; I184-A198 HydrophobicContact CG1-CB 4.12Å; I184-A198 HydrophobicContact CG2-CB 4.05Å; L194-A198 PolarHBondContact O-N 3.36Å; G195-A198 WeakPolarHBondContact O-CB 3.49Å; G195-A198 PolarHBondContact O-N 2.93Å; A198-A201 PolarHBondContact O-N 2.87Å; A198-G202 PolarHBondContact O-N 2.82Å; A198-A203 HydrophobicContact CB-CB 4.33Å; A198-A203 WeakPolarHBondContact O-CB 3.44Å; A198-A203 PolarHBondContact O-N 3.03Å; A198-A203 VanDerWaalsContact O-N 3.13Å; A198-V206 HydrophobicContact CB-CG2 4.22Å
199	K	98.2	Very high	98	Very high	54 Å²	54	22.1 Å²	22.1	24%	0.235	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-45.5	178	-167.9	71.6	-165.8	-171.6	0	111.9	G195 M196 C197 A201 G202 A204 V206 M228 S231 I232	G195-K199 PolarHBondContact O-N 2.87Å; M196-K199 PolarHBondContact O-N 2.91Å; C197-K199 PolarHBondContact O-N 2.91Å; K199-A201 VanDerWaalsContact C-N 3.26Å; K199-A201 PolarHBondContact O-N 2.84Å; K199-G202 PolarHBondContact O-N 2.63Å; K199-A204 PolarHBondContact NZ-O 2.9Å; K199-A204 VanDerWaalsContact NZ-O 3.13Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.02Å; K199-M228 HydrophobicContact CB-SD 4Å; K199-M228 HydrophobicContact CG-SD 4.16Å; K199-S231 PolarHBondContact NZ-O 3.18Å; K199-I232 HydrophobicContact CB-CD1 4.15Å; K199-I232 HydrophobicContact CB-CG1 4.23Å; K199-I232 HydrophobicContact CG-CG1 4.44Å
200	K	97.6	Very high	98	Very high	127 Å²	127	22.8 Å²	22.8	55%	0.552	14%	0.136	S	C	*	.	H	α-helix	trans	-63	-31.8	177.2	-169.6	175.4	-179.3	179.2	0	112.5	M196 C197 G202 M228 F717	M196-K200 VanDerWaalsContact O-CB 3.28Å; M196-K200 WeakPolarHBondContact O-CB 3.48Å; M196-K200 PolarHBondContact O-N 3.32Å; C197-K200 PolarHBondContact O-N 3.49Å; K200-G202 PolarHBondContact O-N 2.94Å; K200-M228 HydrophobicContact CB-CE 4.32Å; K200-F717 HydrophobicContact CB-CZ 4.49Å; K200-F717 HydrophobicContact CD-CE1 4.17Å; K200-F717 HydrophobicContact CD-CZ 3.91Å
201	A	97.9	Very high	97.9	Very high	27 Å²	27	28 Å²	28	22%	0.223	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.8	174.9	0	0	0	0	0	114.1	Q174 V177 C197 A198 K199	Q174-A201 HydrophobicContact CB-CB 4.19Å; Q174-A201 HydrophobicContact CG-CB 4.28Å; V177-A201 HydrophobicContact CB-CB 4.08Å; V177-A201 HydrophobicContact CG1-CB 4.18Å; V177-A201 WeakPolarHBondContact CG1-O 3.39Å; V177-A201 HydrophobicContact CG2-CB 4.21Å; C197-A201 WeakPolarHBondContact O-CB 3.48Å; C197-A201 PolarHBondContact O-N 2.77Å; A198-A201 PolarHBondContact O-N 2.87Å; K199-A201 VanDerWaalsContact C-N 3.26Å; K199-A201 PolarHBondContact O-N 2.84Å
202	G	97.6	Very high	97.7	Very high	48 Å²	48	29.5 Å²	29.5	50%	0.495	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	23	178.2	0	0	0	0	0	114.6	A198 K199 K200	A198-G202 PolarHBondContact O-N 2.82Å; K199-G202 PolarHBondContact O-N 2.63Å; K200-G202 PolarHBondContact O-N 2.94Å
203	A	97.8	Very high	97.5	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	19%	0.189	C	C	.	.			trans	-57.4	135.3	168	0	0	0	0	0	111.1	V177 I184 A198 V206	V177-A203 HydrophobicContact CG2-CB 4.44Å; I184-A203 HydrophobicContact CD1-CB 3.39Å; I184-A203 HydrophobicContact CG1-CB 4.18Å; A198-A203 HydrophobicContact CB-CB 4.33Å; A198-A203 WeakPolarHBondContact O-CB 3.44Å; A198-A203 PolarHBondContact O-N 3.03Å; A198-A203 VanDerWaalsContact O-N 3.13Å; A203-V206 HydrophobicContact CB-CG2 3.59Å
204	A	96.6	Very high	97.2	Very high	63 Å²	63	33.5 Å²	33.5	52%	0.521	19%	0.19	S	C	.	.	S	Bend	trans	-71.1	-52.4	179	0	0	0	0	0	110.2	K182 K199	K182-A204 HydrophobicContact CB-CB 4.19Å; K182-A204 WeakPolarHBondContact O-CB 3.46Å; K182-A204 PolarHBondContact O-N 2.85Å; K199-A204 PolarHBondContact NZ-O 2.9Å; K199-A204 VanDerWaalsContact NZ-O 3.13Å
205	E	96.9	Very high	97.1	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.5	178.3	-55.1	-176.1	162.7	0	0	110	K182 T183 I184 Y207	K182-E205 PolarHBondContact O-N 3.18Å; K182-E205 VanDerWaalsContact O-N 3.14Å; T183-E205 WeakPolarHBondContact CA-O 3.29Å; T183-E205 HydrophobicContact CG2-CB 4.15Å; T183-E205 HydrophobicContact CG2-CG 4.36Å; I184-E205 PolarHBondContact N-O 3.25Å; E205-Y207 HydrophobicContact CB-CE2 3.81Å; E205-Y207 PolarHBondContact OE2-OH 3.47Å
206	V	98.7	Very high	97	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.7	176.1	-173.8	0	0	0	0	108	A198 K199 A203 I232 K233	A198-V206 HydrophobicContact CB-CG2 4.22Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.02Å; A203-V206 HydrophobicContact CB-CG2 3.59Å; V206-I232 HydrophobicContact CB-CB 4.49Å; V206-I232 HydrophobicContact CB-CG1 4.13Å; V206-I232 HydrophobicContact CB-CG2 4.24Å; V206-I232 HydrophobicContact CG1-CG1 4.3Å; V206-I232 HydrophobicContact CG1-CG2 3.91Å; V206-I232 WeakPolarHBondContact O-CA 3.33Å; V206-K233 PolarHBondContact O-N 3.06Å
207	Y	98.6	Very high	96.9	Very high	18 Å²	18	41.1 Å²	41.1	7%	0.071	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.7	171.8	-55.2	-81.9	0	0	0	108.2	I184 L185 D186 E205 K233 I248 P249 V252	I184-Y207 PolarHBondContact O-N 2.85Å; L185-Y207 CarbonylContact C-O 3.55Å; L185-Y207 WeakPolarHBondContact CA-O 3.44Å; D186-Y207 PolarHBondContact N-O 3.08Å; E205-Y207 HydrophobicContact CB-CE2 3.81Å; E205-Y207 PolarHBondContact OE2-OH 3.47Å; Y207-K233 CarbonylContact C-O 3.59Å; Y207-K233 WeakPolarHBondContact CA-O 3.03Å; Y207-K233 HydrophobicContact CD1-CB 3.87Å; Y207-K233 HydrophobicContact CD1-CD 3.99Å; Y207-K233 HydrophobicContact CD1-CG 4.39Å; Y207-K233 HydrophobicContact CE1-CB 4.26Å; Y207-K233 HydrophobicContact CE1-CD 4.05Å; Y207-I248 HydrophobicContact CD1-CB 4.21Å; Y207-I248 HydrophobicContact CD1-CG2 3.49Å; Y207-I248 VanDerWaalsContact CD1-CG2 3.49Å; Y207-I248 HydrophobicContact CD2-CG2 4.24Å; Y207-I248 HydrophobicContact CE1-CB 4.29Å; Y207-I248 HydrophobicContact CE1-CG2 4.04Å; Y207-I248 HydrophobicContact CG-CB 4.37Å; Y207-I248 HydrophobicContact CG-CG2 3.62Å; Y207-P249 WeakPolarHBondContact OH-CD 3.45Å; Y207-P249 WeakPolarHBondContact OH-CG 3.31Å; Y207-V252 HydrophobicContact CD2-CG1 4.04Å; Y207-V252 HydrophobicContact CE2-CG1 4.5Å
208	A	98.6	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.1	177.2	0	0	0	0	0	109.4	D186 T189 I232 K233 I234 L235	D186-A208 HydrophobicContact CB-CB 4.12Å; D186-A208 CarbonylContact O-C 3.5Å; D186-A208 VanDerWaalsContact O-CA 3.28Å; D186-A208 WeakPolarHBondContact O-CA 3.34Å; T189-A208 HydrophobicContact CG2-CB 4.07Å; A208-I232 HydrophobicContact CB-CG2 4.38Å; A208-K233 PolarHBondContact N-O 3.41Å; A208-I234 HydrophobicContact CB-CB 4.5Å; A208-I234 HydrophobicContact CB-CG1 4.31Å; A208-I234 HydrophobicContact CB-CG2 4.22Å; A208-I234 CarbonylContact O-C 3.55Å; A208-I234 WeakPolarHBondContact O-CA 3.47Å; A208-L235 PolarHBondContact O-N 3.22Å
209	C	98.4	Very high	96.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	171.6	68.1	0	0	0	0	111.9	D186 G188 T189 L235 K237 M242	D186-C209 PolarHBondContact O-N 3.34Å; G188-C209 WeakPolarHBondContact CA-O 3.33Å; G188-C209 PolarHBondContact N-O 3.46Å; T189-C209 PolarHBondContact N-O 3.5Å; T189-C209 VanDerWaalsContact N-O 3.09Å; C209-L235 VanDerWaalsContact CA-O 3.32Å; C209-L235 WeakPolarHBondContact CA-O 3.43Å; C209-L235 HydrophobicContact CB-CB 4.44Å; C209-K237 WeakPolarHBondContact CB-O 3.1Å; C209-M242 HydrophobicContact CB-SD 3.57Å; C209-M242 VanDerWaalsContact CB-SD 3.57Å
210	E	98	Very high	96.7	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.103	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135	178.8	-178.4	45.6	-111.6	0	0	109.4	T189 G190 S212 M215 L235 H236 K237	T189-E210 HydrophobicContact CG2-CB 4.04Å; G190-E210 WeakPolarHBondContact CA-OE2 3.18Å; G190-E210 PolarHBondContact N-OE2 3.18Å; E210-S212 WeakPolarHBondContact CG-O 3.42Å; E210-S212 PolarHBondContact OE1-N 3.42Å; E210-M215 HydrophobicContact CG-CB 3.69Å; E210-L235 PolarHBondContact N-O 3.27Å; E210-H236 CarbonylContact O-C 3.47Å; E210-H236 WeakPolarHBondContact O-CA 3.47Å; E210-K237 PolarHBondContact O-N 3.17Å
211	L	95.3	Very high	96.7	Very high	115 Å²	115	39.5 Å²	39.5	60%	0.602	22%	0.222	S	C	*	.	S	Bend	trans	-83.2	-42	179.4	175.9	63.5	0	0	0	111.2	K213 H236 K238	L211-K213 PolarHBondContact O-N 3.1Å; L211-H236 PolarHBondContact O-CD2 3.47Å; L211-H236 PolarHBondContact O-NE2 2.96Å; L211-H236 VanDerWaalsContact O-NE2 3.11Å; L211-K238 HydrophobicContact CD1-CB 4.29Å
212	S	93.7	Very high	96.8	Very high	38 Å²	38	38.2 Å²	38.2	27%	0.266	21%	0.212	S	C	.	.			trans	-73	122.6	-179.3	166.5	0	0	0	0	110.2	E210 T214 M215 Y216	E210-S212 WeakPolarHBondContact CG-O 3.42Å; E210-S212 PolarHBondContact OE1-N 3.42Å; S212-T214 VanDerWaalsContact C-N 3.3Å; S212-T214 PolarHBondContact O-N 3.03Å; S212-T214 PolarHBondContact OG-N 3.32Å; S212-M215 PolarHBondContact O-N 3.33Å; S212-M215 PolarHBondContact OG-N 2.94Å; S212-Y216 WeakPolarHBondContact O-CB 3.42Å; S212-Y216 PolarHBondContact O-N 3.25Å
213	K	92.6	Very high	96.8	Very high	82 Å²	82	36.1 Å²	36.1	36%	0.357	19%	0.189	S	C	.	.	H	α-helix	trans	-57.5	-44.9	176.2	-175.1	-177.9	171.9	-169.9	0	111.7	L211 Y216 E217 H236	L211-K213 PolarHBondContact O-N 3.1Å; K213-Y216 WeakPolarHBondContact O-CB 3.31Å; K213-Y216 PolarHBondContact O-N 3.07Å; K213-E217 WeakPolarHBondContact CE-OE1 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.14Å; K213-E217 PolarHBondContact O-N 3.42Å; K213-H236 WeakPolarHBondContact CA-NE2 3.37Å; K213-H236 PolarHBondContact N-NE2 3.4Å
214	T	92.4	Very high	96.8	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-46.1	178.3	-71.6	0	0	0	0	111.1	D121 L151 V152 S212 E217 L218 F726	D121-T214 PolarHBondContact OD1-OG1 3Å; L151-T214 HydrophobicContact CB-CG2 4.06Å; V152-T214 HydrophobicContact CG2-CG2 4.04Å; S212-T214 VanDerWaalsContact C-N 3.3Å; S212-T214 PolarHBondContact O-N 3.03Å; S212-T214 PolarHBondContact OG-N 3.32Å; T214-E217 PolarHBondContact O-N 2.84Å; T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 PolarHBondContact O-N 2.82Å; T214-F726 HydrophobicContact CG2-CE1 3.89Å; T214-F726 HydrophobicContact CG2-CZ 3.79Å
215	M	95.7	Very high	96.9	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.02	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-35.6	178.4	-67.6	-57.8	-64.9	0	0	112.3	V152 T191 E210 S212 L218 A219	V152-M215 HydrophobicContact CB-SD 4.49Å; V152-M215 HydrophobicContact CG1-SD 4.11Å; V152-M215 HydrophobicContact CG2-SD 3.94Å; T191-M215 HydrophobicContact CG2-CE 3.99Å; E210-M215 HydrophobicContact CG-CB 3.69Å; S212-M215 PolarHBondContact O-N 3.33Å; S212-M215 PolarHBondContact OG-N 2.94Å; M215-L218 PolarHBondContact O-N 2.95Å; M215-L218 HydrophobicContact SD-CD1 4.49Å; M215-A219 WeakPolarHBondContact O-CB 3.21Å; M215-A219 PolarHBondContact O-N 3.43Å
216	Y	97.2	Very high	96.9	Very high	67 Å²	67	35.1 Å²	35.1	26%	0.263	19%	0.189	S	C	.	.	H	α-helix	trans	-60.2	-49	173.9	163.8	-99	0	0	0	112	S212 K213 L218 A219 C220 I234 H236	S212-Y216 WeakPolarHBondContact O-CB 3.42Å; S212-Y216 PolarHBondContact O-N 3.25Å; K213-Y216 WeakPolarHBondContact O-CB 3.31Å; K213-Y216 PolarHBondContact O-N 3.07Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-A219 PolarHBondContact O-N 2.98Å; Y216-C220 PolarHBondContact O-N 3.27Å; Y216-C220 PolarHBondContact O-SG 3.14Å; Y216-I234 HydrophobicContact CD2-CB 4.4Å; Y216-I234 HydrophobicContact CD2-CG2 3.68Å; Y216-I234 HydrophobicContact CE2-CB 4.1Å; Y216-I234 HydrophobicContact CE2-CG2 3.88Å; Y216-H236 HydrophobicContact CD1-CB 3.76Å; Y216-H236 HydrophobicContact CD2-CB 3.72Å; Y216-H236 HydrophobicContact CE1-CB 4.02Å; Y216-H236 HydrophobicContact CE2-CB 3.97Å; Y216-H236 HydrophobicContact CG-CB 3.61Å
217	E	95.6	Very high	96.9	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-44.5	178.1	-71.4	177.5	-174.3	0	0	110.4	K213 T214 A219 C220 E221	K213-E217 WeakPolarHBondContact CE-OE1 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.14Å; K213-E217 PolarHBondContact O-N 3.42Å; T214-E217 PolarHBondContact O-N 2.84Å; E217-A219 PolarHBondContact O-N 2.89Å; E217-C220 WeakPolarHBondContact O-CB 3.46Å; E217-C220 PolarHBondContact O-N 3.37Å; E217-E221 PolarHBondContact O-N 3.4Å
218	L	96.1	Very high	96.8	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-45.3	174.9	-176.3	156	0	0	0	112	T191 T214 M215 Y216 C220 E221 V222 F722 I723 F726	T191-L218 HydrophobicContact CG2-CD2 3.69Å; T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 PolarHBondContact O-N 2.82Å; M215-L218 PolarHBondContact O-N 2.95Å; M215-L218 HydrophobicContact SD-CD1 4.49Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 3.44Å; L218-E221 PolarHBondContact O-N 3.44Å; L218-V222 HydrophobicContact CD2-CG2 3.77Å; L218-V222 HydrophobicContact CG-CG2 4.44Å; L218-V222 WeakPolarHBondContact O-CB 3.43Å; L218-V222 VanDerWaalsContact O-CG2 3.29Å; L218-V222 WeakPolarHBondContact O-CG2 3.2Å; L218-V222 PolarHBondContact O-N 3.42Å; L218-F722 HydrophobicContact CG-CB 4.37Å; L218-I723 HydrophobicContact CD1-CB 4.01Å; L218-I723 HydrophobicContact CD1-CG1 4.05Å; L218-F726 HydrophobicContact CD1-CD2 4.23Å; L218-F726 HydrophobicContact CD1-CE2 3.99Å
219	A	98.3	Very high	96.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-41.1	177.9	0	0	0	0	0	111.6	T189 G190 M215 Y216 E217 V222 V223 I234	T189-A219 HydrophobicContact CG2-CB 4.24Å; G190-A219 WeakPolarHBondContact O-CB 3.37Å; M215-A219 WeakPolarHBondContact O-CB 3.21Å; M215-A219 PolarHBondContact O-N 3.43Å; Y216-A219 PolarHBondContact O-N 2.98Å; E217-A219 PolarHBondContact O-N 2.89Å; A219-V222 PolarHBondContact O-N 3.09Å; A219-V223 VanDerWaalsContact O-CB 3.3Å; A219-V223 WeakPolarHBondContact O-CB 3.43Å; A219-V223 VanDerWaalsContact O-CG2 3.29Å; A219-V223 WeakPolarHBondContact O-CG2 3.18Å; A219-V223 PolarHBondContact O-N 3.5Å; A219-I234 HydrophobicContact CB-CD1 3.8Å
220	C	98.3	Very high	96.1	Very high	44 Å²	44	50 Å²	50	30%	0.297	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-47	175.8	-67.3	0	0	0	0	111.2	Y216 E217 L218 A224	Y216-C220 PolarHBondContact O-N 3.27Å; Y216-C220 PolarHBondContact O-SG 3.14Å; E217-C220 WeakPolarHBondContact O-CB 3.46Å; E217-C220 PolarHBondContact O-N 3.37Å; L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 3.44Å; C220-A224 WeakPolarHBondContact O-CB 3.36Å; C220-A224 PolarHBondContact O-N 3.26Å
221	E	97.5	Very high	95.9	Very high	101 Å²	101	51.3 Å²	51.3	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-44.9	177.4	-68.7	-174.2	176.1	0	0	112.1	E217 L218 A224 A225 F722	E217-E221 PolarHBondContact O-N 3.4Å; L218-E221 PolarHBondContact O-N 3.44Å; E221-A224 PolarHBondContact O-N 3.48Å; E221-A225 VanDerWaalsContact O-CB 3.26Å; E221-A225 WeakPolarHBondContact O-CB 3.33Å; E221-A225 PolarHBondContact O-N 3.01Å; E221-F722 HydrophobicContact CB-CD1 3.8Å; E221-F722 HydrophobicContact CB-CE1 3.96Å; E221-F722 WeakPolarHBondContact OE2-CD1 3.47Å
222	V	98.4	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-49	178.2	167.9	0	0	0	0	110.9	T191 M196 L218 A219 A224 A225 N226 I719 F722	T191-V222 WeakPolarHBondContact O-CG1 3.35Å; M196-V222 HydrophobicContact CE-CG1 3.61Å; M196-V222 HydrophobicContact SD-CG1 4.29Å; L218-V222 HydrophobicContact CD2-CG2 3.77Å; L218-V222 HydrophobicContact CG-CG2 4.44Å; L218-V222 WeakPolarHBondContact O-CB 3.43Å; L218-V222 VanDerWaalsContact O-CG2 3.29Å; L218-V222 WeakPolarHBondContact O-CG2 3.2Å; L218-V222 PolarHBondContact O-N 3.42Å; A219-V222 PolarHBondContact O-N 3.09Å; V222-A224 VanDerWaalsContact C-N 3.32Å; V222-A224 PolarHBondContact O-N 2.76Å; V222-A225 PolarHBondContact O-N 3.13Å; V222-N226 PolarHBondContact O-N 3.11Å; V222-N226 PolarHBondContact O-ND2 3.1Å; V222-I719 HydrophobicContact CG1-CB 4.45Å; V222-I719 HydrophobicContact CG1-CG1 3.83Å; V222-I719 HydrophobicContact CG2-CG2 4.32Å; V222-F722 HydrophobicContact CG2-CB 3.71Å; V222-F722 HydrophobicContact CG2-CD2 3.74Å; V222-F722 HydrophobicContact CG2-CG 3.78Å
223	V	98.4	Very high	96.2	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-41.6	179.3	164.6	0	0	0	0	111	M196 A219 N226 G227 M228 I232 I234	M196-V223 HydrophobicContact CG-CG2 4.02Å; M196-V223 HydrophobicContact SD-CG2 4.26Å; A219-V223 VanDerWaalsContact O-CB 3.3Å; A219-V223 WeakPolarHBondContact O-CB 3.43Å; A219-V223 VanDerWaalsContact O-CG2 3.29Å; A219-V223 WeakPolarHBondContact O-CG2 3.18Å; A219-V223 PolarHBondContact O-N 3.5Å; V223-N226 PolarHBondContact O-N 3.11Å; V223-G227 PolarHBondContact O-N 3.45Å; V223-M228 HydrophobicContact CG1-CB 3.88Å; V223-M228 WeakPolarHBondContact CG1-O 3.42Å; V223-M228 PolarHBondContact O-N 3.49Å; V223-I232 HydrophobicContact CG1-CB 4.22Å; V223-I232 HydrophobicContact CG1-CD1 4.2Å; V223-I232 HydrophobicContact CG1-CG1 4.49Å; V223-I232 HydrophobicContact CG2-CD1 4.21Å; V223-I234 HydrophobicContact CB-CD1 4.29Å; V223-I234 HydrophobicContact CG2-CD1 3.9Å
224	A	98.1	Very high	96.5	Very high	37 Å²	37	46.3 Å²	46.3	31%	0.306	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-45.3	175.6	0	0	0	0	0	112.1	C220 E221 V222 N226 G227 E229	C220-A224 WeakPolarHBondContact O-CB 3.36Å; C220-A224 PolarHBondContact O-N 3.26Å; E221-A224 PolarHBondContact O-N 3.48Å; V222-A224 VanDerWaalsContact C-N 3.32Å; V222-A224 PolarHBondContact O-N 2.76Å; A224-N226 PolarHBondContact O-N 3.49Å; A224-N226 VanDerWaalsContact O-N 3.17Å; A224-G227 PolarHBondContact O-N 3.31Å; A224-E229 HydrophobicContact CB-CB 4.12Å; A224-E229 HydrophobicContact CB-CG 4.26Å
225	A	97.6	Very high	96.8	Very high	46 Å²	46	46.8 Å²	46.8	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-19.9	178.6	0	0	0	0	0	114	E221 V222 F722	E221-A225 VanDerWaalsContact O-CB 3.26Å; E221-A225 WeakPolarHBondContact O-CB 3.33Å; E221-A225 PolarHBondContact O-N 3.01Å; V222-A225 PolarHBondContact O-N 3.13Å; A225-F722 HydrophobicContact CB-CE1 4.3Å; A225-F722 HydrophobicContact CB-CE2 3.47Å; A225-F722 VanDerWaalsContact CB-CE2 3.47Å; A225-F722 HydrophobicContact CB-CZ 3.25Å
226	N	98.2	Very high	96.9	Very high	38 Å²	38	51 Å²	51	20%	0.203	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.3	173.9	-74.4	-82	0	0	0	113.3	M196 V222 V223 A224 M228 F717 N718	M196-N226 HydrophobicContact SD-CB 3.75Å; V222-N226 PolarHBondContact O-N 3.11Å; V222-N226 PolarHBondContact O-ND2 3.1Å; V223-N226 PolarHBondContact O-N 3.11Å; A224-N226 PolarHBondContact O-N 3.49Å; A224-N226 VanDerWaalsContact O-N 3.17Å; N226-M228 VanDerWaalsContact C-N 3.29Å; N226-M228 PolarHBondContact O-N 3.28Å; N226-F717 WeakPolarHBondContact OD1-CA 3.26Å; N226-N718 PolarHBondContact ND2-N 2.89Å; N226-N718 PolarHBondContact ND2-O 3.36Å; N226-N718 PolarHBondContact OD1-N 2.84Å
227	G	97.3	Very high	96.9	Very high	70 Å²	70	50.8 Å²	50.8	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	22.9	177.2	0	0	0	0	0	113.8	V223 A224	V223-G227 PolarHBondContact O-N 3.45Å; A224-G227 PolarHBondContact O-N 3.31Å
228	M	97.1	Very high	96.9	Very high	28 Å²	28	50.8 Å²	50.8	14%	0.138	30%	0.301	C	S	.	.			trans	-112.1	15.8	-179.2	-62.3	-171.5	-174.3	0	0	112.6	M196 K199 K200 V223 N226 G230 S231 I232 F717	M196-M228 HydrophobicContact CB-SD 3.96Å; M196-M228 HydrophobicContact CG-SD 3.79Å; M196-M228 HydrophobicContact SD-SD 4.47Å; K199-M228 HydrophobicContact CB-SD 4Å; K199-M228 HydrophobicContact CG-SD 4.16Å; K200-M228 HydrophobicContact CB-CE 4.32Å; V223-M228 HydrophobicContact CG1-CB 3.88Å; V223-M228 WeakPolarHBondContact CG1-O 3.42Å; V223-M228 PolarHBondContact O-N 3.49Å; N226-M228 VanDerWaalsContact C-N 3.29Å; N226-M228 PolarHBondContact O-N 3.28Å; M228-G230 PolarHBondContact O-N 3.05Å; M228-S231 WeakPolarHBondContact O-CB 3.35Å; M228-S231 PolarHBondContact O-N 2.93Å; M228-S231 VanDerWaalsContact O-N 3.09Å; M228-I232 HydrophobicContact CB-CD1 4.29Å; M228-I232 HydrophobicContact SD-CD1 4.18Å; M228-F717 HydrophobicContact CE-CE1 3.98Å
229	E	92.9	Very high	97	Very high	155 Å²	155	50.7 Å²	50.7	72%	0.724	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	135.5	173.4	-164.1	176.9	-173.8	0	0	111	A224 S231	A224-E229 HydrophobicContact CB-CB 4.12Å; A224-E229 HydrophobicContact CB-CG 4.26Å; E229-S231 PolarHBondContact O-N 2.84Å
230	G	90.3	Very high	96.9	Very high	81 Å²	81	53.4 Å²	53.4	84%	0.835	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-9.8	-177.1	0	0	0	0	0	115.2	M228	M228-G230 PolarHBondContact O-N 3.05Å
231	S	92.7	Very high	96.9	Very high	51 Å²	51	55.9 Å²	55.9	36%	0.357	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-21	175.4	-71.2	0	0	0	0	113.5	K199 M228 E229	K199-S231 PolarHBondContact NZ-O 3.18Å; M228-S231 WeakPolarHBondContact O-CB 3.35Å; M228-S231 PolarHBondContact O-N 2.93Å; M228-S231 VanDerWaalsContact O-N 3.09Å; E229-S231 PolarHBondContact O-N 2.84Å
232	I	98.1	Very high	96.9	Very high	12 Å²	12	51 Å²	51	6%	0.062	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.3	175.3	-54.9	176.6	0	0	0	106.9	M196 K199 V206 A208 V223 M228 I234	M196-I232 HydrophobicContact CB-CD1 4.5Å; M196-I232 HydrophobicContact CG-CD1 3.9Å; K199-I232 HydrophobicContact CB-CD1 4.15Å; K199-I232 HydrophobicContact CB-CG1 4.23Å; K199-I232 HydrophobicContact CG-CG1 4.44Å; V206-I232 HydrophobicContact CB-CB 4.49Å; V206-I232 HydrophobicContact CB-CG1 4.13Å; V206-I232 HydrophobicContact CB-CG2 4.24Å; V206-I232 HydrophobicContact CG1-CG1 4.3Å; V206-I232 HydrophobicContact CG1-CG2 3.91Å; V206-I232 WeakPolarHBondContact O-CA 3.33Å; A208-I232 HydrophobicContact CB-CG2 4.38Å; V223-I232 HydrophobicContact CG1-CB 4.22Å; V223-I232 HydrophobicContact CG1-CD1 4.2Å; V223-I232 HydrophobicContact CG1-CG1 4.49Å; V223-I232 HydrophobicContact CG2-CD1 4.21Å; M228-I232 HydrophobicContact CB-CD1 4.29Å; M228-I232 HydrophobicContact SD-CD1 4.18Å; I232-I234 HydrophobicContact CG2-CG1 4.15Å
233	K	98	Very high	96.8	Very high	98 Å²	98	56.5 Å²	56.5	43%	0.426	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107.3	175.7	-176.7	-175.3	-176.1	-169.3	0	109.2	V206 Y207 A208 D247	V206-K233 PolarHBondContact O-N 3.06Å; Y207-K233 CarbonylContact C-O 3.59Å; Y207-K233 WeakPolarHBondContact CA-O 3.03Å; Y207-K233 HydrophobicContact CD1-CB 3.87Å; Y207-K233 HydrophobicContact CD1-CD 3.99Å; Y207-K233 HydrophobicContact CD1-CG 4.39Å; Y207-K233 HydrophobicContact CE1-CB 4.26Å; Y207-K233 HydrophobicContact CE1-CD 4.05Å; A208-K233 PolarHBondContact N-O 3.41Å; K233-D247 PolarHBondContact NZ-O 3.11Å
234	I	98.3	Very high	96.8	Very high	19 Å²	19	58.8 Å²	58.8	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137.2	177.3	-43	-177.8	0	0	0	109	T189 A208 Y216 A219 V223 I232	T189-I234 HydrophobicContact CG2-CG2 4.26Å; A208-I234 HydrophobicContact CB-CB 4.5Å; A208-I234 HydrophobicContact CB-CG1 4.31Å; A208-I234 HydrophobicContact CB-CG2 4.22Å; A208-I234 CarbonylContact O-C 3.55Å; A208-I234 WeakPolarHBondContact O-CA 3.47Å; Y216-I234 HydrophobicContact CD2-CB 4.4Å; Y216-I234 HydrophobicContact CD2-CG2 3.68Å; Y216-I234 HydrophobicContact CE2-CB 4.1Å; Y216-I234 HydrophobicContact CE2-CG2 3.88Å; A219-I234 HydrophobicContact CB-CD1 3.8Å; V223-I234 HydrophobicContact CB-CD1 4.29Å; V223-I234 HydrophobicContact CG2-CD1 3.9Å; I232-I234 HydrophobicContact CG2-CG1 4.15Å
235	L	98.3	Very high	96.7	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.126	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.3	-179.4	-64.2	164.9	0	0	0	109.5	A208 C209 E210 K237 M242 D247 I248	A208-L235 PolarHBondContact O-N 3.22Å; C209-L235 VanDerWaalsContact CA-O 3.32Å; C209-L235 WeakPolarHBondContact CA-O 3.43Å; C209-L235 HydrophobicContact CB-CB 4.44Å; E210-L235 PolarHBondContact N-O 3.27Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 HydrophobicContact CB-CB 4.37Å; L235-K237 PolarHBondContact O-N 2.9Å; L235-M242 HydrophobicContact CD1-CE 3.48Å; L235-M242 VanDerWaalsContact CD1-CE 3.48Å; L235-M242 HydrophobicContact CD1-SD 4.32Å; L235-D247 HydrophobicContact CD1-CB 4.07Å; L235-I248 HydrophobicContact CD1-CG2 4.27Å
236	H	97.9	Very high	96.6	Very high	93 Å²	93	64.1 Å²	64.1	43%	0.431	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	86.1	167.6	-179.4	-142	0	0	0	108.6	E210 L211 K213 Y216	E210-H236 CarbonylContact O-C 3.47Å; E210-H236 WeakPolarHBondContact O-CA 3.47Å; L211-H236 PolarHBondContact O-CD2 3.47Å; L211-H236 PolarHBondContact O-NE2 2.96Å; L211-H236 VanDerWaalsContact O-NE2 3.11Å; K213-H236 WeakPolarHBondContact CA-NE2 3.37Å; K213-H236 PolarHBondContact N-NE2 3.4Å; Y216-H236 HydrophobicContact CD1-CB 3.76Å; Y216-H236 HydrophobicContact CD2-CB 3.72Å; Y216-H236 HydrophobicContact CE1-CB 4.02Å; Y216-H236 HydrophobicContact CE2-CB 3.97Å; Y216-H236 HydrophobicContact CG-CB 3.61Å
237	K	97.1	Very high	96.5	Very high	63 Å²	63	63.3 Å²	63.3	27%	0.274	36%	0.364	S	S	.	.	S	Bend	trans	-163.2	147.1	-172.3	-145.6	179.1	-153.7	-173.7	0	111	C209 E210 L235 D241 M242 D247	C209-K237 WeakPolarHBondContact CB-O 3.1Å; E210-K237 PolarHBondContact O-N 3.17Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 HydrophobicContact CB-CB 4.37Å; L235-K237 PolarHBondContact O-N 2.9Å; K237-D241 HydrophobicContact CD-CB 4.24Å; K237-D241 WeakPolarHBondContact CE-O 3.21Å; K237-D241 HydrophobicContact CG-CB 4.14Å; K237-D241 PolarHBondContact NZ-O 3.33Å; K237-M242 HydrophobicContact CD-CG 4.09Å; K237-D247 IonicContact NZ-OD1 3.9Å; K237-D247 PolarHBondContact NZ-OD1 3.12Å; K237-D247 IonicContact NZ-OD2 2.87Å; K237-D247 PolarHBondContact NZ-OD2 2.87Å
238	K	96.6	Very high	96.5	Very high	96 Å²	96	60 Å²	60	42%	0.417	33%	0.33	S	S	.	.			trans	-70.4	142.5	164.6	-163.2	173.8	-176.3	177.6	0	109.5	L211 L240 D241	L211-K238 HydrophobicContact CD1-CB 4.29Å; K238-L240 HydrophobicContact CD-CB 4.36Å; K238-L240 HydrophobicContact CD-CD1 4.14Å; K238-L240 HydrophobicContact CD-CG 4.33Å; K238-L240 HydrophobicContact CG-CB 4.34Å; K238-L240 HydrophobicContact CG-CG 4.4Å; K238-L240 PolarHBondContact O-N 2.94Å; K238-D241 PolarHBondContact O-N 3.5Å
239	S	97.2	Very high	96.5	Very high	5 Å²	5	61.3 Å²	61.3	4%	0.035	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.6	177.9	58.7	0	0	0	0	112.9	D241 M242 S272 H275	S239-D241 PolarHBondContact O-N 3.4Å; S239-M242 WeakPolarHBondContact O-CB 3.46Å; S239-M242 PolarHBondContact O-N 2.89Å; S239-S272 PolarHBondContact OG-OG 2.7Å; S239-H275 PolarHBondContact O-CE1 3.1Å; S239-H275 PolarHBondContact O-ND1 2.92Å
240	L	97.3	Very high	96.7	Very high	57 Å²	57	58.8 Å²	58.8	30%	0.298	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.9	178.3	-60	-177.5	0	0	0	113.9	K238 E271 H275	K238-L240 HydrophobicContact CD-CB 4.36Å; K238-L240 HydrophobicContact CD-CD1 4.14Å; K238-L240 HydrophobicContact CD-CG 4.33Å; K238-L240 HydrophobicContact CG-CB 4.34Å; K238-L240 HydrophobicContact CG-CG 4.4Å; K238-L240 PolarHBondContact O-N 2.94Å; L240-E271 HydrophobicContact CD2-CB 4.44Å; L240-E271 WeakPolarHBondContact CD2-O 3.47Å; L240-H275 HydrophobicContact CD2-CB 3.5Å; L240-H275 VanDerWaalsContact CD2-CB 3.5Å; L240-H275 PolarHBondContact O-NE2 3.18Å
241	D	97.6	Very high	97	Very high	95 Å²	95	59.3 Å²	59.3	51%	0.508	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-102.1	5.1	-179.2	-55.3	-42.7	0	0	0	112	K237 K238 S239	K237-D241 HydrophobicContact CD-CB 4.24Å; K237-D241 WeakPolarHBondContact CE-O 3.21Å; K237-D241 HydrophobicContact CG-CB 4.14Å; K237-D241 PolarHBondContact NZ-O 3.33Å; K238-D241 PolarHBondContact O-N 3.5Å; S239-D241 PolarHBondContact O-N 3.4Å
242	M	97.7	Very high	97.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.			trans	-82.9	136.5	179.7	-69.3	-174.8	61	0	0	111.8	L185 C209 L235 K237 S239 D247 I248 H275 L280	L185-M242 HydrophobicContact CD1-CE 3.84Å; L185-M242 HydrophobicContact CD1-SD 4.26Å; L185-M242 HydrophobicContact CD2-CE 4.35Å; C209-M242 HydrophobicContact CB-SD 3.57Å; C209-M242 VanDerWaalsContact CB-SD 3.57Å; L235-M242 HydrophobicContact CD1-CE 3.48Å; L235-M242 VanDerWaalsContact CD1-CE 3.48Å; L235-M242 HydrophobicContact CD1-SD 4.32Å; K237-M242 HydrophobicContact CD-CG 4.09Å; S239-M242 WeakPolarHBondContact O-CB 3.46Å; S239-M242 PolarHBondContact O-N 2.89Å; M242-D247 WeakPolarHBondContact CA-OD2 3.42Å; M242-I248 HydrophobicContact CE-CG2 3.77Å; M242-H275 PolarHBondContact O-CE1 3.46Å; M242-L280 HydrophobicContact CB-CD1 4.1Å; M242-L280 HydrophobicContact CB-CD2 3.97Å
243	E	97.1	Very high	97.2	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.533	29%	0.292	S	S	.	.			trans	-127.5	146.7	-178.3	-63.6	-178.1	170.7	0	0	112.8	T246 D247 I248	E243-T246 PolarHBondContact O-N 2.92Å; E243-T246 PolarHBondContact OE2-OG1 2.91Å; E243-D247 PolarHBondContact N-OD2 3.43Å; E243-D247 PolarHBondContact O-N 3.1Å; E243-I248 PolarHBondContact O-N 3.08Å
244	V	96.4	Very high	97.3	Very high	52 Å²	52	52.1 Å²	52.1	32%	0.315	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	126.5	167.4	-179.7	0	0	0	0	108.1	I248 R251 L280	V244-I248 HydrophobicContact CG2-CD1 3.95Å; V244-I248 HydrophobicContact CG2-CG1 3.69Å; V244-R251 HydrophobicContact CG2-CG 4.23Å; V244-L280 HydrophobicContact CG2-CD2 4.24Å
245	P	96.1	Very high	97.3	Very high	97 Å²	97	51.2 Å²	51.2	63%	0.63	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.8	3.5	7.5	37.5	-36	0	0	0	115.4	I248	P245-I248 CarbonylContact C-O 3.53Å; P245-I248 VanDerWaalsContact C-O 3.26Å; P245-I248 WeakPolarHBondContact CA-O 3.49Å
246	T	96.6	Very high	97.3	Very high	99 Å²	99	50.1 Å²	50.1	61%	0.607	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-52	-169	-51	0	0	0	0	113	E243	E243-T246 PolarHBondContact O-N 2.92Å; E243-T246 PolarHBondContact OE2-OG1 2.91Å
247	D	96.6	Very high	97.3	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.112	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-39.6	-176.2	-60.7	-66.3	0	0	0	111.8	K233 L235 K237 M242 E243	K233-D247 PolarHBondContact NZ-O 3.11Å; L235-D247 HydrophobicContact CD1-CB 4.07Å; K237-D247 IonicContact NZ-OD1 3.9Å; K237-D247 PolarHBondContact NZ-OD1 3.12Å; K237-D247 IonicContact NZ-OD2 2.87Å; K237-D247 PolarHBondContact NZ-OD2 2.87Å; M242-D247 WeakPolarHBondContact CA-OD2 3.42Å; E243-D247 PolarHBondContact N-OD2 3.43Å; E243-D247 PolarHBondContact O-N 3.1Å
248	I	96.9	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-129.6	141	175	63.9	176.2	0	0	0	109.7	Y207 L235 M242 E243 V244 P245 N250 V252 L280	Y207-I248 HydrophobicContact CD1-CB 4.21Å; Y207-I248 HydrophobicContact CD1-CG2 3.49Å; Y207-I248 VanDerWaalsContact CD1-CG2 3.49Å; Y207-I248 HydrophobicContact CD2-CG2 4.24Å; Y207-I248 HydrophobicContact CE1-CB 4.29Å; Y207-I248 HydrophobicContact CE1-CG2 4.04Å; Y207-I248 HydrophobicContact CG-CB 4.37Å; Y207-I248 HydrophobicContact CG-CG2 3.62Å; L235-I248 HydrophobicContact CD1-CG2 4.27Å; M242-I248 HydrophobicContact CE-CG2 3.77Å; E243-I248 PolarHBondContact O-N 3.08Å; V244-I248 HydrophobicContact CG2-CD1 3.95Å; V244-I248 HydrophobicContact CG2-CG1 3.69Å; P245-I248 CarbonylContact C-O 3.53Å; P245-I248 VanDerWaalsContact C-O 3.26Å; P245-I248 WeakPolarHBondContact CA-O 3.49Å; I248-N250 PolarHBondContact O-N 3.14Å; I248-V252 HydrophobicContact CD1-CG1 4.28Å; I248-L280 HydrophobicContact CD1-CD2 4.14Å
249	P	96.6	Very high	97.1	Very high	55 Å²	55	40 Å²	40	36%	0.357	22%	0.218	S	C	.	.	S	Bend	trans	-70	-33	-168.7	27.1	-34.9	0	0	0	113.3	Y207	Y207-P249 WeakPolarHBondContact OH-CD 3.45Å; Y207-P249 WeakPolarHBondContact OH-CG 3.31Å
250	N	96.7	Very high	96.9	Very high	103 Å²	103	39.8 Å²	39.8	55%	0.551	22%	0.217	S	C	*	.	S	Bend	trans	-143.4	160.3	-177.3	-62	-71.8	0	0	0	110.1	I248	I248-N250 PolarHBondContact O-N 3.14Å
251	R	97.4	Very high	96.7	Very high	92 Å²	92	38.5 Å²	38.5	35%	0.347	21%	0.21	S	C	.	.			trans	-59.9	144.4	169.1	-74.2	171.8	176.1	-110.6	2.8	111.5	V244 W277 H278 L280 L281 L282	V244-R251 HydrophobicContact CG2-CG 4.23Å; R251-W277 PolarHBondContact NH1-O 3.26Å; R251-H278 VanDerWaalsContact CZ-O 3.26Å; R251-H278 PolarHBondContact NH1-O 3.48Å; R251-H278 PolarHBondContact NH2-O 3.08Å; R251-L280 CarbonylContact C-O 3.49Å; R251-L280 WeakPolarHBondContact CA-O 3.41Å; R251-L280 WeakPolarHBondContact CB-O 3.47Å; R251-L281 VanDerWaalsContact CD-O 3.28Å; R251-L281 WeakPolarHBondContact CD-O 3.47Å; R251-L281 PolarHBondContact NH1-O 2.84Å; R251-L282 HydrophobicContact CB-CD2 4.04Å; R251-L282 HydrophobicContact CB-CG 4.42Å
252	V	98.1	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-91	152.8	-176.8	-63.6	0	0	0	0	112.6	T183 L185 Y207 I248 V255 L280 L281 L282	T183-V252 WeakPolarHBondContact OG1-CA 3.28Å; L185-V252 HydrophobicContact CB-CB 4.39Å; L185-V252 HydrophobicContact CB-CG1 4.1Å; L185-V252 HydrophobicContact CB-CG2 3.74Å; Y207-V252 HydrophobicContact CD2-CG1 4.04Å; Y207-V252 HydrophobicContact CE2-CG1 4.5Å; I248-V252 HydrophobicContact CD1-CG1 4.28Å; V252-V255 HydrophobicContact CG2-CG2 3.98Å; V252-L280 WeakPolarHBondContact CG2-O 3.33Å; V252-L280 PolarHBondContact N-O 2.98Å; V252-L281 HydrophobicContact CG2-CD2 4.07Å; V252-L281 HydrophobicContact CG2-CG 4.48Å; V252-L282 WeakPolarHBondContact O-CG 3.32Å; V252-L282 PolarHBondContact O-N 2.92Å
253	S	97.7	Very high	96.2	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	19%	0.189	C	C	.	.	S	Bend	trans	-84.6	-18	176.4	61.8	0	0	0	0	114.1	C181 K182 T183 R299	C181-S253 WeakPolarHBondContact CA-OG 3.46Å; K182-S253 PolarHBondContact N-OG 2.93Å; T183-S253 PolarHBondContact N-OG 2.71Å; T183-S253 VanDerWaalsContact N-OG 3.08Å; T183-S253 PolarHBondContact O-N 3.5Å; T183-S253 PolarHBondContact O-OG 3.34Å; T183-S253 PolarHBondContact OG1-N 3.32Å; T183-S253 PolarHBondContact OG1-OG 2.84Å; S253-R299 PolarHBondContact O-N 3.23Å; S253-R299 VanDerWaalsContact O-N 3.17Å
254	L	98.4	Very high	96	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.2	179.5	178.4	66.1	0	0	0	109.8	A176 C181 T183 I184 L185 V256 R299 I301	A176-L254 HydrophobicContact CB-CD1 4.42Å; A176-L254 HydrophobicContact CB-CD2 3.85Å; C181-L254 HydrophobicContact CB-CB 3.91Å; C181-L254 HydrophobicContact CB-CD2 4.39Å; T183-L254 PolarHBondContact O-N 2.98Å; T183-L254 VanDerWaalsContact O-N 3.11Å; I184-L254 CarbonylContact C-O 3.53Å; I184-L254 VanDerWaalsContact CA-O 3.32Å; I184-L254 WeakPolarHBondContact CA-O 3.49Å; I184-L254 HydrophobicContact CG1-CB 4.18Å; I184-L254 HydrophobicContact CG1-CD2 4.04Å; L185-L254 PolarHBondContact N-O 3.1Å; L254-V256 HydrophobicContact CD2-CG2 3.86Å; L254-V256 HydrophobicContact CG-CG2 3.95Å; L254-R299 CarbonylContact C-O 3.41Å; L254-R299 WeakPolarHBondContact CA-O 3.2Å; L254-R299 HydrophobicContact CD1-CB 4.04Å; L254-I301 HydrophobicContact CD1-CD1 4.02Å; L254-I301 HydrophobicContact CD1-CG1 4Å; L254-I301 HydrophobicContact CD2-CD1 4.26Å
255	V	98.8	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.2	161.5	163.4	0	0	0	0	107.9	L185 I187 V252 L273 A276 L281 R299 V300 I301	L185-V255 HydrophobicContact CB-CG2 4.15Å; L185-V255 HydrophobicContact CD2-CG2 4.32Å; L185-V255 CarbonylContact O-C 3.6Å; L185-V255 VanDerWaalsContact O-CA 3.31Å; L185-V255 WeakPolarHBondContact O-CA 3.32Å; I187-V255 HydrophobicContact CD1-CG1 3.67Å; I187-V255 HydrophobicContact CG1-CG1 4.17Å; V252-V255 HydrophobicContact CG2-CG2 3.98Å; V255-L273 HydrophobicContact CG1-CD2 4.13Å; V255-A276 HydrophobicContact CG2-CB 4.25Å; V255-L281 HydrophobicContact CB-CD1 4.14Å; V255-L281 HydrophobicContact CB-CD2 4.16Å; V255-L281 HydrophobicContact CB-CG 4.3Å; V255-L281 HydrophobicContact CG2-CD1 3.8Å; V255-L281 HydrophobicContact CG2-CD2 3.66Å; V255-L281 HydrophobicContact CG2-CG 3.54Å; V255-R299 PolarHBondContact N-O 3.1Å; V255-V300 HydrophobicContact CB-CG2 4.45Å; V255-V300 HydrophobicContact CG1-CG1 4.5Å; V255-V300 CarbonylContact O-C 3.58Å; V255-V300 WeakPolarHBondContact O-CA 3.47Å; V255-I301 PolarHBondContact O-N 3.3Å
256	V	98.6	Very high	95.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.1	167.6	-173.8	0	0	0	0	106.8	Y169 I173 I184 L185 D186 I187 L194 L254 I301	Y169-V256 HydrophobicContact CD1-CG1 4.26Å; Y169-V256 HydrophobicContact CE1-CG1 4.16Å; I173-V256 HydrophobicContact CD1-CG1 4.02Å; I173-V256 HydrophobicContact CD1-CG2 4.37Å; I173-V256 HydrophobicContact CG1-CG1 4.3Å; I173-V256 HydrophobicContact CG1-CG2 4.05Å; I184-V256 HydrophobicContact CG2-CG2 4.22Å; L185-V256 PolarHBondContact O-N 3.23Å; D186-V256 WeakPolarHBondContact CA-O 3.39Å; I187-V256 PolarHBondContact N-O 3.4Å; L194-V256 HydrophobicContact CB-CG1 4.31Å; L194-V256 HydrophobicContact CD1-CG1 3.84Å; L254-V256 HydrophobicContact CD2-CG2 3.86Å; L254-V256 HydrophobicContact CG-CG2 3.95Å; V256-I301 CarbonylContact C-O 3.52Å; V256-I301 VanDerWaalsContact CA-O 3.31Å; V256-I301 WeakPolarHBondContact CA-O 3.49Å; V256-I301 HydrophobicContact CG1-CB 4.44Å; V256-I301 HydrophobicContact CG1-CG2 4.41Å; V256-I301 HydrophobicContact CG2-CB 4.38Å
257	T	98.1	Very high	95.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.7	174.2	-174.6	0	0	0	0	110.7	Y169 I187 T259 I269 L273 I301 P302	Y169-T257 PolarHBondContact OH-O 2.91Å; Y169-T257 VanDerWaalsContact OH-O 3.11Å; I187-T257 PolarHBondContact O-OG1 3.12Å; T257-T259 PolarHBondContact OG1-N 3.4Å; T257-T259 PolarHBondContact OG1-OG1 3.43Å; T257-I269 HydrophobicContact CG2-CD1 4.08Å; T257-I269 HydrophobicContact CG2-CG1 4.32Å; T257-L273 HydrophobicContact CG2-CD2 4.21Å; T257-I301 PolarHBondContact N-O 3.47Å; T257-P302 VanDerWaalsContact O-CD 3.24Å; T257-P302 WeakPolarHBondContact O-CD 3.31Å
258	E	95.3	Very high	94.9	Very high	19 Å²	19	21.3 Å²	21.3	9%	0.089	12%	0.118	C	C	.	.			trans	-136.7	28.8	167.8	-158.6	-115	-176.8	0	0	111.8	R165 Y169 L194 V260 W436	R165-E258 IonicContact CZ-OE1 2.78Å; R165-E258 IonicContact CZ-OE2 3.74Å; R165-E258 IonicContact NE-OE1 3Å; R165-E258 VanDerWaalsContact NH1-CD 3.3Å; R165-E258 IonicContact NH1-OE1 3.99Å; R165-E258 PolarHBondContact NH1-OE1 2.78Å; R165-E258 IonicContact NH1-OE2 3.73Å; R165-E258 PolarHBondContact NH1-OE2 3.03Å; R165-E258 IonicContact NH2-OE1 3.07Å; R165-E258 PolarHBondContact NH2-OE1 3.38Å; R165-E258 IonicContact NH2-OE2 3.16Å; R165-E258 PolarHBondContact NH2-OE2 3.35Å; Y169-E258 HydrophobicContact CE2-CG 4.1Å; Y169-E258 WeakPolarHBondContact OH-CG 3.48Å; L194-E258 HydrophobicContact CD1-CB 4.21Å; E258-V260 PolarHBondContact O-N 3.13Å; E258-W436 VanDerWaalsContact OE1-CZ2 3.23Å; E258-W436 WeakPolarHBondContact OE1-CZ2 3.24Å
259	T	94.1	Very high	94.8	Very high	20 Å²	20	21.3 Å²	21.3	12%	0.123	12%	0.118	C	C	.	.			trans	-78.6	70.4	174.9	59.2	0	0	0	0	110.2	I187 T257 E267 I269	I187-T259 HydrophobicContact CG2-CG2 4.39Å; T257-T259 PolarHBondContact OG1-N 3.4Å; T257-T259 PolarHBondContact OG1-OG1 3.43Å; T259-E267 WeakPolarHBondContact CA-OE2 3.34Å; T259-I269 WeakPolarHBondContact O-CB 3.31Å
260	V	93.9	Very high	94.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.			trans	-130.3	147	-179.3	-64.6	0	0	0	0	108.8	E258 L264 E267 I269 F416 L418 W436	E258-V260 PolarHBondContact O-N 3.13Å; V260-L264 HydrophobicContact CB-CD1 4.37Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-E267 PolarHBondContact N-OE2 3.1Å; V260-E267 VanDerWaalsContact N-OE2 3.12Å; V260-I269 HydrophobicContact CG1-CD1 3.59Å; V260-F416 HydrophobicContact CG2-CZ 4.4Å; V260-L418 HydrophobicContact CG2-CD1 4.28Å; V260-W436 HydrophobicContact CG2-CH2 4.06Å; V260-W436 HydrophobicContact CG2-CZ2 3.76Å; V260-W436 WeakPolarHBondContact O-CH2 3.04Å; V260-W436 VanDerWaalsContact O-CZ3 3.28Å; V260-W436 WeakPolarHBondContact O-CZ3 3.23Å
261	D	92.6	Very high	94.6	Very high	29 Å²	29	17.6 Å²	17.6	16%	0.155	9%	0.092	C	C	.	.			trans	-113.2	-170.2	170.4	69.6	-22.8	0	0	0	111.4	G263 L264 F265 G266 E267 Y356 F416	D261-G263 PolarHBondContact O-N 3.44Å; D261-G263 PolarHBondContact OD1-N 2.77Å; D261-L264 WeakPolarHBondContact O-CA 3.37Å; D261-L264 PolarHBondContact O-N 3.2Å; D261-L264 VanDerWaalsContact OD1-C 3.3Å; D261-L264 PolarHBondContact OD1-N 3.12Å; D261-F265 PolarHBondContact OD1-N 2.79Å; D261-G266 VanDerWaalsContact CG-CA 3.49Å; D261-G266 VanDerWaalsContact CG-N 3.33Å; D261-G266 WeakPolarHBondContact OD1-CA 3.4Å; D261-G266 PolarHBondContact OD1-N 3.46Å; D261-G266 WeakPolarHBondContact OD2-CA 3.4Å; D261-E267 HydrophobicContact CB-CG 4.07Å; D261-Y356 PolarHBondContact OD2-OH 3.47Å; D261-F416 WeakPolarHBondContact O-CE1 3.39Å; D261-F416 WeakPolarHBondContact O-CZ 3.46Å
262	A	91.9	Very high	94.6	Very high	6 Å²	6	13.7 Å²	13.7	5%	0.05	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.8	177.7	0	0	0	0	0	113.4	L264 T358 F416 E437 A439	A262-L264 VanDerWaalsContact C-N 3.33Å; A262-T358 HydrophobicContact CB-CG2 3.57Å; A262-F416 WeakPolarHBondContact O-CE1 3.39Å; A262-E437 WeakPolarHBondContact CB-O 3.5Å; A262-A439 HydrophobicContact CB-CB 4.44Å
263	G	92.1	Very high	94.5	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	13.2	175.1	0	0	0	0	0	114.4	D261 F265 Y356	D261-G263 PolarHBondContact O-N 3.44Å; D261-G263 PolarHBondContact OD1-N 2.77Å; G263-F265 PolarHBondContact O-N 3.12Å; G263-Y356 WeakPolarHBondContact CA-OH 3.48Å
264	L	94	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	67.8	-42.3	-176.8	-177.2	64.7	0	0	0	115.3	V260 D261 A262 A305 V307 I380 F382 F416 L418	V260-L264 HydrophobicContact CB-CD1 4.37Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; D261-L264 WeakPolarHBondContact O-CA 3.37Å; D261-L264 PolarHBondContact O-N 3.2Å; D261-L264 VanDerWaalsContact OD1-C 3.3Å; D261-L264 PolarHBondContact OD1-N 3.12Å; A262-L264 VanDerWaalsContact C-N 3.33Å; L264-A305 HydrophobicContact CD1-CB 4.21Å; L264-A305 HydrophobicContact CD2-CB 3.61Å; L264-V307 HydrophobicContact CD2-CG2 3.74Å; L264-I380 HydrophobicContact CD2-CG2 4.43Å; L264-F382 HydrophobicContact CD1-CZ 4.39Å; L264-F416 HydrophobicContact CB-CD1 3.85Å; L264-F416 HydrophobicContact CB-CE1 4.2Å; L264-F416 HydrophobicContact CB-CG 4.22Å; L264-F416 HydrophobicContact CD1-CD1 4.43Å; L264-F416 HydrophobicContact CD1-CD2 4.05Å; L264-F416 HydrophobicContact CD1-CE2 4.18Å; L264-F416 HydrophobicContact CD1-CG 4.17Å; L264-F416 HydrophobicContact CD1-CZ 4.42Å; L264-L418 HydrophobicContact CD1-CD2 3.59Å
265	F	92.2	Very high	94.4	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.013	9%	0.092	C	C	.	.	S	Bend	trans	-101.8	-11.2	-169.2	-56.3	-32.3	0	0	0	115.6	D261 G263 E267 G268 I269 I270 L378 I380 A466 L468	D261-F265 PolarHBondContact OD1-N 2.79Å; G263-F265 PolarHBondContact O-N 3.12Å; F265-E267 PolarHBondContact O-N 3.48Å; F265-E267 VanDerWaalsContact O-N 3.09Å; F265-G268 PolarHBondContact O-N 2.85Å; F265-I269 HydrophobicContact CD1-CG2 3.85Å; F265-I270 HydrophobicContact CD1-CD1 3.89Å; F265-I270 HydrophobicContact CD1-CG1 3.84Å; F265-I270 HydrophobicContact CE1-CD1 3.69Å; F265-I270 HydrophobicContact CE1-CG1 4.11Å; F265-I270 HydrophobicContact CG-CG1 4.22Å; F265-I270 HydrophobicContact CZ-CD1 4.32Å; F265-L378 HydrophobicContact CE2-CD2 3.66Å; F265-L378 HydrophobicContact CZ-CD2 3.52Å; F265-I380 HydrophobicContact CE1-CD1 4.02Å; F265-I380 HydrophobicContact CZ-CD1 4Å; F265-A466 VanDerWaalsContact CB-O 3.23Å; F265-A466 WeakPolarHBondContact CB-O 3.47Å; F265-L468 HydrophobicContact CD2-CB 3.92Å; F265-L468 HydrophobicContact CE2-CB 4.3Å
266	G	87.8	Confident	94.3	Very high	19 Å²	19	16.5 Å²	16.5	20%	0.196	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	-169	0	0	0	0	0	115.5	D261	D261-G266 VanDerWaalsContact CG-CA 3.49Å; D261-G266 VanDerWaalsContact CG-N 3.33Å; D261-G266 WeakPolarHBondContact OD1-CA 3.4Å; D261-G266 PolarHBondContact OD1-N 3.46Å; D261-G266 WeakPolarHBondContact OD2-CA 3.4Å
267	E	90.2	Very high	94.3	Very high	72 Å²	72	17 Å²	17	34%	0.336	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	11	173.3	-61.6	-169.1	171.8	0	0	114.1	T259 V260 D261 F265	T259-E267 WeakPolarHBondContact CA-OE2 3.34Å; V260-E267 PolarHBondContact N-OE2 3.1Å; V260-E267 VanDerWaalsContact N-OE2 3.12Å; D261-E267 HydrophobicContact CB-CG 4.07Å; F265-E267 PolarHBondContact O-N 3.48Å; F265-E267 VanDerWaalsContact O-N 3.09Å
268	G	92	Very high	94.2	Very high	16 Å²	16	20.6 Å²	20.6	17%	0.165	11%	0.111	C	C	.	.			trans	72.5	35.9	173.8	0	0	0	0	0	114.2	F265 I270 E271 S272	F265-G268 PolarHBondContact O-N 2.85Å; G268-I270 VanDerWaalsContact C-N 3.26Å; G268-I270 PolarHBondContact O-N 3.09Å; G268-E271 WeakPolarHBondContact CA-OE2 3.43Å; G268-S272 WeakPolarHBondContact O-CB 3.37Å; G268-S272 PolarHBondContact O-N 3.17Å; G268-S272 VanDerWaalsContact O-N 3.16Å; G268-S272 PolarHBondContact O-OG 3.3Å
269	I	95	Very high	94.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-36.9	176.2	-171.9	165.7	0	0	0	112	T257 T259 V260 F265 L273 F382	T257-I269 HydrophobicContact CG2-CD1 4.08Å; T257-I269 HydrophobicContact CG2-CG1 4.32Å; T259-I269 WeakPolarHBondContact O-CB 3.31Å; V260-I269 HydrophobicContact CG1-CD1 3.59Å; F265-I269 HydrophobicContact CD1-CG2 3.85Å; I269-L273 HydrophobicContact CD1-CD1 4.23Å; I269-L273 HydrophobicContact CG1-CD1 3.73Å; I269-L273 HydrophobicContact CG1-CG 4.06Å; I269-L273 WeakPolarHBondContact O-CB 3.31Å; I269-L273 VanDerWaalsContact O-CG 3.23Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.98Å; I269-F382 HydrophobicContact CD1-CE1 4.22Å; I269-F382 HydrophobicContact CD1-CE2 4.1Å; I269-F382 HydrophobicContact CD1-CZ 3.85Å; I269-F382 HydrophobicContact CG1-CE1 4.49Å
270	I	94.2	Very high	94.5	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-51.8	-174.4	-60	-56.8	0	0	0	110.4	F265 G268 S272 L273 I274 I380 F382 L388 L391	F265-I270 HydrophobicContact CD1-CD1 3.89Å; F265-I270 HydrophobicContact CD1-CG1 3.84Å; F265-I270 HydrophobicContact CE1-CD1 3.69Å; F265-I270 HydrophobicContact CE1-CG1 4.11Å; F265-I270 HydrophobicContact CG-CG1 4.22Å; F265-I270 HydrophobicContact CZ-CD1 4.32Å; G268-I270 VanDerWaalsContact C-N 3.26Å; G268-I270 PolarHBondContact O-N 3.09Å; I270-S272 VanDerWaalsContact C-N 3.35Å; I270-S272 PolarHBondContact O-N 3.22Å; I270-L273 PolarHBondContact O-N 3.36Å; I270-I274 HydrophobicContact CG2-CD1 3.79Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.46Å; I270-I274 PolarHBondContact O-N 3.1Å; I270-I380 HydrophobicContact CD1-CD1 3.48Å; I270-I380 VanDerWaalsContact CD1-CD1 3.48Å; I270-F382 HydrophobicContact CD1-CE1 4.05Å; I270-L388 HydrophobicContact CD1-CD2 4.15Å; I270-L391 HydrophobicContact CD1-CD1 3.78Å; I270-L391 HydrophobicContact CG1-CD1 4.35Å; I270-L391 HydrophobicContact CG2-CD1 4.17Å
271	E	94.2	Very high	94.6	Very high	76 Å²	76	23.2 Å²	23.2	36%	0.355	12%	0.121	S	C	.	.	H	α-helix	trans	-64.4	-42.5	179.9	-57.1	95.4	132.9	0	0	110.9	L240 G268 L273 I274 H275 A466	L240-E271 HydrophobicContact CD2-CB 4.44Å; L240-E271 WeakPolarHBondContact CD2-O 3.47Å; G268-E271 WeakPolarHBondContact CA-OE2 3.43Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 2.85Å; E271-I274 PolarHBondContact O-N 3.06Å; E271-H275 WeakPolarHBondContact O-CB 3.41Å; E271-H275 PolarHBondContact O-N 3.13Å; E271-A466 WeakPolarHBondContact OE1-CB 3.21Å
272	S	96.5	Very high	94.8	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-43.6	176.3	-65.9	0	0	0	0	111.8	S239 G268 I270 A276	S239-S272 PolarHBondContact OG-OG 2.7Å; G268-S272 WeakPolarHBondContact O-CB 3.37Å; G268-S272 PolarHBondContact O-N 3.17Å; G268-S272 VanDerWaalsContact O-N 3.16Å; G268-S272 PolarHBondContact O-OG 3.3Å; I270-S272 VanDerWaalsContact C-N 3.35Å; I270-S272 PolarHBondContact O-N 3.22Å; S272-A276 VanDerWaalsContact O-CB 3.3Å; S272-A276 WeakPolarHBondContact O-CB 3.23Å; S272-A276 PolarHBondContact O-N 3.46Å
273	L	97.1	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.7	-37.3	179.8	-70	-178.8	0	0	0	113.1	V255 T257 I269 I270 E271 H275 A276 W277 V300 F382 L388	V255-L273 HydrophobicContact CG1-CD2 4.13Å; T257-L273 HydrophobicContact CG2-CD2 4.21Å; I269-L273 HydrophobicContact CD1-CD1 4.23Å; I269-L273 HydrophobicContact CG1-CD1 3.73Å; I269-L273 HydrophobicContact CG1-CG 4.06Å; I269-L273 WeakPolarHBondContact O-CB 3.31Å; I269-L273 VanDerWaalsContact O-CG 3.23Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.98Å; I270-L273 PolarHBondContact O-N 3.36Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 2.85Å; L273-H275 VanDerWaalsContact C-N 3.34Å; L273-A276 PolarHBondContact O-N 3.43Å; L273-W277 WeakPolarHBondContact O-CB 3.49Å; L273-W277 PolarHBondContact O-N 3.19Å; L273-V300 HydrophobicContact CD1-CG1 4.17Å; L273-V300 HydrophobicContact CD2-CG1 3.56Å; L273-V300 HydrophobicContact CD2-CG2 4.2Å; L273-F382 HydrophobicContact CD1-CB 3.76Å; L273-F382 HydrophobicContact CD1-CD1 3.5Å; L273-F382 VanDerWaalsContact CD1-CD1 3.5Å; L273-F382 HydrophobicContact CD1-CE1 4.22Å; L273-F382 HydrophobicContact CD1-CG 3.68Å; L273-L388 HydrophobicContact CB-CD1 3.89Å
274	I	96.1	Very high	94.1	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.195	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-50.1	172.4	-71.6	168	0	0	0	109.5	I270 E271 A276 W277 H278 L388 E389	I270-I274 HydrophobicContact CG2-CD1 3.79Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.46Å; I270-I274 PolarHBondContact O-N 3.1Å; E271-I274 PolarHBondContact O-N 3.06Å; I274-A276 VanDerWaalsContact C-N 3.35Å; I274-A276 PolarHBondContact O-N 3.25Å; I274-W277 PolarHBondContact O-N 3.01Å; I274-H278 PolarHBondContact O-CD2 3.04Å; I274-H278 PolarHBondContact O-N 2.62Å; I274-L388 HydrophobicContact CD1-CB 4.09Å; I274-L388 HydrophobicContact CG1-CB 3.67Å; I274-L388 HydrophobicContact CG1-CD1 4.42Å; I274-E389 HydrophobicContact CD1-CG 4.44Å; I274-E389 HydrophobicContact CG1-CG 4.42Å; I274-E389 HydrophobicContact CG2-CG 4.33Å
275	H	97.4	Very high	93	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-45.7	176.1	177.4	-96.9	0	0	0	111.6	S239 L240 M242 E271 L273 W277 H278 H279	S239-H275 PolarHBondContact O-CE1 3.1Å; S239-H275 PolarHBondContact O-ND1 2.92Å; L240-H275 HydrophobicContact CD2-CB 3.5Å; L240-H275 VanDerWaalsContact CD2-CB 3.5Å; L240-H275 PolarHBondContact O-NE2 3.18Å; M242-H275 PolarHBondContact O-CE1 3.46Å; E271-H275 WeakPolarHBondContact O-CB 3.41Å; E271-H275 PolarHBondContact O-N 3.13Å; L273-H275 VanDerWaalsContact C-N 3.34Å; H275-W277 PolarHBondContact O-N 2.71Å; H275-H278 PolarHBondContact O-N 3.3Å; H275-H279 AromaticContact CD2-CD2 3.25Å; H275-H279 PolarHBondContact CD2-CD2 3.43Å; H275-H279 AromaticContact CD2-CG 3.97Å; H275-H279 AromaticContact NE2-CD2 3.5Å; H275-H279 AromaticContact NE2-CG 3.74Å; H275-H279 WeakPolarHBondContact O-CB 3.48Å; H275-H279 PolarHBondContact O-CD2 3.38Å; H275-H279 PolarHBondContact O-N 2.67Å
276	A	97.9	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-59.1	-46.6	178.4	0	0	0	0	0	111.9	I187 V255 S272 L273 I274 H278 H279 L280 L281	I187-A276 HydrophobicContact CD1-CB 4.23Å; V255-A276 HydrophobicContact CG2-CB 4.25Å; S272-A276 VanDerWaalsContact O-CB 3.3Å; S272-A276 WeakPolarHBondContact O-CB 3.23Å; S272-A276 PolarHBondContact O-N 3.46Å; L273-A276 PolarHBondContact O-N 3.43Å; I274-A276 VanDerWaalsContact C-N 3.35Å; I274-A276 PolarHBondContact O-N 3.25Å; A276-H278 VanDerWaalsContact C-N 3.33Å; A276-H278 PolarHBondContact O-N 3.13Å; A276-H279 PolarHBondContact O-N 2.84Å; A276-L280 HydrophobicContact CB-CB 4.47Å; A276-L280 HydrophobicContact CB-CD1 4.48Å; A276-L280 CarbonylContact O-C 3.51Å; A276-L280 WeakPolarHBondContact O-CA 3.39Å; A276-L280 PolarHBondContact O-N 3.21Å; A276-L281 HydrophobicContact CB-CD1 4.24Å; A276-L281 WeakPolarHBondContact O-CB 3.39Å; A276-L281 PolarHBondContact O-N 3.3Å
277	W	97.3	Very high	90	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.045	27%	0.266	C	S	.	.	I	π-helix	trans	-59.4	-42.5	176.4	-84.7	115	0	0	0	112.7	R251 L273 I274 H275 L281 P284 V300 F382 N383 V385	R251-W277 PolarHBondContact NH1-O 3.26Å; L273-W277 WeakPolarHBondContact O-CB 3.49Å; L273-W277 PolarHBondContact O-N 3.19Å; I274-W277 PolarHBondContact O-N 3.01Å; H275-W277 PolarHBondContact O-N 2.71Å; W277-L281 HydrophobicContact CD2-CD1 3.77Å; W277-L281 HydrophobicContact CE3-CB 4.09Å; W277-L281 HydrophobicContact CE3-CD1 3.99Å; W277-L281 HydrophobicContact CG-CD1 4.19Å; W277-L281 HydrophobicContact CH2-CD1 4.36Å; W277-L281 HydrophobicContact CZ2-CD1 4.14Å; W277-L281 HydrophobicContact CZ3-CB 4.37Å; W277-L281 HydrophobicContact CZ3-CD1 4.29Å; W277-P284 HydrophobicContact CH2-CB 4.36Å; W277-P284 HydrophobicContact CZ3-CB 3.93Å; W277-P284 HydrophobicContact CZ3-CG 4.45Å; W277-V300 HydrophobicContact CZ2-CG2 3.71Å; W277-F382 PolarHBondContact NE1-O 3.38Å; W277-N383 HydrophobicContact CZ2-CB 4.12Å; W277-V385 HydrophobicContact CB-CB 3.97Å; W277-V385 HydrophobicContact CB-CG2 3.7Å; W277-V385 HydrophobicContact CG-CB 3.95Å; W277-V385 HydrophobicContact CG-CG2 4.17Å
278	H	96.3	Very high	87.8	Confident	77 Å²	77	58 Å²	58	36%	0.356	30%	0.295	S	S	.	.	I	π-helix	trans	-73.5	-36.4	-178.5	-77.6	-53.7	0	0	0	113.8	R251 I274 H275 A276 E389	R251-H278 VanDerWaalsContact CZ-O 3.26Å; R251-H278 PolarHBondContact NH1-O 3.48Å; R251-H278 PolarHBondContact NH2-O 3.08Å; I274-H278 PolarHBondContact O-CD2 3.04Å; I274-H278 PolarHBondContact O-N 2.62Å; H275-H278 PolarHBondContact O-N 3.3Å; A276-H278 VanDerWaalsContact C-N 3.33Å; A276-H278 PolarHBondContact O-N 3.13Å; H278-E389 IonicContact CD2-OE1 2.76Å; H278-E389 IonicContact CE1-OE1 3.17Å; H278-E389 PolarHBondContact CE1-OE1 2.86Å; H278-E389 IonicContact NE2-OE1 2.65Å; H278-E389 PolarHBondContact NE2-OE1 3.34Å
279	H	97.3	Very high	85.5	Confident	94 Å²	94	60 Å²	60	44%	0.435	32%	0.316	S	S	.	.	I	π-helix	trans	-120.8	-33.3	-165.4	-58.6	-76.5	0	0	0	114.4	H275 A276	H275-H279 AromaticContact CD2-CD2 3.25Å; H275-H279 PolarHBondContact CD2-CD2 3.43Å; H275-H279 AromaticContact CD2-CG 3.97Å; H275-H279 AromaticContact NE2-CD2 3.5Å; H275-H279 AromaticContact NE2-CG 3.74Å; H275-H279 WeakPolarHBondContact O-CB 3.48Å; H275-H279 PolarHBondContact O-CD2 3.38Å; H275-H279 PolarHBondContact O-N 2.67Å; A276-H279 PolarHBondContact O-N 2.84Å
280	L	98	Very high	83	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	I	π-helix	trans	-112.1	-30.7	-165.7	-52.8	178.4	0	0	0	114	L185 M242 V244 I248 R251 V252 A276	L185-L280 HydrophobicContact CD2-CB 4.24Å; L185-L280 HydrophobicContact CD2-CD1 3.68Å; M242-L280 HydrophobicContact CB-CD1 4.1Å; M242-L280 HydrophobicContact CB-CD2 3.97Å; V244-L280 HydrophobicContact CG2-CD2 4.24Å; I248-L280 HydrophobicContact CD1-CD2 4.14Å; R251-L280 CarbonylContact C-O 3.49Å; R251-L280 WeakPolarHBondContact CA-O 3.41Å; R251-L280 WeakPolarHBondContact CB-O 3.47Å; V252-L280 WeakPolarHBondContact CG2-O 3.33Å; V252-L280 PolarHBondContact N-O 2.98Å; A276-L280 HydrophobicContact CB-CB 4.47Å; A276-L280 HydrophobicContact CB-CD1 4.48Å; A276-L280 CarbonylContact O-C 3.51Å; A276-L280 WeakPolarHBondContact O-CA 3.39Å; A276-L280 PolarHBondContact O-N 3.21Å
281	L	97.1	Very high	80.9	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-90.6	149.7	-178.6	-85.6	164.6	0	0	0	112.1	R251 V252 V255 A276 W277 V300	R251-L281 VanDerWaalsContact CD-O 3.28Å; R251-L281 WeakPolarHBondContact CD-O 3.47Å; R251-L281 PolarHBondContact NH1-O 2.84Å; V252-L281 HydrophobicContact CG2-CD2 4.07Å; V252-L281 HydrophobicContact CG2-CG 4.48Å; V255-L281 HydrophobicContact CB-CD1 4.14Å; V255-L281 HydrophobicContact CB-CD2 4.16Å; V255-L281 HydrophobicContact CB-CG 4.3Å; V255-L281 HydrophobicContact CG2-CD1 3.8Å; V255-L281 HydrophobicContact CG2-CD2 3.66Å; V255-L281 HydrophobicContact CG2-CG 3.54Å; A276-L281 HydrophobicContact CB-CD1 4.24Å; A276-L281 WeakPolarHBondContact O-CB 3.39Å; A276-L281 PolarHBondContact O-N 3.3Å; W277-L281 HydrophobicContact CD2-CD1 3.77Å; W277-L281 HydrophobicContact CE3-CB 4.09Å; W277-L281 HydrophobicContact CE3-CD1 3.99Å; W277-L281 HydrophobicContact CG-CD1 4.19Å; W277-L281 HydrophobicContact CH2-CD1 4.36Å; W277-L281 HydrophobicContact CZ2-CD1 4.14Å; W277-L281 HydrophobicContact CZ3-CB 4.37Å; W277-L281 HydrophobicContact CZ3-CD1 4.29Å; L281-V300 HydrophobicContact CD1-CG2 3.74Å
282	L	96.3	Very high	78.5	Confident	42 Å²	42	78.8 Å²	78.8	22%	0.22	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-58.2	148.9	162.6	-71.1	178.1	0	0	0	110.3	R251 V252 A296 G298	R251-L282 HydrophobicContact CB-CD2 4.04Å; R251-L282 HydrophobicContact CB-CG 4.42Å; V252-L282 WeakPolarHBondContact O-CG 3.32Å; V252-L282 PolarHBondContact O-N 2.92Å; L282-A296 HydrophobicContact CD1-CB 3.82Å; L282-G298 WeakPolarHBondContact O-CA 3.2Å; L282-G298 PolarHBondContact O-N 2.69Å
283	P	87.9	Confident	76.1	Confident	76 Å²	76	87.2 Å²	87.2	49%	0.494	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.7	151.9	-176.1	25	-34.4	0	0	0	112.3	T297 G298	P283-T297 WeakPolarHBondContact O-CA 3.35Å; P283-G298 PolarHBondContact O-N 3.04Å
284	P	81.4	Confident	74	Confident	54 Å²	54	95.7 Å²	95.7	35%	0.351	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-67.3	159.9	177.2	28.5	-34.6	0	0	0	111.2	W277 R286	W277-P284 HydrophobicContact CH2-CB 4.36Å; W277-P284 HydrophobicContact CZ3-CB 3.93Å; W277-P284 HydrophobicContact CZ3-CG 4.45Å; P284-R286 PolarHBondContact O-N 3.46Å; P284-R286 VanDerWaalsContact O-N 3.11Å
285	K	72	Confident	72.3	Confident	178 Å²	178	98.3 Å²	98.3	77%	0.774	52%	0.521	S	S	*	.			trans	-64.1	111.3	179.2	-162.9	171	-176.3	175.1	0	110.4	T297	K285-T297 HydrophobicContact CB-CG2 3.79Å; K285-T297 HydrophobicContact CG-CG2 4.06Å
286	R	61.8	Low	71.1	Confident	233 Å²	233	100.2 Å²	100.2	88%	0.879	54%	0.543	S	S	*	.			trans	-70	134.5	171.8	-69.4	-175.5	177.2	-176.2	-0.6	109.4	P284	P284-R286 PolarHBondContact O-N 3.46Å; P284-R286 VanDerWaalsContact O-N 3.11Å
287	G	53.8	Low	70.6	Confident	73 Å²	73	101.6 Å²	101.6	75%	0.753	55%	0.551	S	S	*	*			trans	-51.4	150.4	-177.7	0	0	0	0	0	113.9	G289	G287-G289 PolarHBondContact O-N 3.1Å
288	Q	45	Very low	70.4	Confident	203 Å²	203	101.2 Å²	101.2	95%	0.949	55%	0.551	S	S	*	*			trans	-44.5	92.1	-171.8	-65.6	178	5.4	0	0	114.7
289	G	42.3	Very low	70.3	Confident	58 Å²	58	102.1 Å²	102.1	60%	0.598	55%	0.551	S	S	*	*			trans	-85.5	127.2	156.8	0	0	0	0	0	109	G287 F291	G287-G289 PolarHBondContact O-N 3.1Å; G289-F291 PolarHBondContact O-N 2.83Å
290	K	43.1	Very low	70.4	Confident	202 Å²	202	97.8 Å²	97.8	88%	0.878	53%	0.531	S	S	*	.	S	Bend	trans	-61.6	4.8	-172.3	-86.1	-177.1	174.6	178.3	0	116.9
291	F	51	Low	70.4	Confident	206 Å²	206	98.2 Å²	98.2	90%	0.904	53%	0.533	S	S	*	.	S	Bend	trans	-150.2	108.7	170.5	-72.9	-84.7	0	0	0	107.5	G289	G289-F291 PolarHBondContact O-N 2.83Å
292	G	43.5	Very low	70.5	Confident	68 Å²	68	98.2 Å²	98.2	70%	0.701	53%	0.533	S	S	*	.			trans	-164.4	125.4	176.5	0	0	0	0	0	109.9
293	E	45.8	Very low	70.5	Confident	187 Å²	187	97.4 Å²	97.4	87%	0.874	53%	0.533	S	S	*	.			trans	-49.9	148.8	170.1	-66.3	170.3	150.8	0	0	110.6	S295	E293-S295 PolarHBondContact O-N 2.64Å
294	D	52.2	Low	71	Confident	177 Å²	177	94 Å²	94	95%	0.947	51%	0.512	S	S	*	.			trans	-63.1	72.7	172.7	-76.5	-40.7	0	0	0	110.4	A296	D294-A296 PolarHBondContact O-N 2.81Å
295	S	60.4	Low	71.7	Confident	93 Å²	93	91.5 Å²	91.5	65%	0.65	50%	0.495	S	S	*	.			trans	-68.2	125.3	175.3	64.5	0	0	0	0	108.6	E293 T297	E293-S295 PolarHBondContact O-N 2.64Å; S295-T297 WeakPolarHBondContact O-CG2 3.36Å; S295-T297 PolarHBondContact O-N 3.24Å
296	A	72.3	Confident	72.9	Confident	71 Å²	71	83.4 Å²	83.4	59%	0.587	46%	0.462	S	S	*	.			trans	-57.6	130.4	175.5	0	0	0	0	0	110.8	L282 D294	L282-A296 HydrophobicContact CD1-CB 3.82Å; D294-A296 PolarHBondContact O-N 2.81Å
297	T	87.4	Confident	74.6	Confident	29 Å²	29	72.4 Å²	72.4	18%	0.178	42%	0.421	C	S	.	.			trans	-112.8	147.3	-177.8	62.3	0	0	0	0	111	P283 K285 S295	P283-T297 WeakPolarHBondContact O-CA 3.35Å; K285-T297 HydrophobicContact CB-CG2 3.79Å; K285-T297 HydrophobicContact CG-CG2 4.06Å; S295-T297 WeakPolarHBondContact O-CG2 3.36Å; S295-T297 PolarHBondContact O-N 3.24Å
298	G	93.3	Very high	76.7	Confident	4 Å²	4	70.9 Å²	70.9	4%	0.041	39%	0.393	C	S	.	.			trans	-67.2	155.5	172.1	0	0	0	0	0	112.2	L282 P283	L282-G298 WeakPolarHBondContact O-CA 3.2Å; L282-G298 PolarHBondContact O-N 2.69Å; P283-G298 PolarHBondContact O-N 3.04Å
299	R	95.6	Very high	79.1	Confident	97 Å²	97	61.2 Å²	61.2	37%	0.366	35%	0.348	S	S	.	.			trans	-144.2	155	171.9	-103	-178.4	-92.9	179.3	-4.2	110.2	S253 L254 V255 N383	S253-R299 PolarHBondContact O-N 3.23Å; S253-R299 VanDerWaalsContact O-N 3.17Å; L254-R299 CarbonylContact C-O 3.41Å; L254-R299 WeakPolarHBondContact CA-O 3.2Å; L254-R299 HydrophobicContact CD1-CB 4.04Å; V255-R299 PolarHBondContact N-O 3.1Å; R299-N383 WeakPolarHBondContact CA-OD1 3.37Å
300	V	98.1	Very high	81.7	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.3	175.1	-176.1	0	0	0	0	110	V255 L273 W277 L281 P302 A303 F382 N383	V255-V300 HydrophobicContact CB-CG2 4.45Å; V255-V300 HydrophobicContact CG1-CG1 4.5Å; V255-V300 CarbonylContact O-C 3.58Å; V255-V300 WeakPolarHBondContact O-CA 3.47Å; L273-V300 HydrophobicContact CD1-CG1 4.17Å; L273-V300 HydrophobicContact CD2-CG1 3.56Å; L273-V300 HydrophobicContact CD2-CG2 4.2Å; W277-V300 HydrophobicContact CZ2-CG2 3.71Å; L281-V300 HydrophobicContact CD1-CG2 3.74Å; V300-P302 CarbonylContact C-O 3.26Å; V300-P302 WeakPolarHBondContact CG1-O 3.47Å; V300-P302 CarbonylContact O-C 3.53Å; V300-A303 WeakPolarHBondContact O-CA 3.35Å; V300-F382 HydrophobicContact CG1-CB 4.26Å; V300-N383 PolarHBondContact N-OD1 2.77Å
301	I	98.4	Very high	84.3	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.9	163.9	-66.1	172	0	0	0	107.6	Y169 A172 I173 A176 L254 V255 V256 T257 L420	Y169-I301 HydrophobicContact CD1-CG2 4.25Å; Y169-I301 HydrophobicContact CE1-CG2 4.08Å; A172-I301 HydrophobicContact CB-CD1 4.2Å; A172-I301 HydrophobicContact CB-CG2 4.48Å; I173-I301 HydrophobicContact CG1-CD1 4.31Å; A176-I301 HydrophobicContact CB-CD1 4.01Å; L254-I301 HydrophobicContact CD1-CD1 4.02Å; L254-I301 HydrophobicContact CD1-CG1 4Å; L254-I301 HydrophobicContact CD2-CD1 4.26Å; V255-I301 PolarHBondContact O-N 3.3Å; V256-I301 CarbonylContact C-O 3.52Å; V256-I301 VanDerWaalsContact CA-O 3.31Å; V256-I301 WeakPolarHBondContact CA-O 3.49Å; V256-I301 HydrophobicContact CG1-CB 4.44Å; V256-I301 HydrophobicContact CG1-CG2 4.41Å; V256-I301 HydrophobicContact CG2-CB 4.38Å; T257-I301 PolarHBondContact N-O 3.47Å; I301-L420 HydrophobicContact CG2-CB 4.28Å; I301-L420 HydrophobicContact CG2-CD2 4.31Å
302	P	98.3	Very high	86.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	S	Bend	cis	-63	149.4	-1.2	26.4	-34.7	0	0	0	113.3	T257 V300 F382 L418 H419 L420	T257-P302 VanDerWaalsContact O-CD 3.24Å; T257-P302 WeakPolarHBondContact O-CD 3.31Å; V300-P302 CarbonylContact C-O 3.26Å; V300-P302 WeakPolarHBondContact CG1-O 3.47Å; V300-P302 CarbonylContact O-C 3.53Å; P302-F382 HydrophobicContact CB-CD2 4.21Å; P302-F382 HydrophobicContact CB-CE2 4.37Å; P302-F382 HydrophobicContact CG-CD2 3.86Å; P302-F382 HydrophobicContact CG-CE2 3.85Å; P302-F382 WeakPolarHBondContact O-CD2 3.43Å; P302-L418 HydrophobicContact CB-CB 4.34Å; P302-L418 HydrophobicContact CB-CD2 4.32Å; P302-L418 HydrophobicContact CG-CD2 4.17Å; P302-H419 CarbonylContact C-O 3.21Å; P302-L420 HydrophobicContact CB-CD2 4.02Å
303	A	97.5	Very high	89	Confident	26 Å²	26	38 Å²	38	22%	0.215	21%	0.212	C	C	.	.			trans	-74.3	-28.8	178.5	0	0	0	0	0	113	V300 F382 N383 H419	V300-A303 WeakPolarHBondContact O-CA 3.35Å; A303-F382 WeakPolarHBondContact O-CB 3.45Å; A303-F382 PolarHBondContact O-N 3.15Å; A303-N383 VanDerWaalsContact CA-ND2 3.35Å; A303-N383 WeakPolarHBondContact CA-ND2 3.42Å; A303-N383 PolarHBondContact O-ND2 2.76Å; A303-N383 VanDerWaalsContact O-ND2 3.16Å; A303-H419 WeakPolarHBondContact CA-O 3.37Å; A303-H419 PolarHBondContact N-O 3.11Å
304	G	97.4	Very high	91.4	Very high	5 Å²	5	29.3 Å²	29.3	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-176.9	178.3	0	0	0	0	0	111.8	I380 F382 H419	G304-I380 CarbonylContact C-O 3.58Å; G304-I380 WeakPolarHBondContact CA-O 3.43Å; G304-F382 VanDerWaalsContact CA-CD2 3.44Å; G304-H419 PolarHBondContact N-O 3.07Å; G304-H419 PolarHBondContact O-N 3.35Å
305	A	97.6	Very high	93.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.5	177.3	0	0	0	0	0	112.8	L264 T379 I380 F382 Q417 L418	L264-A305 HydrophobicContact CD1-CB 4.21Å; L264-A305 HydrophobicContact CD2-CB 3.61Å; A305-T379 WeakPolarHBondContact O-CA 3.3Å; A305-I380 HydrophobicContact CB-CG2 3.73Å; A305-I380 PolarHBondContact N-O 3.21Å; A305-I380 PolarHBondContact O-N 3.14Å; A305-F382 HydrophobicContact CB-CE2 4.06Å; A305-F382 HydrophobicContact CB-CZ 4.21Å; A305-Q417 CarbonylContact C-O 3.57Å; A305-Q417 VanDerWaalsContact CA-O 3.26Å; A305-Q417 WeakPolarHBondContact CA-O 3.46Å; A305-L418 HydrophobicContact CB-CD2 3.85Å
306	A	97.3	Very high	95	Very high	9 Å²	9	21.3 Å²	21.3	7%	0.074	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.6	167.2	0	0	0	0	0	109.3	F308 F416 Q417	A306-F308 HydrophobicContact CB-CE2 3.98Å; A306-F308 HydrophobicContact CB-CZ 3.99Å; A306-F308 WeakPolarHBondContact O-CE2 3.49Å; A306-F416 CarbonylContact O-C 3.51Å; A306-F416 WeakPolarHBondContact O-CA 3.23Å; A306-F416 WeakPolarHBondContact O-CB 3.34Å; A306-Q417 PolarHBondContact N-O 3.34Å; A306-Q417 PolarHBondContact O-N 2.82Å
307	V	96.8	Very high	96.1	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.1	179.3	-177.3	0	0	0	0	109.2	L264 T376 A377 L378 V414 F416 L468	L264-V307 HydrophobicContact CD2-CG2 3.74Å; V307-T376 CarbonylContact O-C 3.56Å; V307-T376 WeakPolarHBondContact O-CA 3.33Å; V307-A377 HydrophobicContact CG1-CB 4.34Å; V307-A377 PolarHBondContact O-N 2.95Å; V307-L378 HydrophobicContact CB-CB 4.09Å; V307-L378 HydrophobicContact CG2-CB 4.18Å; V307-L378 PolarHBondContact N-O 3.3Å; V307-L378 PolarHBondContact O-N 2.86Å; V307-V414 HydrophobicContact CG1-CG1 3.59Å; V307-F416 HydrophobicContact CG2-CB 4.27Å; V307-L468 HydrophobicContact CG1-CD2 3.67Å
308	F	96.9	Very high	96.4	Very high	41 Å²	41	18.2 Å²	18.2	18%	0.18	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.7	-179.8	-57.2	-87.8	0	0	0	110.6	A306 F375 V414 W415 Q417	A306-F308 HydrophobicContact CB-CE2 3.98Å; A306-F308 HydrophobicContact CB-CZ 3.99Å; A306-F308 WeakPolarHBondContact O-CE2 3.49Å; F308-F375 CarbonylContact C-O 3.54Å; F308-F375 WeakPolarHBondContact CA-O 3.33Å; F308-V414 VanDerWaalsContact O-CA 3.29Å; F308-V414 WeakPolarHBondContact O-CA 3.34Å; F308-V414 WeakPolarHBondContact O-CG1 3.22Å; F308-W415 HydrophobicContact CB-CD2 3.96Å; F308-W415 HydrophobicContact CB-CG 4.35Å; F308-W415 HydrophobicContact CB-CH2 4.38Å; F308-W415 HydrophobicContact CB-CZ2 3.77Å; F308-W415 AromaticContact CD2-CD1 3.89Å; F308-W415 AromaticContact CD2-NE1 3.63Å; F308-W415 HydrophobicContact CG-CZ2 4.47Å; F308-W415 AromaticContact CG-NE1 3.79Å; F308-W415 PolarHBondContact N-O 3.06Å; F308-W415 PolarHBondContact O-N 3.29Å; F308-Q417 HydrophobicContact CE2-CB 3.88Å
309	C	96.1	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.7	173.1	69.5	0	0	0	0	111.7	P374 F375 A377 A413 V414 L470	C309-P374 WeakPolarHBondContact O-CA 3.41Å; C309-F375 PolarHBondContact N-O 3.5Å; C309-F375 PolarHBondContact O-N 2.91Å; C309-A377 HydrophobicContact CB-CB 4.45Å; C309-A413 CarbonylContact C-O 3.58Å; C309-A413 VanDerWaalsContact CA-O 3.3Å; C309-A413 WeakPolarHBondContact CA-O 3.47Å; C309-V414 HydrophobicContact CB-CG2 3.91Å; C309-L470 HydrophobicContact CB-CD2 3.71Å
310	M	96.6	Very high	96.3	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.044	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	132.6	178.7	178.1	175.1	62.8	0	0	109.9	V312 Y368 A370 T372 P374 L412 A413 W415	M310-V312 HydrophobicContact CE-CG1 3.74Å; M310-V312 HydrophobicContact CG-CG1 4.21Å; M310-Y368 HydrophobicContact CE-CD2 4.36Å; M310-Y368 HydrophobicContact CE-CE2 3.57Å; M310-A370 HydrophobicContact CE-CB 4.45Å; M310-A370 HydrophobicContact CG-CB 4.3Å; M310-A370 HydrophobicContact SD-CB 3.52Å; M310-A370 VanDerWaalsContact SD-CB 3.52Å; M310-T372 WeakPolarHBondContact CG-O 3.48Å; M310-P374 HydrophobicContact SD-CG 4.46Å; M310-L412 WeakPolarHBondContact O-CA 3.47Å; M310-A413 PolarHBondContact N-O 3.41Å; M310-A413 PolarHBondContact O-N 2.87Å; M310-W415 HydrophobicContact CB-CH2 3.87Å; M310-W415 HydrophobicContact CB-CZ3 3.78Å; M310-W415 HydrophobicContact CE-CH2 4.28Å; M310-W415 HydrophobicContact CE-CZ3 4.14Å; M310-W415 HydrophobicContact SD-CH2 4.44Å
311	A	97	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.4	172	0	0	0	0	0	110.4	L371 T372 L409 L412 L457	A311-L371 HydrophobicContact CB-CB 4.26Å; A311-L371 PolarHBondContact O-N 3.09Å; A311-T372 HydrophobicContact CB-CG2 3.8Å; A311-T372 PolarHBondContact N-OG1 3.48Å; A311-L409 HydrophobicContact CB-CD1 3.91Å; A311-L412 HydrophobicContact CB-CD2 4Å; A311-L457 HydrophobicContact CB-CD2 3.74Å
312	V	97.1	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148	-175.9	-61.6	0	0	0	0	112.4	M310 I317 Y368 R369 D410 A411 A413	M310-V312 HydrophobicContact CE-CG1 3.74Å; M310-V312 HydrophobicContact CG-CG1 4.21Å; V312-I317 HydrophobicContact CG2-CD1 4.48Å; V312-Y368 HydrophobicContact CB-CD2 4.34Å; V312-Y368 HydrophobicContact CG1-CD2 3.8Å; V312-Y368 HydrophobicContact CG1-CE2 4.31Å; V312-R369 WeakPolarHBondContact CA-O 3.39Å; V312-D410 PolarHBondContact O-N 2.91Å; V312-A411 HydrophobicContact CG2-CB 4.06Å; V312-A411 PolarHBondContact N-O 2.78Å; V312-A411 PolarHBondContact O-N 3.41Å; V312-A413 HydrophobicContact CG1-CB 4.02Å; V312-A413 HydrophobicContact CG2-CB 4.4Å
313	E	97.2	Very high	95.1	Very high	39 Å²	39	18.1 Å²	18.1	18%	0.182	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.4	158.7	-178.4	178.6	155.5	0	0	108.8	Y368 R369 L371 G407 E408 D410	E313-Y368 CarbonylContact O-C 3.56Å; E313-Y368 VanDerWaalsContact O-CA 3.31Å; E313-Y368 WeakPolarHBondContact O-CA 3.33Å; E313-R369 HydrophobicContact CB-CB 4.29Å; E313-R369 PolarHBondContact N-O 3.32Å; E313-R369 PolarHBondContact O-N 3.32Å; E313-R369 IonicContact OE1-CZ 3.06Å; E313-R369 IonicContact OE1-NH2 3.48Å; E313-R369 PolarHBondContact OE1-NH2 3Å; E313-R369 IonicContact OE2-CZ 3.6Å; E313-R369 IonicContact OE2-NE 3.76Å; E313-R369 PolarHBondContact OE2-NE 3.04Å; E313-R369 IonicContact OE2-NH2 3.84Å; E313-R369 PolarHBondContact OE2-NH2 3.5Å; E313-L371 HydrophobicContact CB-CD1 4.27Å; E313-L371 HydrophobicContact CB-CD2 4.13Å; E313-L371 HydrophobicContact CB-CG 4.37Å; E313-G407 WeakPolarHBondContact OE2-CA 3.39Å; E313-E408 VanDerWaalsContact CA-O 3.3Å; E313-E408 WeakPolarHBondContact CA-O 3.26Å; E313-E408 WeakPolarHBondContact CB-O 3.26Å; E313-E408 HydrophobicContact CG-CB 4.2Å; E313-E408 VanDerWaalsContact CG-O 3.32Å; E313-E408 WeakPolarHBondContact CG-O 3.49Å; E313-E408 PolarHBondContact OE2-N 3.15Å; E313-D410 WeakPolarHBondContact CA-OD2 3.28Å; E313-D410 WeakPolarHBondContact CG-OD2 3.31Å
314	C	95.8	Very high	94.8	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.02	10%	0.102	C	C	.	.			trans	-156.2	112.2	177.5	-175.3	0	0	0	0	110.2	E316 I317 R318 G367 D410	C314-E316 PolarHBondContact O-N 3Å; C314-I317 HydrophobicContact CB-CB 4.15Å; C314-I317 HydrophobicContact CB-CD1 3.85Å; C314-I317 HydrophobicContact CB-CG1 4.07Å; C314-I317 PolarHBondContact O-N 3.1Å; C314-R318 WeakPolarHBondContact O-CB 3.08Å; C314-R318 PolarHBondContact O-N 3.48Å; C314-G367 PolarHBondContact SG-O 2.88Å; C314-D410 PolarHBondContact N-OD2 3.27Å
315	L	93.8	Very high	94.4	Very high	90 Å²	90	21 Å²	21	47%	0.471	11%	0.111	S	C	.	.	H	α-helix	trans	-61.4	-34.1	177.8	-179.8	61.9	0	0	0	112.3	R318 R319	L315-R318 PolarHBondContact O-N 2.91Å; L315-R319 WeakPolarHBondContact O-CG 3.47Å; L315-R319 PolarHBondContact O-N 2.97Å
316	E	94.7	Very high	94.1	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-46.8	178.7	-172.9	67.4	-173.1	0	0	111.3	C314 R319 H320 L364 P365 K804	C314-E316 PolarHBondContact O-N 3Å; E316-R319 VanDerWaalsContact CD-NH2 3.28Å; E316-R319 WeakPolarHBondContact O-CG 3.33Å; E316-R319 IonicContact OE1-CZ 3.92Å; E316-R319 IonicContact OE1-NE 3.8Å; E316-R319 IonicContact OE1-NH2 2.88Å; E316-R319 PolarHBondContact OE1-NH2 3.33Å; E316-R319 IonicContact OE2-CZ 2.66Å; E316-R319 IonicContact OE2-NE 3.75Å; E316-R319 PolarHBondContact OE2-NE 3.19Å; E316-R319 IonicContact OE2-NH2 3.81Å; E316-R319 PolarHBondContact OE2-NH2 3.11Å; E316-R319 VanDerWaalsContact OE2-NH2 3.12Å; E316-H320 PolarHBondContact O-ND1 2.8Å; E316-H320 IonicContact OE1-CE1 2.81Å; E316-H320 PolarHBondContact OE1-CE1 3.26Å; E316-L364 HydrophobicContact CG-CD2 4.09Å; E316-P365 HydrophobicContact CG-CB 4.44Å; E316-P365 HydrophobicContact CG-CG 4.38Å; E316-K804 IonicContact OE1-NZ 3.84Å
317	I	94.7	Very high	93.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-48.1	174	-64.3	169.9	0	0	0	109.4	V312 C314 R319 H320 H321 L361 L364 A411 I440	V312-I317 HydrophobicContact CG2-CD1 4.48Å; C314-I317 HydrophobicContact CB-CB 4.15Å; C314-I317 HydrophobicContact CB-CD1 3.85Å; C314-I317 HydrophobicContact CB-CG1 4.07Å; C314-I317 PolarHBondContact O-N 3.1Å; I317-R319 VanDerWaalsContact C-N 3.33Å; I317-R319 PolarHBondContact O-N 3.27Å; I317-H320 PolarHBondContact O-N 2.74Å; I317-H320 VanDerWaalsContact O-N 3.11Å; I317-H321 PolarHBondContact O-CD2 3.34Å; I317-H321 PolarHBondContact O-N 2.94Å; I317-L361 HydrophobicContact CD1-CD2 4.47Å; I317-L364 HydrophobicContact CD1-CD1 4.04Å; I317-L364 HydrophobicContact CG1-CD1 4.26Å; I317-A411 HydrophobicContact CD1-CB 4.42Å; I317-A411 HydrophobicContact CG2-CB 3.95Å; I317-I440 HydrophobicContact CD1-CD1 4.26Å; I317-I440 HydrophobicContact CD1-CG1 4.4Å; I317-I440 HydrophobicContact CD1-CG2 3.8Å; I317-I440 HydrophobicContact CG1-CG2 4.28Å; I317-I440 HydrophobicContact CG2-CG2 3.8Å
318	R	93.4	Very high	93.8	Very high	35 Å²	35	28 Å²	28	13%	0.132	16%	0.158	C	C	.	.	H	α-helix	trans	-52.7	-48.4	-178.7	-170.1	-170.1	-52.2	176.3	1	112.7	C314 L315 H320 H321 R322 E408 D410	C314-R318 WeakPolarHBondContact O-CB 3.08Å; C314-R318 PolarHBondContact O-N 3.48Å; L315-R318 PolarHBondContact O-N 2.91Å; R318-H320 PolarHBondContact O-N 3.31Å; R318-H321 PolarHBondContact O-N 3.13Å; R318-H321 VanDerWaalsContact O-N 3.12Å; R318-R322 HydrophobicContact CG-CB 4.43Å; R318-R322 PolarHBondContact O-N 3.14Å; R318-E408 IonicContact CZ-OE1 3.92Å; R318-E408 VanDerWaalsContact CZ-OE1 3.26Å; R318-E408 IonicContact CZ-OE2 3.87Å; R318-E408 IonicContact NE-OE1 3.46Å; R318-E408 IonicContact NH1-OE1 3.32Å; R318-E408 PolarHBondContact NH1-OE1 3.11Å; R318-E408 IonicContact NH1-OE2 3.94Å; R318-E408 PolarHBondContact NH1-OE2 3.42Å; R318-E408 IonicContact NH2-OE1 2.72Å; R318-E408 IonicContact NH2-OE2 2.66Å; R318-E408 PolarHBondContact NH2-OE2 2.96Å; R318-D410 WeakPolarHBondContact CB-OD1 3.18Å; R318-D410 WeakPolarHBondContact CG-OD1 3.47Å; R318-D410 IonicContact CZ-OD1 3.82Å; R318-D410 IonicContact CZ-OD2 2.99Å; R318-D410 IonicContact NE-OD1 3.25Å; R318-D410 PolarHBondContact NE-OD1 2.81Å; R318-D410 IonicContact NE-OD2 2.93Å; R318-D410 PolarHBondContact NE-OD2 3.31Å; R318-D410 IonicContact NH2-OD1 2.85Å; R318-D410 PolarHBondContact NH2-OD1 3.34Å; R318-D410 IonicContact NH2-OD2 3.24Å; R318-D410 PolarHBondContact NH2-OD2 3.42Å
319	R	93.1	Very high	93.5	Very high	16 Å²	16	26.2 Å²	26.2	6%	0.06	15%	0.151	C	C	.	.	H	α-helix	trans	-69.1	-16.1	-174.7	74.1	177.5	-174.2	105	-2.2	113.9	L315 E316 I317 M531 A532 N535 N800 S801	L315-R319 WeakPolarHBondContact O-CG 3.47Å; L315-R319 PolarHBondContact O-N 2.97Å; E316-R319 VanDerWaalsContact CD-NH2 3.28Å; E316-R319 WeakPolarHBondContact O-CG 3.33Å; E316-R319 IonicContact OE1-CZ 3.92Å; E316-R319 IonicContact OE1-NE 3.8Å; E316-R319 IonicContact OE1-NH2 2.88Å; E316-R319 PolarHBondContact OE1-NH2 3.33Å; E316-R319 IonicContact OE2-CZ 2.66Å; E316-R319 IonicContact OE2-NE 3.75Å; E316-R319 PolarHBondContact OE2-NE 3.19Å; E316-R319 IonicContact OE2-NH2 3.81Å; E316-R319 PolarHBondContact OE2-NH2 3.11Å; E316-R319 VanDerWaalsContact OE2-NH2 3.12Å; I317-R319 VanDerWaalsContact C-N 3.33Å; I317-R319 PolarHBondContact O-N 3.27Å; R319-M531 CarbonylContact O-C 3.55Å; R319-A532 WeakPolarHBondContact O-CA 2.92Å; R319-A532 PolarHBondContact O-N 3.19Å; R319-N535 WeakPolarHBondContact CA-ND2 3.49Å; R319-N535 HydrophobicContact CB-CB 4.07Å; R319-N535 PolarHBondContact O-ND2 3.37Å; R319-N800 PolarHBondContact NH1-O 3.05Å; R319-S801 PolarHBondContact NH1-O 2.85Å; R319-S801 PolarHBondContact NH2-O 3.25Å
320	H	93.6	Very high	93.3	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-91.1	-17.9	174.5	-70	89.8	0	0	0	112.9	E316 I317 R318 C528 M531	E316-H320 PolarHBondContact O-ND1 2.8Å; E316-H320 IonicContact OE1-CE1 2.81Å; E316-H320 PolarHBondContact OE1-CE1 3.26Å; I317-H320 PolarHBondContact O-N 2.74Å; I317-H320 VanDerWaalsContact O-N 3.11Å; R318-H320 PolarHBondContact O-N 3.31Å; H320-C528 HydrophobicContact CB-CB 4.22Å; H320-C528 WeakPolarHBondContact O-CA 3.42Å; H320-M531 VanDerWaalsContact O-CB 3.3Å; H320-M531 WeakPolarHBondContact O-CB 3.32Å; H320-M531 WeakPolarHBondContact O-CG 2.96Å
321	H	91.6	Very high	93.2	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-116.7	-17	-175.5	-64.4	-69.3	0	0	0	114.7	I317 R318 S341 P442 C528	I317-H321 PolarHBondContact O-CD2 3.34Å; I317-H321 PolarHBondContact O-N 2.94Å; R318-H321 PolarHBondContact O-N 3.13Å; R318-H321 VanDerWaalsContact O-N 3.12Å; H321-S341 WeakPolarHBondContact ND1-CB 3.42Å; H321-S341 PolarHBondContact ND1-OG 2.79Å; H321-P442 HydrophobicContact CB-CB 3.75Å; H321-P442 HydrophobicContact CB-CG 4.34Å; H321-P442 VanDerWaalsContact CG-CB 3.46Å; H321-C528 VanDerWaalsContact CE1-SG 3.56Å
322	R	89.4	Confident	93.1	Very high	16 Å²	16	29.6 Å²	29.6	6%	0.06	18%	0.182	C	C	.	.	S	Bend	trans	-142.5	147	-176.5	-65.8	-168.2	-72.9	-170	-4.2	112.7	R318 C324 L409 D410 V443 S445 M531 N535	R318-R322 HydrophobicContact CG-CB 4.43Å; R318-R322 PolarHBondContact O-N 3.14Å; R322-C324 PolarHBondContact O-N 3.47Å; R322-C324 PolarHBondContact O-SG 3.39Å; R322-L409 PolarHBondContact NH2-O 3.23Å; R322-D410 IonicContact CZ-OD1 3.03Å; R322-D410 IonicContact NH2-OD1 2.71Å; R322-D410 PolarHBondContact NH2-OD1 3.1Å; R322-V443 WeakPolarHBondContact CD-O 3.26Å; R322-V443 PolarHBondContact NE-O 3.1Å; R322-S445 VanDerWaalsContact CD-O 3.32Å; R322-S445 WeakPolarHBondContact CD-O 3.49Å; R322-S445 PolarHBondContact NH1-O 3.2Å; R322-M531 VanDerWaalsContact C-SD 3.52Å; R322-N535 PolarHBondContact O-ND2 2.87Å
323	L	90.4	Very high	93	Very high	53 Å²	53	30 Å²	30	28%	0.277	18%	0.184	S	C	.	.			trans	-71	121.4	169	-177.2	66.7	0	0	0	109.8	A325 V328 M333 M531 L534	L323-A325 WeakPolarHBondContact CD2-O 3.41Å; L323-A325 WeakPolarHBondContact CG-O 3.23Å; L323-V328 HydrophobicContact CD1-CG2 4.14Å; L323-M333 HydrophobicContact CD2-CB 3.65Å; L323-M333 HydrophobicContact CD2-CE 4.32Å; L323-M333 HydrophobicContact CD2-CG 4Å; L323-M531 HydrophobicContact CB-SD 4.39Å; L323-L534 HydrophobicContact CD1-CB 4.14Å
324	C	90.4	Very high	92.7	Very high	62 Å²	62	32.5 Å²	32.5	42%	0.419	21%	0.212	S	C	.	.			trans	-96.5	-5.5	-174.2	-63.2	0	0	0	0	113.5	R322 N535	R322-C324 PolarHBondContact O-N 3.47Å; R322-C324 PolarHBondContact O-SG 3.39Å; C324-N535 WeakPolarHBondContact CB-OD1 3.2Å; C324-N535 PolarHBondContact N-OD1 3.28Å
325	A	88.7	Confident	92.5	Very high	29 Å²	29	33.8 Å²	33.8	24%	0.24	22%	0.222	C	C	.	.			trans	-133.2	141.7	-175	0	0	0	0	0	112.1	L323 D327 Q537	L323-A325 WeakPolarHBondContact CD2-O 3.41Å; L323-A325 WeakPolarHBondContact CG-O 3.23Å; A325-D327 VanDerWaalsContact C-N 3.32Å; A325-D327 WeakPolarHBondContact CB-O 3.47Å; A325-Q537 VanDerWaalsContact CB-NE2 3.27Å
326	A	90.8	Very high	92.3	Very high	73 Å²	73	29.6 Å²	29.6	60%	0.603	20%	0.2	S	C	*	.	S	Bend	trans	-74.4	-24.5	175.3	0	0	0	0	0	112.9	M333	A326-M333 WeakPolarHBondContact O-CB 3.35Å; A326-M333 PolarHBondContact O-N 2.82Å
327	D	94	Very high	91.9	Very high	85 Å²	85	31.1 Å²	31.1	46%	0.455	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.8	179.5	-62.5	-84.1	0	0	0	110.3	A325 L331 S332 Q537	A325-D327 VanDerWaalsContact C-N 3.32Å; A325-D327 WeakPolarHBondContact CB-O 3.47Å; D327-L331 CarbonylContact C-O 3.57Å; D327-L331 WeakPolarHBondContact CA-O 3.35Å; D327-S332 VanDerWaalsContact OD1-CA 3.24Å; D327-S332 WeakPolarHBondContact OD1-CA 3.43Å; D327-S332 PolarHBondContact OD1-N 3.23Å; D327-Q537 PolarHBondContact O-NE2 3.36Å
328	V	94.6	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.8	179.1	-179.4	0	0	0	0	109.1	L323 G330 L331 M333 L534 H540 L587	L323-V328 HydrophobicContact CD1-CG2 4.14Å; V328-G330 PolarHBondContact O-N 2.76Å; V328-G330 VanDerWaalsContact O-N 3.15Å; V328-L331 PolarHBondContact N-O 3.12Å; V328-L331 VanDerWaalsContact O-CB 3.32Å; V328-L331 WeakPolarHBondContact O-CB 3.49Å; V328-L331 PolarHBondContact O-N 2.91Å; V328-M333 HydrophobicContact CB-CG 4.17Å; V328-M333 HydrophobicContact CB-SD 4.15Å; V328-M333 HydrophobicContact CG2-CG 3.71Å; V328-M333 HydrophobicContact CG2-SD 4.17Å; V328-L534 WeakPolarHBondContact CG1-O 3.39Å; V328-H540 HydrophobicContact CG1-CB 4.19Å; V328-H540 WeakPolarHBondContact CG1-ND1 3.47Å; V328-L587 HydrophobicContact CB-CD1 3.94Å; V328-L587 HydrophobicContact CG1-CD1 3.72Å
329	G	91.3	Very high	91.1	Very high	4 Å²	4	33 Å²	33	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	27.8	-179	0	0	0	0	0	114.1	L331	G329-L331 VanDerWaalsContact C-N 3.32Å
330	G	91.4	Very high	90.7	Very high	40 Å²	40	35.4 Å²	35.4	41%	0.412	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	2.7	-174.6	0	0	0	0	0	115.1	V328 R594	V328-G330 PolarHBondContact O-N 2.76Å; V328-G330 VanDerWaalsContact O-N 3.15Å; G330-R594 PolarHBondContact O-NH1 2.89Å; G330-R594 PolarHBondContact O-NH2 3.02Å
331	L	94.7	Very high	90.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.6	174.7	-58.5	168.9	0	0	0	110.5	D327 V328 G329 L587 L590 I591 R594 N620	D327-L331 CarbonylContact C-O 3.57Å; D327-L331 WeakPolarHBondContact CA-O 3.35Å; V328-L331 PolarHBondContact N-O 3.12Å; V328-L331 VanDerWaalsContact O-CB 3.32Å; V328-L331 WeakPolarHBondContact O-CB 3.49Å; V328-L331 PolarHBondContact O-N 2.91Å; G329-L331 VanDerWaalsContact C-N 3.32Å; L331-L587 HydrophobicContact CD1-CB 4.24Å; L331-L587 HydrophobicContact CD1-CD1 4.49Å; L331-L590 HydrophobicContact CD1-CB 4.03Å; L331-L590 HydrophobicContact CD1-CD2 3.82Å; L331-L590 HydrophobicContact CD1-CG 3.75Å; L331-L590 HydrophobicContact CD2-CD2 4.22Å; L331-L590 HydrophobicContact CD2-CG 3.93Å; L331-I591 HydrophobicContact CD1-CG1 3.63Å; L331-I591 HydrophobicContact CG-CG1 4.19Å; L331-R594 HydrophobicContact CD2-CB 4.35Å; L331-N620 WeakPolarHBondContact CA-OD1 3.29Å; L331-N620 HydrophobicContact CD2-CB 3.93Å
332	S	95.3	Very high	90	Very high	39 Å²	39	35.9 Å²	35.9	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.4	170.1	-174.4	0	0	0	0	110.2	D327 L616 N620	D327-S332 VanDerWaalsContact OD1-CA 3.24Å; D327-S332 WeakPolarHBondContact OD1-CA 3.43Å; D327-S332 PolarHBondContact OD1-N 3.23Å; S332-L616 WeakPolarHBondContact O-CD2 3.48Å; S332-N620 PolarHBondContact N-OD1 3.12Å; S332-N620 PolarHBondContact O-ND2 3.25Å
333	M	94	Very high	89.7	Confident	9 Å²	9	35.6 Å²	35.6	4%	0.044	25%	0.245	C	C	.	.			trans	-93.7	2.1	-178.2	-60.9	-57.6	-69.4	0	0	113.2	L323 A326 V328 A335 A336 L587 L616	L323-M333 HydrophobicContact CD2-CB 3.65Å; L323-M333 HydrophobicContact CD2-CE 4.32Å; L323-M333 HydrophobicContact CD2-CG 4Å; A326-M333 WeakPolarHBondContact O-CB 3.35Å; A326-M333 PolarHBondContact O-N 2.82Å; V328-M333 HydrophobicContact CB-CG 4.17Å; V328-M333 HydrophobicContact CB-SD 4.15Å; V328-M333 HydrophobicContact CG2-CG 3.71Å; V328-M333 HydrophobicContact CG2-SD 4.17Å; M333-A335 PolarHBondContact O-N 3.36Å; M333-A335 VanDerWaalsContact O-N 3.09Å; M333-A336 HydrophobicContact CE-CB 4.2Å; M333-A336 WeakPolarHBondContact O-CB 3.28Å; M333-A336 PolarHBondContact O-N 3.38Å; M333-L587 HydrophobicContact CE-CD1 4.04Å; M333-L587 HydrophobicContact SD-CD1 3.86Å; M333-L616 HydrophobicContact CE-CD1 3.87Å; M333-L616 HydrophobicContact CE-CD2 4.41Å; M333-L616 HydrophobicContact SD-CD1 4.16Å; M333-L616 HydrophobicContact SD-CD2 4.1Å
334	A	91	Very high	89.1	Confident	92 Å²	92	34.4 Å²	34.4	76%	0.76	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.5	-176.1	0	0	0	0	0	113.8
335	A	91.4	Very high	88.1	Confident	30 Å²	30	32.2 Å²	32.2	25%	0.248	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.7	178.2	0	0	0	0	0	114.2	M333 G337 R615 S619	M333-A335 PolarHBondContact O-N 3.36Å; M333-A335 VanDerWaalsContact O-N 3.09Å; A335-G337 PolarHBondContact O-N 3.49Å; A335-R615 HydrophobicContact CB-CB 4.5Å; A335-R615 WeakPolarHBondContact O-CB 3.4Å; A335-S619 VanDerWaalsContact CB-CB 3.47Å; A335-S619 WeakPolarHBondContact CB-OG 3.5Å
336	A	89.1	Confident	87.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	22%	0.221	C	C	.	.	S	Bend	trans	-61.7	-28.9	177.9	0	0	0	0	0	111.8	M333 L339 V612 R615 L616	M333-A336 HydrophobicContact CE-CB 4.2Å; M333-A336 WeakPolarHBondContact O-CB 3.28Å; M333-A336 PolarHBondContact O-N 3.38Å; A336-L339 HydrophobicContact CB-CD1 4.12Å; A336-L339 HydrophobicContact CB-CD2 4.44Å; A336-L339 HydrophobicContact CB-CG 4.25Å; A336-V612 HydrophobicContact CB-CG1 4.22Å; A336-R615 PolarHBondContact O-NH2 3.05Å; A336-L616 HydrophobicContact CB-CD1 4.45Å; A336-L616 HydrophobicContact CB-CD2 4.03Å; A336-L616 HydrophobicContact CB-CG 4.43Å
337	G	86.9	Confident	85.7	Confident	45 Å²	45	30 Å²	30	46%	0.464	20%	0.203	S	C	.	.			trans	78	-161.2	-165.4	0	0	0	0	0	110.4	A335	A335-G337 PolarHBondContact O-N 3.49Å
338	E	84.3	Confident	84.2	Confident	58 Å²	58	31.3 Å²	31.3	27%	0.271	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.1	177.4	-167.9	173.1	-175.9	0	0	110.4	R340 F523 C524	E338-R340 HydrophobicContact CG-CG 4.14Å; E338-R340 IonicContact OE1-CZ 3.05Å; E338-R340 IonicContact OE1-NE 3.19Å; E338-R340 PolarHBondContact OE1-NE 3.46Å; E338-R340 IonicContact OE1-NH2 3.61Å; E338-R340 PolarHBondContact OE1-NH2 2.84Å; E338-R340 IonicContact OE2-CZ 3.64Å; E338-R340 IonicContact OE2-NE 3.59Å; E338-R340 IonicContact OE2-NH2 3.01Å; E338-R340 PolarHBondContact OE2-NH2 2.97Å; E338-F523 HydrophobicContact CB-CB 3.86Å; E338-F523 HydrophobicContact CG-CB 4.18Å; E338-F523 CarbonylContact O-C 3.56Å; E338-F523 VanDerWaalsContact O-CA 3.23Å; E338-F523 WeakPolarHBondContact O-CA 3.33Å; E338-F523 WeakPolarHBondContact O-CB 3.34Å; E338-C524 PolarHBondContact O-N 2.89Å
339	L	88	Confident	82.4	Confident	17 Å²	17	37.9 Å²	37.9	9%	0.089	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.3	175	-57	-179.9	0	0	0	108.4	A336 C524 L526 M531 L534 V612	A336-L339 HydrophobicContact CB-CD1 4.12Å; A336-L339 HydrophobicContact CB-CD2 4.44Å; A336-L339 HydrophobicContact CB-CG 4.25Å; L339-C524 WeakPolarHBondContact CA-O 3.46Å; L339-C524 HydrophobicContact CD2-CB 3.84Å; L339-L526 HydrophobicContact CB-CD1 4.34Å; L339-L526 HydrophobicContact CD1-CD1 4.03Å; L339-L526 HydrophobicContact CD2-CD1 4.28Å; L339-L526 HydrophobicContact CG-CD1 4.45Å; L339-M531 HydrophobicContact CB-CE 3.87Å; L339-L534 HydrophobicContact CD1-CD1 3.9Å; L339-V612 HydrophobicContact CD2-CG1 4.33Å; L339-V612 HydrophobicContact CD2-CG2 4.39Å
340	R	83.3	Confident	80.9	Confident	67 Å²	67	40.3 Å²	40.3	25%	0.253	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.5	-177.9	-62.5	-173.8	179	175.5	1	111.1	E338 F523 C524 M525 L526	E338-R340 HydrophobicContact CG-CG 4.14Å; E338-R340 IonicContact OE1-CZ 3.05Å; E338-R340 IonicContact OE1-NE 3.19Å; E338-R340 PolarHBondContact OE1-NE 3.46Å; E338-R340 IonicContact OE1-NH2 3.61Å; E338-R340 PolarHBondContact OE1-NH2 2.84Å; E338-R340 IonicContact OE2-CZ 3.64Å; E338-R340 IonicContact OE2-NE 3.59Å; E338-R340 IonicContact OE2-NH2 3.01Å; E338-R340 PolarHBondContact OE2-NH2 2.97Å; R340-F523 HydrophobicContact CB-CD2 4.39Å; R340-F523 HydrophobicContact CG-CB 4.43Å; R340-F523 HydrophobicContact CG-CD2 4.3Å; R340-F523 HydrophobicContact CG-CG 4.46Å; R340-C524 PolarHBondContact N-O 3.46Å; R340-M525 CarbonylContact O-C 3.54Å; R340-M525 VanDerWaalsContact O-CA 3.3Å; R340-M525 WeakPolarHBondContact O-CA 3.4Å; R340-L526 PolarHBondContact O-N 3.43Å
341	S	87.5	Confident	79.2	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.014	27%	0.266	C	S	.	.			trans	-70.6	166.7	164.5	60.3	0	0	0	0	111.6	H321 V343 H444 L526	H321-S341 WeakPolarHBondContact ND1-CB 3.42Å; H321-S341 PolarHBondContact ND1-OG 2.79Å; S341-V343 PolarHBondContact O-N 3.38Å; S341-H444 PolarHBondContact OG-NE2 3.45Å; S341-L526 WeakPolarHBondContact CA-O 3.42Å
342	P	84.2	Confident	77.4	Confident	31 Å²	31	49.6 Å²	49.6	20%	0.201	30%	0.297	C	S	.	.	S	Bend	trans	-71.7	2.8	-179.7	-14.2	31.6	0	0	0	115.1	T353 L526 E527	P342-T353 WeakPolarHBondContact O-CB 3.35Å; P342-T353 WeakPolarHBondContact O-CG2 3.43Å; P342-L526 VanDerWaalsContact CD-O 3.29Å; P342-L526 WeakPolarHBondContact CD-O 3.2Å; P342-E527 WeakPolarHBondContact CG-OE2 3.35Å
343	V	83.3	Confident	76.1	Confident	11 Å²	11	48.7 Å²	48.7	7%	0.067	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-88.9	129.4	-178.4	-178.1	0	0	0	0	110.6	S341 E354 T357 P442 H444	S341-V343 PolarHBondContact O-N 3.38Å; V343-E354 CarbonylContact C-O 3.57Å; V343-E354 VanDerWaalsContact CA-O 3.27Å; V343-E354 WeakPolarHBondContact CA-O 2.98Å; V343-E354 WeakPolarHBondContact CG1-O 3.04Å; V343-T357 HydrophobicContact CG2-CG2 3.64Å; V343-P442 HydrophobicContact CB-CG 4.17Å; V343-P442 HydrophobicContact CG1-CG 3.93Å; V343-H444 PolarHBondContact O-CE1 3.14Å; V343-H444 PolarHBondContact O-NE2 3.17Å
344	S	76.9	Confident	75.3	Confident	27 Å²	27	54.8 Å²	54.8	19%	0.189	32%	0.318	C	S	.	.			trans	-117.4	108.9	177.3	-174.9	0	0	0	0	111.6	S346 T353 E354 R469	S344-S346 PolarHBondContact O-N 2.85Å; S344-T353 WeakPolarHBondContact CB-OG1 3.42Å; S344-E354 PolarHBondContact N-O 3.48Å; S344-R469 PolarHBondContact O-NH1 2.76Å
345	C	70.3	Confident	74.9	Confident	17 Å²	17	51 Å²	51	12%	0.115	29%	0.285	C	S	.	.			trans	-81.4	8.2	174.2	-58	0	0	0	0	112.4	P442 S471	C345-P442 PolarHBondContact SG-O 2.7Å; C345-S471 WeakPolarHBondContact O-CB 3.23Å
346	S	68.6	Low	74.9	Confident	20 Å²	20	50.2 Å²	50.2	14%	0.14	28%	0.276	C	S	.	.			trans	-62.4	141.2	-179.2	-176.1	0	0	0	0	111.2	S344 E348 R469	S344-S346 PolarHBondContact O-N 2.85Å; S346-E348 PolarHBondContact O-N 2.89Å; S346-E348 PolarHBondContact OG-N 2.76Å; S346-R469 WeakPolarHBondContact O-CD 3.48Å
347	P	59	Low	75.1	Confident	34 Å²	34	51.4 Å²	51.4	22%	0.221	28%	0.283	C	S	.	.	S	Bend	trans	-73	-7.9	173.1	31.4	-35.7	0	0	0	113.3	V396	P347-V396 HydrophobicContact CB-CG2 4.39Å
348	E	62.4	Low	75.4	Confident	114 Å²	114	52.2 Å²	52.2	53%	0.533	28%	0.279	S	S	.	.	S	Bend	trans	-84.7	145.7	177.9	-65.4	169.1	152.9	0	0	110.8	S346 D350 R487	S346-E348 PolarHBondContact O-N 2.89Å; S346-E348 PolarHBondContact OG-N 2.76Å; E348-D350 PolarHBondContact O-N 2.69Å; E348-R487 IonicContact OE1-NH1 3.3Å; E348-R487 IonicContact OE2-CZ 3.48Å; E348-R487 IonicContact OE2-NH1 2.74Å; E348-R487 PolarHBondContact OE2-NH1 3.36Å; E348-R487 IonicContact OE2-NH2 3.23Å; E348-R487 PolarHBondContact OE2-NH2 3.33Å
349	Q	56.8	Low	75.8	Confident	137 Å²	137	51.6 Å²	51.6	64%	0.64	28%	0.276	S	S	*	.			trans	-68.2	119.9	178.9	-174	-179.8	-4.3	0	0	109.8	D351 D465	Q349-D351 WeakPolarHBondContact CG-OD1 3.42Å; Q349-D351 PolarHBondContact NE2-OD1 3.01Å; Q349-D465 HydrophobicContact CG-CB 4.37Å
350	D	61.4	Low	75.9	Confident	55 Å²	55	52 Å²	52	29%	0.294	28%	0.277	S	S	.	.			trans	-132.3	104.7	167.4	179	10.9	0	0	0	107.6	E348 S352 T353	E348-D350 PolarHBondContact O-N 2.69Å; D350-S352 PolarHBondContact O-N 2.69Å; D350-S352 WeakPolarHBondContact OD1-CB 3.49Å; D350-S352 PolarHBondContact OD1-N 2.68Å; D350-S352 PolarHBondContact OD1-OG 3.24Å; D350-S352 PolarHBondContact OD2-OG 2.87Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.42Å; D350-T353 PolarHBondContact OD2-OG1 3.47Å
351	D	55.4	Low	76.3	Confident	143 Å²	143	49 Å²	49	77%	0.765	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-3.7	-179.9	-63.8	-19.8	0	0	0	112.1	Q349	Q349-D351 WeakPolarHBondContact CG-OD1 3.42Å; Q349-D351 PolarHBondContact NE2-OD1 3.01Å
352	S	56.4	Low	76.5	Confident	93 Å²	93	52 Å²	52	65%	0.65	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.8	-177	75.7	0	0	0	0	115.1	D350	D350-S352 PolarHBondContact O-N 2.69Å; D350-S352 WeakPolarHBondContact OD1-CB 3.49Å; D350-S352 PolarHBondContact OD1-N 2.68Å; D350-S352 PolarHBondContact OD1-OG 3.24Å; D350-S352 PolarHBondContact OD2-OG 2.87Å
353	T	67.6	Low	76.6	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.117	29%	0.286	C	S	.	.	S	Bend	trans	-135.6	138.1	-175.3	53	0	0	0	0	113.1	P342 S344 D350 M525	P342-T353 WeakPolarHBondContact O-CB 3.35Å; P342-T353 WeakPolarHBondContact O-CG2 3.43Å; S344-T353 WeakPolarHBondContact CB-OG1 3.42Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.42Å; D350-T353 PolarHBondContact OD2-OG1 3.47Å; T353-M525 HydrophobicContact CG2-CE 4.4Å; T353-M525 HydrophobicContact CG2-SD 4.3Å
354	E	76.6	Confident	77	Confident	138 Å²	138	52.7 Å²	52.7	65%	0.645	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-71.4	141.8	176.5	-70.5	-177	173	0	0	110.8	V343 S344	V343-E354 CarbonylContact C-O 3.57Å; V343-E354 VanDerWaalsContact CA-O 3.27Å; V343-E354 WeakPolarHBondContact CA-O 2.98Å; V343-E354 WeakPolarHBondContact CG1-O 3.04Å; S344-E354 PolarHBondContact N-O 3.48Å
355	P	84.1	Confident	77.6	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.071	28%	0.281	C	S	.	.	S	Bend	trans	-76	-21.9	-177.2	26.3	-32.2	0	0	0	114.3	Y441 Y467 R469	P355-Y441 HydrophobicContact CB-CE1 4.44Å; P355-Y441 VanDerWaalsContact O-CD1 3.24Å; P355-Y441 WeakPolarHBondContact O-CD1 3.41Å; P355-Y441 WeakPolarHBondContact O-CE1 3.37Å; P355-Y467 HydrophobicContact CG-CD1 4.04Å; P355-R469 HydrophobicContact CB-CG 4.23Å
356	Y	91.3	Very high	78.5	Confident	15 Å²	15	54.5 Å²	54.5	6%	0.059	31%	0.308	C	S	.	.			trans	-157	161.1	-177.8	47	-95.7	0	0	0	110.9	D261 G263 T358 A439 I440 Y441	D261-Y356 PolarHBondContact OD2-OH 3.47Å; G263-Y356 WeakPolarHBondContact CA-OH 3.48Å; Y356-T358 HydrophobicContact CD2-CG2 4.46Å; Y356-A439 HydrophobicContact CD1-CB 4.4Å; Y356-A439 HydrophobicContact CD2-CB 3.69Å; Y356-A439 HydrophobicContact CE2-CB 4.05Å; Y356-A439 HydrophobicContact CG-CB 3.89Å; Y356-I440 VanDerWaalsContact CA-O 3.25Å; Y356-I440 WeakPolarHBondContact CA-O 3.18Å; Y356-I440 WeakPolarHBondContact CB-O 3.1Å; Y356-Y441 AromaticContact CD1-CE1 3.63Å; Y356-Y441 HydrophobicContact CD1-CE1 3.63Å; Y356-Y441 HydrophobicContact CD1-CE2 4.05Å; Y356-Y441 AromaticContact CD1-CZ 3.35Å; Y356-Y441 WeakPolarHBondContact CD1-OH 3.41Å; Y356-Y441 WeakPolarHBondContact CE1-OH 3.46Å; Y356-Y441 HydrophobicContact CG-CE1 4.32Å; Y356-Y441 HydrophobicContact CG-CE2 4.32Å
357	T	92.8	Very high	79.7	Confident	25 Å²	25	55 Å²	55	15%	0.153	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	175.4	159	62.9	0	0	0	0	110.1	V343 A439 I440	V343-T357 HydrophobicContact CG2-CG2 3.64Å; T357-A439 CarbonylContact O-C 3.51Å; T357-A439 WeakPolarHBondContact O-CA 3.35Å; T357-I440 PolarHBondContact N-O 2.88Å; T357-I440 PolarHBondContact O-N 3.2Å
358	T	92.9	Very high	81.4	Confident	62 Å²	62	56.5 Å²	56.5	38%	0.38	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.7	170.6	65.7	0	0	0	0	110.3	A262 Y356 E437 Q438	A262-T358 HydrophobicContact CB-CG2 3.57Å; Y356-T358 HydrophobicContact CD2-CG2 4.46Å; T358-E437 WeakPolarHBondContact CB-OE2 3.5Å; T358-E437 PolarHBondContact OG1-OE2 2.79Å; T358-Q438 WeakPolarHBondContact CA-O 3.3Å
359	E	91.9	Very high	83	Confident	45 Å²	45	55.9 Å²	55.9	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144	176.1	-66.5	-67.2	171.9	0	0	110.3	L361 L364 Q438 I440	E359-L361 PolarHBondContact O-N 2.88Å; E359-L364 HydrophobicContact CB-CD2 4.17Å; E359-L364 HydrophobicContact CG-CD2 4.25Å; E359-L364 WeakPolarHBondContact OE2-CD2 3.45Å; E359-Q438 PolarHBondContact N-O 2.82Å; E359-Q438 PolarHBondContact O-N 3.43Å; E359-Q438 PolarHBondContact O-OE1 3.21Å; E359-I440 HydrophobicContact CB-CD1 4.17Å; E359-I440 HydrophobicContact CB-CG1 3.65Å; E359-I440 HydrophobicContact CG-CG1 3.63Å
360	R	91.3	Very high	85	Confident	26 Å²	26	50.7 Å²	50.7	10%	0.098	29%	0.292	C	S	.	.			trans	-85.6	91.5	167.6	-174.4	170.9	-67.8	-86.9	-7.2	109.5	S362 R363 L364 T434 C435 W436 E437	R360-S362 WeakPolarHBondContact CG-OG 3.43Å; R360-S362 PolarHBondContact O-N 3.32Å; R360-S362 VanDerWaalsContact O-N 3.1Å; R360-R363 HydrophobicContact CG-CB 4.19Å; R360-R363 HydrophobicContact CG-CG 4.11Å; R360-R363 CarbonylContact O-C 3.55Å; R360-R363 PolarHBondContact O-N 2.62Å; R360-L364 PolarHBondContact O-N 3.11Å; R360-T434 PolarHBondContact NH1-O 3Å; R360-T434 PolarHBondContact NH2-O 2.89Å; R360-T434 VanDerWaalsContact NH2-O 3.1Å; R360-C435 PolarHBondContact NH2-O 2.68Å; R360-W436 PolarHBondContact NH2-O 2.86Å; R360-E437 HydrophobicContact CB-CG 4.39Å
361	L	92.3	Very high	86.7	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-55.6	-33.3	-174.8	-68.9	176.2	0	0	0	113.6	I317 E359 R363 L364 Y368 A413 P430 Q438 I440	I317-L361 HydrophobicContact CD1-CD2 4.47Å; E359-L361 PolarHBondContact O-N 2.88Å; L361-R363 PolarHBondContact O-N 3.29Å; L361-L364 HydrophobicContact CD2-CD1 3.48Å; L361-L364 VanDerWaalsContact CD2-CD1 3.48Å; L361-Y368 HydrophobicContact CB-CD1 4.12Å; L361-Y368 HydrophobicContact CB-CE1 3.78Å; L361-Y368 HydrophobicContact CD2-CD1 4.35Å; L361-A413 HydrophobicContact CD1-CB 3.6Å; L361-P430 HydrophobicContact CB-CB 3.89Å; L361-P430 HydrophobicContact CD1-CB 4.04Å; L361-P430 HydrophobicContact CD1-CG 4.47Å; L361-Q438 HydrophobicContact CD1-CB 3.89Å; L361-Q438 HydrophobicContact CD1-CG 3.87Å; L361-Q438 HydrophobicContact CG-CB 4.11Å; L361-Q438 HydrophobicContact CG-CG 4.26Å; L361-I440 HydrophobicContact CD2-CD1 3.85Å; L361-I440 HydrophobicContact CG-CD1 4.33Å
362	S	89.9	Confident	88.7	Confident	65 Å²	65	41.3 Å²	41.3	46%	0.455	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-65.7	-17.9	176.8	56.8	0	0	0	0	114	R360	R360-S362 WeakPolarHBondContact CG-OG 3.43Å; R360-S362 PolarHBondContact O-N 3.32Å; R360-S362 VanDerWaalsContact O-N 3.1Å
363	R	88.1	Confident	90.6	Very high	48 Å²	48	42.2 Å²	42.2	18%	0.181	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-124.8	19.9	-177.2	-57.5	-170	-171.4	156	-2.8	113	R360 L361 P365 D433 T701 T738	R360-R363 HydrophobicContact CG-CB 4.19Å; R360-R363 HydrophobicContact CG-CG 4.11Å; R360-R363 CarbonylContact O-C 3.55Å; R360-R363 PolarHBondContact O-N 2.62Å; L361-R363 PolarHBondContact O-N 3.29Å; R363-P365 WeakPolarHBondContact O-CD 3.34Å; R363-D433 IonicContact NH2-OD1 3.29Å; R363-T701 VanDerWaalsContact NH1-CG2 3.3Å; R363-T738 WeakPolarHBondContact O-CB 3.44Å; R363-T738 VanDerWaalsContact O-CG2 3.24Å; R363-T738 WeakPolarHBondContact O-CG2 3.35Å; R363-T738 PolarHBondContact O-OG1 2.92Å
364	L	90.3	Very high	91.9	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	25%	0.248	C	C	.	.			trans	-70	130.3	176.3	-82.5	178	0	0	0	111.9	E316 I317 E359 R360 L361 G366 G367	E316-L364 HydrophobicContact CG-CD2 4.09Å; I317-L364 HydrophobicContact CD1-CD1 4.04Å; I317-L364 HydrophobicContact CG1-CD1 4.26Å; E359-L364 HydrophobicContact CB-CD2 4.17Å; E359-L364 HydrophobicContact CG-CD2 4.25Å; E359-L364 WeakPolarHBondContact OE2-CD2 3.45Å; R360-L364 PolarHBondContact O-N 3.11Å; L361-L364 HydrophobicContact CD2-CD1 3.48Å; L361-L364 VanDerWaalsContact CD2-CD1 3.48Å; L364-G366 PolarHBondContact O-N 3.19Å; L364-G367 PolarHBondContact O-N 2.81Å
365	P	89.6	Confident	92.7	Very high	15 Å²	15	40.2 Å²	40.2	10%	0.097	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	121.6	172	-28.6	33.9	0	0	0	112.6	E316 R363 G367 D735 T738	E316-P365 HydrophobicContact CG-CB 4.44Å; E316-P365 HydrophobicContact CG-CG 4.38Å; R363-P365 WeakPolarHBondContact O-CD 3.34Å; P365-G367 PolarHBondContact O-N 2.93Å; P365-D735 HydrophobicContact CG-CB 4.37Å; P365-T738 HydrophobicContact CB-CG2 4.29Å; P365-T738 HydrophobicContact CG-CG2 3.98Å
366	G	89.6	Confident	93.2	Very high	67 Å²	67	42.7 Å²	42.7	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-1.7	-177.3	0	0	0	0	0	115.4	L364	L364-G366 PolarHBondContact O-N 3.19Å
367	G	93	Very high	93.3	Very high	31 Å²	31	42 Å²	42	32%	0.32	24%	0.242	S	C	.	.			trans	68.8	-167.4	177.2	0	0	0	0	0	114.3	C314 L364 P365	C314-G367 PolarHBondContact SG-O 2.88Å; L364-G367 PolarHBondContact O-N 2.81Å; P365-G367 PolarHBondContact O-N 2.93Å
368	Y	95.6	Very high	93.3	Very high	64 Å²	64	41.4 Å²	41.4	25%	0.251	24%	0.237	S	C	.	.			trans	-138	159.4	176.6	70.5	-86.8	0	0	0	110.5	M310 V312 E313 L361	M310-Y368 HydrophobicContact CE-CD2 4.36Å; M310-Y368 HydrophobicContact CE-CE2 3.57Å; V312-Y368 HydrophobicContact CB-CD2 4.34Å; V312-Y368 HydrophobicContact CG1-CD2 3.8Å; V312-Y368 HydrophobicContact CG1-CE2 4.31Å; E313-Y368 CarbonylContact O-C 3.56Å; E313-Y368 VanDerWaalsContact O-CA 3.31Å; E313-Y368 WeakPolarHBondContact O-CA 3.33Å; L361-Y368 HydrophobicContact CB-CD1 4.12Å; L361-Y368 HydrophobicContact CB-CE1 3.78Å; L361-Y368 HydrophobicContact CD2-CD1 4.35Å
369	R	97	Very high	93.3	Very high	102 Å²	102	42.5 Å²	42.5	39%	0.385	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.8	171.5	166.3	170.4	51.7	179.1	-17.5	109.4	V312 E313 L371 E406	V312-R369 WeakPolarHBondContact CA-O 3.39Å; E313-R369 HydrophobicContact CB-CB 4.29Å; E313-R369 PolarHBondContact N-O 3.32Å; E313-R369 PolarHBondContact O-N 3.32Å; E313-R369 IonicContact OE1-CZ 3.06Å; E313-R369 IonicContact OE1-NH2 3.48Å; E313-R369 PolarHBondContact OE1-NH2 3Å; E313-R369 IonicContact OE2-CZ 3.6Å; E313-R369 IonicContact OE2-NE 3.76Å; E313-R369 PolarHBondContact OE2-NE 3.04Å; E313-R369 IonicContact OE2-NH2 3.84Å; E313-R369 PolarHBondContact OE2-NH2 3.5Å; R369-L371 HydrophobicContact CG-CD2 4.19Å; R369-L371 PolarHBondContact O-N 3.41Å; R369-E406 PolarHBondContact NH1-O 3.16Å
370	A	97.3	Very high	93.5	Very high	28 Å²	28	40.6 Å²	40.6	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.1	172.8	0	0	0	0	0	110.1	M310 Q405	M310-A370 HydrophobicContact CE-CB 4.45Å; M310-A370 HydrophobicContact CG-CB 4.3Å; M310-A370 HydrophobicContact SD-CB 3.52Å; M310-A370 VanDerWaalsContact SD-CB 3.52Å; A370-Q405 VanDerWaalsContact O-CD 3.31Å; A370-Q405 PolarHBondContact O-OE1 3.32Å
371	L	97.6	Very high	93.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-93.6	-22.3	178	-55.6	179.6	0	0	0	111.9	A311 E313 R369 V403 T404 Q405 L409 L451	A311-L371 HydrophobicContact CB-CB 4.26Å; A311-L371 PolarHBondContact O-N 3.09Å; E313-L371 HydrophobicContact CB-CD1 4.27Å; E313-L371 HydrophobicContact CB-CD2 4.13Å; E313-L371 HydrophobicContact CB-CG 4.37Å; R369-L371 HydrophobicContact CG-CD2 4.19Å; R369-L371 PolarHBondContact O-N 3.41Å; L371-V403 WeakPolarHBondContact O-CA 3.12Å; L371-T404 PolarHBondContact O-N 3.49Å; L371-T404 PolarHBondContact O-OG1 3.33Å; L371-Q405 PolarHBondContact O-N 3.3Å; L371-L409 HydrophobicContact CD1-CB 4.46Å; L371-L409 HydrophobicContact CD1-CD1 4.44Å; L371-L451 HydrophobicContact CB-CD1 4.27Å; L371-L451 HydrophobicContact CD1-CD1 3.88Å
372	T	97.4	Very high	93.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-130.2	161.1	175.7	68.8	0	0	0	0	109.2	M310 A311 L401 V403	M310-T372 WeakPolarHBondContact CG-O 3.48Å; A311-T372 HydrophobicContact CB-CG2 3.8Å; A311-T372 PolarHBondContact N-OG1 3.48Å; T372-L401 HydrophobicContact CG2-CB 4.07Å; T372-V403 HydrophobicContact CG2-CG2 4.48Å
373	E	95.9	Very high	94.1	Very high	112 Å²	112	41.3 Å²	41.3	52%	0.523	24%	0.236	S	C	.	.			trans	-65.5	166	161.3	-66.4	-57.8	139.1	0	0	110.6	F375 T404	E373-F375 HydrophobicContact CB-CE2 4.13Å; E373-F375 HydrophobicContact CB-CZ 4.35Å; E373-F375 WeakPolarHBondContact O-CD2 3.38Å; E373-F375 WeakPolarHBondContact O-CE2 3.44Å; E373-T404 HydrophobicContact CG-CG2 4.11Å
374	P	95.7	Very high	94.4	Very high	60 Å²	60	41.5 Å²	41.5	39%	0.39	24%	0.241	S	C	.	.			trans	-66.7	137.3	168.1	-22.7	34.9	0	0	0	112.5	C309 M310 W415	C309-P374 WeakPolarHBondContact O-CA 3.41Å; M310-P374 HydrophobicContact SD-CG 4.46Å; P374-W415 HydrophobicContact CB-CH2 3.68Å; P374-W415 HydrophobicContact CB-CZ2 3.64Å; P374-W415 HydrophobicContact CG-CH2 3.81Å; P374-W415 HydrophobicContact CG-CZ2 3.91Å
375	F	92.9	Very high	94.4	Very high	54 Å²	54	41.6 Å²	41.6	24%	0.237	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.3	176.5	-66.7	-94.2	0	0	0	111.7	F308 C309 E373 A377 M399 L401 P402	F308-F375 CarbonylContact C-O 3.54Å; F308-F375 WeakPolarHBondContact CA-O 3.33Å; C309-F375 PolarHBondContact N-O 3.5Å; C309-F375 PolarHBondContact O-N 2.91Å; E373-F375 HydrophobicContact CB-CE2 4.13Å; E373-F375 HydrophobicContact CB-CZ 4.35Å; E373-F375 WeakPolarHBondContact O-CD2 3.38Å; E373-F375 WeakPolarHBondContact O-CE2 3.44Å; F375-A377 PolarHBondContact O-N 2.96Å; F375-M399 HydrophobicContact CB-CE 4.48Å; F375-L401 HydrophobicContact CB-CD2 3.56Å; F375-L401 HydrophobicContact CD1-CD2 4.01Å; F375-L401 HydrophobicContact CD2-CB 4.46Å; F375-L401 HydrophobicContact CD2-CD2 3.23Å; F375-L401 HydrophobicContact CD2-CG 4.4Å; F375-L401 HydrophobicContact CE2-CB 4.36Å; F375-L401 HydrophobicContact CE2-CD2 3.93Å; F375-L401 HydrophobicContact CG-CD2 3.3Å; F375-P402 HydrophobicContact CE1-CG 4.2Å; F375-P402 VanDerWaalsContact CZ-CD 3.43Å; F375-P402 HydrophobicContact CZ-CG 3.68Å
376	T	95.7	Very high	94.5	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	106	175.5	-53	0	0	0	0	110.8	V307 M399	V307-T376 CarbonylContact O-C 3.56Å; V307-T376 WeakPolarHBondContact O-CA 3.33Å; T376-M399 WeakPolarHBondContact O-CE 3.34Å
377	A	92.4	Very high	94.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-44.9	177.1	0	0	0	0	0	111.7	V307 C309 F375 R397 M399 V461 L470	V307-A377 HydrophobicContact CG1-CB 4.34Å; V307-A377 PolarHBondContact O-N 2.95Å; C309-A377 HydrophobicContact CB-CB 4.45Å; F375-A377 PolarHBondContact O-N 2.96Å; A377-R397 PolarHBondContact O-NH1 2.93Å; A377-M399 HydrophobicContact CB-SD 4.48Å; A377-V461 HydrophobicContact CB-CG2 4.43Å; A377-L470 HydrophobicContact CB-CD2 4.49Å
378	L	92	Very high	94.6	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.8	-174.4	-179.5	64.4	0	0	0	110.8	F265 V307	F265-L378 HydrophobicContact CE2-CD2 3.66Å; F265-L378 HydrophobicContact CZ-CD2 3.52Å; V307-L378 HydrophobicContact CB-CB 4.09Å; V307-L378 HydrophobicContact CG2-CB 4.18Å; V307-L378 PolarHBondContact N-O 3.3Å; V307-L378 PolarHBondContact O-N 2.86Å
379	T	94.7	Very high	94.4	Very high	85 Å²	85	45.1 Å²	45.1	52%	0.521	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.4	164.3	-53.9	0	0	0	0	107.1	A305	A305-T379 WeakPolarHBondContact O-CA 3.3Å
380	I	94.3	Very high	94	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.8	-173.7	-174.1	169.4	0	0	0	110.3	L264 F265 I270 G304 A305 F382 L388 L391	L264-I380 HydrophobicContact CD2-CG2 4.43Å; F265-I380 HydrophobicContact CE1-CD1 4.02Å; F265-I380 HydrophobicContact CZ-CD1 4Å; I270-I380 HydrophobicContact CD1-CD1 3.48Å; I270-I380 VanDerWaalsContact CD1-CD1 3.48Å; G304-I380 CarbonylContact C-O 3.58Å; G304-I380 WeakPolarHBondContact CA-O 3.43Å; A305-I380 HydrophobicContact CB-CG2 3.73Å; A305-I380 PolarHBondContact N-O 3.21Å; A305-I380 PolarHBondContact O-N 3.14Å; I380-F382 HydrophobicContact CD1-CD1 4.16Å; I380-F382 HydrophobicContact CD1-CE1 3.7Å; I380-F382 HydrophobicContact CG1-CD1 4.22Å; I380-F382 HydrophobicContact CG1-CE1 4.09Å; I380-F382 HydrophobicContact CG2-CE1 4.01Å; I380-F382 HydrophobicContact CG2-CZ 3.98Å; I380-L388 HydrophobicContact CD1-CD2 3.69Å; I380-L388 HydrophobicContact CG1-CD2 3.9Å; I380-L391 HydrophobicContact CD1-CD1 3.35Å; I380-L391 HydrophobicContact CD1-CD2 4.43Å; I380-L391 HydrophobicContact CD1-CG 4.48Å; I380-L391 HydrophobicContact CG1-CD1 4.31Å
381	D	95.8	Very high	93.4	Very high	70 Å²	70	40 Å²	40	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.8	171.4	-176.5	-3.8	0	0	0	110	N383 N384 E387	D381-N383 PolarHBondContact O-N 2.69Å; D381-N383 WeakPolarHBondContact OD1-CA 3.4Å; D381-N383 WeakPolarHBondContact OD1-CB 3.39Å; D381-N383 PolarHBondContact OD1-N 2.93Å; D381-N384 HydrophobicContact CB-CB 3.99Å; D381-N384 PolarHBondContact O-N 3.35Å; D381-N384 VanDerWaalsContact O-N 3.11Å; D381-E387 PolarHBondContact N-OE2 2.92Å
382	F	96.3	Very high	92.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.6	178.7	-67.1	-45.3	0	0	0	112.9	L264 I269 I270 L273 W277 V300 P302 A303 G304 A305 I380 L388 L418	L264-F382 HydrophobicContact CD1-CZ 4.39Å; I269-F382 HydrophobicContact CD1-CE1 4.22Å; I269-F382 HydrophobicContact CD1-CE2 4.1Å; I269-F382 HydrophobicContact CD1-CZ 3.85Å; I269-F382 HydrophobicContact CG1-CE1 4.49Å; I270-F382 HydrophobicContact CD1-CE1 4.05Å; L273-F382 HydrophobicContact CD1-CB 3.76Å; L273-F382 HydrophobicContact CD1-CD1 3.5Å; L273-F382 VanDerWaalsContact CD1-CD1 3.5Å; L273-F382 HydrophobicContact CD1-CE1 4.22Å; L273-F382 HydrophobicContact CD1-CG 3.68Å; W277-F382 PolarHBondContact NE1-O 3.38Å; V300-F382 HydrophobicContact CG1-CB 4.26Å; P302-F382 HydrophobicContact CB-CD2 4.21Å; P302-F382 HydrophobicContact CB-CE2 4.37Å; P302-F382 HydrophobicContact CG-CD2 3.86Å; P302-F382 HydrophobicContact CG-CE2 3.85Å; P302-F382 WeakPolarHBondContact O-CD2 3.43Å; A303-F382 WeakPolarHBondContact O-CB 3.45Å; A303-F382 PolarHBondContact O-N 3.15Å; G304-F382 VanDerWaalsContact CA-CD2 3.44Å; A305-F382 HydrophobicContact CB-CE2 4.06Å; A305-F382 HydrophobicContact CB-CZ 4.21Å; I380-F382 HydrophobicContact CD1-CD1 4.16Å; I380-F382 HydrophobicContact CD1-CE1 3.7Å; I380-F382 HydrophobicContact CG1-CD1 4.22Å; I380-F382 HydrophobicContact CG1-CE1 4.09Å; I380-F382 HydrophobicContact CG2-CE1 4.01Å; I380-F382 HydrophobicContact CG2-CZ 3.98Å; F382-L388 HydrophobicContact CD1-CD2 4Å; F382-L418 HydrophobicContact CE2-CD2 4.33Å
383	N	95.1	Very high	91.4	Very high	39 Å²	39	47.6 Å²	47.6	21%	0.209	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.4	172.2	-66.4	-90.7	0	0	0	113.9	W277 R299 V300 A303 D381	W277-N383 HydrophobicContact CZ2-CB 4.12Å; R299-N383 WeakPolarHBondContact CA-OD1 3.37Å; V300-N383 PolarHBondContact N-OD1 2.77Å; A303-N383 VanDerWaalsContact CA-ND2 3.35Å; A303-N383 WeakPolarHBondContact CA-ND2 3.42Å; A303-N383 PolarHBondContact O-ND2 2.76Å; A303-N383 VanDerWaalsContact O-ND2 3.16Å; D381-N383 PolarHBondContact O-N 2.69Å; D381-N383 WeakPolarHBondContact OD1-CA 3.4Å; D381-N383 WeakPolarHBondContact OD1-CB 3.39Å; D381-N383 PolarHBondContact OD1-N 2.93Å
384	N	93.9	Very high	90.5	Very high	53 Å²	53	46.7 Å²	46.7	28%	0.283	26%	0.256	S	S	.	.			trans	-110.6	89.5	178.6	-175.6	-7.4	0	0	0	111.4	D381 Q386 E387 L388	D381-N384 HydrophobicContact CB-CB 3.99Å; D381-N384 PolarHBondContact O-N 3.35Å; D381-N384 VanDerWaalsContact O-N 3.11Å; N384-Q386 VanDerWaalsContact C-N 3.26Å; N384-Q386 PolarHBondContact O-N 3.45Å; N384-Q386 PolarHBondContact OD1-N 3.47Å; N384-Q386 PolarHBondContact OD1-OE1 3.2Å; N384-E387 HydrophobicContact CB-CB 3.93Å; N384-E387 WeakPolarHBondContact O-CB 3.47Å; N384-E387 PolarHBondContact O-N 3.41Å; N384-E387 PolarHBondContact OD1-N 2.99Å; N384-L388 PolarHBondContact O-N 2.91Å; N384-L388 VanDerWaalsContact O-N 3.11Å
385	V	91.6	Very high	89.6	Confident	11 Å²	11	52 Å²	52	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-35.3	-178.3	67.8	0	0	0	0	113.3	W277 E387 L388 E389	W277-V385 HydrophobicContact CB-CB 3.97Å; W277-V385 HydrophobicContact CB-CG2 3.7Å; W277-V385 HydrophobicContact CG-CB 3.95Å; W277-V385 HydrophobicContact CG-CG2 4.17Å; V385-E387 VanDerWaalsContact C-N 3.29Å; V385-E387 PolarHBondContact O-N 3.01Å; V385-L388 PolarHBondContact O-N 2.74Å; V385-E389 HydrophobicContact CG2-CG 4.28Å; V385-E389 WeakPolarHBondContact O-CG 3.46Å; V385-E389 PolarHBondContact O-N 2.98Å
386	Q	91.4	Very high	89.1	Confident	127 Å²	127	51.3 Å²	51.3	59%	0.593	28%	0.276	S	S	*	.	H	α-helix	trans	-67	-34	178	-67.2	80.9	24.9	0	0	111.8	N384 G390	N384-Q386 VanDerWaalsContact C-N 3.26Å; N384-Q386 PolarHBondContact O-N 3.45Å; N384-Q386 PolarHBondContact OD1-N 3.47Å; N384-Q386 PolarHBondContact OD1-OE1 3.2Å; Q386-G390 PolarHBondContact O-N 2.85Å; Q386-G390 VanDerWaalsContact O-N 3.12Å
387	E	92	Very high	88.7	Confident	41 Å²	41	55.2 Å²	55.2	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-46.2	172.1	172.7	161.3	-150.1	0	0	110.9	D381 N384 V385 G390 L391 R394	D381-E387 PolarHBondContact N-OE2 2.92Å; N384-E387 HydrophobicContact CB-CB 3.93Å; N384-E387 WeakPolarHBondContact O-CB 3.47Å; N384-E387 PolarHBondContact O-N 3.41Å; N384-E387 PolarHBondContact OD1-N 2.99Å; V385-E387 VanDerWaalsContact C-N 3.29Å; V385-E387 PolarHBondContact O-N 3.01Å; E387-G390 PolarHBondContact O-N 3.18Å; E387-G390 VanDerWaalsContact O-N 3.14Å; E387-L391 WeakPolarHBondContact O-CG 3.32Å; E387-L391 PolarHBondContact O-N 2.83Å; E387-R394 IonicContact OE1-CZ 3.89Å; E387-R394 IonicContact OE1-NH1 3.88Å; E387-R394 IonicContact OE1-NH2 3.48Å; E387-R394 PolarHBondContact OE1-NH2 3.41Å
388	L	91.6	Very high	88.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-48.8	179.1	-57.9	-178.9	0	0	0	112.1	I270 L273 I274 I380 F382 N384 V385 G390 L391	I270-L388 HydrophobicContact CD1-CD2 4.15Å; L273-L388 HydrophobicContact CB-CD1 3.89Å; I274-L388 HydrophobicContact CD1-CB 4.09Å; I274-L388 HydrophobicContact CG1-CB 3.67Å; I274-L388 HydrophobicContact CG1-CD1 4.42Å; I380-L388 HydrophobicContact CD1-CD2 3.69Å; I380-L388 HydrophobicContact CG1-CD2 3.9Å; F382-L388 HydrophobicContact CD1-CD2 4Å; N384-L388 PolarHBondContact O-N 2.91Å; N384-L388 VanDerWaalsContact O-N 3.11Å; V385-L388 PolarHBondContact O-N 2.74Å; L388-G390 PolarHBondContact O-N 2.95Å; L388-L391 HydrophobicContact CD2-CD1 4.16Å; L388-L391 WeakPolarHBondContact O-CB 3.33Å; L388-L391 PolarHBondContact O-N 3.25Å
389	E	90.8	Very high	88.5	Confident	83 Å²	83	59.7 Å²	59.7	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-32.1	176.2	-69.2	175	141.5	0	0	112.4	I274 H278 V385	I274-E389 HydrophobicContact CD1-CG 4.44Å; I274-E389 HydrophobicContact CG1-CG 4.42Å; I274-E389 HydrophobicContact CG2-CG 4.33Å; H278-E389 IonicContact CD2-OE1 2.76Å; H278-E389 IonicContact CE1-OE1 3.17Å; H278-E389 PolarHBondContact CE1-OE1 2.86Å; H278-E389 IonicContact NE2-OE1 2.65Å; H278-E389 PolarHBondContact NE2-OE1 3.34Å; V385-E389 HydrophobicContact CG2-CG 4.28Å; V385-E389 WeakPolarHBondContact O-CG 3.46Å; V385-E389 PolarHBondContact O-N 2.98Å
390	G	88.6	Confident	88.5	Confident	20 Å²	20	62.5 Å²	62.5	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-73.7	-22	179.4	0	0	0	0	0	114.1	Q386 E387 L388 T392 S393 R394	Q386-G390 PolarHBondContact O-N 2.85Å; Q386-G390 VanDerWaalsContact O-N 3.12Å; E387-G390 PolarHBondContact O-N 3.18Å; E387-G390 VanDerWaalsContact O-N 3.14Å; L388-G390 PolarHBondContact O-N 2.95Å; G390-T392 PolarHBondContact O-N 2.84Å; G390-S393 CarbonylContact O-C 3.54Å; G390-S393 PolarHBondContact O-N 3.39Å; G390-S393 VanDerWaalsContact O-N 3.09Å; G390-S393 PolarHBondContact O-OG 3.33Å; G390-R394 WeakPolarHBondContact O-CG 3.07Å; G390-R394 PolarHBondContact O-N 2.86Å; G390-R394 VanDerWaalsContact O-N 3.07Å
391	L	85.1	Confident	88.5	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-45.9	-171.4	-73.9	164.5	0	0	0	113.4	I270 I380 E387 L388 S393 R394	I270-L391 HydrophobicContact CD1-CD1 3.78Å; I270-L391 HydrophobicContact CG1-CD1 4.35Å; I270-L391 HydrophobicContact CG2-CD1 4.17Å; I380-L391 HydrophobicContact CD1-CD1 3.35Å; I380-L391 HydrophobicContact CD1-CD2 4.43Å; I380-L391 HydrophobicContact CD1-CG 4.48Å; I380-L391 HydrophobicContact CG1-CD1 4.31Å; E387-L391 WeakPolarHBondContact O-CG 3.32Å; E387-L391 PolarHBondContact O-N 2.83Å; L388-L391 HydrophobicContact CD2-CD1 4.16Å; L388-L391 WeakPolarHBondContact O-CB 3.33Å; L388-L391 PolarHBondContact O-N 3.25Å; L391-S393 PolarHBondContact O-N 3.44Å; L391-R394 WeakPolarHBondContact O-CB 3.11Å; L391-R394 PolarHBondContact O-N 3.36Å; L391-R394 VanDerWaalsContact O-N 3.15Å
392	T	75.5	Confident	88.5	Confident	67 Å²	67	61.7 Å²	61.7	41%	0.411	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.5	-179.5	54.3	0	0	0	0	112.2	G390 R464 A466	G390-T392 PolarHBondContact O-N 2.84Å; T392-R464 WeakPolarHBondContact CB-O 3.39Å; T392-R464 WeakPolarHBondContact O-CA 3.39Å; T392-A466 HydrophobicContact CG2-CB 4.45Å
393	S	78	Confident	88.5	Confident	93 Å²	93	62 Å²	62	65%	0.65	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.1	175.4	72.1	0	0	0	0	114.3	G390 L391	G390-S393 CarbonylContact O-C 3.54Å; G390-S393 PolarHBondContact O-N 3.39Å; G390-S393 VanDerWaalsContact O-N 3.09Å; G390-S393 PolarHBondContact O-OG 3.33Å; L391-S393 PolarHBondContact O-N 3.44Å
394	R	77.5	Confident	88.6	Confident	93 Å²	93	63 Å²	63	35%	0.351	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.5	139.4	-179.7	-77.2	-175.4	178.7	177.1	-1.7	110.6	E387 G390 L391 R464	E387-R394 IonicContact OE1-CZ 3.89Å; E387-R394 IonicContact OE1-NH1 3.88Å; E387-R394 IonicContact OE1-NH2 3.48Å; E387-R394 PolarHBondContact OE1-NH2 3.41Å; G390-R394 WeakPolarHBondContact O-CG 3.07Å; G390-R394 PolarHBondContact O-N 2.86Å; G390-R394 VanDerWaalsContact O-N 3.07Å; L391-R394 WeakPolarHBondContact O-CB 3.11Å; L391-R394 PolarHBondContact O-N 3.36Å; L391-R394 VanDerWaalsContact O-N 3.15Å; R394-R464 PolarHBondContact O-NE 3.5Å
395	E	76.6	Confident	88.7	Confident	171 Å²	171	64.7 Å²	64.7	80%	0.799	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-66.4	149.7	168.3	-67.6	-172.3	165.7	0	0	110.4	R397	E395-R397 PolarHBondContact O-N 3.1Å
396	V	81.3	Confident	89	Confident	40 Å²	40	69.5 Å²	69.5	24%	0.242	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-59.6	125.6	175	179	0	0	0	0	108.5	P347 E460	P347-V396 HydrophobicContact CB-CG2 4.39Å; V396-E460 HydrophobicContact CG1-CB 3.58Å; V396-E460 HydrophobicContact CG1-CG 3.73Å
397	R	87.4	Confident	89.2	Confident	145 Å²	145	63.7 Å²	63.7	55%	0.547	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118	-178.1	-173.9	-177.4	-179.2	-164.6	0.8	109.8	A377 E395 M399 E460 V461	A377-R397 PolarHBondContact O-NH1 2.93Å; E395-R397 PolarHBondContact O-N 3.1Å; R397-M399 HydrophobicContact CG-CG 4.36Å; R397-E460 WeakPolarHBondContact O-CA 3.31Å; R397-V461 PolarHBondContact N-O 2.95Å; R397-V461 PolarHBondContact O-N 3.3Å
398	E	90.1	Very high	89.4	Confident	85 Å²	85	63.4 Å²	63.4	40%	0.397	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.9	169.5	-165.3	-175	96.1	0	0	109.7	R400 I458 K481	E398-R400 IonicContact OE1-NE 3.24Å; E398-I458 VanDerWaalsContact CD-CG2 3.41Å; E398-I458 HydrophobicContact CG-CG2 3.36Å; E398-K481 IonicContact OE2-NZ 2.69Å; E398-K481 PolarHBondContact OE2-NZ 2.95Å
399	M	91.3	Very high	89.5	Confident	23 Å²	23	63.4 Å²	63.4	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146	175.3	-66.3	-173.3	63.1	0	0	110.3	F375 T376 A377 R397 I458 V459 V461	F375-M399 HydrophobicContact CB-CE 4.48Å; T376-M399 WeakPolarHBondContact O-CE 3.34Å; A377-M399 HydrophobicContact CB-SD 4.48Å; R397-M399 HydrophobicContact CG-CG 4.36Å; M399-I458 WeakPolarHBondContact O-CA 3.04Å; M399-V459 PolarHBondContact N-O 2.97Å; M399-V459 PolarHBondContact O-N 3.11Å; M399-V461 HydrophobicContact CG-CG2 4.32Å; M399-V461 HydrophobicContact SD-CG2 3.73Å
400	R	93.9	Very high	89.7	Confident	144 Å²	144	59.5 Å²	59.5	54%	0.543	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.5	176.5	-60.1	-174.4	-173.5	-178.8	2.5	109.5	E398 E456 L457	E398-R400 IonicContact OE1-NE 3.24Å; R400-E456 IonicContact NH1-OE2 3.06Å; R400-L457 CarbonylContact C-O 3.51Å; R400-L457 WeakPolarHBondContact CA-O 3.18Å
401	L	94.3	Very high	90	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.2	-175.6	-55.8	165.1	0	0	0	108.2	T372 F375 V403 E456 L457 V459	T372-L401 HydrophobicContact CG2-CB 4.07Å; F375-L401 HydrophobicContact CB-CD2 3.56Å; F375-L401 HydrophobicContact CD1-CD2 4.01Å; F375-L401 HydrophobicContact CD2-CB 4.46Å; F375-L401 HydrophobicContact CD2-CD2 3.23Å; F375-L401 HydrophobicContact CD2-CG 4.4Å; F375-L401 HydrophobicContact CE2-CB 4.36Å; F375-L401 HydrophobicContact CE2-CD2 3.93Å; F375-L401 HydrophobicContact CG-CD2 3.3Å; L401-V403 PolarHBondContact O-N 2.91Å; L401-E456 WeakPolarHBondContact O-CA 3.29Å; L401-L457 HydrophobicContact CB-CB 4.27Å; L401-L457 HydrophobicContact CD1-CD2 4.22Å; L401-L457 PolarHBondContact N-O 3.18Å; L401-L457 PolarHBondContact O-N 3.19Å; L401-V459 HydrophobicContact CD1-CB 4.04Å; L401-V459 HydrophobicContact CD1-CG2 3.36Å; L401-V459 HydrophobicContact CG-CG2 4.4Å
402	P	95.9	Very high	90.5	Very high	57 Å²	57	58.4 Å²	58.4	37%	0.37	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.2	176	26.3	-34.6	0	0	0	110.4	F375	F375-P402 HydrophobicContact CE1-CG 4.2Å; F375-P402 VanDerWaalsContact CZ-CD 3.43Å; F375-P402 HydrophobicContact CZ-CG 3.68Å
403	V	97.2	Very high	91.6	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.042	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-77.8	124.6	176.8	177.8	0	0	0	0	109.2	L371 T372 L401 Q405 L451 K452 L454 D455	L371-V403 WeakPolarHBondContact O-CA 3.12Å; T372-V403 HydrophobicContact CG2-CG2 4.48Å; L401-V403 PolarHBondContact O-N 2.91Å; V403-Q405 WeakPolarHBondContact CG1-O 2.83Å; V403-L451 HydrophobicContact CG1-CB 3.85Å; V403-L451 HydrophobicContact CG2-CB 4.08Å; V403-L451 HydrophobicContact CG2-CD1 3.97Å; V403-L451 HydrophobicContact CG2-CD2 4.26Å; V403-L451 HydrophobicContact CG2-CG 4.35Å; V403-K452 WeakPolarHBondContact CB-O 3.33Å; V403-K452 VanDerWaalsContact CG1-O 3.29Å; V403-K452 WeakPolarHBondContact CG1-O 3.41Å; V403-L454 PolarHBondContact O-N 3.22Å; V403-D455 HydrophobicContact CB-CB 4.11Å; V403-D455 WeakPolarHBondContact CB-O 3.48Å; V403-D455 HydrophobicContact CG2-CB 3.81Å; V403-D455 WeakPolarHBondContact CG2-O 3.4Å; V403-D455 PolarHBondContact N-O 3.45Å
404	T	96.6	Very high	92.5	Very high	60 Å²	60	50.9 Å²	50.9	37%	0.368	24%	0.235	S	C	.	.			trans	-101.4	-23.9	-179.2	56.2	0	0	0	0	112.8	L371 E373	L371-T404 PolarHBondContact O-N 3.49Å; L371-T404 PolarHBondContact O-OG1 3.33Å; E373-T404 HydrophobicContact CG-CG2 4.11Å
405	Q	96.8	Very high	93.4	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	22%	0.222	S	C	.	.	S	Bend	trans	-130.3	145.5	179.3	-57	-165.3	15.7	0	0	112	A370 L371 V403	A370-Q405 VanDerWaalsContact O-CD 3.31Å; A370-Q405 PolarHBondContact O-OE1 3.32Å; L371-Q405 PolarHBondContact O-N 3.3Å; V403-Q405 WeakPolarHBondContact CG1-O 2.83Å
406	E	97.3	Very high	94.4	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	19%	0.185	S	C	.	.			trans	-72.6	133.4	169.2	-171.7	173.3	152.4	0	0	110	R369 V450 L451 K452	R369-E406 PolarHBondContact NH1-O 3.16Å; E406-V450 HydrophobicContact CG-CG1 4.18Å; E406-L451 WeakPolarHBondContact CA-O 3.38Å; E406-L451 WeakPolarHBondContact CG-O 3.33Å; E406-K452 HydrophobicContact CG-CG 4.5Å
407	G	95.9	Very high	95.1	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	172.8	177.8	0	0	0	0	0	113.5	E313 V450 L451	E313-G407 WeakPolarHBondContact OE2-CA 3.39Å; G407-V450 CarbonylContact O-C 3.47Å; G407-V450 WeakPolarHBondContact O-CA 3.32Å; G407-L451 PolarHBondContact N-O 2.89Å; G407-L451 VanDerWaalsContact N-O 3.11Å; G407-L451 PolarHBondContact O-N 2.93Å
408	E	95.2	Very high	95.6	Very high	34 Å²	34	33.1 Å²	33.1	16%	0.159	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	-178.3	179.3	170.5	-179.9	0	0	111.2	E313 R318 D410 S448	E313-E408 VanDerWaalsContact CA-O 3.3Å; E313-E408 WeakPolarHBondContact CA-O 3.26Å; E313-E408 WeakPolarHBondContact CB-O 3.26Å; E313-E408 HydrophobicContact CG-CB 4.2Å; E313-E408 VanDerWaalsContact CG-O 3.32Å; E313-E408 WeakPolarHBondContact CG-O 3.49Å; E313-E408 PolarHBondContact OE2-N 3.15Å; R318-E408 IonicContact CZ-OE1 3.92Å; R318-E408 VanDerWaalsContact CZ-OE1 3.26Å; R318-E408 IonicContact CZ-OE2 3.87Å; R318-E408 IonicContact NE-OE1 3.46Å; R318-E408 IonicContact NH1-OE1 3.32Å; R318-E408 PolarHBondContact NH1-OE1 3.11Å; R318-E408 IonicContact NH1-OE2 3.94Å; R318-E408 PolarHBondContact NH1-OE2 3.42Å; R318-E408 IonicContact NH2-OE1 2.72Å; R318-E408 IonicContact NH2-OE2 2.66Å; R318-E408 PolarHBondContact NH2-OE2 2.96Å; E408-D410 PolarHBondContact O-N 2.93Å; E408-S448 VanDerWaalsContact CG-OG 3.31Å; E408-S448 WeakPolarHBondContact CG-OG 3.48Å; E408-S448 WeakPolarHBondContact OE1-CB 3.36Å; E408-S448 PolarHBondContact OE1-OG 3.25Å; E408-S448 PolarHBondContact OE2-OG 3.01Å
409	L	95.1	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.			trans	-72.1	113.6	179.3	179.4	62.9	0	0	0	110.5	A311 R322 L371 V443 F449 L451 L457 C472 L484	A311-L409 HydrophobicContact CB-CD1 3.91Å; R322-L409 PolarHBondContact NH2-O 3.23Å; L371-L409 HydrophobicContact CD1-CB 4.46Å; L371-L409 HydrophobicContact CD1-CD1 4.44Å; L409-V443 HydrophobicContact CD1-CG2 4.38Å; L409-V443 HydrophobicContact CD2-CG2 4.04Å; L409-V443 HydrophobicContact CG-CG2 3.86Å; L409-F449 PolarHBondContact N-O 3.46Å; L409-L451 HydrophobicContact CB-CD1 4.03Å; L409-L451 HydrophobicContact CB-CG 4.14Å; L409-L451 HydrophobicContact CD1-CD1 4.11Å; L409-L451 HydrophobicContact CD2-CD1 4.44Å; L409-L451 HydrophobicContact CG-CD1 4.42Å; L409-L457 HydrophobicContact CD1-CD2 4.2Å; L409-L457 HydrophobicContact CD2-CD1 3.83Å; L409-L457 HydrophobicContact CD2-CD2 4.36Å; L409-C472 HydrophobicContact CD2-CB 4.17Å; L409-L484 HydrophobicContact CD2-CD1 3.86Å
410	D	94.3	Very high	96.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.15	C	C	.	.			trans	-108.2	-42.3	179.5	-73	-45.5	0	0	0	113.2	V312 E313 C314 R318 R322 E408 V443	V312-D410 PolarHBondContact O-N 2.91Å; E313-D410 WeakPolarHBondContact CA-OD2 3.28Å; E313-D410 WeakPolarHBondContact CG-OD2 3.31Å; C314-D410 PolarHBondContact N-OD2 3.27Å; R318-D410 WeakPolarHBondContact CB-OD1 3.18Å; R318-D410 WeakPolarHBondContact CG-OD1 3.47Å; R318-D410 IonicContact CZ-OD1 3.82Å; R318-D410 IonicContact CZ-OD2 2.99Å; R318-D410 IonicContact NE-OD1 3.25Å; R318-D410 PolarHBondContact NE-OD1 2.81Å; R318-D410 IonicContact NE-OD2 2.93Å; R318-D410 PolarHBondContact NE-OD2 3.31Å; R318-D410 IonicContact NH2-OD1 2.85Å; R318-D410 PolarHBondContact NH2-OD1 3.34Å; R318-D410 IonicContact NH2-OD2 3.24Å; R318-D410 PolarHBondContact NH2-OD2 3.42Å; R322-D410 IonicContact CZ-OD1 3.03Å; R322-D410 IonicContact NH2-OD1 2.71Å; R322-D410 PolarHBondContact NH2-OD1 3.1Å; E408-D410 PolarHBondContact O-N 2.93Å; D410-V443 PolarHBondContact O-N 3.38Å
411	A	95.2	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	168.1	-179.2	0	0	0	0	0	112.5	V312 I317 I440 Y441	V312-A411 HydrophobicContact CG2-CB 4.06Å; V312-A411 PolarHBondContact N-O 2.78Å; V312-A411 PolarHBondContact O-N 3.41Å; I317-A411 HydrophobicContact CD1-CB 4.42Å; I317-A411 HydrophobicContact CG2-CB 3.95Å; A411-I440 HydrophobicContact CB-CG2 3.74Å; A411-Y441 CarbonylContact C-O 3.54Å; A411-Y441 VanDerWaalsContact CA-O 3.27Å; A411-Y441 WeakPolarHBondContact CA-O 3.33Å; A411-Y441 WeakPolarHBondContact CB-O 3.43Å
412	L	96.3	Very high	96.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.6	156.1	-57.6	170.7	0	0	0	108.7	M310 A311 Y441 L457 V459 L470 C472	M310-L412 WeakPolarHBondContact O-CA 3.47Å; A311-L412 HydrophobicContact CB-CD2 4Å; L412-Y441 PolarHBondContact N-O 2.94Å; L412-Y441 PolarHBondContact O-N 3.21Å; L412-L457 HydrophobicContact CD2-CD2 4.18Å; L412-V459 HydrophobicContact CD1-CB 4.49Å; L412-V459 HydrophobicContact CD1-CG1 3.67Å; L412-V459 HydrophobicContact CD1-CG2 3.93Å; L412-V459 HydrophobicContact CD2-CG2 4.12Å; L412-L470 HydrophobicContact CD1-CB 3.8Å; L412-L470 HydrophobicContact CD1-CD2 4.18Å; L412-C472 VanDerWaalsContact CG-SG 3.51Å
413	A	96.8	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.2	167.9	0	0	0	0	0	109.6	C309 M310 V312 L361 I440	C309-A413 CarbonylContact C-O 3.58Å; C309-A413 VanDerWaalsContact CA-O 3.3Å; C309-A413 WeakPolarHBondContact CA-O 3.47Å; M310-A413 PolarHBondContact N-O 3.41Å; M310-A413 PolarHBondContact O-N 2.87Å; V312-A413 HydrophobicContact CG1-CB 4.02Å; V312-A413 HydrophobicContact CG2-CB 4.4Å; L361-A413 HydrophobicContact CD1-CB 3.6Å; A413-I440 HydrophobicContact CB-CD1 4.22Å
414	V	97.1	Very high	95.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.3	-176.2	176.9	0	0	0	0	110.5	V307 F308 C309 Q438 A439 Y441 L468 L470	V307-V414 HydrophobicContact CG1-CG1 3.59Å; F308-V414 VanDerWaalsContact O-CA 3.29Å; F308-V414 WeakPolarHBondContact O-CA 3.34Å; F308-V414 WeakPolarHBondContact O-CG1 3.22Å; C309-V414 HydrophobicContact CB-CG2 3.91Å; V414-Q438 CarbonylContact O-C 3.59Å; V414-Q438 WeakPolarHBondContact O-CA 3.45Å; V414-Q438 WeakPolarHBondContact O-CB 3.3Å; V414-A439 HydrophobicContact CB-CB 4.22Å; V414-A439 PolarHBondContact N-O 3.23Å; V414-A439 PolarHBondContact O-N 3.33Å; V414-Y441 HydrophobicContact CB-CD2 4.26Å; V414-Y441 HydrophobicContact CB-CE2 3.85Å; V414-Y441 HydrophobicContact CG1-CE2 4.36Å; V414-Y441 HydrophobicContact CG2-CD2 3.62Å; V414-Y441 HydrophobicContact CG2-CE2 3.52Å; V414-L468 HydrophobicContact CG1-CD2 3.88Å; V414-L470 HydrophobicContact CG2-CD1 4.17Å; V414-L470 HydrophobicContact CG2-CD2 3.84Å
415	W	97.5	Very high	95.8	Very high	19 Å²	19	38.6 Å²	38.6	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	175.3	174.3	67	94.6	0	0	0	109.6	F308 M310 P374 T428 Q438	F308-W415 HydrophobicContact CB-CD2 3.96Å; F308-W415 HydrophobicContact CB-CG 4.35Å; F308-W415 HydrophobicContact CB-CH2 4.38Å; F308-W415 HydrophobicContact CB-CZ2 3.77Å; F308-W415 AromaticContact CD2-CD1 3.89Å; F308-W415 AromaticContact CD2-NE1 3.63Å; F308-W415 HydrophobicContact CG-CZ2 4.47Å; F308-W415 AromaticContact CG-NE1 3.79Å; F308-W415 PolarHBondContact N-O 3.06Å; F308-W415 PolarHBondContact O-N 3.29Å; M310-W415 HydrophobicContact CB-CH2 3.87Å; M310-W415 HydrophobicContact CB-CZ3 3.78Å; M310-W415 HydrophobicContact CE-CH2 4.28Å; M310-W415 HydrophobicContact CE-CZ3 4.14Å; M310-W415 HydrophobicContact SD-CH2 4.44Å; P374-W415 HydrophobicContact CB-CH2 3.68Å; P374-W415 HydrophobicContact CB-CZ2 3.64Å; P374-W415 HydrophobicContact CG-CH2 3.81Å; P374-W415 HydrophobicContact CG-CZ2 3.91Å; W415-T428 WeakPolarHBondContact CB-O 3.3Å; W415-Q438 HydrophobicContact CB-CG 4.06Å
416	F	96.9	Very high	95.8	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.9	-179.9	59.1	-91.9	0	0	0	112.6	V260 D261 A262 L264 A306 V307 L418 T428	V260-F416 HydrophobicContact CG2-CZ 4.4Å; D261-F416 WeakPolarHBondContact O-CE1 3.39Å; D261-F416 WeakPolarHBondContact O-CZ 3.46Å; A262-F416 WeakPolarHBondContact O-CE1 3.39Å; L264-F416 HydrophobicContact CB-CD1 3.85Å; L264-F416 HydrophobicContact CB-CE1 4.2Å; L264-F416 HydrophobicContact CB-CG 4.22Å; L264-F416 HydrophobicContact CD1-CD1 4.43Å; L264-F416 HydrophobicContact CD1-CD2 4.05Å; L264-F416 HydrophobicContact CD1-CE2 4.18Å; L264-F416 HydrophobicContact CD1-CG 4.17Å; L264-F416 HydrophobicContact CD1-CZ 4.42Å; A306-F416 CarbonylContact O-C 3.51Å; A306-F416 WeakPolarHBondContact O-CA 3.23Å; A306-F416 WeakPolarHBondContact O-CB 3.34Å; V307-F416 HydrophobicContact CG2-CB 4.27Å; F416-L418 HydrophobicContact CD2-CD1 4.46Å; F416-L418 HydrophobicContact CD2-CD2 3.93Å; F416-L418 HydrophobicContact CD2-CG 3.68Å; F416-L418 HydrophobicContact CE2-CD1 3.8Å; F416-L418 HydrophobicContact CE2-CD2 3.97Å; F416-L418 HydrophobicContact CE2-CG 3.52Å; F416-T428 HydrophobicContact CD2-CG2 4.22Å; F416-T428 HydrophobicContact CE1-CG2 3.99Å; F416-T428 HydrophobicContact CE2-CG2 3.65Å; F416-T428 HydrophobicContact CZ-CG2 3.55Å; F416-T428 PolarHBondContact N-OG1 2.95Å; F416-T428 PolarHBondContact O-N 3.49Å; F416-T428 PolarHBondContact O-OG1 3.46Å
417	Q	96.9	Very high	95.7	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.243	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	164.9	-175.7	176.1	-38.4	0	0	108.9	A305 A306 F308 H419 S425 L426	A305-Q417 CarbonylContact C-O 3.57Å; A305-Q417 VanDerWaalsContact CA-O 3.26Å; A305-Q417 WeakPolarHBondContact CA-O 3.46Å; A306-Q417 PolarHBondContact N-O 3.34Å; A306-Q417 PolarHBondContact O-N 2.82Å; F308-Q417 HydrophobicContact CE2-CB 3.88Å; Q417-H419 PolarHBondContact NE2-CE1 2.95Å; Q417-H419 VanDerWaalsContact NE2-CE1 3.3Å; Q417-S425 PolarHBondContact NE2-OG 2.83Å; Q417-S425 VanDerWaalsContact NE2-OG 3.15Å; Q417-L426 CarbonylContact C-O 3.57Å; Q417-L426 WeakPolarHBondContact CA-O 3.27Å
418	L	96.9	Very high	95.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.2	170.1	-66.2	175.6	0	0	0	109.6	V260 L264 P302 A305 F382 F416 L420 S425 L426	V260-L418 HydrophobicContact CG2-CD1 4.28Å; L264-L418 HydrophobicContact CD1-CD2 3.59Å; P302-L418 HydrophobicContact CB-CB 4.34Å; P302-L418 HydrophobicContact CB-CD2 4.32Å; P302-L418 HydrophobicContact CG-CD2 4.17Å; A305-L418 HydrophobicContact CB-CD2 3.85Å; F382-L418 HydrophobicContact CE2-CD2 4.33Å; F416-L418 HydrophobicContact CD2-CD1 4.46Å; F416-L418 HydrophobicContact CD2-CD2 3.93Å; F416-L418 HydrophobicContact CD2-CG 3.68Å; F416-L418 HydrophobicContact CE2-CD1 3.8Å; F416-L418 HydrophobicContact CE2-CD2 3.97Å; F416-L418 HydrophobicContact CE2-CG 3.52Å; L418-L420 HydrophobicContact CB-CD2 4.46Å; L418-S425 CarbonylContact O-C 3.56Å; L418-S425 WeakPolarHBondContact O-CA 3.36Å; L418-S425 VanDerWaalsContact O-CB 3.22Å; L418-S425 WeakPolarHBondContact O-CB 3.48Å; L418-L426 HydrophobicContact CB-CB 4.35Å; L418-L426 PolarHBondContact N-O 3.14Å; L418-L426 PolarHBondContact O-N 3.26Å
419	H	97.9	Very high	95.6	Very high	67 Å²	67	29.6 Å²	29.6	31%	0.31	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.4	170.4	-58.5	-75.2	0	0	0	107.6	P302 A303 G304 Q417	P302-H419 CarbonylContact C-O 3.21Å; A303-H419 WeakPolarHBondContact CA-O 3.37Å; A303-H419 PolarHBondContact N-O 3.11Å; G304-H419 PolarHBondContact N-O 3.07Å; G304-H419 PolarHBondContact O-N 3.35Å; Q417-H419 PolarHBondContact NE2-CE1 2.95Å; Q417-H419 VanDerWaalsContact NE2-CE1 3.3Å
420	L	97.8	Very high	95.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.151	C	C	.	.	S	Bend	trans	-72.3	-43.2	178.9	-55.9	-174.1	0	0	0	110.5	K168 Y169 A172 I301 P302 L418 N424 L426	K168-L420 HydrophobicContact CB-CD1 3.88Å; Y169-L420 HydrophobicContact CD1-CD2 4.49Å; Y169-L420 HydrophobicContact CD2-CD1 4.11Å; Y169-L420 HydrophobicContact CD2-CD2 4.47Å; Y169-L420 HydrophobicContact CE1-CD2 4.06Å; Y169-L420 HydrophobicContact CE2-CD1 4.46Å; Y169-L420 HydrophobicContact CE2-CD2 4.03Å; Y169-L420 HydrophobicContact CG-CD1 4.15Å; A172-L420 HydrophobicContact CB-CB 3.78Å; A172-L420 HydrophobicContact CB-CD1 4.37Å; I301-L420 HydrophobicContact CG2-CB 4.28Å; I301-L420 HydrophobicContact CG2-CD2 4.31Å; P302-L420 HydrophobicContact CB-CD2 4.02Å; L418-L420 HydrophobicContact CB-CD2 4.46Å; L420-N424 HydrophobicContact CB-CB 4.09Å; L420-N424 WeakPolarHBondContact CB-O 3.23Å; L420-N424 HydrophobicContact CD1-CB 4.39Å; L420-N424 PolarHBondContact N-O 3.4Å; L420-L426 HydrophobicContact CD1-CD1 4.13Å; L420-L426 HydrophobicContact CD1-CG 4.23Å; L420-L426 HydrophobicContact CD2-CD1 4.1Å; L420-L426 HydrophobicContact CG-CD1 4.41Å; L420-L426 HydrophobicContact CG-CG 4.44Å
421	D	94.6	Very high	95	Very high	32 Å²	32	38 Å²	38	17%	0.171	19%	0.188	C	C	.	.	S	Bend	trans	-152.7	-164.4	170.1	64.9	26.9	0	0	0	109.9	A172 E423 N424	A172-D421 WeakPolarHBondContact CA-OD2 3.27Å; D421-E423 PolarHBondContact O-N 3.23Å; D421-E423 WeakPolarHBondContact OD1-CA 3.34Å; D421-E423 PolarHBondContact OD1-N 3.41Å; D421-N424 VanDerWaalsContact CG-ND2 3.34Å; D421-N424 PolarHBondContact N-O 2.89Å; D421-N424 WeakPolarHBondContact OD1-CB 3.32Å; D421-N424 PolarHBondContact OD1-N 3.34Å; D421-N424 PolarHBondContact OD1-ND2 3.46Å; D421-N424 PolarHBondContact OD2-ND2 3.47Å
422	E	92.1	Very high	94.5	Very high	187 Å²	187	42.5 Å²	42.5	87%	0.874	21%	0.209	S	C	*	.	S	Bend	trans	-64	-21.8	179.9	-62.4	169.4	-179.6	0	0	114.3
423	E	92.8	Very high	93.6	Very high	145 Å²	145	48.8 Å²	48.8	68%	0.678	24%	0.243	S	C	*	.	S	Bend	trans	-116.3	-23.4	-173.1	-73.4	165.9	-161.3	0	0	113	K175 D421	K175-E423 IonicContact NZ-OE1 2.7Å; K175-E423 PolarHBondContact NZ-OE1 2.97Å; K175-E423 IonicContact NZ-OE2 2.78Å; K175-E423 PolarHBondContact NZ-OE2 2.99Å; D421-E423 PolarHBondContact O-N 3.23Å; D421-E423 WeakPolarHBondContact OD1-CA 3.34Å; D421-E423 PolarHBondContact OD1-N 3.41Å
424	N	93.4	Very high	92.7	Very high	21 Å²	21	50 Å²	50	11%	0.112	25%	0.251	C	S	.	.			trans	-113.6	123.8	-172	-63.2	-72	0	0	0	111.1	Q171 L420 D421	Q171-N424 PolarHBondContact OE1-OD1 2.82Å; L420-N424 HydrophobicContact CB-CB 4.09Å; L420-N424 WeakPolarHBondContact CB-O 3.23Å; L420-N424 HydrophobicContact CD1-CB 4.39Å; L420-N424 PolarHBondContact N-O 3.4Å; D421-N424 VanDerWaalsContact CG-ND2 3.34Å; D421-N424 PolarHBondContact N-O 2.89Å; D421-N424 WeakPolarHBondContact OD1-CB 3.32Å; D421-N424 PolarHBondContact OD1-N 3.34Å; D421-N424 PolarHBondContact OD1-ND2 3.46Å; D421-N424 PolarHBondContact OD2-ND2 3.47Å
425	S	95.8	Very high	91.7	Very high	38 Å²	38	50.7 Å²	50.7	27%	0.266	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.5	172.4	64.2	0	0	0	0	113.4	K168 Q417 L418	K168-S425 WeakPolarHBondContact CD-O 3.47Å; K168-S425 WeakPolarHBondContact CE-O 3.24Å; K168-S425 PolarHBondContact NZ-O 2.86Å; Q417-S425 PolarHBondContact NE2-OG 2.83Å; Q417-S425 VanDerWaalsContact NE2-OG 3.15Å; L418-S425 CarbonylContact O-C 3.56Å; L418-S425 WeakPolarHBondContact O-CA 3.36Å; L418-S425 VanDerWaalsContact O-CB 3.22Å; L418-S425 WeakPolarHBondContact O-CB 3.48Å
426	L	95.5	Very high	91.1	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.105	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.1	174.1	-60.9	170.3	0	0	0	108.4	R165 K168 Y169 Q417 L418 L420	R165-L426 HydrophobicContact CB-CD2 4.22Å; R165-L426 HydrophobicContact CG-CD1 3.83Å; R165-L426 HydrophobicContact CG-CD2 4.11Å; K168-L426 HydrophobicContact CB-CD2 4.1Å; K168-L426 HydrophobicContact CD-CD2 3.41Å; K168-L426 VanDerWaalsContact CD-CD2 3.41Å; K168-L426 HydrophobicContact CD-CG 4.38Å; K168-L426 HydrophobicContact CG-CD2 4.39Å; Y169-L426 HydrophobicContact CD2-CD1 3.86Å; Y169-L426 HydrophobicContact CE2-CD1 3.48Å; Y169-L426 VanDerWaalsContact CE2-CD1 3.48Å; Q417-L426 CarbonylContact C-O 3.57Å; Q417-L426 WeakPolarHBondContact CA-O 3.27Å; L418-L426 HydrophobicContact CB-CB 4.35Å; L418-L426 PolarHBondContact N-O 3.14Å; L418-L426 PolarHBondContact O-N 3.26Å; L420-L426 HydrophobicContact CD1-CD1 4.13Å; L420-L426 HydrophobicContact CD1-CG 4.23Å; L420-L426 HydrophobicContact CD2-CD1 4.1Å; L420-L426 HydrophobicContact CG-CD1 4.41Å; L420-L426 HydrophobicContact CG-CG 4.44Å
427	S	94.8	Very high	90.8	Very high	25 Å²	25	54.3 Å²	54.3	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.2	177	175.1	0	0	0	0	108.9	G429 T434	S427-G429 PolarHBondContact OG-N 2.92Å; S427-T434 WeakPolarHBondContact O-CG2 3.15Å
428	T	95.1	Very high	90.8	Very high	2 Å²	2	52 Å²	52	1%	0.012	26%	0.261	C	S	.	.			trans	-101.8	18.8	171.2	61.2	0	0	0	0	111.6	W415 F416 W436 Q438	W415-T428 WeakPolarHBondContact CB-O 3.3Å; F416-T428 HydrophobicContact CD2-CG2 4.22Å; F416-T428 HydrophobicContact CE1-CG2 3.99Å; F416-T428 HydrophobicContact CE2-CG2 3.65Å; F416-T428 HydrophobicContact CZ-CG2 3.55Å; F416-T428 PolarHBondContact N-OG1 2.95Å; F416-T428 PolarHBondContact O-N 3.49Å; F416-T428 PolarHBondContact O-OG1 3.46Å; T428-W436 HydrophobicContact CG2-CB 3.39Å; T428-W436 HydrophobicContact CG2-CD2 4.42Å; T428-W436 HydrophobicContact CG2-CG 3.49Å; T428-W436 VanDerWaalsContact CG2-CG 3.49Å; T428-Q438 PolarHBondContact O-NE2 3.02Å
429	G	93.9	Very high	90.7	Very high	4 Å²	4	51.9 Å²	51.9	4%	0.041	26%	0.26	C	S	.	.			trans	-63.7	155.4	-178.9	0	0	0	0	0	113.4	S427 Q431 E432	S427-G429 PolarHBondContact OG-N 2.92Å; G429-Q431 PolarHBondContact O-N 2.96Å; G429-E432 WeakPolarHBondContact O-CB 3.39Å; G429-E432 PolarHBondContact O-N 3.07Å
430	P	90.8	Very high	90.6	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.071	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.6	-173.4	25.8	-35.8	0	0	0	115	L361	L361-P430 HydrophobicContact CB-CB 3.89Å; L361-P430 HydrophobicContact CD1-CB 4.04Å; L361-P430 HydrophobicContact CD1-CG 4.47Å
431	Q	86.6	Confident	90.4	Very high	166 Å²	166	48.8 Å²	48.8	78%	0.776	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.6	177.4	-56.1	-60	-21.7	0	0	112.7	G429	G429-Q431 PolarHBondContact O-N 2.96Å
432	E	85.8	Confident	90.3	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	24%	0.239	S	C	.	.	S	Bend	trans	-94.2	139.3	-176.5	-54.2	-73.2	170.2	0	0	110.1	G429 T434	G429-E432 WeakPolarHBondContact O-CB 3.39Å; G429-E432 PolarHBondContact O-N 3.07Å; E432-T434 HydrophobicContact CB-CG2 3.75Å; E432-T434 PolarHBondContact O-N 3.42Å
433	D	76	Confident	90.1	Very high	134 Å²	134	39.1 Å²	39.1	72%	0.717	20%	0.201	S	C	*	.			trans	-91.7	81.7	172.3	-168.9	27.9	0	0	0	109.1	R363	R363-D433 IonicContact NH2-OD1 3.29Å
434	T	77.9	Confident	89.3	Confident	26 Å²	26	33.7 Å²	33.7	16%	0.16	18%	0.175	C	C	.	.			trans	-122.2	165.8	-177.9	71.9	0	0	0	0	112.3	R360 S427 E432 W436	R360-T434 PolarHBondContact NH1-O 3Å; R360-T434 PolarHBondContact NH2-O 2.89Å; R360-T434 VanDerWaalsContact NH2-O 3.1Å; S427-T434 WeakPolarHBondContact O-CG2 3.15Å; E432-T434 HydrophobicContact CB-CG2 3.75Å; E432-T434 PolarHBondContact O-N 3.42Å; T434-W436 PolarHBondContact O-N 3.09Å; T434-W436 PolarHBondContact OG1-N 2.83Å
435	C	76.4	Confident	88.3	Confident	15 Å²	15	33.5 Å²	33.5	10%	0.101	18%	0.176	C	C	.	.	S	Bend	trans	-63.5	-18.8	173.3	59.8	0	0	0	0	113.8	L158 M159 R360	L158-C435 HydrophobicContact CB-CB 3.83Å; M159-C435 HydrophobicContact CG-CB 4.23Å; R360-C435 PolarHBondContact NH2-O 2.68Å
436	W	85	Confident	86.6	Confident	29 Å²	29	35.9 Å²	35.9	11%	0.11	20%	0.198	C	C	.	.			trans	-85.5	149	-175.1	-66.6	104.2	0	0	0	113.6	M159 E258 V260 R360 T428 T434	M159-W436 HydrophobicContact SD-CZ2 4.35Å; E258-W436 VanDerWaalsContact OE1-CZ2 3.23Å; E258-W436 WeakPolarHBondContact OE1-CZ2 3.24Å; V260-W436 HydrophobicContact CG2-CH2 4.06Å; V260-W436 HydrophobicContact CG2-CZ2 3.76Å; V260-W436 WeakPolarHBondContact O-CH2 3.04Å; V260-W436 VanDerWaalsContact O-CZ3 3.28Å; V260-W436 WeakPolarHBondContact O-CZ3 3.23Å; R360-W436 PolarHBondContact NH2-O 2.86Å; T428-W436 HydrophobicContact CG2-CB 3.39Å; T428-W436 HydrophobicContact CG2-CD2 4.42Å; T428-W436 HydrophobicContact CG2-CG 3.49Å; T428-W436 VanDerWaalsContact CG2-CG 3.49Å; T434-W436 PolarHBondContact O-N 3.09Å; T434-W436 PolarHBondContact OG1-N 2.83Å
437	E	91.4	Very high	85.2	Confident	69 Å²	69	42.2 Å²	42.2	32%	0.322	23%	0.229	S	C	.	.			trans	-99.2	174.4	169.3	-62.5	-170.7	154	0	0	110.8	A262 T358 R360	A262-E437 WeakPolarHBondContact CB-O 3.5Å; T358-E437 WeakPolarHBondContact CB-OE2 3.5Å; T358-E437 PolarHBondContact OG1-OE2 2.79Å; R360-E437 HydrophobicContact CB-CG 4.39Å
438	Q	95.8	Very high	84.4	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.8	175.6	-66.5	78.4	55.9	0	0	109.9	T358 E359 L361 V414 W415 T428 I440	T358-Q438 WeakPolarHBondContact CA-O 3.3Å; E359-Q438 PolarHBondContact N-O 2.82Å; E359-Q438 PolarHBondContact O-N 3.43Å; E359-Q438 PolarHBondContact O-OE1 3.21Å; L361-Q438 HydrophobicContact CD1-CB 3.89Å; L361-Q438 HydrophobicContact CD1-CG 3.87Å; L361-Q438 HydrophobicContact CG-CB 4.11Å; L361-Q438 HydrophobicContact CG-CG 4.26Å; V414-Q438 CarbonylContact O-C 3.59Å; V414-Q438 WeakPolarHBondContact O-CA 3.45Å; V414-Q438 WeakPolarHBondContact O-CB 3.3Å; W415-Q438 HydrophobicContact CB-CG 4.06Å; T428-Q438 PolarHBondContact O-NE2 3.02Å; Q438-I440 HydrophobicContact CB-CD1 4.46Å
439	A	96	Very high	84	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.1	173.8	0	0	0	0	0	110.1	A262 Y356 T357 V414 Y441	A262-A439 HydrophobicContact CB-CB 4.44Å; Y356-A439 HydrophobicContact CD1-CB 4.4Å; Y356-A439 HydrophobicContact CD2-CB 3.69Å; Y356-A439 HydrophobicContact CE2-CB 4.05Å; Y356-A439 HydrophobicContact CG-CB 3.89Å; T357-A439 CarbonylContact O-C 3.51Å; T357-A439 WeakPolarHBondContact O-CA 3.35Å; V414-A439 HydrophobicContact CB-CB 4.22Å; V414-A439 PolarHBondContact N-O 3.23Å; V414-A439 PolarHBondContact O-N 3.33Å; A439-Y441 HydrophobicContact CB-CE2 4.08Å
440	I	95.8	Very high	84	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.5	-175.8	-55.1	-54.2	0	0	0	109.5	I317 Y356 T357 E359 L361 A411 A413 Q438 P442	I317-I440 HydrophobicContact CD1-CD1 4.26Å; I317-I440 HydrophobicContact CD1-CG1 4.4Å; I317-I440 HydrophobicContact CD1-CG2 3.8Å; I317-I440 HydrophobicContact CG1-CG2 4.28Å; I317-I440 HydrophobicContact CG2-CG2 3.8Å; Y356-I440 VanDerWaalsContact CA-O 3.25Å; Y356-I440 WeakPolarHBondContact CA-O 3.18Å; Y356-I440 WeakPolarHBondContact CB-O 3.1Å; T357-I440 PolarHBondContact N-O 2.88Å; T357-I440 PolarHBondContact O-N 3.2Å; E359-I440 HydrophobicContact CB-CD1 4.17Å; E359-I440 HydrophobicContact CB-CG1 3.65Å; E359-I440 HydrophobicContact CG-CG1 3.63Å; L361-I440 HydrophobicContact CD2-CD1 3.85Å; L361-I440 HydrophobicContact CG-CD1 4.33Å; A411-I440 HydrophobicContact CB-CG2 3.74Å; A413-I440 HydrophobicContact CB-CD1 4.22Å; Q438-I440 HydrophobicContact CB-CD1 4.46Å; I440-P442 WeakPolarHBondContact O-CD 3.39Å
441	Y	94.1	Very high	84.2	Confident	2 Å²	2	48 Å²	48	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	93.3	174	-62	-99.6	0	0	0	108.4	P355 Y356 A411 L412 V414 A439 L468 L470	P355-Y441 HydrophobicContact CB-CE1 4.44Å; P355-Y441 VanDerWaalsContact O-CD1 3.24Å; P355-Y441 WeakPolarHBondContact O-CD1 3.41Å; P355-Y441 WeakPolarHBondContact O-CE1 3.37Å; Y356-Y441 AromaticContact CD1-CE1 3.63Å; Y356-Y441 HydrophobicContact CD1-CE1 3.63Å; Y356-Y441 HydrophobicContact CD1-CE2 4.05Å; Y356-Y441 AromaticContact CD1-CZ 3.35Å; Y356-Y441 WeakPolarHBondContact CD1-OH 3.41Å; Y356-Y441 WeakPolarHBondContact CE1-OH 3.46Å; Y356-Y441 HydrophobicContact CG-CE1 4.32Å; Y356-Y441 HydrophobicContact CG-CE2 4.32Å; A411-Y441 CarbonylContact C-O 3.54Å; A411-Y441 VanDerWaalsContact CA-O 3.27Å; A411-Y441 WeakPolarHBondContact CA-O 3.33Å; A411-Y441 WeakPolarHBondContact CB-O 3.43Å; L412-Y441 PolarHBondContact N-O 2.94Å; L412-Y441 PolarHBondContact O-N 3.21Å; V414-Y441 HydrophobicContact CB-CD2 4.26Å; V414-Y441 HydrophobicContact CB-CE2 3.85Å; V414-Y441 HydrophobicContact CG1-CE2 4.36Å; V414-Y441 HydrophobicContact CG2-CD2 3.62Å; V414-Y441 HydrophobicContact CG2-CE2 3.52Å; A439-Y441 HydrophobicContact CB-CE2 4.08Å; Y441-L468 WeakPolarHBondContact CE1-O 3.27Å; Y441-L468 PolarHBondContact OH-O 2.97Å; Y441-L470 HydrophobicContact CD1-CB 4.08Å; Y441-L470 WeakPolarHBondContact CD1-O 3.47Å; Y441-L470 HydrophobicContact CD2-CB 4.31Å; Y441-L470 HydrophobicContact CD2-CD1 4.42Å; Y441-L470 HydrophobicContact CE1-CB 4.29Å; Y441-L470 HydrophobicContact CE1-CD1 4.19Å; Y441-L470 HydrophobicContact CE2-CD1 3.86Å; Y441-L470 HydrophobicContact CG-CB 4.08Å
442	P	91.8	Very high	84.6	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149.1	-178.3	26.7	-34.7	0	0	0	111.7	H321 V343 C345 I440 H444	H321-P442 HydrophobicContact CB-CB 3.75Å; H321-P442 HydrophobicContact CB-CG 4.34Å; H321-P442 VanDerWaalsContact CG-CB 3.46Å; V343-P442 HydrophobicContact CB-CG 4.17Å; V343-P442 HydrophobicContact CG1-CG 3.93Å; C345-P442 PolarHBondContact SG-O 2.7Å; I440-P442 WeakPolarHBondContact O-CD 3.39Å; P442-H444 PolarHBondContact O-ND1 2.96Å
443	V	87.9	Confident	85	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.079	24%	0.244	C	C	.	.			trans	-92.8	113.6	171.1	176.7	0	0	0	0	108.9	R322 L409 D410 C472	R322-V443 WeakPolarHBondContact CD-O 3.26Å; R322-V443 PolarHBondContact NE-O 3.1Å; L409-V443 HydrophobicContact CD1-CG2 4.38Å; L409-V443 HydrophobicContact CD2-CG2 4.04Å; L409-V443 HydrophobicContact CG-CG2 3.86Å; D410-V443 PolarHBondContact O-N 3.38Å; V443-C472 HydrophobicContact CG2-CB 4.05Å
444	H	75.9	Confident	85.8	Confident	30 Å²	30	44.6 Å²	44.6	14%	0.139	25%	0.25	C	C	.	.			trans	-86.3	-2.4	-175.1	-58.4	94.6	0	0	0	115.3	S341 V343 P442 A446	S341-H444 PolarHBondContact OG-NE2 3.45Å; V343-H444 PolarHBondContact O-CE1 3.14Å; V343-H444 PolarHBondContact O-NE2 3.17Å; P442-H444 PolarHBondContact O-ND1 2.96Å; H444-A446 PolarHBondContact O-N 3.26Å
445	S	71.4	Confident	86.6	Confident	18 Å²	18	43.6 Å²	43.6	13%	0.126	24%	0.243	C	C	.	.			trans	-51.8	127	-178.4	-170	0	0	0	0	110.9	R322 M447 L484	R322-S445 VanDerWaalsContact CD-O 3.32Å; R322-S445 WeakPolarHBondContact CD-O 3.49Å; R322-S445 PolarHBondContact NH1-O 3.2Å; S445-M447 PolarHBondContact O-N 3.26Å; S445-M447 VanDerWaalsContact O-N 3.08Å; S445-L484 PolarHBondContact OG-O 3.05Å
446	A	61	Low	87.5	Confident	88 Å²	88	45.9 Å²	45.9	73%	0.727	25%	0.252	S	S	*	.	S	Bend	trans	-61.6	-17	-177.4	0	0	0	0	0	113.2	H444	H444-A446 PolarHBondContact O-N 3.26Å
447	M	66.3	Low	88	Confident	153 Å²	153	44.5 Å²	44.5	75%	0.754	25%	0.247	S	C	*	.	S	Bend	trans	-108.7	130.8	172.6	-68.4	-166.6	142.1	0	0	110.5	S445 F449	S445-M447 PolarHBondContact O-N 3.26Å; S445-M447 VanDerWaalsContact O-N 3.08Å; M447-F449 PolarHBondContact O-N 3.01Å
448	S	77.1	Confident	88.1	Confident	65 Å²	65	41.3 Å²	41.3	46%	0.455	23%	0.233	S	C	.	.			trans	-47.4	125.5	162	174.5	0	0	0	0	110.6	E408	E408-S448 VanDerWaalsContact CG-OG 3.31Å; E408-S448 WeakPolarHBondContact CG-OG 3.48Å; E408-S448 WeakPolarHBondContact OE1-CB 3.36Å; E408-S448 PolarHBondContact OE1-OG 3.25Å; E408-S448 PolarHBondContact OE2-OG 3.01Å
449	F	87.6	Confident	88	Confident	37 Å²	37	41.2 Å²	41.2	16%	0.162	23%	0.232	C	C	.	.			trans	-112.7	114.1	174.9	-162.9	-79.4	0	0	0	110.1	L409 M447 L451 V475 I482 L484	L409-F449 PolarHBondContact N-O 3.46Å; M447-F449 PolarHBondContact O-N 3.01Å; F449-L451 HydrophobicContact CD1-CD2 3.83Å; F449-L451 HydrophobicContact CD1-CG 4.42Å; F449-L451 HydrophobicContact CE1-CD2 3.82Å; F449-V475 HydrophobicContact CD1-CG2 4.08Å; F449-V475 HydrophobicContact CE1-CB 3.86Å; F449-V475 HydrophobicContact CE1-CG1 4.01Å; F449-V475 HydrophobicContact CE1-CG2 3.52Å; F449-V475 HydrophobicContact CZ-CB 3.84Å; F449-V475 HydrophobicContact CZ-CG1 4.25Å; F449-V475 HydrophobicContact CZ-CG2 3.87Å; F449-I482 HydrophobicContact CE2-CG2 3.85Å; F449-I482 HydrophobicContact CZ-CD1 4.43Å; F449-I482 HydrophobicContact CZ-CG2 4.25Å; F449-L484 HydrophobicContact CB-CD2 3.88Å; F449-L484 HydrophobicContact CD1-CD2 3.91Å; F449-L484 HydrophobicContact CD2-CD2 3.33Å; F449-L484 HydrophobicContact CE1-CD2 4.31Å; F449-L484 HydrophobicContact CE2-CD2 3.76Å; F449-L484 HydrophobicContact CG-CD2 3.4Å; F449-L484 HydrophobicContact CZ-CD2 4.23Å
450	V	93.6	Very high	87.8	Confident	62 Å²	62	43.7 Å²	43.7	38%	0.376	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.4	176.8	-177.6	0	0	0	0	109.7	E406 G407 R477	E406-V450 HydrophobicContact CG-CG1 4.18Å; G407-V450 CarbonylContact O-C 3.47Å; G407-V450 WeakPolarHBondContact O-CA 3.32Å; V450-R477 PolarHBondContact O-NH2 3.2Å
451	L	94.6	Very high	87.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.6	170.1	-62.7	179.7	0	0	0	109.9	L371 V403 E406 G407 L409 F449 L457 V475	L371-L451 HydrophobicContact CB-CD1 4.27Å; L371-L451 HydrophobicContact CD1-CD1 3.88Å; V403-L451 HydrophobicContact CG1-CB 3.85Å; V403-L451 HydrophobicContact CG2-CB 4.08Å; V403-L451 HydrophobicContact CG2-CD1 3.97Å; V403-L451 HydrophobicContact CG2-CD2 4.26Å; V403-L451 HydrophobicContact CG2-CG 4.35Å; E406-L451 WeakPolarHBondContact CA-O 3.38Å; E406-L451 WeakPolarHBondContact CG-O 3.33Å; G407-L451 PolarHBondContact N-O 2.89Å; G407-L451 VanDerWaalsContact N-O 3.11Å; G407-L451 PolarHBondContact O-N 2.93Å; L409-L451 HydrophobicContact CB-CD1 4.03Å; L409-L451 HydrophobicContact CB-CG 4.14Å; L409-L451 HydrophobicContact CD1-CD1 4.11Å; L409-L451 HydrophobicContact CD2-CD1 4.44Å; L409-L451 HydrophobicContact CG-CD1 4.42Å; F449-L451 HydrophobicContact CD1-CD2 3.83Å; F449-L451 HydrophobicContact CD1-CG 4.42Å; F449-L451 HydrophobicContact CE1-CD2 3.82Å; L451-L457 HydrophobicContact CD1-CD2 4.48Å; L451-V475 HydrophobicContact CD2-CB 4.44Å; L451-V475 HydrophobicContact CD2-CG1 3.99Å; L451-V475 HydrophobicContact CD2-CG2 3.54Å
452	K	95.1	Very high	87.3	Confident	96 Å²	96	44.2 Å²	44.2	42%	0.417	25%	0.247	S	C	.	.			trans	-124.4	151.5	178	-64.8	-177	179.3	-174.2	0	110.2	V403 E406 L454 D455	V403-K452 WeakPolarHBondContact CB-O 3.33Å; V403-K452 VanDerWaalsContact CG1-O 3.29Å; V403-K452 WeakPolarHBondContact CG1-O 3.41Å; E406-K452 HydrophobicContact CG-CG 4.5Å; K452-L454 PolarHBondContact O-N 3.31Å; K452-D455 PolarHBondContact N-OD2 3.19Å; K452-D455 WeakPolarHBondContact O-CB 3.36Å; K452-D455 VanDerWaalsContact O-CG 3.26Å; K452-D455 PolarHBondContact O-N 3.26Å
453	P	94.8	Very high	87	Confident	65 Å²	65	44.5 Å²	44.5	42%	0.422	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	141.1	170	-25.7	34.4	0	0	0	110.8	D455	P453-D455 VanDerWaalsContact C-N 3.29Å
454	L	91.2	Very high	86.6	Confident	161 Å²	161	50 Å²	50	84%	0.843	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-9.1	-172.8	-48.6	170.5	0	0	0	116	V403 K452	V403-L454 PolarHBondContact O-N 3.22Å; K452-L454 PolarHBondContact O-N 3.31Å
455	D	96.1	Very high	86.5	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.027	27%	0.27	C	S	.	.			trans	-65.2	150.1	165	-69.5	-19.6	0	0	0	110.1	V403 K452 P453 V475 L476 R477	V403-D455 HydrophobicContact CB-CB 4.11Å; V403-D455 WeakPolarHBondContact CB-O 3.48Å; V403-D455 HydrophobicContact CG2-CB 3.81Å; V403-D455 WeakPolarHBondContact CG2-O 3.4Å; V403-D455 PolarHBondContact N-O 3.45Å; K452-D455 PolarHBondContact N-OD2 3.19Å; K452-D455 WeakPolarHBondContact O-CB 3.36Å; K452-D455 VanDerWaalsContact O-CG 3.26Å; K452-D455 PolarHBondContact O-N 3.26Å; P453-D455 VanDerWaalsContact C-N 3.29Å; D455-V475 HydrophobicContact CB-CG1 3.75Å; D455-L476 WeakPolarHBondContact CA-O 3.21Å; D455-R477 WeakPolarHBondContact OD1-CB 3.35Å; D455-R477 VanDerWaalsContact OD1-CG 3.23Å; D455-R477 WeakPolarHBondContact OD1-CG 3.39Å; D455-R477 IonicContact OD1-CZ 3.52Å; D455-R477 IonicContact OD1-NE 3.81Å; D455-R477 PolarHBondContact OD1-NE 2.88Å; D455-R477 IonicContact OD1-NH2 3.32Å; D455-R477 IonicContact OD2-CZ 2.64Å; D455-R477 IonicContact OD2-NE 2.86Å; D455-R477 PolarHBondContact OD2-NE 3.21Å; D455-R477 IonicContact OD2-NH2 2.76Å; D455-R477 PolarHBondContact OD2-NH2 3.3Å
456	E	95.5	Very high	86.7	Confident	63 Å²	63	49.7 Å²	49.7	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.4	164.6	-54.8	-174.8	136.4	0	0	109.7	R400 L401 V475 L476	R400-E456 IonicContact NH1-OE2 3.06Å; L401-E456 WeakPolarHBondContact O-CA 3.29Å; E456-V475 CarbonylContact O-C 3.56Å; E456-V475 WeakPolarHBondContact O-CA 3.33Å; E456-L476 HydrophobicContact CB-CB 4.15Å; E456-L476 PolarHBondContact N-O 3.37Å; E456-L476 PolarHBondContact O-N 2.99Å; E456-L476 WeakPolarHBondContact OE2-CD2 3.44Å
457	L	95	Very high	87.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.2	173.1	177.7	67.6	0	0	0	109.5	A311 R400 L401 L409 L412 L451 V459 C472 V475 L484	A311-L457 HydrophobicContact CB-CD2 3.74Å; R400-L457 CarbonylContact C-O 3.51Å; R400-L457 WeakPolarHBondContact CA-O 3.18Å; L401-L457 HydrophobicContact CB-CB 4.27Å; L401-L457 HydrophobicContact CD1-CD2 4.22Å; L401-L457 PolarHBondContact N-O 3.18Å; L401-L457 PolarHBondContact O-N 3.19Å; L409-L457 HydrophobicContact CD1-CD2 4.2Å; L409-L457 HydrophobicContact CD2-CD1 3.83Å; L409-L457 HydrophobicContact CD2-CD2 4.36Å; L412-L457 HydrophobicContact CD2-CD2 4.18Å; L451-L457 HydrophobicContact CD1-CD2 4.48Å; L457-V459 HydrophobicContact CD2-CG2 4.05Å; L457-V459 HydrophobicContact CG-CG2 3.98Å; L457-C472 HydrophobicContact CD1-CB 4.26Å; L457-V475 HydrophobicContact CD1-CG2 3.82Å; L457-L484 HydrophobicContact CD1-CD1 3.94Å
458	I	94.3	Very high	88.8	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.7	178.9	-60.4	177.3	0	0	0	108.5	E398 M399 V473 A474 K481	E398-I458 VanDerWaalsContact CD-CG2 3.41Å; E398-I458 HydrophobicContact CG-CG2 3.36Å; M399-I458 WeakPolarHBondContact O-CA 3.04Å; I458-V473 PolarHBondContact O-N 3.17Å; I458-A474 WeakPolarHBondContact CA-O 3.44Å; I458-A474 HydrophobicContact CB-CB 4.2Å; I458-A474 WeakPolarHBondContact CB-O 3.33Å; I458-A474 HydrophobicContact CD1-CB 4.07Å; I458-A474 PolarHBondContact N-O 2.81Å; I458-A474 PolarHBondContact O-N 3.5Å; I458-K481 HydrophobicContact CD1-CD 3.82Å; I458-K481 VanDerWaalsContact CD1-CE 3.49Å; I458-K481 HydrophobicContact CD1-CG 4.03Å
459	V	92.9	Very high	89.4	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.9	-179.8	174.5	0	0	0	0	110.2	M399 L401 L412 L457 V461 L470 S471	M399-V459 PolarHBondContact N-O 2.97Å; M399-V459 PolarHBondContact O-N 3.11Å; L401-V459 HydrophobicContact CD1-CB 4.04Å; L401-V459 HydrophobicContact CD1-CG2 3.36Å; L401-V459 HydrophobicContact CG-CG2 4.4Å; L412-V459 HydrophobicContact CD1-CB 4.49Å; L412-V459 HydrophobicContact CD1-CG1 3.67Å; L412-V459 HydrophobicContact CD1-CG2 3.93Å; L412-V459 HydrophobicContact CD2-CG2 4.12Å; L457-V459 HydrophobicContact CD2-CG2 4.05Å; L457-V459 HydrophobicContact CG-CG2 3.98Å; V459-V461 HydrophobicContact CG1-CG2 4.33Å; V459-L470 HydrophobicContact CG1-CB 4.38Å; V459-L470 HydrophobicContact CG1-CD2 4.28Å; V459-S471 CarbonylContact C-O 3.52Å; V459-S471 VanDerWaalsContact CA-O 3.23Å; V459-S471 WeakPolarHBondContact CA-O 3.49Å
460	E	92.4	Very high	89.5	Confident	51 Å²	51	38.1 Å²	38.1	24%	0.238	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.7	170.5	-77.4	-179.4	-175.8	0	0	110.1	V396 R397 L470 S471 V473	V396-E460 HydrophobicContact CG1-CB 3.58Å; V396-E460 HydrophobicContact CG1-CG 3.73Å; R397-E460 WeakPolarHBondContact O-CA 3.31Å; E460-L470 VanDerWaalsContact O-CA 3.32Å; E460-L470 WeakPolarHBondContact O-CA 3.28Å; E460-S471 PolarHBondContact N-O 3.34Å; E460-S471 PolarHBondContact O-N 3.34Å; E460-V473 HydrophobicContact CB-CG2 4Å; E460-V473 HydrophobicContact CG-CG2 3.64Å
461	V	90.9	Very high	89.2	Confident	9 Å²	9	36 Å²	36	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.6	176	-172.3	0	0	0	0	109	A377 R397 M399 V459 L468 R469 L470	A377-V461 HydrophobicContact CB-CG2 4.43Å; R397-V461 PolarHBondContact N-O 2.95Å; R397-V461 PolarHBondContact O-N 3.3Å; M399-V461 HydrophobicContact CG-CG2 4.32Å; M399-V461 HydrophobicContact SD-CG2 3.73Å; V459-V461 HydrophobicContact CG1-CG2 4.33Å; V461-L468 HydrophobicContact CG1-CD1 3.91Å; V461-R469 WeakPolarHBondContact CA-O 3.16Å; V461-L470 HydrophobicContact CG1-CG 4.48Å; V461-L470 HydrophobicContact CG2-CD2 4.37Å; V461-L470 HydrophobicContact CG2-CG 4.22Å
462	S	88.3	Confident	88.8	Confident	5 Å²	5	36.7 Å²	36.7	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.6	-179.5	-176.1	0	0	0	0	111.3	R469	S462-R469 PolarHBondContact N-O 3.03Å; S462-R469 PolarHBondContact O-N 3.06Å
463	C	84.9	Confident	88.4	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.061	17%	0.168	C	C	.	.			trans	-133.3	22.6	174.6	-54.7	0	0	0	0	112.4	D465 A466 Y467	C463-D465 VanDerWaalsContact C-N 3.32Å; C463-D465 PolarHBondContact O-N 3.35Å; C463-A466 PolarHBondContact O-N 2.82Å; C463-Y467 VanDerWaalsContact CA-O 3.32Å; C463-Y467 WeakPolarHBondContact CA-O 3.34Å
464	R	79.4	Confident	88.1	Confident	129 Å²	129	30.5 Å²	30.5	49%	0.487	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.1	-165.9	-75.4	-179.7	173.7	177.9	-2.8	114.5	T392 R394	T392-R464 WeakPolarHBondContact CB-O 3.39Å; T392-R464 WeakPolarHBondContact O-CA 3.39Å; R394-R464 PolarHBondContact O-NE 3.5Å
465	D	75.1	Confident	88.2	Confident	33 Å²	33	22.9 Å²	22.9	18%	0.176	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	23	-177.1	59.9	-18.7	0	0	0	112.3	Q349 C463 Y467 R469	Q349-D465 HydrophobicContact CG-CB 4.37Å; C463-D465 VanDerWaalsContact C-N 3.32Å; C463-D465 PolarHBondContact O-N 3.35Å; D465-Y467 WeakPolarHBondContact O-CD2 3.37Å; D465-Y467 PolarHBondContact O-N 3.25Å; D465-Y467 VanDerWaalsContact O-N 3.1Å; D465-Y467 PolarHBondContact OD1-N 3.28Å; D465-R469 IonicContact OD1-NE 2.62Å; D465-R469 IonicContact OD2-CZ 2.79Å; D465-R469 IonicContact OD2-NE 2.71Å; D465-R469 PolarHBondContact OD2-NE 3.25Å; D465-R469 IonicContact OD2-NH2 3.78Å; D465-R469 PolarHBondContact OD2-NH2 3.31Å
466	A	75.3	Confident	88.1	Confident	9 Å²	9	24.5 Å²	24.5	7%	0.074	12%	0.117	C	C	.	.	S	Bend	trans	62.4	5.4	-172	0	0	0	0	0	114.9	F265 E271 T392 C463	F265-A466 VanDerWaalsContact CB-O 3.23Å; F265-A466 WeakPolarHBondContact CB-O 3.47Å; E271-A466 WeakPolarHBondContact OE1-CB 3.21Å; T392-A466 HydrophobicContact CG2-CB 4.45Å; C463-A466 PolarHBondContact O-N 2.82Å
467	Y	81.9	Confident	88	Confident	91 Å²	91	24.2 Å²	24.2	36%	0.357	11%	0.113	S	C	.	.	S	Bend	trans	-102.7	150.3	168.1	-75.7	-96	0	0	0	111.4	P355 C463 D465	P355-Y467 HydrophobicContact CG-CD1 4.04Å; C463-Y467 VanDerWaalsContact CA-O 3.32Å; C463-Y467 WeakPolarHBondContact CA-O 3.34Å; D465-Y467 WeakPolarHBondContact O-CD2 3.37Å; D465-Y467 PolarHBondContact O-N 3.25Å; D465-Y467 VanDerWaalsContact O-N 3.1Å; D465-Y467 PolarHBondContact OD1-N 3.28Å
468	L	88.3	Confident	87.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-79.5	120.7	169.6	-179.2	66	0	0	0	109	F265 V307 V414 Y441 V461 L470	F265-L468 HydrophobicContact CD2-CB 3.92Å; F265-L468 HydrophobicContact CE2-CB 4.3Å; V307-L468 HydrophobicContact CG1-CD2 3.67Å; V414-L468 HydrophobicContact CG1-CD2 3.88Å; Y441-L468 WeakPolarHBondContact CE1-O 3.27Å; Y441-L468 PolarHBondContact OH-O 2.97Å; V461-L468 HydrophobicContact CG1-CD1 3.91Å; L468-L470 HydrophobicContact CD1-CD1 3.77Å; L468-L470 HydrophobicContact CD2-CD1 3.76Å; L468-L470 HydrophobicContact CG-CD1 3.47Å; L468-L470 VanDerWaalsContact CG-CD1 3.47Å
469	R	89.5	Confident	87.3	Confident	8 Å²	8	34.1 Å²	34.1	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.3	175.1	-60.1	-168.6	178.2	-102.4	2.3	110.5	S344 S346 P355 V461 S462 D465	S344-R469 PolarHBondContact O-NH1 2.76Å; S346-R469 WeakPolarHBondContact O-CD 3.48Å; P355-R469 HydrophobicContact CB-CG 4.23Å; V461-R469 WeakPolarHBondContact CA-O 3.16Å; S462-R469 PolarHBondContact N-O 3.03Å; S462-R469 PolarHBondContact O-N 3.06Å; D465-R469 IonicContact OD1-NE 2.62Å; D465-R469 IonicContact OD2-CZ 2.79Å; D465-R469 IonicContact OD2-NE 2.71Å; D465-R469 PolarHBondContact OD2-NE 3.25Å; D465-R469 IonicContact OD2-NH2 3.78Å; D465-R469 PolarHBondContact OD2-NH2 3.31Å
470	L	90.2	Very high	87.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.2	174.5	-73.7	84.3	0	0	0	109.9	C309 A377 L412 V414 Y441 V459 E460 V461 L468	C309-L470 HydrophobicContact CB-CD2 3.71Å; A377-L470 HydrophobicContact CB-CD2 4.49Å; L412-L470 HydrophobicContact CD1-CB 3.8Å; L412-L470 HydrophobicContact CD1-CD2 4.18Å; V414-L470 HydrophobicContact CG2-CD1 4.17Å; V414-L470 HydrophobicContact CG2-CD2 3.84Å; Y441-L470 HydrophobicContact CD1-CB 4.08Å; Y441-L470 WeakPolarHBondContact CD1-O 3.47Å; Y441-L470 HydrophobicContact CD2-CB 4.31Å; Y441-L470 HydrophobicContact CD2-CD1 4.42Å; Y441-L470 HydrophobicContact CE1-CB 4.29Å; Y441-L470 HydrophobicContact CE1-CD1 4.19Å; Y441-L470 HydrophobicContact CE2-CD1 3.86Å; Y441-L470 HydrophobicContact CG-CB 4.08Å; V459-L470 HydrophobicContact CG1-CB 4.38Å; V459-L470 HydrophobicContact CG1-CD2 4.28Å; E460-L470 VanDerWaalsContact O-CA 3.32Å; E460-L470 WeakPolarHBondContact O-CA 3.28Å; V461-L470 HydrophobicContact CG1-CG 4.48Å; V461-L470 HydrophobicContact CG2-CD2 4.37Å; V461-L470 HydrophobicContact CG2-CG 4.22Å; L468-L470 HydrophobicContact CD1-CD1 3.77Å; L468-L470 HydrophobicContact CD2-CD1 3.76Å; L468-L470 HydrophobicContact CG-CD1 3.47Å; L468-L470 VanDerWaalsContact CG-CD1 3.47Å
471	S	88.6	Confident	87.1	Confident	17 Å²	17	42.1 Å²	42.1	12%	0.119	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.5	178.2	80.7	0	0	0	0	111.6	C345 V459 E460 V473	C345-S471 WeakPolarHBondContact O-CB 3.23Å; V459-S471 CarbonylContact C-O 3.52Å; V459-S471 VanDerWaalsContact CA-O 3.23Å; V459-S471 WeakPolarHBondContact CA-O 3.49Å; E460-S471 PolarHBondContact N-O 3.34Å; E460-S471 PolarHBondContact O-N 3.34Å; S471-V473 PolarHBondContact O-N 2.69Å; S471-V473 WeakPolarHBondContact OG-CG2 3.12Å
472	C	85.9	Confident	87.1	Confident	15 Å²	15	44.7 Å²	44.7	10%	0.101	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	108.4	171.5	-68.3	0	0	0	0	109	L409 L412 V443 L457 L484	L409-C472 HydrophobicContact CD2-CB 4.17Å; L412-C472 VanDerWaalsContact CG-SG 3.51Å; V443-C472 HydrophobicContact CG2-CB 4.05Å; L457-C472 HydrophobicContact CD1-CB 4.26Å; C472-L484 HydrophobicContact CB-CD1 3.65Å
473	V	85.4	Confident	87	Confident	32 Å²	32	51 Å²	51	19%	0.194	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-40.9	-171	-176.7	0	0	0	0	112.2	I458 E460 S471 Y483 L484	I458-V473 PolarHBondContact O-N 3.17Å; E460-V473 HydrophobicContact CB-CG2 4Å; E460-V473 HydrophobicContact CG-CG2 3.64Å; S471-V473 PolarHBondContact O-N 2.69Å; S471-V473 WeakPolarHBondContact OG-CG2 3.12Å; V473-Y483 HydrophobicContact CG1-CD1 4.27Å; V473-Y483 HydrophobicContact CG1-CE1 4.48Å; V473-L484 PolarHBondContact O-N 2.93Å
474	A	89.9	Confident	86.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	166.9	-175.6	0	0	0	0	0	112.5	I458 K481 I482 Y483	I458-A474 WeakPolarHBondContact CA-O 3.44Å; I458-A474 HydrophobicContact CB-CB 4.2Å; I458-A474 WeakPolarHBondContact CB-O 3.33Å; I458-A474 HydrophobicContact CD1-CB 4.07Å; I458-A474 PolarHBondContact N-O 2.81Å; I458-A474 PolarHBondContact O-N 3.5Å; A474-K481 HydrophobicContact CB-CD 4.23Å; A474-K481 HydrophobicContact CB-CG 3.68Å; A474-I482 CarbonylContact C-O 3.51Å; A474-I482 WeakPolarHBondContact CA-O 3.27Å; A474-I482 WeakPolarHBondContact CB-O 3.39Å; A474-Y483 HydrophobicContact CB-CD1 4.01Å; A474-Y483 HydrophobicContact CB-CE1 4.39Å
475	V	92.4	Very high	86.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127	171.1	179.8	0	0	0	0	108.6	F449 L451 D455 E456 L457 I482 L484	F449-V475 HydrophobicContact CD1-CG2 4.08Å; F449-V475 HydrophobicContact CE1-CB 3.86Å; F449-V475 HydrophobicContact CE1-CG1 4.01Å; F449-V475 HydrophobicContact CE1-CG2 3.52Å; F449-V475 HydrophobicContact CZ-CB 3.84Å; F449-V475 HydrophobicContact CZ-CG1 4.25Å; F449-V475 HydrophobicContact CZ-CG2 3.87Å; L451-V475 HydrophobicContact CD2-CB 4.44Å; L451-V475 HydrophobicContact CD2-CG1 3.99Å; L451-V475 HydrophobicContact CD2-CG2 3.54Å; D455-V475 HydrophobicContact CB-CG1 3.75Å; E456-V475 CarbonylContact O-C 3.56Å; E456-V475 WeakPolarHBondContact O-CA 3.33Å; L457-V475 HydrophobicContact CD1-CG2 3.82Å; V475-I482 PolarHBondContact N-O 2.87Å; V475-I482 PolarHBondContact O-N 2.94Å; V475-L484 HydrophobicContact CG2-CD1 4.19Å; V475-L484 HydrophobicContact CG2-CD2 4Å; V475-L484 HydrophobicContact CG2-CG 4.28Å
476	L	94.3	Very high	85.1	Confident	39 Å²	39	56.7 Å²	56.7	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.3	171.6	-170	72.6	0	0	0	108.8	D455 E456 H480 K481	D455-L476 WeakPolarHBondContact CA-O 3.21Å; E456-L476 HydrophobicContact CB-CB 4.15Å; E456-L476 PolarHBondContact N-O 3.37Å; E456-L476 PolarHBondContact O-N 2.99Å; E456-L476 WeakPolarHBondContact OE2-CD2 3.44Å; L476-H480 WeakPolarHBondContact CA-O 3.45Å; L476-K481 HydrophobicContact CD1-CB 4.32Å
477	R	93.6	Very high	83.6	Confident	57 Å²	57	63.8 Å²	63.8	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.7	177.7	-179.1	174.5	-67.6	163	-0.3	109.4	V450 D455 G479 H480 I482	V450-R477 PolarHBondContact O-NH2 3.2Å; D455-R477 WeakPolarHBondContact OD1-CB 3.35Å; D455-R477 VanDerWaalsContact OD1-CG 3.23Å; D455-R477 WeakPolarHBondContact OD1-CG 3.39Å; D455-R477 IonicContact OD1-CZ 3.52Å; D455-R477 IonicContact OD1-NE 3.81Å; D455-R477 PolarHBondContact OD1-NE 2.88Å; D455-R477 IonicContact OD1-NH2 3.32Å; D455-R477 IonicContact OD2-CZ 2.64Å; D455-R477 IonicContact OD2-NE 2.86Å; D455-R477 PolarHBondContact OD2-NE 3.21Å; D455-R477 IonicContact OD2-NH2 2.76Å; D455-R477 PolarHBondContact OD2-NH2 3.3Å; R477-G479 PolarHBondContact O-N 2.77Å; R477-G479 VanDerWaalsContact O-N 3.11Å; R477-H480 PolarHBondContact N-O 3.38Å; R477-H480 WeakPolarHBondContact O-CB 3.45Å; R477-H480 PolarHBondContact O-N 3.19Å; R477-I482 HydrophobicContact CB-CD1 4.13Å
478	D	89.1	Confident	81	Confident	149 Å²	149	67.5 Å²	67.5	80%	0.797	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.2	-178.6	-57.5	-44.7	0	0	0	113.8	H480	D478-H480 VanDerWaalsContact C-N 3.32Å; D478-H480 PolarHBondContact O-N 2.79Å
479	G	85.3	Confident	78	Confident	63 Å²	63	75.1 Å²	75.1	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	1	-177.4	0	0	0	0	0	115.4	R477	R477-G479 PolarHBondContact O-N 2.77Å; R477-G479 VanDerWaalsContact O-N 3.11Å
480	H	90.3	Very high	75	Confident	140 Å²	140	83.8 Å²	83.8	65%	0.648	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.3	175.1	-64.6	-76.9	0	0	0	111.4	L476 R477 D478	L476-H480 WeakPolarHBondContact CA-O 3.45Å; R477-H480 PolarHBondContact N-O 3.38Å; R477-H480 WeakPolarHBondContact O-CB 3.45Å; R477-H480 PolarHBondContact O-N 3.19Å; D478-H480 VanDerWaalsContact C-N 3.32Å; D478-H480 PolarHBondContact O-N 2.79Å
481	K	91.8	Very high	72.1	Confident	79 Å²	79	89.2 Å²	89.2	34%	0.343	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.7	176.4	-170.9	168	-179.9	169.8	0	109.5	E398 I458 A474 L476 Y483	E398-K481 IonicContact OE2-NZ 2.69Å; E398-K481 PolarHBondContact OE2-NZ 2.95Å; I458-K481 HydrophobicContact CD1-CD 3.82Å; I458-K481 VanDerWaalsContact CD1-CE 3.49Å; I458-K481 HydrophobicContact CD1-CG 4.03Å; A474-K481 HydrophobicContact CB-CD 4.23Å; A474-K481 HydrophobicContact CB-CG 3.68Å; L476-K481 HydrophobicContact CD1-CB 4.32Å; K481-Y483 HydrophobicContact CD-CE1 4.28Å; K481-Y483 HydrophobicContact CG-CE2 4.46Å
482	I	90.3	Very high	69.2	Low	63 Å²	63	96.6 Å²	96.6	32%	0.323	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.3	179.3	-54	169.9	0	0	0	107.8	F449 A474 V475 R477	F449-I482 HydrophobicContact CE2-CG2 3.85Å; F449-I482 HydrophobicContact CZ-CD1 4.43Å; F449-I482 HydrophobicContact CZ-CG2 4.25Å; A474-I482 CarbonylContact C-O 3.51Å; A474-I482 WeakPolarHBondContact CA-O 3.27Å; A474-I482 WeakPolarHBondContact CB-O 3.39Å; V475-I482 PolarHBondContact N-O 2.87Å; V475-I482 PolarHBondContact O-N 2.94Å; R477-I482 HydrophobicContact CB-CD1 4.13Å
483	Y	86.7	Confident	66.5	Low	137 Å²	137	100.9 Å²	100.9	54%	0.537	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.8	178.7	-66.7	-82	0	0	0	111.5	V473 A474 K481	V473-Y483 HydrophobicContact CG1-CD1 4.27Å; V473-Y483 HydrophobicContact CG1-CE1 4.48Å; A474-Y483 HydrophobicContact CB-CD1 4.01Å; A474-Y483 HydrophobicContact CB-CE1 4.39Å; K481-Y483 HydrophobicContact CD-CE1 4.28Å; K481-Y483 HydrophobicContact CG-CE2 4.46Å
484	L	80.4	Confident	63.8	Low	8 Å²	8	109.4 Å²	109.4	4%	0.042	55%	0.548	C	S	.	.	S	Bend	trans	-83.3	-33.2	-177.2	-68.1	173.7	0	0	0	112.4	L409 S445 F449 L457 C472 V473 V475	L409-L484 HydrophobicContact CD2-CD1 3.86Å; S445-L484 PolarHBondContact OG-O 3.05Å; F449-L484 HydrophobicContact CB-CD2 3.88Å; F449-L484 HydrophobicContact CD1-CD2 3.91Å; F449-L484 HydrophobicContact CD2-CD2 3.33Å; F449-L484 HydrophobicContact CE1-CD2 4.31Å; F449-L484 HydrophobicContact CE2-CD2 3.76Å; F449-L484 HydrophobicContact CG-CD2 3.4Å; F449-L484 HydrophobicContact CZ-CD2 4.23Å; L457-L484 HydrophobicContact CD1-CD1 3.94Å; C472-L484 HydrophobicContact CB-CD1 3.65Å; V473-L484 PolarHBondContact O-N 2.93Å; V475-L484 HydrophobicContact CG2-CD1 4.19Å; V475-L484 HydrophobicContact CG2-CD2 4Å; V475-L484 HydrophobicContact CG2-CG 4.28Å
485	D	67.1	Low	60.7	Low	84 Å²	84	118.4 Å²	118.4	45%	0.449	59%	0.588	S	S	.	*	S	Bend	trans	-103.9	113.5	168.9	-86	-20.6	0	0	0	109.6	R487	D485-R487 PolarHBondContact O-N 3.29Å
486	K	50.7	Low	57.6	Low	199 Å²	199	124.4 Å²	124.4	87%	0.865	63%	0.627	S	S	*	*			trans	-75.9	70.7	165	-70.9	-177.4	-179.8	175	0	109	M488	K486-M488 PolarHBondContact O-N 2.9Å; K486-M488 VanDerWaalsContact O-N 3.08Å
487	R	44.2	Very low	54.5	Low	159 Å²	159	130.2 Å²	130.2	60%	0.6	66%	0.656	S	S	*	*			trans	-62.2	110.5	151.8	-74.3	-168.7	-171.4	-167.9	2.7	104.6	E348 D485 D489	E348-R487 IonicContact OE1-NH1 3.3Å; E348-R487 IonicContact OE2-CZ 3.48Å; E348-R487 IonicContact OE2-NH1 2.74Å; E348-R487 PolarHBondContact OE2-NH1 3.36Å; E348-R487 IonicContact OE2-NH2 3.23Å; E348-R487 PolarHBondContact OE2-NH2 3.33Å; D485-R487 PolarHBondContact O-N 3.29Å; R487-D489 PolarHBondContact O-N 3.18Å
488	M	27.6	Very low	51.6	Low	169 Å²	169	132.7 Å²	132.7	83%	0.833	68%	0.68	S	S	*	*			trans	-51.1	114.8	172.8	-80.6	-91.1	-159.8	0	0	107.9	K486 F490	K486-M488 PolarHBondContact O-N 2.9Å; K486-M488 VanDerWaalsContact O-N 3.08Å; M488-F490 PolarHBondContact O-N 3.38Å
489	D	25.3	Very low	48.9	Very low	160 Å²	160	133 Å²	133	86%	0.856	68%	0.681	S	S	*	*			trans	-53.8	106.6	173.7	-74.1	-49.3	0	0	0	109.7	R487	R487-D489 PolarHBondContact O-N 3.18Å
490	F	25.7	Very low	46.8	Very low	190 Å²	190	135.2 Å²	135.2	83%	0.833	68%	0.684	S	S	*	*			trans	-85.2	121.9	152.2	-80.1	-78.1	0	0	0	107.1	M488 N492	M488-F490 PolarHBondContact O-N 3.38Å; F490-N492 PolarHBondContact O-N 3.18Å
491	P	29.1	Very low	44.3	Very low	114 Å²	114	132.9 Å²	132.9	74%	0.74	68%	0.676	S	S	*	*			trans	-63	125.9	-176.1	22.4	-29.9	0	0	0	110.5	S493	P491-S493 PolarHBondContact O-N 3.36Å
492	N	28.4	Very low	41.9	Very low	171 Å²	171	133.7 Å²	133.7	91%	0.914	69%	0.689	S	S	*	*			trans	-44.8	104	170	-89.8	-29.7	0	0	0	111.8	F490	F490-N492 PolarHBondContact O-N 3.18Å
493	S	29.1	Very low	39.4	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	71%	0.706	S	S	*	*			trans	-141.7	66.2	159.3	76.8	0	0	0	0	111.2	P491	P491-S493 PolarHBondContact O-N 3.36Å
494	F	27.9	Very low	37.4	Very low	210 Å²	210	135.6 Å²	135.6	92%	0.921	71%	0.709	S	S	*	*			trans	-110.1	107.1	159.6	-86.1	-82.2	0	0	0	109.3
495	K	25.2	Very low	35.6	Very low	190 Å²	190	141.4 Å²	141.4	83%	0.826	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-70.7	138.8	164.3	-75.5	-178.8	177	178	0	108.2	I497	K495-I497 PolarHBondContact O-N 2.97Å
496	P	27.5	Very low	34.2	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.7	178.3	27.3	-31.3	0	0	0	110.1
497	I	29.7	Very low	33.4	Very low	161 Å²	161	137.8 Å²	137.8	83%	0.826	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-89.1	133.7	166.5	-58.7	174.3	0	0	0	107.2	K495	K495-I497 PolarHBondContact O-N 2.97Å
498	P	32.5	Very low	33.2	Very low	109 Å²	109	133.5 Å²	133.5	71%	0.708	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85.8	142	-179.9	14.5	-0.3	0	0	0	113.3
499	N	33.3	Very low	33.8	Very low	156 Å²	156	128 Å²	128	83%	0.834	71%	0.707	S	S	*	*			trans	69.7	116.2	166.3	-74.3	-1.7	0	0	0	119.1
500	P	40.8	Very low	34.4	Very low	108 Å²	108	125.5 Å²	125.5	70%	0.701	69%	0.692	S	S	*	*			trans	-82.9	138.4	172.3	32.3	-29.5	0	0	0	111.7
501	N	36.5	Very low	34.7	Very low	91 Å²	91	118.8 Å²	118.8	49%	0.487	67%	0.672	S	S	.	*			trans	-93.8	121.4	169.1	-176.2	9.9	0	0	0	108.2	E503 V504	N501-E503 PolarHBondContact O-N 3.31Å; N501-V504 HydrophobicContact CB-CG2 4.37Å; N501-V504 PolarHBondContact O-N 3.43Å
502	P	42.7	Very low	35	Very low	96 Å²	96	118 Å²	118	62%	0.623	67%	0.668	S	S	*	*	H	α-helix	trans	-62.4	-15.6	-172.9	19.1	-30.7	0	0	0	115.4	V504	P502-V504 VanDerWaalsContact C-N 3.33Å
503	E	38.1	Very low	35.4	Very low	143 Å²	143	116.3 Å²	116.3	67%	0.668	66%	0.659	S	S	*	*	H	α-helix	trans	-72.4	-23.9	172.8	-82.7	-178.3	147.6	0	0	113.6	N501 C507	N501-E503 PolarHBondContact O-N 3.31Å; E503-C507 PolarHBondContact O-N 2.68Å; E503-C507 PolarHBondContact O-SG 2.84Å; E503-C507 VanDerWaalsContact O-SG 3.33Å
504	V	43.4	Very low	35.5	Very low	98 Å²	98	119.8 Å²	119.8	59%	0.594	66%	0.663	S	S	*	*	H	α-helix	trans	-77.1	-33.5	179.4	-179.5	0	0	0	0	111	N501 P502 C507 S508	N501-V504 HydrophobicContact CB-CG2 4.37Å; N501-V504 PolarHBondContact O-N 3.43Å; P502-V504 VanDerWaalsContact C-N 3.33Å; V504-C507 PolarHBondContact O-N 2.83Å; V504-S508 VanDerWaalsContact O-CB 3.25Å; V504-S508 WeakPolarHBondContact O-CB 3.44Å; V504-S508 PolarHBondContact O-N 2.86Å
505	E	43.2	Very low	35.6	Very low	130 Å²	130	114.3 Å²	114.3	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-67.4	-38.6	174.3	-79.5	-179.9	170.1	0	0	112.1	S508 A509	E505-S508 PolarHBondContact O-N 2.64Å; E505-A509 VanDerWaalsContact O-CB 3.25Å; E505-A509 WeakPolarHBondContact O-CB 3.45Å; E505-A509 PolarHBondContact O-N 2.94Å
506	L	36.8	Very low	35.9	Very low	121 Å²	121	110.8 Å²	110.8	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-38.6	176.7	-150	84.1	0	0	0	111.6	L510	L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 WeakPolarHBondContact O-CD1 3.45Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.24Å; L506-L510 PolarHBondContact O-N 3.41Å
507	C	35.4	Very low	36.1	Very low	86 Å²	86	113.1 Å²	113.1	58%	0.581	65%	0.646	S	S	*	*	H	α-helix	trans	-71.5	-31.8	175.2	-66.7	0	0	0	0	112.3	E503 V504 A511	E503-C507 PolarHBondContact O-N 2.68Å; E503-C507 PolarHBondContact O-SG 2.84Å; E503-C507 VanDerWaalsContact O-SG 3.33Å; V504-C507 PolarHBondContact O-N 2.83Å; C507-A511 VanDerWaalsContact O-CB 3.31Å; C507-A511 WeakPolarHBondContact O-CB 3.29Å; C507-A511 PolarHBondContact O-N 2.92Å
508	S	38.8	Very low	36.2	Very low	69 Å²	69	110.2 Å²	110.2	48%	0.483	64%	0.64	S	S	.	*	H	α-helix	trans	-75.2	-37.4	175.7	-158.8	0	0	0	0	111.7	V504 E505 A511 C512	V504-S508 VanDerWaalsContact O-CB 3.25Å; V504-S508 WeakPolarHBondContact O-CB 3.44Å; V504-S508 PolarHBondContact O-N 2.86Å; E505-S508 PolarHBondContact O-N 2.64Å; S508-A511 PolarHBondContact O-N 3.06Å; S508-C512 PolarHBondContact O-N 2.99Å; S508-C512 PolarHBondContact O-SG 3.26Å
509	A	40	Very low	36.6	Very low	54 Å²	54	114.7 Å²	114.7	45%	0.446	65%	0.652	S	S	.	*	H	α-helix	trans	-66.5	-38.4	172.5	0	0	0	0	0	112.2	E505 C512 L513	E505-A509 VanDerWaalsContact O-CB 3.25Å; E505-A509 WeakPolarHBondContact O-CB 3.45Å; E505-A509 PolarHBondContact O-N 2.94Å; A509-C512 PolarHBondContact O-N 3.26Å; A509-L513 PolarHBondContact O-N 2.88Å
510	L	37.8	Very low	36.9	Very low	106 Å²	106	111.4 Å²	111.4	56%	0.555	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-32.1	173.3	-75	166.2	0	0	0	112.7	L506 L513	L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 WeakPolarHBondContact O-CD1 3.45Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.24Å; L506-L510 PolarHBondContact O-N 3.41Å; L510-L513 HydrophobicContact CD2-CD1 4.46Å; L510-L513 PolarHBondContact O-N 3.22Å
511	A	31.7	Very low	37.4	Very low	49 Å²	49	112.7 Å²	112.7	41%	0.405	64%	0.637	S	S	.	*	H	α-helix	trans	-68.4	-36.2	170.9	0	0	0	0	0	112	C507 S508 L513 Q514 T515	C507-A511 VanDerWaalsContact O-CB 3.31Å; C507-A511 WeakPolarHBondContact O-CB 3.29Å; C507-A511 PolarHBondContact O-N 2.92Å; S508-A511 PolarHBondContact O-N 3.06Å; A511-L513 PolarHBondContact O-N 2.92Å; A511-Q514 PolarHBondContact O-N 3.22Å; A511-T515 PolarHBondContact O-N 3.08Å; A511-T515 PolarHBondContact O-OG1 3.27Å; A511-T515 VanDerWaalsContact O-OG1 3.09Å
512	C	37	Very low	38.7	Very low	97 Å²	97	114.4 Å²	114.4	66%	0.655	65%	0.647	S	S	*	*	H	α-helix	trans	-66.2	-21.4	174	-68	0	0	0	0	113.4	S508 A509	S508-C512 PolarHBondContact O-N 2.99Å; S508-C512 PolarHBondContact O-SG 3.26Å; A509-C512 PolarHBondContact O-N 3.26Å
513	L	36.7	Very low	40.3	Very low	137 Å²	137	111.3 Å²	111.3	72%	0.717	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	175.6	-82.3	158.9	0	0	0	113.8	A509 L510 A511	A509-L513 PolarHBondContact O-N 2.88Å; L510-L513 HydrophobicContact CD2-CD1 4.46Å; L510-L513 PolarHBondContact O-N 3.22Å; A511-L513 PolarHBondContact O-N 2.92Å
514	Q	30	Very low	42.7	Very low	178 Å²	178	104.7 Å²	104.7	83%	0.832	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	10	-174	-73.5	-166.4	-20.7	0	0	116.8	A511	A511-Q514 PolarHBondContact O-N 3.22Å
515	T	30.2	Very low	44.8	Very low	95 Å²	95	103.8 Å²	103.8	58%	0.583	58%	0.583	S	S	*	*	S	Bend	trans	-120.8	124.4	169.8	57.1	0	0	0	0	110.9	A511 Q517	A511-T515 PolarHBondContact O-N 3.08Å; A511-T515 PolarHBondContact O-OG1 3.27Å; A511-T515 VanDerWaalsContact O-OG1 3.09Å; T515-Q517 PolarHBondContact O-N 2.9Å
516	S	32.3	Very low	47.1	Very low	117 Å²	117	97.6 Å²	97.6	82%	0.818	55%	0.554	S	S	*	*			trans	-32.4	120.5	161.2	48.1	0	0	0	0	110.5	S518	S516-S518 PolarHBondContact O-N 3.09Å
517	Q	31.7	Very low	49.8	Very low	175 Å²	175	96 Å²	96	82%	0.818	54%	0.544	S	S	*	.			trans	-37.2	126.9	175.4	-73.7	175.4	-19.4	0	0	110	T515 E519	T515-Q517 PolarHBondContact O-N 2.9Å; Q517-E519 PolarHBondContact O-N 3.35Å; Q517-E519 VanDerWaalsContact O-N 3.15Å
518	S	30.9	Very low	52.5	Low	99 Å²	99	93.4 Å²	93.4	69%	0.692	53%	0.526	S	S	*	.			trans	-47	121.4	169	46.2	0	0	0	0	109.4	S516 S520	S516-S518 PolarHBondContact O-N 3.09Å; S518-S520 VanDerWaalsContact C-N 3.26Å; S518-S520 PolarHBondContact O-N 3.3Å
519	E	40.6	Very low	55	Low	204 Å²	204	92 Å²	92	95%	0.953	52%	0.516	S	S	*	.			trans	-59.6	88.6	168.9	-70.3	-178.8	153.1	0	0	109.2	Q517	Q517-E519 PolarHBondContact O-N 3.35Å; Q517-E519 VanDerWaalsContact O-N 3.15Å
520	S	40.6	Very low	57.7	Low	87 Å²	87	90.3 Å²	90.3	61%	0.608	50%	0.499	S	S	*	.			trans	-150.9	77.2	168.8	63.8	0	0	0	0	109.1	S518	S518-S520 VanDerWaalsContact C-N 3.26Å; S518-S520 PolarHBondContact O-N 3.3Å
521	E	50.3	Low	60.4	Low	134 Å²	134	85.3 Å²	85.3	63%	0.626	47%	0.473	S	S	*	.			trans	-179.6	112.4	147.8	-99.5	166.7	-169.5	0	0	109.5	F523	E521-F523 HydrophobicContact CB-CD1 3.84Å; E521-F523 HydrophobicContact CB-CE1 3.58Å; E521-F523 HydrophobicContact CB-CZ 4.34Å; E521-F523 HydrophobicContact CG-CD1 4.03Å; E521-F523 HydrophobicContact CG-CE1 3.52Å; E521-F523 HydrophobicContact CG-CZ 4.45Å; E521-F523 PolarHBondContact O-N 2.86Å; E521-F523 VanDerWaalsContact O-N 3.1Å; E521-F523 WeakPolarHBondContact OE2-CE1 3.34Å; E521-F523 WeakPolarHBondContact OE2-CZ 3.4Å
522	D	64.3	Low	63.4	Low	127 Å²	127	83 Å²	83	68%	0.679	45%	0.454	S	S	*	.			trans	-84.3	34.4	-171.9	-154.2	3	0	0	0	112.6	R615	D522-R615 IonicContact OD1-NH1 2.63Å; D522-R615 PolarHBondContact OD1-NH1 3.05Å
523	F	77.3	Confident	66.2	Low	32 Å²	32	79.3 Å²	79.3	14%	0.14	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.7	176.4	70.3	-100.3	0	0	0	112.7	E338 R340 E521 M525	E338-F523 HydrophobicContact CB-CB 3.86Å; E338-F523 HydrophobicContact CG-CB 4.18Å; E338-F523 CarbonylContact O-C 3.56Å; E338-F523 VanDerWaalsContact O-CA 3.23Å; E338-F523 WeakPolarHBondContact O-CA 3.33Å; E338-F523 WeakPolarHBondContact O-CB 3.34Å; R340-F523 HydrophobicContact CB-CD2 4.39Å; R340-F523 HydrophobicContact CG-CB 4.43Å; R340-F523 HydrophobicContact CG-CD2 4.3Å; R340-F523 HydrophobicContact CG-CG 4.46Å; E521-F523 HydrophobicContact CB-CD1 3.84Å; E521-F523 HydrophobicContact CB-CE1 3.58Å; E521-F523 HydrophobicContact CB-CZ 4.34Å; E521-F523 HydrophobicContact CG-CD1 4.03Å; E521-F523 HydrophobicContact CG-CE1 3.52Å; E521-F523 HydrophobicContact CG-CZ 4.45Å; E521-F523 PolarHBondContact O-N 2.86Å; E521-F523 VanDerWaalsContact O-N 3.1Å; E521-F523 WeakPolarHBondContact OE2-CE1 3.34Å; E521-F523 WeakPolarHBondContact OE2-CZ 3.4Å; F523-M525 HydrophobicContact CD2-CG 4.04Å; F523-M525 HydrophobicContact CE2-CG 3.67Å; F523-M525 HydrophobicContact CE2-SD 4.27Å
524	C	87.6	Confident	69	Low	3 Å²	3	72.8 Å²	72.8	2%	0.02	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.2	176.6	-175.9	0	0	0	0	109.6	E338 L339 R340 V612	E338-C524 PolarHBondContact O-N 2.89Å; L339-C524 WeakPolarHBondContact CA-O 3.46Å; L339-C524 HydrophobicContact CD2-CB 3.84Å; R340-C524 PolarHBondContact N-O 3.46Å; C524-V612 HydrophobicContact CB-CG2 3.64Å
525	M	88.6	Confident	72.1	Confident	80 Å²	80	65.1 Å²	65.1	39%	0.394	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.6	173.8	-63.2	-150.4	-58.6	0	0	110.6	R340 T353 F523	R340-M525 CarbonylContact O-C 3.54Å; R340-M525 VanDerWaalsContact O-CA 3.3Å; R340-M525 WeakPolarHBondContact O-CA 3.4Å; T353-M525 HydrophobicContact CG2-CE 4.4Å; T353-M525 HydrophobicContact CG2-SD 4.3Å; F523-M525 HydrophobicContact CD2-CG 4.04Å; F523-M525 HydrophobicContact CE2-CG 3.67Å; F523-M525 HydrophobicContact CE2-SD 4.27Å
526	L	91.1	Very high	75.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.			trans	-124.6	142.6	173.2	-61.2	-176.1	0	0	0	108.3	L339 R340 S341 P342 E530 M531 L534 F585 Q609	L339-L526 HydrophobicContact CB-CD1 4.34Å; L339-L526 HydrophobicContact CD1-CD1 4.03Å; L339-L526 HydrophobicContact CD2-CD1 4.28Å; L339-L526 HydrophobicContact CG-CD1 4.45Å; R340-L526 PolarHBondContact O-N 3.43Å; S341-L526 WeakPolarHBondContact CA-O 3.42Å; P342-L526 VanDerWaalsContact CD-O 3.29Å; P342-L526 WeakPolarHBondContact CD-O 3.2Å; L526-E530 VanDerWaalsContact CA-OE2 3.27Å; L526-E530 WeakPolarHBondContact CA-OE2 3.16Å; L526-E530 HydrophobicContact CB-CB 4.07Å; L526-M531 HydrophobicContact CB-CE 4.44Å; L526-M531 HydrophobicContact CD1-CE 4.33Å; L526-L534 HydrophobicContact CD1-CD1 3.47Å; L526-L534 VanDerWaalsContact CD1-CD1 3.47Å; L526-F585 HydrophobicContact CD1-CD1 3.94Å; L526-F585 HydrophobicContact CD1-CE1 4.29Å; L526-F585 HydrophobicContact CD1-CG 4.43Å; L526-F585 HydrophobicContact CD2-CB 3.7Å; L526-F585 HydrophobicContact CD2-CD1 4.03Å; L526-F585 HydrophobicContact CD2-CD2 4.07Å; L526-F585 HydrophobicContact CD2-CG 3.67Å; L526-Q609 HydrophobicContact CD2-CG 3.99Å
527	E	92.1	Very high	78.2	Confident	87 Å²	87	58 Å²	58	41%	0.407	31%	0.305	S	S	.	.			trans	-59.8	154	172.1	-59.3	-55.7	147.5	0	0	110.6	P342 S529 E530 M531 K606	P342-E527 WeakPolarHBondContact CG-OE2 3.35Å; E527-S529 PolarHBondContact O-N 3.29Å; E527-S529 VanDerWaalsContact O-N 3.15Å; E527-E530 HydrophobicContact CB-CB 4.4Å; E527-E530 HydrophobicContact CB-CG 4.04Å; E527-E530 PolarHBondContact N-OE2 3.03Å; E527-E530 WeakPolarHBondContact O-CA 3.47Å; E527-E530 WeakPolarHBondContact O-CB 3.45Å; E527-E530 PolarHBondContact O-N 3.05Å; E527-M531 PolarHBondContact O-N 2.8Å; E527-K606 IonicContact OE1-NZ 2.82Å
528	C	92.6	Very high	81.2	Confident	32 Å²	32	54.1 Å²	54.1	22%	0.216	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-35.8	179.2	-67.1	0	0	0	0	112.4	H320 H321 M531 A532	H320-C528 HydrophobicContact CB-CB 4.22Å; H320-C528 WeakPolarHBondContact O-CA 3.42Å; H321-C528 VanDerWaalsContact CE1-SG 3.56Å; C528-M531 PolarHBondContact O-N 2.67Å; C528-A532 WeakPolarHBondContact O-CB 3.47Å; C528-A532 PolarHBondContact O-N 3.19Å
529	S	92.7	Very high	84.4	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-71.2	-33.7	175.1	56.6	0	0	0	0	113.5	E527 A532 L533	E527-S529 PolarHBondContact O-N 3.29Å; E527-S529 VanDerWaalsContact O-N 3.15Å; S529-A532 PolarHBondContact O-N 3.02Å; S529-L533 WeakPolarHBondContact O-CB 3.29Å; S529-L533 PolarHBondContact O-N 2.81Å
530	E	95.1	Very high	87	Confident	18 Å²	18	40.5 Å²	40.5	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-39.8	174	-67.2	175.6	145.8	0	0	110.3	L526 E527 L533 L534 G584 F585 Q609	L526-E530 VanDerWaalsContact CA-OE2 3.27Å; L526-E530 WeakPolarHBondContact CA-OE2 3.16Å; L526-E530 HydrophobicContact CB-CB 4.07Å; E527-E530 HydrophobicContact CB-CB 4.4Å; E527-E530 HydrophobicContact CB-CG 4.04Å; E527-E530 PolarHBondContact N-OE2 3.03Å; E527-E530 WeakPolarHBondContact O-CA 3.47Å; E527-E530 WeakPolarHBondContact O-CB 3.45Å; E527-E530 PolarHBondContact O-N 3.05Å; E530-L533 WeakPolarHBondContact O-CB 3.47Å; E530-L533 PolarHBondContact O-N 3.01Å; E530-L534 WeakPolarHBondContact O-CG 3.36Å; E530-L534 PolarHBondContact O-N 3.03Å; E530-G584 WeakPolarHBondContact OE1-CA 3.44Å; E530-F585 HydrophobicContact CB-CB 4.44Å; E530-F585 HydrophobicContact CG-CB 4.34Å; E530-F585 PolarHBondContact OE1-N 3.25Å; E530-Q609 PolarHBondContact OE2-NE2 2.93Å
531	M	94.1	Very high	89.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-44.6	173.5	-169.7	63.8	70.9	0	0	111.7	R319 H320 R322 L323 L339 L526 E527 C528 L533 L534 N535	R319-M531 CarbonylContact O-C 3.55Å; H320-M531 VanDerWaalsContact O-CB 3.3Å; H320-M531 WeakPolarHBondContact O-CB 3.32Å; H320-M531 WeakPolarHBondContact O-CG 2.96Å; R322-M531 VanDerWaalsContact C-SD 3.52Å; L323-M531 HydrophobicContact CB-SD 4.39Å; L339-M531 HydrophobicContact CB-CE 3.87Å; L526-M531 HydrophobicContact CB-CE 4.44Å; L526-M531 HydrophobicContact CD1-CE 4.33Å; E527-M531 PolarHBondContact O-N 2.8Å; C528-M531 PolarHBondContact O-N 2.67Å; M531-L533 VanDerWaalsContact C-N 3.31Å; M531-L533 PolarHBondContact O-N 2.94Å; M531-L534 PolarHBondContact O-N 3.01Å; M531-N535 PolarHBondContact O-N 3.07Å; M531-N535 VanDerWaalsContact O-N 3.13Å; M531-N535 PolarHBondContact O-ND2 2.99Å; M531-N535 VanDerWaalsContact O-ND2 3.14Å
532	A	95.1	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-37.9	174.7	0	0	0	0	0	112.2	R319 C528 S529 N535 N536 H802	R319-A532 WeakPolarHBondContact O-CA 2.92Å; R319-A532 PolarHBondContact O-N 3.19Å; C528-A532 WeakPolarHBondContact O-CB 3.47Å; C528-A532 PolarHBondContact O-N 3.19Å; S529-A532 PolarHBondContact O-N 3.02Å; A532-N535 PolarHBondContact O-N 2.64Å; A532-N536 PolarHBondContact O-N 3.08Å; A532-N536 VanDerWaalsContact O-N 3.12Å; A532-H802 HydrophobicContact CB-CB 3.85Å
533	L	96.4	Very high	93.4	Very high	20 Å²	20	30.1 Å²	30.1	11%	0.105	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-52.7	172.9	165.5	61.6	0	0	0	109.9	S529 E530 M531 N535 N536 Y539 H540 H802	S529-L533 WeakPolarHBondContact O-CB 3.29Å; S529-L533 PolarHBondContact O-N 2.81Å; E530-L533 WeakPolarHBondContact O-CB 3.47Å; E530-L533 PolarHBondContact O-N 3.01Å; M531-L533 VanDerWaalsContact C-N 3.31Å; M531-L533 PolarHBondContact O-N 2.94Å; L533-N535 PolarHBondContact O-N 3.5Å; L533-N536 WeakPolarHBondContact O-CA 3.42Å; L533-N536 WeakPolarHBondContact O-CB 3.35Å; L533-N536 PolarHBondContact O-N 3.31Å; L533-Y539 HydrophobicContact CD1-CD1 3.53Å; L533-Y539 HydrophobicContact CD1-CE1 3.48Å; L533-Y539 VanDerWaalsContact CD1-CE1 3.48Å; L533-Y539 HydrophobicContact CD1-CG 4.14Å; L533-H540 PolarHBondContact O-CE1 2.86Å; L533-H802 HydrophobicContact CB-CB 4.13Å; L533-H802 WeakPolarHBondContact CD1-CE1 3.28Å
534	L	95.3	Very high	94.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-54.4	-36.4	177.8	-70.2	179.5	0	0	0	113.2	L323 V328 L339 L526 E530 M531 N536 F585 L587	L323-L534 HydrophobicContact CD1-CB 4.14Å; V328-L534 WeakPolarHBondContact CG1-O 3.39Å; L339-L534 HydrophobicContact CD1-CD1 3.9Å; L526-L534 HydrophobicContact CD1-CD1 3.47Å; L526-L534 VanDerWaalsContact CD1-CD1 3.47Å; E530-L534 WeakPolarHBondContact O-CG 3.36Å; E530-L534 PolarHBondContact O-N 3.03Å; M531-L534 PolarHBondContact O-N 3.01Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 3.41Å; L534-F585 HydrophobicContact CD1-CD1 4.04Å; L534-F585 HydrophobicContact CD1-CE1 3.92Å; L534-F585 HydrophobicContact CD2-CD1 4Å; L534-F585 HydrophobicContact CD2-CE1 3.82Å; L534-F585 HydrophobicContact CG-CD1 4.28Å; L534-F585 HydrophobicContact CG-CE1 4.36Å; L534-L587 HydrophobicContact CD2-CD1 3.56Å; L534-L587 HydrophobicContact CD2-CG 3.74Å
535	N	95.4	Very high	94.7	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-79.7	-8.2	177.2	-72	-45.9	0	0	0	114.2	R319 R322 C324 M531 A532 L533 Q537	R319-N535 WeakPolarHBondContact CA-ND2 3.49Å; R319-N535 HydrophobicContact CB-CB 4.07Å; R319-N535 PolarHBondContact O-ND2 3.37Å; R322-N535 PolarHBondContact O-ND2 2.87Å; C324-N535 WeakPolarHBondContact CB-OD1 3.2Å; C324-N535 PolarHBondContact N-OD1 3.28Å; M531-N535 PolarHBondContact O-N 3.07Å; M531-N535 VanDerWaalsContact O-N 3.13Å; M531-N535 PolarHBondContact O-ND2 2.99Å; M531-N535 VanDerWaalsContact O-ND2 3.14Å; A532-N535 PolarHBondContact O-N 2.64Å; L533-N535 PolarHBondContact O-N 3.5Å; N535-Q537 PolarHBondContact O-N 3.44Å; N535-Q537 VanDerWaalsContact O-N 3.08Å
536	N	96.4	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.			trans	-80.9	85.9	175.6	-169.8	-29.1	0	0	0	110.8	A532 L533 L534 D538 Y539 H540 N800 H802	A532-N536 PolarHBondContact O-N 3.08Å; A532-N536 VanDerWaalsContact O-N 3.12Å; L533-N536 WeakPolarHBondContact O-CA 3.42Å; L533-N536 WeakPolarHBondContact O-CB 3.35Å; L533-N536 PolarHBondContact O-N 3.31Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 3.41Å; N536-D538 PolarHBondContact O-N 3.22Å; N536-D538 PolarHBondContact OD1-N 2.85Å; N536-Y539 VanDerWaalsContact CG-CB 3.5Å; N536-Y539 PolarHBondContact O-N 2.95Å; N536-Y539 VanDerWaalsContact OD1-CB 3.3Å; N536-Y539 WeakPolarHBondContact OD1-CB 3.31Å; N536-Y539 PolarHBondContact OD1-N 3.16Å; N536-H540 PolarHBondContact O-N 3.33Å; N536-H540 PolarHBondContact O-ND1 2.88Å; N536-N800 WeakPolarHBondContact CB-O 3.36Å; N536-N800 VanDerWaalsContact CG-O 3.27Å; N536-N800 PolarHBondContact ND2-O 3.43Å; N536-H802 PolarHBondContact ND2-ND1 3.16Å
537	Q	94.9	Very high	95.3	Very high	63 Å²	63	28.8 Å²	28.8	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-64.1	-38.2	-178.6	-67.4	-65.9	-25.7	0	0	112.9	A325 D327 N535 Y539 H540 Q541	A325-Q537 VanDerWaalsContact CB-NE2 3.27Å; D327-Q537 PolarHBondContact O-NE2 3.36Å; N535-Q537 PolarHBondContact O-N 3.44Å; N535-Q537 VanDerWaalsContact O-N 3.08Å; Q537-Y539 VanDerWaalsContact C-N 3.32Å; Q537-Y539 PolarHBondContact O-N 3.11Å; Q537-H540 PolarHBondContact O-N 2.89Å; Q537-Q541 VanDerWaalsContact O-CB 3.31Å; Q537-Q541 WeakPolarHBondContact O-CB 3.04Å; Q537-Q541 PolarHBondContact O-N 3.31Å
538	D	94.8	Very high	95.4	Very high	92 Å²	92	26.9 Å²	26.9	49%	0.492	15%	0.149	S	C	.	.	H	α-helix	trans	-63.3	-39.3	-178.9	-64.2	-30.7	0	0	0	111.5	N536 S542	N536-D538 PolarHBondContact O-N 3.22Å; N536-D538 PolarHBondContact OD1-N 2.85Å; D538-S542 VanDerWaalsContact O-CB 3.23Å; D538-S542 WeakPolarHBondContact O-CB 3.4Å; D538-S542 PolarHBondContact O-N 3.07Å; D538-S542 PolarHBondContact O-OG 3.26Å
539	Y	96.6	Very high	95.5	Very high	17 Å²	17	28.5 Å²	28.5	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-57.1	173.6	175.1	-93.9	0	0	0	111.1	L533 N536 Q537 Q541 S542 F543 L588 V794 W803	L533-Y539 HydrophobicContact CD1-CD1 3.53Å; L533-Y539 HydrophobicContact CD1-CE1 3.48Å; L533-Y539 VanDerWaalsContact CD1-CE1 3.48Å; L533-Y539 HydrophobicContact CD1-CG 4.14Å; N536-Y539 VanDerWaalsContact CG-CB 3.5Å; N536-Y539 PolarHBondContact O-N 2.95Å; N536-Y539 VanDerWaalsContact OD1-CB 3.3Å; N536-Y539 WeakPolarHBondContact OD1-CB 3.31Å; N536-Y539 PolarHBondContact OD1-N 3.16Å; Q537-Y539 VanDerWaalsContact C-N 3.32Å; Q537-Y539 PolarHBondContact O-N 3.11Å; Y539-Q541 VanDerWaalsContact C-N 3.34Å; Y539-Q541 PolarHBondContact O-N 3.28Å; Y539-S542 PolarHBondContact O-N 3.23Å; Y539-F543 HydrophobicContact CD1-CD2 4.21Å; Y539-F543 AromaticContact CD2-CD2 3.97Å; Y539-F543 HydrophobicContact CD2-CD2 3.97Å; Y539-F543 AromaticContact CD2-CE2 3.69Å; Y539-F543 HydrophobicContact CD2-CE2 3.69Å; Y539-F543 AromaticContact CE1-CD2 3.98Å; Y539-F543 HydrophobicContact CE1-CD2 3.98Å; Y539-F543 HydrophobicContact CE1-CE2 4.1Å; Y539-F543 AromaticContact CE2-CD2 3.74Å; Y539-F543 HydrophobicContact CE2-CD2 3.74Å; Y539-F543 AromaticContact CE2-CE2 3.14Å; Y539-F543 HydrophobicContact CE2-CE2 3.14Å; Y539-F543 AromaticContact CE2-CZ 3.99Å; Y539-F543 HydrophobicContact CE2-CZ 3.99Å; Y539-F543 HydrophobicContact CG-CD2 4.22Å; Y539-F543 HydrophobicContact CG-CE2 4.38Å; Y539-F543 AromaticContact CZ-CD2 3.75Å; Y539-F543 AromaticContact CZ-CE2 3.39Å; Y539-F543 WeakPolarHBondContact O-CD2 3.3Å; Y539-F543 PolarHBondContact O-N 2.97Å; Y539-L588 HydrophobicContact CE1-CD1 4.11Å; Y539-L588 HydrophobicContact CE1-CD2 3.85Å; Y539-L588 HydrophobicContact CE1-CG 4.2Å; Y539-L588 WeakPolarHBondContact OH-CD1 3.31Å; Y539-V794 HydrophobicContact CD2-CG1 4.3Å; Y539-W803 AromaticContact CD2-CH2 3.57Å; Y539-W803 HydrophobicContact CD2-CH2 3.57Å; Y539-W803 HydrophobicContact CD2-CZ3 4.09Å; Y539-W803 AromaticContact CE2-CH2 3.48Å; Y539-W803 HydrophobicContact CE2-CH2 3.48Å; Y539-W803 VanDerWaalsContact CE2-CH2 3.48Å; Y539-W803 HydrophobicContact CE2-CZ2 4.11Å; Y539-W803 HydrophobicContact CE2-CZ3 4.43Å
540	H	96.8	Very high	95.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-40.1	-176.6	-67	97.8	0	0	0	112.5	V328 L533 N536 Q537 F543 C544 I591	V328-H540 HydrophobicContact CG1-CB 4.19Å; V328-H540 WeakPolarHBondContact CG1-ND1 3.47Å; L533-H540 PolarHBondContact O-CE1 2.86Å; N536-H540 PolarHBondContact O-N 3.33Å; N536-H540 PolarHBondContact O-ND1 2.88Å; Q537-H540 PolarHBondContact O-N 2.89Å; H540-F543 PolarHBondContact O-N 3.35Å; H540-C544 VanDerWaalsContact O-CB 3.27Å; H540-C544 WeakPolarHBondContact O-CB 3.3Å; H540-C544 PolarHBondContact O-N 3.26Å; H540-I591 HydrophobicContact CB-CD1 4.19Å
541	Q	95.6	Very high	95.4	Very high	104 Å²	104	26.3 Å²	26.3	49%	0.486	14%	0.138	S	C	.	.	H	α-helix	trans	-66.6	-38.1	177.9	-173.9	57.7	40.2	0	0	112	Q537 Y539 C544 T545	Q537-Q541 VanDerWaalsContact O-CB 3.31Å; Q537-Q541 WeakPolarHBondContact O-CB 3.04Å; Q537-Q541 PolarHBondContact O-N 3.31Å; Y539-Q541 VanDerWaalsContact C-N 3.34Å; Y539-Q541 PolarHBondContact O-N 3.28Å; Q541-C544 PolarHBondContact O-N 2.95Å; Q541-T545 WeakPolarHBondContact O-CB 3.47Å; Q541-T545 PolarHBondContact O-N 2.98Å; Q541-T545 PolarHBondContact O-OG1 2.88Å
542	S	96.7	Very high	95.3	Very high	22 Å²	22	29.4 Å²	29.4	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-47.1	176.2	-62.2	0	0	0	0	111.2	D538 Y539 C544 T545 A546 V792	D538-S542 VanDerWaalsContact O-CB 3.23Å; D538-S542 WeakPolarHBondContact O-CB 3.4Å; D538-S542 PolarHBondContact O-N 3.07Å; D538-S542 PolarHBondContact O-OG 3.26Å; Y539-S542 PolarHBondContact O-N 3.23Å; S542-C544 PolarHBondContact O-N 2.95Å; S542-T545 PolarHBondContact O-N 3.07Å; S542-A546 WeakPolarHBondContact O-CB 3.34Å; S542-A546 PolarHBondContact O-N 3.37Å; S542-V792 WeakPolarHBondContact O-CG1 3.3Å
543	F	96.6	Very high	95.1	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-43	175	-89	-89.7	0	0	0	112.6	Y539 H540 T545 A546 L547 L588 I654 F686 L788	Y539-F543 HydrophobicContact CD1-CD2 4.21Å; Y539-F543 AromaticContact CD2-CD2 3.97Å; Y539-F543 HydrophobicContact CD2-CD2 3.97Å; Y539-F543 AromaticContact CD2-CE2 3.69Å; Y539-F543 HydrophobicContact CD2-CE2 3.69Å; Y539-F543 AromaticContact CE1-CD2 3.98Å; Y539-F543 HydrophobicContact CE1-CD2 3.98Å; Y539-F543 HydrophobicContact CE1-CE2 4.1Å; Y539-F543 AromaticContact CE2-CD2 3.74Å; Y539-F543 HydrophobicContact CE2-CD2 3.74Å; Y539-F543 AromaticContact CE2-CE2 3.14Å; Y539-F543 HydrophobicContact CE2-CE2 3.14Å; Y539-F543 AromaticContact CE2-CZ 3.99Å; Y539-F543 HydrophobicContact CE2-CZ 3.99Å; Y539-F543 HydrophobicContact CG-CD2 4.22Å; Y539-F543 HydrophobicContact CG-CE2 4.38Å; Y539-F543 AromaticContact CZ-CD2 3.75Å; Y539-F543 AromaticContact CZ-CE2 3.39Å; Y539-F543 WeakPolarHBondContact O-CD2 3.3Å; Y539-F543 PolarHBondContact O-N 2.97Å; H540-F543 PolarHBondContact O-N 3.35Å; F543-T545 VanDerWaalsContact C-N 3.32Å; F543-T545 PolarHBondContact O-N 3.11Å; F543-A546 PolarHBondContact O-N 3.22Å; F543-L547 VanDerWaalsContact O-CB 3.27Å; F543-L547 WeakPolarHBondContact O-CB 3.4Å; F543-L547 VanDerWaalsContact O-CG 3.27Å; F543-L547 WeakPolarHBondContact O-CG 3.49Å; F543-L547 PolarHBondContact O-N 3.42Å; F543-L588 HydrophobicContact CB-CD2 3.61Å; F543-L588 HydrophobicContact CD1-CD1 3.65Å; F543-L588 HydrophobicContact CD1-CD2 4.05Å; F543-L588 HydrophobicContact CD1-CG 4.46Å; F543-L588 HydrophobicContact CD2-CD1 4.36Å; F543-L588 HydrophobicContact CD2-CD2 4.22Å; F543-L588 HydrophobicContact CE1-CD1 3.66Å; F543-L588 HydrophobicContact CE2-CD1 4.42Å; F543-L588 HydrophobicContact CG-CD1 4Å; F543-L588 HydrophobicContact CG-CD2 3.69Å; F543-L588 HydrophobicContact CZ-CD1 4.05Å; F543-I654 HydrophobicContact CE1-CG2 3.86Å; F543-F686 HydrophobicContact CE1-CB 4.03Å; F543-L788 HydrophobicContact CB-CD1 4.42Å; F543-L788 HydrophobicContact CD1-CD1 4.22Å; F543-L788 HydrophobicContact CD1-CD2 4.35Å; F543-L788 HydrophobicContact CD2-CD1 3.62Å; F543-L788 HydrophobicContact CD2-CD2 4.25Å; F543-L788 HydrophobicContact CE1-CD1 4.41Å; F543-L788 HydrophobicContact CE1-CD2 3.75Å; F543-L788 HydrophobicContact CE2-CD1 3.8Å; F543-L788 HydrophobicContact CE2-CD2 3.59Å; F543-L788 HydrophobicContact CE2-CG 4.34Å; F543-L788 HydrophobicContact CG-CD1 3.84Å; F543-L788 HydrophobicContact CZ-CD1 4.23Å; F543-L788 HydrophobicContact CZ-CD2 3.34Å; F543-L788 HydrophobicContact CZ-CG 4.45Å
544	C	95.9	Very high	94.8	Very high	20 Å²	20	31.6 Å²	31.6	14%	0.135	17%	0.17	C	C	.	.	H	α-helix	trans	-56.3	-48.7	175.4	-173.7	0	0	0	0	110.8	H540 Q541 S542 A546 L547 T548 I591	H540-C544 VanDerWaalsContact O-CB 3.27Å; H540-C544 WeakPolarHBondContact O-CB 3.3Å; H540-C544 PolarHBondContact O-N 3.26Å; Q541-C544 PolarHBondContact O-N 2.95Å; S542-C544 PolarHBondContact O-N 2.95Å; C544-A546 PolarHBondContact O-N 3.02Å; C544-L547 PolarHBondContact O-N 2.91Å; C544-T548 WeakPolarHBondContact O-CB 3.25Å; C544-T548 PolarHBondContact O-N 3.32Å; C544-T548 PolarHBondContact O-OG1 3.11Å; C544-I591 HydrophobicContact CB-CG2 3.81Å
545	T	96.2	Very high	94.3	Very high	63 Å²	63	34.1 Å²	34.1	39%	0.387	18%	0.18	S	C	.	.	H	α-helix	trans	-61	-48	179.3	-54.9	0	0	0	0	112.1	Q541 S542 F543 T548 K549 V792	Q541-T545 WeakPolarHBondContact O-CB 3.47Å; Q541-T545 PolarHBondContact O-N 2.98Å; Q541-T545 PolarHBondContact O-OG1 2.88Å; S542-T545 PolarHBondContact O-N 3.07Å; F543-T545 VanDerWaalsContact C-N 3.32Å; F543-T545 PolarHBondContact O-N 3.11Å; T545-T548 PolarHBondContact O-N 3.42Å; T545-K549 PolarHBondContact O-N 3.18Å; T545-K549 VanDerWaalsContact O-N 3.08Å; T545-V792 HydrophobicContact CG2-CG2 4.05Å
546	A	96.4	Very high	93.6	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-42.6	-178.9	0	0	0	0	0	112.3	S542 F543 C544 K549 L550 F686 L788 V792	S542-A546 WeakPolarHBondContact O-CB 3.34Å; S542-A546 PolarHBondContact O-N 3.37Å; F543-A546 PolarHBondContact O-N 3.22Å; C544-A546 PolarHBondContact O-N 3.02Å; A546-K549 PolarHBondContact O-N 3.21Å; A546-L550 PolarHBondContact O-N 3.48Å; A546-L550 VanDerWaalsContact O-N 3.07Å; A546-F686 HydrophobicContact CB-CD1 4.42Å; A546-F686 HydrophobicContact CB-CE1 3.75Å; A546-F686 HydrophobicContact CB-CZ 4.29Å; A546-L788 HydrophobicContact CB-CB 3.85Å; A546-L788 HydrophobicContact CB-CD1 4.29Å; A546-V792 HydrophobicContact CB-CG1 4.46Å
547	L	95.3	Very high	92.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-45.2	176.1	-74.2	167	0	0	0	111.5	F543 C544 K549 L550 I551 I591 A592 A652 F686	F543-L547 VanDerWaalsContact O-CB 3.27Å; F543-L547 WeakPolarHBondContact O-CB 3.4Å; F543-L547 VanDerWaalsContact O-CG 3.27Å; F543-L547 WeakPolarHBondContact O-CG 3.49Å; F543-L547 PolarHBondContact O-N 3.42Å; C544-L547 PolarHBondContact O-N 2.91Å; L547-K549 VanDerWaalsContact C-N 3.31Å; L547-K549 PolarHBondContact O-N 2.89Å; L547-L550 PolarHBondContact O-N 3.17Å; L547-I551 HydrophobicContact CB-CD1 4.49Å; L547-I551 WeakPolarHBondContact O-CB 3.48Å; L547-I551 WeakPolarHBondContact O-CD1 3.22Å; L547-I551 VanDerWaalsContact O-CG1 3.23Å; L547-I551 WeakPolarHBondContact O-CG1 3.46Å; L547-I551 PolarHBondContact O-N 3.17Å; L547-I591 HydrophobicContact CD1-CG2 4.38Å; L547-A592 HydrophobicContact CD1-CB 4.12Å; L547-A652 HydrophobicContact CD2-CB 4.48Å; L547-F686 HydrophobicContact CD2-CD2 4.01Å; L547-F686 HydrophobicContact CD2-CE2 3.67Å; L547-F686 HydrophobicContact CD2-CZ 4.46Å; L547-F686 HydrophobicContact CG-CE2 4.44Å
548	T	94.4	Very high	91.2	Very high	48 Å²	48	45.8 Å²	45.8	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-46.2	176.2	-63.5	0	0	0	0	111	C544 T545 I551 S552 Q595	C544-T548 WeakPolarHBondContact O-CB 3.25Å; C544-T548 PolarHBondContact O-N 3.32Å; C544-T548 PolarHBondContact O-OG1 3.11Å; T545-T548 PolarHBondContact O-N 3.42Å; T548-I551 PolarHBondContact O-N 3.34Å; T548-S552 WeakPolarHBondContact O-CB 3.31Å; T548-S552 PolarHBondContact O-N 3.06Å; T548-S552 PolarHBondContact O-OG 3.38Å; T548-Q595 PolarHBondContact OG1-NE2 3.25Å; T548-Q595 PolarHBondContact OG1-OE1 2.93Å
549	K	95	Very high	89.3	Confident	65 Å²	65	45.2 Å²	45.2	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-50.1	179.1	-170.8	-172.8	-177.8	174.6	0	111.7	T545 A546 L547 I551 S552 E553 D789 D791	T545-K549 PolarHBondContact O-N 3.18Å; T545-K549 VanDerWaalsContact O-N 3.08Å; A546-K549 PolarHBondContact O-N 3.21Å; L547-K549 VanDerWaalsContact C-N 3.31Å; L547-K549 PolarHBondContact O-N 2.89Å; K549-I551 PolarHBondContact O-N 2.67Å; K549-S552 PolarHBondContact O-N 3.44Å; K549-E553 WeakPolarHBondContact O-CG 3.39Å; K549-E553 PolarHBondContact O-N 3.01Å; K549-D789 WeakPolarHBondContact CD-OD2 3.34Å; K549-D789 WeakPolarHBondContact CE-OD2 3.37Å; K549-D789 IonicContact NZ-OD2 2.71Å; K549-D789 PolarHBondContact NZ-OD2 2.94Å; K549-D791 IonicContact NZ-OD2 2.69Å; K549-D791 PolarHBondContact NZ-OD2 2.88Å
550	L	94.4	Very high	87.2	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-47.6	177.8	175.2	61.5	0	0	0	111.9	A546 L547 S552 E553 L554 A652 R684 F686	A546-L550 PolarHBondContact O-N 3.48Å; A546-L550 VanDerWaalsContact O-N 3.07Å; L547-L550 PolarHBondContact O-N 3.17Å; L550-S552 VanDerWaalsContact C-N 3.31Å; L550-S552 PolarHBondContact O-N 3.26Å; L550-E553 PolarHBondContact O-N 3.39Å; L550-L554 HydrophobicContact CD1-CD1 3.83Å; L550-L554 HydrophobicContact CD1-CG 3.98Å; L550-L554 HydrophobicContact CG-CD1 3.98Å; L550-L554 HydrophobicContact CG-CG 4.47Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.42Å; L550-A652 HydrophobicContact CD2-CB 3.79Å; L550-R684 HydrophobicContact CD1-CG 3.83Å; L550-R684 HydrophobicContact CD2-CB 4.08Å; L550-R684 HydrophobicContact CD2-CG 4.3Å; L550-F686 HydrophobicContact CB-CZ 4.17Å; L550-F686 HydrophobicContact CD2-CE2 3.52Å; L550-F686 HydrophobicContact CD2-CZ 3.81Å
551	I	91.4	Very high	85.1	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-42.2	-179.3	-72.4	163.6	0	0	0	110.6	L547 T548 K549 K555 L576 Q595 V598	L547-I551 HydrophobicContact CB-CD1 4.49Å; L547-I551 WeakPolarHBondContact O-CB 3.48Å; L547-I551 WeakPolarHBondContact O-CD1 3.22Å; L547-I551 VanDerWaalsContact O-CG1 3.23Å; L547-I551 WeakPolarHBondContact O-CG1 3.46Å; L547-I551 PolarHBondContact O-N 3.17Å; T548-I551 PolarHBondContact O-N 3.34Å; K549-I551 PolarHBondContact O-N 2.67Å; I551-K555 HydrophobicContact CG2-CD 4.09Å; I551-K555 WeakPolarHBondContact O-CB 3.34Å; I551-K555 VanDerWaalsContact O-CG 3.26Å; I551-K555 WeakPolarHBondContact O-CG 3.5Å; I551-K555 PolarHBondContact O-N 3.23Å; I551-K555 VanDerWaalsContact O-N 3.07Å; I551-L576 HydrophobicContact CB-CD1 4.16Å; I551-L576 HydrophobicContact CG1-CD1 4.05Å; I551-L576 HydrophobicContact CG2-CD1 3.74Å; I551-Q595 HydrophobicContact CD1-CB 3.72Å; I551-Q595 HydrophobicContact CD1-CG 3.79Å; I551-V598 HydrophobicContact CD1-CG2 3.72Å; I551-V598 HydrophobicContact CG1-CG2 4.25Å
552	S	91.2	Very high	82.7	Confident	65 Å²	65	54 Å²	54	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-44.7	174.4	-68.3	0	0	0	0	112.4	T548 K549 L550 L554 K555 V556	T548-S552 WeakPolarHBondContact O-CB 3.31Å; T548-S552 PolarHBondContact O-N 3.06Å; T548-S552 PolarHBondContact O-OG 3.38Å; K549-S552 PolarHBondContact O-N 3.44Å; L550-S552 VanDerWaalsContact C-N 3.31Å; L550-S552 PolarHBondContact O-N 3.26Å; S552-L554 PolarHBondContact O-N 2.87Å; S552-K555 PolarHBondContact O-N 2.87Å; S552-V556 WeakPolarHBondContact O-CG2 3.31Å; S552-V556 PolarHBondContact O-N 3.42Å; S552-V556 VanDerWaalsContact O-N 3.11Å
553	E	91.6	Very high	80.1	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.29	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-45.2	178.3	-74.3	176.1	-170.4	0	0	112.3	K549 L550 V556 K557 R684	K549-E553 WeakPolarHBondContact O-CG 3.39Å; K549-E553 PolarHBondContact O-N 3.01Å; L550-E553 PolarHBondContact O-N 3.39Å; E553-V556 PolarHBondContact O-N 3.01Å; E553-K557 PolarHBondContact O-N 2.76Å; E553-K557 VanDerWaalsContact O-N 3.09Å; E553-R684 IonicContact OE1-NH2 3.88Å; E553-R684 IonicContact OE2-CZ 2.74Å; E553-R684 IonicContact OE2-NH2 2.75Å; E553-R684 PolarHBondContact OE2-NH2 2.85Å
554	L	90.1	Very high	77.5	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-68.2	-36.1	179.8	-69	175.7	0	0	0	112.3	L550 S552 V556 K557 N558 L576	L550-L554 HydrophobicContact CD1-CD1 3.83Å; L550-L554 HydrophobicContact CD1-CG 3.98Å; L550-L554 HydrophobicContact CG-CD1 3.98Å; L550-L554 HydrophobicContact CG-CG 4.47Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.42Å; S552-L554 PolarHBondContact O-N 2.87Å; L554-V556 VanDerWaalsContact C-N 3.34Å; L554-K557 PolarHBondContact O-N 3.06Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-L576 HydrophobicContact CB-CD2 3.94Å; L554-L576 HydrophobicContact CD1-CD2 3.9Å
555	K	83.8	Confident	75	Confident	53 Å²	53	64.2 Å²	64.2	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-37.9	173.9	-75.7	177	-176.8	-176.4	0	112.1	I551 S552 L576 G596 Q597	I551-K555 HydrophobicContact CG2-CD 4.09Å; I551-K555 WeakPolarHBondContact O-CB 3.34Å; I551-K555 VanDerWaalsContact O-CG 3.26Å; I551-K555 WeakPolarHBondContact O-CG 3.5Å; I551-K555 PolarHBondContact O-N 3.23Å; I551-K555 VanDerWaalsContact O-N 3.07Å; S552-K555 PolarHBondContact O-N 2.87Å; K555-L576 HydrophobicContact CG-CD1 4.41Å; K555-G596 PolarHBondContact NZ-O 3.24Å; K555-Q597 VanDerWaalsContact NZ-OE1 3.12Å
556	V	82.3	Confident	72.2	Confident	116 Å²	116	70.5 Å²	70.5	70%	0.703	39%	0.393	S	S	*	.	H	α-helix	trans	-70.5	-41.6	177.6	172.6	0	0	0	0	111.8	S552 E553 L554 N558	S552-V556 WeakPolarHBondContact O-CG2 3.31Å; S552-V556 PolarHBondContact O-N 3.42Å; S552-V556 VanDerWaalsContact O-N 3.11Å; E553-V556 PolarHBondContact O-N 3.01Å; L554-V556 VanDerWaalsContact C-N 3.34Å; V556-N558 VanDerWaalsContact C-N 3.29Å; V556-N558 PolarHBondContact O-N 3.4Å
557	K	73.7	Confident	69.2	Low	140 Å²	140	73.6 Å²	73.6	61%	0.609	42%	0.419	S	S	*	.	H	α-helix	trans	-68.8	-25	-179.1	-75.1	-179.3	178.6	176.2	0	113.6	E553 L554 P559	E553-K557 PolarHBondContact O-N 2.76Å; E553-K557 VanDerWaalsContact O-N 3.09Å; L554-K557 PolarHBondContact O-N 3.06Å; K557-P559 VanDerWaalsContact C-CD 3.43Å; K557-P559 VanDerWaalsContact O-CD 3.3Å; K557-P559 WeakPolarHBondContact O-CD 3.47Å
558	N	66.4	Low	66.5	Low	69 Å²	69	79.1 Å²	79.1	37%	0.369	46%	0.457	S	S	.	.			trans	-119.7	67.6	-179.9	-77.1	-41.8	0	0	0	112.7	L554 V556 N560 R561	L554-N558 PolarHBondContact O-N 3.47Å; V556-N558 VanDerWaalsContact C-N 3.29Å; V556-N558 PolarHBondContact O-N 3.4Å; N558-N560 PolarHBondContact O-N 3Å; N558-N560 VanDerWaalsContact O-N 3.15Å; N558-R561 HydrophobicContact CB-CG 4.3Å; N558-R561 WeakPolarHBondContact O-CB 3.34Å; N558-R561 PolarHBondContact O-N 3.37Å; N558-R561 VanDerWaalsContact O-N 3.07Å
559	P	55.9	Low	63.7	Low	80 Å²	80	86.5 Å²	86.5	52%	0.519	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.5	-174.3	25.5	-33.3	0	0	0	113.9	K557 R561 N562	K557-P559 VanDerWaalsContact C-CD 3.43Å; K557-P559 VanDerWaalsContact O-CD 3.3Å; K557-P559 WeakPolarHBondContact O-CD 3.47Å; P559-R561 PolarHBondContact O-N 3.02Å; P559-R561 VanDerWaalsContact O-N 3.16Å; P559-N562 PolarHBondContact O-N 2.97Å
560	N	51.8	Low	61	Low	142 Å²	142	85.1 Å²	85.1	76%	0.759	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-64.7	-12.7	174.7	-73.8	-11.5	0	0	0	113.5	N558 N562	N558-N560 PolarHBondContact O-N 3Å; N558-N560 VanDerWaalsContact O-N 3.15Å; N560-N562 VanDerWaalsContact C-N 3.3Å
561	R	53.3	Low	58.7	Low	63 Å²	63	88.7 Å²	88.7	24%	0.238	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-74.4	-16.5	171.4	-70.1	-174.8	177.5	171.5	4.7	112.9	N558 P559 E680	N558-R561 HydrophobicContact CB-CG 4.3Å; N558-R561 WeakPolarHBondContact O-CB 3.34Å; N558-R561 PolarHBondContact O-N 3.37Å; N558-R561 VanDerWaalsContact O-N 3.07Å; P559-R561 PolarHBondContact O-N 3.02Å; P559-R561 VanDerWaalsContact O-N 3.16Å; R561-E680 IonicContact CZ-OE2 3.24Å; R561-E680 IonicContact NH1-OE1 3.06Å; R561-E680 IonicContact NH1-OE2 2.68Å; R561-E680 IonicContact NH2-OE2 2.83Å; R561-E680 PolarHBondContact NH2-OE2 3.26Å
562	N	43.7	Very low	56.8	Low	102 Å²	102	92.4 Å²	92.4	55%	0.545	54%	0.536	S	S	.	.	S	Bend	trans	-92.5	-10	-178.8	-77.2	-23.2	0	0	0	114.6	P559 N560	P559-N562 PolarHBondContact O-N 2.97Å; N560-N562 VanDerWaalsContact C-N 3.3Å
563	T	42.7	Very low	55	Low	102 Å²	102	92.6 Å²	92.6	63%	0.626	54%	0.538	S	S	*	.			trans	-110.8	73.2	-174.5	45.4	0	0	0	0	112.2
564	V	42.4	Very low	53.9	Low	87 Å²	87	91 Å²	91	53%	0.527	53%	0.533	S	S	.	.			trans	-140.8	86.4	158.3	-170.2	0	0	0	0	110.1	A570	V564-A570 HydrophobicContact CG1-CB 4.23Å
565	G	42.4	Very low	53.7	Low	72 Å²	72	91.8 Å²	91.8	74%	0.742	54%	0.537	S	S	*	.			trans	-82	131.2	149.9	0	0	0	0	0	108.6
566	M	37.4	Very low	54.1	Low	195 Å²	195	89.4 Å²	89.4	96%	0.961	53%	0.527	S	S	*	.	S	Bend	trans	75.6	68.2	166.8	-52.6	-177.4	78.5	0	0	118.2
567	A	35.1	Very low	54.7	Low	66 Å²	66	84.4 Å²	84.4	55%	0.545	50%	0.496	S	S	.	.			trans	-165.3	123	142.5	0	0	0	0	0	110.7	F569 A570	A567-F569 PolarHBondContact O-N 2.93Å; A567-A570 PolarHBondContact O-N 3.41Å
568	S	37.6	Very low	55.8	Low	117 Å²	117	77.8 Å²	77.8	82%	0.818	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	15	-171.3	60	0	0	0	0	116.2
569	F	36.5	Very low	57.3	Low	204 Å²	204	74.5 Å²	74.5	90%	0.895	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	2.7	179.2	-79.6	-84.7	0	0	0	113.7	A567	A567-F569 PolarHBondContact O-N 2.93Å
570	A	38	Very low	59.2	Low	35 Å²	35	70.7 Å²	70.7	29%	0.289	43%	0.425	S	S	.	.			trans	-111.9	8.4	-172.1	0	0	0	0	0	115.5	V564 A567 D572 S573	V564-A570 HydrophobicContact CG1-CB 4.23Å; A567-A570 PolarHBondContact O-N 3.41Å; A570-D572 PolarHBondContact O-N 3.18Å; A570-S573 PolarHBondContact O-OG 3.34Å
571	A	45.8	Very low	61.2	Low	79 Å²	79	65.2 Å²	65.2	65%	0.653	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-65.1	-36.9	-173.1	0	0	0	0	0	113.6	S573 S574	A571-S573 VanDerWaalsContact C-N 3.3Å; A571-S573 PolarHBondContact O-N 3.08Å; A571-S574 PolarHBondContact O-OG 3.48Å
572	D	50.4	Low	63	Low	87 Å²	87	62.9 Å²	62.9	47%	0.465	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-79.9	-6.6	-173.4	-150.1	12.2	0	0	0	113.7	A570 S574 Y577 K648	A570-D572 PolarHBondContact O-N 3.18Å; D572-S574 VanDerWaalsContact C-N 3.34Å; D572-Y577 PolarHBondContact OD1-OH 3.17Å; D572-K648 PolarHBondContact O-NZ 3.21Å
573	S	53.6	Low	65.1	Low	69 Å²	69	62.9 Å²	62.9	48%	0.483	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-80.9	-13.7	179.4	81.2	0	0	0	0	114.2	A570 A571	A570-S573 PolarHBondContact O-OG 3.34Å; A571-S573 VanDerWaalsContact C-N 3.3Å; A571-S573 PolarHBondContact O-N 3.08Å
574	S	68.9	Low	67.3	Low	28 Å²	28	59.5 Å²	59.5	20%	0.196	37%	0.372	C	S	.	.	S	Bend	trans	-101.4	-9.2	-173.6	68	0	0	0	0	114.8	A571 D572	A571-S574 PolarHBondContact O-OG 3.48Å; D572-S574 VanDerWaalsContact C-N 3.34Å
575	L	85.4	Confident	69.8	Low	21 Å²	21	55.4 Å²	55.4	11%	0.11	35%	0.347	C	S	.	.			trans	-78.5	142.7	-174.7	-62.2	178.8	0	0	0	112.1	Y577 Q597 K599	L575-Y577 HydrophobicContact CB-CE2 4.49Å; L575-Y577 WeakPolarHBondContact O-CE2 3.35Å; L575-Q597 HydrophobicContact CD2-CB 4.28Å; L575-K599 HydrophobicContact CD1-CB 4.28Å
576	L	93.2	Very high	72.3	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.7	165.6	-66.2	166.9	0	0	0	109.1	I551 L554 K555 Q597 V598 K599 S651 E680	I551-L576 HydrophobicContact CB-CD1 4.16Å; I551-L576 HydrophobicContact CG1-CD1 4.05Å; I551-L576 HydrophobicContact CG2-CD1 3.74Å; L554-L576 HydrophobicContact CB-CD2 3.94Å; L554-L576 HydrophobicContact CD1-CD2 3.9Å; K555-L576 HydrophobicContact CG-CD1 4.41Å; L576-Q597 PolarHBondContact N-O 2.93Å; L576-V598 HydrophobicContact CB-CG2 4.27Å; L576-V598 CarbonylContact O-C 3.49Å; L576-V598 WeakPolarHBondContact O-CA 3.43Å; L576-K599 PolarHBondContact O-N 3.25Å; L576-S651 WeakPolarHBondContact CA-OG 3.3Å; L576-S651 WeakPolarHBondContact CB-OG 3.43Å; L576-S651 WeakPolarHBondContact CD2-OG 3.28Å; L576-E680 WeakPolarHBondContact CD2-OE1 3.48Å
577	Y	95.1	Very high	75.1	Confident	11 Å²	11	42.9 Å²	42.9	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.5	-178	-66.5	-99	0	0	0	109.5	D572 L575 K599 Y601 P644 K648 S651 A652	D572-Y577 PolarHBondContact OD1-OH 3.17Å; L575-Y577 HydrophobicContact CB-CE2 4.49Å; L575-Y577 WeakPolarHBondContact O-CE2 3.35Å; Y577-K599 WeakPolarHBondContact CA-O 3.23Å; Y577-K599 HydrophobicContact CD1-CB 4.16Å; Y577-K599 HydrophobicContact CD1-CD 4.31Å; Y577-K599 HydrophobicContact CE1-CB 4.24Å; Y577-K599 HydrophobicContact CE1-CD 3.83Å; Y577-Y601 HydrophobicContact CD1-CE2 4.02Å; Y577-P644 HydrophobicContact CD1-CB 3.87Å; Y577-P644 HydrophobicContact CD1-CG 4.1Å; Y577-P644 HydrophobicContact CE1-CB 4.4Å; Y577-P644 HydrophobicContact CG-CB 4.43Å; Y577-P644 HydrophobicContact CG-CG 4.17Å; Y577-K648 HydrophobicContact CE2-CB 4.41Å; Y577-K648 HydrophobicContact CE2-CD 3.85Å; Y577-K648 HydrophobicContact CE2-CG 4.16Å; Y577-S651 PolarHBondContact N-OG 3.41Å; Y577-S651 VanDerWaalsContact N-OG 3.15Å; Y577-S651 WeakPolarHBondContact O-CA 3.46Å; Y577-S651 WeakPolarHBondContact O-CB 3.27Å; Y577-S651 PolarHBondContact O-N 3.04Å; Y577-A652 PolarHBondContact O-N 2.97Å
578	V	97.2	Very high	78.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.3	178.9	176.9	0	0	0	0	109.2	A592 V598 K599 A600 Y601 A652 I654	V578-A592 HydrophobicContact CB-CB 4.15Å; V578-A592 HydrophobicContact CG1-CB 3.85Å; V578-A592 HydrophobicContact CG2-CB 4.26Å; V578-V598 HydrophobicContact CB-CG1 4.12Å; V578-V598 HydrophobicContact CG2-CG1 3.69Å; V578-K599 PolarHBondContact N-O 2.99Å; V578-A600 CarbonylContact O-C 3.55Å; V578-A600 WeakPolarHBondContact O-CA 3.32Å; V578-Y601 PolarHBondContact O-N 2.93Å; V578-A652 WeakPolarHBondContact CA-O 3.44Å; V578-A652 HydrophobicContact CG1-CB 4.24Å; V578-A652 HydrophobicContact CG2-CB 4.13Å; V578-I654 HydrophobicContact CG1-CD1 4.18Å
579	L	96.8	Very high	80.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.7	175.4	179.9	62.4	0	0	0	110.2	V581 W630 L641 W650 A652 I653 I654	L579-V581 HydrophobicContact CD2-CG2 3.81Å; L579-V581 HydrophobicContact CG-CG2 3.72Å; L579-W630 HydrophobicContact CD1-CB 4.01Å; L579-W630 HydrophobicContact CD1-CD2 4.2Å; L579-W630 HydrophobicContact CD1-CG 3.93Å; L579-L641 HydrophobicContact CD2-CD2 3.86Å; L579-W650 HydrophobicContact CB-CD2 3.8Å; L579-W650 HydrophobicContact CB-CE3 3.66Å; L579-W650 HydrophobicContact CB-CH2 3.88Å; L579-W650 HydrophobicContact CB-CZ2 4.01Å; L579-W650 HydrophobicContact CB-CZ3 3.71Å; L579-W650 HydrophobicContact CD1-CH2 4.07Å; L579-W650 HydrophobicContact CD1-CZ2 4.22Å; L579-W650 HydrophobicContact CD2-CD2 4.49Å; L579-W650 HydrophobicContact CD2-CH2 4.44Å; L579-W650 HydrophobicContact CD2-CZ2 3.86Å; L579-W650 HydrophobicContact CG-CH2 4.34Å; L579-W650 HydrophobicContact CG-CZ2 4.25Å; L579-A652 PolarHBondContact N-O 3.45Å; L579-I653 HydrophobicContact CB-CG1 4.42Å; L579-I653 HydrophobicContact CD2-CG2 4.45Å; L579-I653 CarbonylContact O-C 3.47Å; L579-I653 WeakPolarHBondContact O-CA 3.43Å; L579-I654 PolarHBondContact O-N 2.84Å
580	D	96.7	Very high	83.7	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.9	172.2	-178.1	6.6	0	0	0	110	S582 S586 S589 Y601 S603 I654	D580-S582 VanDerWaalsContact C-N 3.35Å; D580-S582 WeakPolarHBondContact OD1-CB 3.4Å; D580-S582 PolarHBondContact OD1-N 3.32Å; D580-S582 PolarHBondContact OD1-OG 2.8Å; D580-S586 WeakPolarHBondContact OD2-CB 3.33Å; D580-S586 PolarHBondContact OD2-OG 2.89Å; D580-S589 PolarHBondContact OD2-N 3.32Å; D580-Y601 WeakPolarHBondContact CB-O 3.23Å; D580-Y601 PolarHBondContact N-O 2.87Å; D580-S603 VanDerWaalsContact O-CB 3.28Å; D580-S603 WeakPolarHBondContact O-CB 3.41Å; D580-S603 PolarHBondContact O-N 3.11Å; D580-S603 VanDerWaalsContact O-N 3.1Å; D580-S603 PolarHBondContact O-OG 3.36Å; D580-I654 HydrophobicContact CB-CD1 4.39Å
581	V	93.4	Very high	86.5	Confident	27 Å²	27	22.9 Å²	22.9	16%	0.164	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	25.9	179.5	-156.6	0	0	0	0	110.8	L579 L641 I653 I654 L655	L579-V581 HydrophobicContact CD2-CG2 3.81Å; L579-V581 HydrophobicContact CG-CG2 3.72Å; V581-L641 HydrophobicContact CG1-CD2 4.06Å; V581-L641 HydrophobicContact CG2-CD2 3.7Å; V581-I653 HydrophobicContact CG2-CG2 3.96Å; V581-I654 WeakPolarHBondContact CA-O 3.41Å; V581-I654 VanDerWaalsContact CB-O 3.31Å; V581-I654 WeakPolarHBondContact CB-O 3.48Å; V581-I654 WeakPolarHBondContact CG2-O 3.29Å; V581-I654 PolarHBondContact N-O 3.38Å; V581-L655 HydrophobicContact CB-CD2 4.14Å; V581-L655 HydrophobicContact CG2-CD2 4.04Å
582	S	91.1	Very high	88.8	Confident	13 Å²	13	19.1 Å²	19.1	9%	0.091	12%	0.115	C	C	.	.			trans	-64.1	140.5	172.6	-55.8	0	0	0	0	110.7	D580	D580-S582 VanDerWaalsContact C-N 3.35Å; D580-S582 WeakPolarHBondContact OD1-CB 3.4Å; D580-S582 PolarHBondContact OD1-N 3.32Å; D580-S582 PolarHBondContact OD1-OG 2.8Å
583	E	86.6	Confident	90.9	Very high	103 Å²	103	15.1 Å²	15.1	48%	0.481	9%	0.094	S	C	.	.	S	Bend	trans	-79.8	138.6	170	-67.3	-173.7	-162.1	0	0	110	R665	E583-R665 IonicContact OE1-CZ 2.75Å; E583-R665 IonicContact OE1-NE 3.8Å; E583-R665 IonicContact OE1-NH1 2.9Å; E583-R665 PolarHBondContact OE1-NH1 3.13Å; E583-R665 IonicContact OE2-CZ 2.85Å; E583-R665 IonicContact OE2-NH1 3.99Å; E583-R665 PolarHBondContact OE2-NH1 3.28Å; E583-R665 IonicContact OE2-NH2 3.79Å; E583-R665 PolarHBondContact OE2-NH2 2.95Å
584	G	89.6	Confident	92.8	Very high	31 Å²	31	17.4 Å²	17.4	32%	0.32	9%	0.092	S	C	.	.	S	Bend	trans	76	-158.4	-178.8	0	0	0	0	0	114.2	E530 S586 V604	E530-G584 WeakPolarHBondContact OE1-CA 3.44Å; G584-S586 PolarHBondContact O-N 3.24Å; G584-V604 WeakPolarHBondContact O-CG2 3.29Å
585	F	94.6	Very high	93.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-76	117.4	-176.8	-170.4	-105.6	0	0	0	112.6	L526 E530 L534 L587 Q609 V612 L613	L526-F585 HydrophobicContact CD1-CD1 3.94Å; L526-F585 HydrophobicContact CD1-CE1 4.29Å; L526-F585 HydrophobicContact CD1-CG 4.43Å; L526-F585 HydrophobicContact CD2-CB 3.7Å; L526-F585 HydrophobicContact CD2-CD1 4.03Å; L526-F585 HydrophobicContact CD2-CD2 4.07Å; L526-F585 HydrophobicContact CD2-CG 3.67Å; E530-F585 HydrophobicContact CB-CB 4.44Å; E530-F585 HydrophobicContact CG-CB 4.34Å; E530-F585 PolarHBondContact OE1-N 3.25Å; L534-F585 HydrophobicContact CD1-CD1 4.04Å; L534-F585 HydrophobicContact CD1-CE1 3.92Å; L534-F585 HydrophobicContact CD2-CD1 4Å; L534-F585 HydrophobicContact CD2-CE1 3.82Å; L534-F585 HydrophobicContact CG-CD1 4.28Å; L534-F585 HydrophobicContact CG-CE1 4.36Å; F585-L587 HydrophobicContact CE1-CD2 4Å; F585-L587 HydrophobicContact CE1-CG 4.44Å; F585-L587 HydrophobicContact CZ-CD2 4.1Å; F585-Q609 HydrophobicContact CD2-CB 3.79Å; F585-Q609 HydrophobicContact CD2-CG 3.87Å; F585-Q609 HydrophobicContact CE2-CB 4.22Å; F585-V612 HydrophobicContact CE2-CB 4.25Å; F585-V612 HydrophobicContact CE2-CG1 4.12Å; F585-V612 HydrophobicContact CZ-CB 4.42Å; F585-V612 HydrophobicContact CZ-CG1 3.78Å; F585-L613 HydrophobicContact CE2-CD1 4.48Å; F585-L613 HydrophobicContact CE2-CD2 3.9Å; F585-L613 HydrophobicContact CE2-CG 3.83Å; F585-L613 HydrophobicContact CZ-CD2 3.9Å; F585-L613 HydrophobicContact CZ-CG 4.31Å
586	S	95.6	Very high	93.5	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	10%	0.104	C	C	.	.			trans	-131.1	139	178.8	169.2	0	0	0	0	112.4	D580 G584 L588	D580-S586 WeakPolarHBondContact OD2-CB 3.33Å; D580-S586 PolarHBondContact OD2-OG 2.89Å; G584-S586 PolarHBondContact O-N 3.24Å; S586-L588 PolarHBondContact OG-N 3.14Å; S586-L588 VanDerWaalsContact OG-N 3.09Å
587	L	96.9	Very high	93.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-92.4	-4.7	172.3	-63.8	-177.4	0	0	0	113.4	V328 L331 M333 L534 F585 S589 L590 I591 L613 L616	V328-L587 HydrophobicContact CB-CD1 3.94Å; V328-L587 HydrophobicContact CG1-CD1 3.72Å; L331-L587 HydrophobicContact CD1-CB 4.24Å; L331-L587 HydrophobicContact CD1-CD1 4.49Å; M333-L587 HydrophobicContact CE-CD1 4.04Å; M333-L587 HydrophobicContact SD-CD1 3.86Å; L534-L587 HydrophobicContact CD2-CD1 3.56Å; L534-L587 HydrophobicContact CD2-CG 3.74Å; F585-L587 HydrophobicContact CE1-CD2 4Å; F585-L587 HydrophobicContact CE1-CG 4.44Å; F585-L587 HydrophobicContact CZ-CD2 4.1Å; L587-S589 PolarHBondContact O-N 3.37Å; L587-L590 PolarHBondContact O-N 3.07Å; L587-I591 HydrophobicContact CB-CD1 4.41Å; L587-I591 WeakPolarHBondContact O-CG1 3.34Å; L587-I591 PolarHBondContact O-N 2.99Å; L587-L613 HydrophobicContact CD2-CD2 3.68Å; L587-L616 HydrophobicContact CD2-CD1 3.85Å
588	L	97.1	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-39.8	-169.9	-62.5	-173.2	0	0	0	113.1	Y539 F543 S586 L590 I591 A592 I654	Y539-L588 HydrophobicContact CE1-CD1 4.11Å; Y539-L588 HydrophobicContact CE1-CD2 3.85Å; Y539-L588 HydrophobicContact CE1-CG 4.2Å; Y539-L588 WeakPolarHBondContact OH-CD1 3.31Å; F543-L588 HydrophobicContact CB-CD2 3.61Å; F543-L588 HydrophobicContact CD1-CD1 3.65Å; F543-L588 HydrophobicContact CD1-CD2 4.05Å; F543-L588 HydrophobicContact CD1-CG 4.46Å; F543-L588 HydrophobicContact CD2-CD1 4.36Å; F543-L588 HydrophobicContact CD2-CD2 4.22Å; F543-L588 HydrophobicContact CE1-CD1 3.66Å; F543-L588 HydrophobicContact CE2-CD1 4.42Å; F543-L588 HydrophobicContact CG-CD1 4Å; F543-L588 HydrophobicContact CG-CD2 3.69Å; F543-L588 HydrophobicContact CZ-CD1 4.05Å; S586-L588 PolarHBondContact OG-N 3.14Å; S586-L588 VanDerWaalsContact OG-N 3.09Å; L588-L590 VanDerWaalsContact C-N 3.27Å; L588-L590 PolarHBondContact O-N 2.91Å; L588-I591 HydrophobicContact CD2-CD1 4.15Å; L588-I591 PolarHBondContact O-N 3.4Å; L588-A592 WeakPolarHBondContact O-CB 3.33Å; L588-A592 PolarHBondContact O-N 3.27Å; L588-I654 HydrophobicContact CB-CD1 3.91Å; L588-I654 HydrophobicContact CD1-CD1 4.24Å; L588-I654 HydrophobicContact CD1-CG2 3.76Å
589	S	96.1	Very high	92.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-54.9	-42.2	170.9	55.5	0	0	0	0	112.4	D580 L587 A592 A593 A600	D580-S589 PolarHBondContact OD2-N 3.32Å; L587-S589 PolarHBondContact O-N 3.37Å; S589-A592 PolarHBondContact O-N 2.86Å; S589-A593 PolarHBondContact O-N 2.87Å; S589-A600 WeakPolarHBondContact O-CB 3.39Å
590	L	96.3	Very high	92.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-73.5	-38.8	179.2	-175.9	57.1	0	0	0	112.3	L331 L587 L588 A592 A593 R594 L616 A617 V622	L331-L590 HydrophobicContact CD1-CB 4.03Å; L331-L590 HydrophobicContact CD1-CD2 3.82Å; L331-L590 HydrophobicContact CD1-CG 3.75Å; L331-L590 HydrophobicContact CD2-CD2 4.22Å; L331-L590 HydrophobicContact CD2-CG 3.93Å; L587-L590 PolarHBondContact O-N 3.07Å; L588-L590 VanDerWaalsContact C-N 3.27Å; L588-L590 PolarHBondContact O-N 2.91Å; L590-A592 VanDerWaalsContact C-N 3.26Å; L590-A592 PolarHBondContact O-N 3.41Å; L590-A593 PolarHBondContact O-N 3.34Å; L590-R594 WeakPolarHBondContact O-CB 3.3Å; L590-R594 PolarHBondContact O-N 2.97Å; L590-L616 HydrophobicContact CD2-CB 3.65Å; L590-A617 HydrophobicContact CD1-CB 3.75Å; L590-V622 HydrophobicContact CD1-CB 3.84Å; L590-V622 HydrophobicContact CD1-CG1 3.93Å; L590-V622 HydrophobicContact CD1-CG2 3.69Å
591	I	96.1	Very high	92.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-42.1	171.9	-69.2	171.7	0	0	0	110.2	L331 H540 C544 L547 L587 L588	L331-I591 HydrophobicContact CD1-CG1 3.63Å; L331-I591 HydrophobicContact CG-CG1 4.19Å; H540-I591 HydrophobicContact CB-CD1 4.19Å; C544-I591 HydrophobicContact CB-CG2 3.81Å; L547-I591 HydrophobicContact CD1-CG2 4.38Å; L587-I591 HydrophobicContact CB-CD1 4.41Å; L587-I591 WeakPolarHBondContact O-CG1 3.34Å; L587-I591 PolarHBondContact O-N 2.99Å; L588-I591 HydrophobicContact CD2-CD1 4.15Å; L588-I591 PolarHBondContact O-N 3.4Å
592	A	95	Very high	93	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-47.4	175.6	0	0	0	0	0	112	L547 V578 L588 S589 L590 R594 Q595 V598	L547-A592 HydrophobicContact CD1-CB 4.12Å; V578-A592 HydrophobicContact CB-CB 4.15Å; V578-A592 HydrophobicContact CG1-CB 3.85Å; V578-A592 HydrophobicContact CG2-CB 4.26Å; L588-A592 WeakPolarHBondContact O-CB 3.33Å; L588-A592 PolarHBondContact O-N 3.27Å; S589-A592 PolarHBondContact O-N 2.86Å; L590-A592 VanDerWaalsContact C-N 3.26Å; L590-A592 PolarHBondContact O-N 3.41Å; A592-R594 VanDerWaalsContact C-N 3.29Å; A592-R594 PolarHBondContact O-N 3.37Å; A592-Q595 WeakPolarHBondContact O-CB 3.33Å; A592-Q595 WeakPolarHBondContact O-CG 3.28Å; A592-Q595 PolarHBondContact O-N 3.36Å; A592-Q595 VanDerWaalsContact O-N 3.17Å; A592-V598 HydrophobicContact CB-CG1 4.32Å
593	A	94.3	Very high	93.1	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-36.6	-179.1	0	0	0	0	0	112.8	S589 L590 Q595 G596 A600 V622	S589-A593 PolarHBondContact O-N 2.87Å; L590-A593 PolarHBondContact O-N 3.34Å; A593-Q595 PolarHBondContact O-N 3.36Å; A593-G596 PolarHBondContact O-N 2.87Å; A593-G596 VanDerWaalsContact O-N 3.14Å; A593-A600 HydrophobicContact CB-CB 3.93Å; A593-V622 HydrophobicContact CB-CG1 3.61Å; A593-V622 HydrophobicContact CB-CG2 4.44Å
594	R	92.6	Very high	93.3	Very high	118 Å²	118	17.9 Å²	17.9	45%	0.445	10%	0.096	S	C	.	.	H	α-helix	trans	-63.2	-21.2	178.2	-178	170.1	172.1	145.6	-7.4	114	G330 L331 L590 A592 G596 N620 V622	G330-R594 PolarHBondContact O-NH1 2.89Å; G330-R594 PolarHBondContact O-NH2 3.02Å; L331-R594 HydrophobicContact CD2-CB 4.35Å; L590-R594 WeakPolarHBondContact O-CB 3.3Å; L590-R594 PolarHBondContact O-N 2.97Å; A592-R594 VanDerWaalsContact C-N 3.29Å; A592-R594 PolarHBondContact O-N 3.37Å; R594-G596 PolarHBondContact O-N 3.31Å; R594-G596 VanDerWaalsContact O-N 3.17Å; R594-N620 PolarHBondContact NH1-OD1 3.26Å; R594-V622 HydrophobicContact CB-CG2 3.93Å
595	Q	86.8	Confident	93.3	Very high	56 Å²	56	23.4 Å²	23.4	26%	0.262	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.2	176.2	-56.1	-65.3	-26.7	0	0	113.1	T548 I551 A592 A593	T548-Q595 PolarHBondContact OG1-NE2 3.25Å; T548-Q595 PolarHBondContact OG1-OE1 2.93Å; I551-Q595 HydrophobicContact CD1-CB 3.72Å; I551-Q595 HydrophobicContact CD1-CG 3.79Å; A592-Q595 WeakPolarHBondContact O-CB 3.33Å; A592-Q595 WeakPolarHBondContact O-CG 3.28Å; A592-Q595 PolarHBondContact O-N 3.36Å; A592-Q595 VanDerWaalsContact O-N 3.17Å; A593-Q595 PolarHBondContact O-N 3.36Å
596	G	82.8	Confident	93	Very high	28 Å²	28	28.5 Å²	28.5	29%	0.289	14%	0.136	S	C	.	.	S	Bend	trans	77.3	144.7	176.7	0	0	0	0	0	113.7	K555 A593 R594 V598	K555-G596 PolarHBondContact NZ-O 3.24Å; A593-G596 PolarHBondContact O-N 2.87Å; A593-G596 VanDerWaalsContact O-N 3.14Å; R594-G596 PolarHBondContact O-N 3.31Å; R594-G596 VanDerWaalsContact O-N 3.17Å; G596-V598 PolarHBondContact O-N 2.64Å
597	Q	86.1	Confident	92.8	Very high	77 Å²	77	32.1 Å²	32.1	36%	0.36	16%	0.161	S	C	.	.	S	Bend	trans	58.9	30	-171.5	-55	172.1	-35.8	0	0	113.3	K555 L575 L576	K555-Q597 VanDerWaalsContact NZ-OE1 3.12Å; L575-Q597 HydrophobicContact CD2-CB 4.28Å; L576-Q597 PolarHBondContact N-O 2.93Å
598	V	92.6	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	176.2	176.2	0	0	0	0	108.3	I551 L576 V578 A592 G596 A600 H626	I551-V598 HydrophobicContact CD1-CG2 3.72Å; I551-V598 HydrophobicContact CG1-CG2 4.25Å; L576-V598 HydrophobicContact CB-CG2 4.27Å; L576-V598 CarbonylContact O-C 3.49Å; L576-V598 WeakPolarHBondContact O-CA 3.43Å; V578-V598 HydrophobicContact CB-CG1 4.12Å; V578-V598 HydrophobicContact CG2-CG1 3.69Å; A592-V598 HydrophobicContact CB-CG1 4.32Å; G596-V598 PolarHBondContact O-N 2.64Å; V598-A600 HydrophobicContact CG1-CB 4.43Å; V598-H626 WeakPolarHBondContact O-CB 3.46Å
599	K	94.8	Very high	92.3	Very high	28 Å²	28	37.5 Å²	37.5	12%	0.122	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.9	163.6	-165.3	177.5	-173	-170.5	0	108	L575 L576 Y577 V578 Y601 E628	L575-K599 HydrophobicContact CD1-CB 4.28Å; L576-K599 PolarHBondContact O-N 3.25Å; Y577-K599 WeakPolarHBondContact CA-O 3.23Å; Y577-K599 HydrophobicContact CD1-CB 4.16Å; Y577-K599 HydrophobicContact CD1-CD 4.31Å; Y577-K599 HydrophobicContact CE1-CB 4.24Å; Y577-K599 HydrophobicContact CE1-CD 3.83Å; V578-K599 PolarHBondContact N-O 2.99Å; K599-Y601 HydrophobicContact CD-CE2 3.97Å; K599-Y601 VanDerWaalsContact CE-OH 3.23Å; K599-Y601 WeakPolarHBondContact CE-OH 3.32Å; K599-Y601 HydrophobicContact CG-CE2 3.86Å; K599-Y601 PolarHBondContact NZ-OH 2.95Å; K599-E628 WeakPolarHBondContact CE-OE1 3.46Å; K599-E628 IonicContact NZ-OE1 2.99Å; K599-E628 PolarHBondContact NZ-OE1 3.3Å; K599-E628 IonicContact NZ-OE2 2.64Å; K599-E628 PolarHBondContact NZ-OE2 2.59Å
600	A	96	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.9	-177	0	0	0	0	0	111.6	V578 S589 A593 V598 H626 L627 E628	V578-A600 CarbonylContact O-C 3.55Å; V578-A600 WeakPolarHBondContact O-CA 3.32Å; S589-A600 WeakPolarHBondContact O-CB 3.39Å; A593-A600 HydrophobicContact CB-CB 3.93Å; V598-A600 HydrophobicContact CG1-CB 4.43Å; A600-H626 PolarHBondContact N-O 3.24Å; A600-L627 WeakPolarHBondContact O-CA 3.07Å; A600-E628 PolarHBondContact O-N 3.11Å
601	Y	96	Very high	92.1	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.2	178.8	-73.4	-102.7	0	0	0	109.1	Y577 V578 D580 K599 E628 W630 W650	Y577-Y601 HydrophobicContact CD1-CE2 4.02Å; V578-Y601 PolarHBondContact O-N 2.93Å; D580-Y601 WeakPolarHBondContact CB-O 3.23Å; D580-Y601 PolarHBondContact N-O 2.87Å; K599-Y601 HydrophobicContact CD-CE2 3.97Å; K599-Y601 VanDerWaalsContact CE-OH 3.23Å; K599-Y601 WeakPolarHBondContact CE-OH 3.32Å; K599-Y601 HydrophobicContact CG-CE2 3.86Å; K599-Y601 PolarHBondContact NZ-OH 2.95Å; Y601-E628 CarbonylContact C-O 3.24Å; Y601-E628 WeakPolarHBondContact CA-O 3.17Å; Y601-E628 HydrophobicContact CD1-CB 3.76Å; Y601-E628 HydrophobicContact CE1-CB 3.64Å; Y601-E628 HydrophobicContact CE1-CG 4.36Å; Y601-E628 WeakPolarHBondContact CE1-OE2 3.44Å; Y601-E628 HydrophobicContact CG-CB 4.38Å; Y601-E628 PolarHBondContact OH-OE2 3.44Å; Y601-W630 AromaticContact CD1-CE3 3.95Å; Y601-W630 HydrophobicContact CD1-CE3 3.95Å; Y601-W630 HydrophobicContact CE1-CE3 4.38Å; Y601-W650 HydrophobicContact CD1-CH2 4.18Å; Y601-W650 AromaticContact CD2-CH2 3.56Å; Y601-W650 HydrophobicContact CD2-CH2 3.56Å; Y601-W650 AromaticContact CD2-CZ3 3.42Å; Y601-W650 HydrophobicContact CD2-CZ3 3.42Å; Y601-W650 VanDerWaalsContact CD2-CZ3 3.42Å; Y601-W650 HydrophobicContact CE2-CH2 4Å; Y601-W650 AromaticContact CE2-CZ3 3.93Å; Y601-W650 HydrophobicContact CE2-CZ3 3.93Å; Y601-W650 AromaticContact CG-CH2 3.66Å; Y601-W650 HydrophobicContact CG-CH2 3.66Å; Y601-W650 AromaticContact CG-CZ3 3.94Å; Y601-W650 HydrophobicContact CG-CZ3 3.94Å
602	S	95.3	Very high	92	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.8	175.9	178.9	0	0	0	0	110.8	V604 E628 F629 W630	S602-V604 WeakPolarHBondContact OG-CG2 3.41Å; S602-V604 PolarHBondContact OG-N 2.85Å; S602-E628 PolarHBondContact N-O 2.88Å; S602-F629 CarbonylContact O-C 3.54Å; S602-F629 WeakPolarHBondContact O-CA 3.5Å; S602-W630 PolarHBondContact O-N 3.28Å
603	S	93	Very high	92	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.098	21%	0.207	C	C	.	.			trans	-94.4	16.4	173.1	-56.5	0	0	0	0	113.5	D580 E605 L631	D580-S603 VanDerWaalsContact O-CB 3.28Å; D580-S603 WeakPolarHBondContact O-CB 3.41Å; D580-S603 PolarHBondContact O-N 3.11Å; D580-S603 VanDerWaalsContact O-N 3.1Å; D580-S603 PolarHBondContact O-OG 3.36Å; S603-E605 PolarHBondContact O-N 2.98Å; S603-L631 WeakPolarHBondContact O-CD1 3.5Å
604	V	91.8	Very high	92	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	22%	0.219	C	C	.	.			trans	-66.2	122.1	176.4	170.2	0	0	0	0	110.9	G584 S602 Q609 Q610 L613	G584-V604 WeakPolarHBondContact O-CG2 3.29Å; S602-V604 WeakPolarHBondContact OG-CG2 3.41Å; S602-V604 PolarHBondContact OG-N 2.85Å; V604-Q609 HydrophobicContact CG1-CB 3.52Å; V604-Q610 HydrophobicContact CB-CG 4.45Å; V604-Q610 HydrophobicContact CG1-CG 3.93Å; V604-Q610 PolarHBondContact O-NE2 3Å; V604-L613 HydrophobicContact CB-CD1 4.29Å; V604-L613 HydrophobicContact CG2-CD1 3.83Å
605	E	88.8	Confident	92.1	Very high	147 Å²	147	43.3 Å²	43.3	69%	0.687	21%	0.213	S	C	*	.			trans	-86.2	-43.2	-179.3	-65.6	176.6	-159.8	0	0	113.2	S603 S607 L631	S603-E605 PolarHBondContact O-N 2.98Å; E605-S607 PolarHBondContact O-N 2.98Å; E605-L631 HydrophobicContact CG-CD1 3.29Å
606	K	89.7	Confident	92.5	Very high	107 Å²	107	40.7 Å²	40.7	47%	0.465	20%	0.2	S	C	.	.			trans	-67.6	121.9	-170.7	-65.1	178.2	-178	173.3	0	110.9	E527 K608 Q609 Q610	E527-K606 IonicContact OE1-NZ 2.82Å; K606-K608 VanDerWaalsContact C-N 3.34Å; K606-K608 PolarHBondContact O-N 2.95Å; K606-Q609 HydrophobicContact CB-CB 4.12Å; K606-Q609 HydrophobicContact CB-CG 4.08Å; K606-Q609 WeakPolarHBondContact O-CB 3.29Å; K606-Q609 PolarHBondContact O-N 3.03Å; K606-Q610 WeakPolarHBondContact O-CG 3.23Å; K606-Q610 PolarHBondContact O-N 3.43Å
607	S	90.1	Very high	93.1	Very high	80 Å²	80	39.4 Å²	39.4	56%	0.559	19%	0.187	S	C	*	.	H	α-helix	trans	-57.5	-39.5	-176.2	62.7	0	0	0	0	114.1	E605 Q610 N611	E605-S607 PolarHBondContact O-N 2.98Å; S607-Q610 PolarHBondContact O-N 2.78Å; S607-N611 PolarHBondContact O-N 3.25Å; S607-N611 PolarHBondContact O-ND2 3.34Å
608	K	90.6	Very high	93.5	Very high	110 Å²	110	43.3 Å²	43.3	48%	0.478	20%	0.198	S	C	.	.	H	α-helix	trans	-60.5	-44.6	174.4	-72.2	-170.1	177.7	-173.1	0	111.7	K606 N611 V612	K606-K608 VanDerWaalsContact C-N 3.34Å; K606-K608 PolarHBondContact O-N 2.95Å; K608-N611 WeakPolarHBondContact O-CB 3.26Å; K608-N611 PolarHBondContact O-N 3.15Å; K608-V612 PolarHBondContact O-N 2.87Å; K608-V612 VanDerWaalsContact O-N 3.08Å
609	Q	93.8	Very high	93.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-41.3	176.6	-73.5	-179.8	-10.9	0	0	111.8	L526 E530 F585 V604 K606 N611 V612 L613	L526-Q609 HydrophobicContact CD2-CG 3.99Å; E530-Q609 PolarHBondContact OE2-NE2 2.93Å; F585-Q609 HydrophobicContact CD2-CB 3.79Å; F585-Q609 HydrophobicContact CD2-CG 3.87Å; F585-Q609 HydrophobicContact CE2-CB 4.22Å; V604-Q609 HydrophobicContact CG1-CB 3.52Å; K606-Q609 HydrophobicContact CB-CB 4.12Å; K606-Q609 HydrophobicContact CB-CG 4.08Å; K606-Q609 WeakPolarHBondContact O-CB 3.29Å; K606-Q609 PolarHBondContact O-N 3.03Å; Q609-N611 VanDerWaalsContact C-N 3.28Å; Q609-N611 PolarHBondContact O-N 3.26Å; Q609-V612 WeakPolarHBondContact O-CB 3.28Å; Q609-V612 PolarHBondContact O-N 2.97Å; Q609-L613 PolarHBondContact O-N 2.91Å
610	Q	94.3	Very high	93.6	Very high	10 Å²	10	45 Å²	45	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-40.5	172.8	-62.8	-171.1	-1.8	0	0	111.7	V604 K606 S607 L613 R614 F629 N632	V604-Q610 HydrophobicContact CB-CG 4.45Å; V604-Q610 HydrophobicContact CG1-CG 3.93Å; V604-Q610 PolarHBondContact O-NE2 3Å; K606-Q610 WeakPolarHBondContact O-CG 3.23Å; K606-Q610 PolarHBondContact O-N 3.43Å; S607-Q610 PolarHBondContact O-N 2.78Å; Q610-L613 PolarHBondContact O-N 3.05Å; Q610-R614 WeakPolarHBondContact O-CG 3.47Å; Q610-R614 PolarHBondContact O-N 3.03Å; Q610-F629 HydrophobicContact CB-CD1 4.07Å; Q610-F629 HydrophobicContact CB-CE1 3.61Å; Q610-F629 HydrophobicContact CB-CE2 4.16Å; Q610-F629 HydrophobicContact CB-CZ 3.65Å; Q610-F629 HydrophobicContact CG-CD1 3.51Å; Q610-F629 HydrophobicContact CG-CE1 3.52Å; Q610-F629 HydrophobicContact CG-CG 4.04Å; Q610-F629 HydrophobicContact CG-CZ 4.07Å; Q610-N632 PolarHBondContact NE2-OD1 3.31Å; Q610-N632 VanDerWaalsContact NE2-OD1 3.11Å; Q610-N632 PolarHBondContact OE1-ND2 3.2Å
611	N	93.2	Very high	93.5	Very high	81 Å²	81	52.7 Å²	52.7	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-39.9	176.6	-73.7	-24.4	0	0	0	112.3	S607 K608 Q609 R614 R615	S607-N611 PolarHBondContact O-N 3.25Å; S607-N611 PolarHBondContact O-ND2 3.34Å; K608-N611 WeakPolarHBondContact O-CB 3.26Å; K608-N611 PolarHBondContact O-N 3.15Å; Q609-N611 VanDerWaalsContact C-N 3.28Å; Q609-N611 PolarHBondContact O-N 3.26Å; N611-R614 PolarHBondContact O-N 3.04Å; N611-R614 PolarHBondContact OD1-NH1 3.02Å; N611-R615 WeakPolarHBondContact O-CG 3.36Å; N611-R615 PolarHBondContact O-N 2.75Å
612	V	94.3	Very high	93.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-48.3	172.4	174.2	0	0	0	0	110.6	A336 L339 C524 F585 K608 Q609 R614 R615 L616	A336-V612 HydrophobicContact CB-CG1 4.22Å; L339-V612 HydrophobicContact CD2-CG1 4.33Å; L339-V612 HydrophobicContact CD2-CG2 4.39Å; C524-V612 HydrophobicContact CB-CG2 3.64Å; F585-V612 HydrophobicContact CE2-CB 4.25Å; F585-V612 HydrophobicContact CE2-CG1 4.12Å; F585-V612 HydrophobicContact CZ-CB 4.42Å; F585-V612 HydrophobicContact CZ-CG1 3.78Å; K608-V612 PolarHBondContact O-N 2.87Å; K608-V612 VanDerWaalsContact O-N 3.08Å; Q609-V612 WeakPolarHBondContact O-CB 3.28Å; Q609-V612 PolarHBondContact O-N 2.97Å; V612-R614 VanDerWaalsContact C-N 3.33Å; V612-R614 PolarHBondContact O-N 2.79Å; V612-R615 PolarHBondContact O-N 3.14Å; V612-L616 HydrophobicContact CG1-CD1 3.91Å; V612-L616 HydrophobicContact CG1-CG 4.35Å; V612-L616 WeakPolarHBondContact O-CG 2.82Å; V612-L616 PolarHBondContact O-N 2.97Å
613	L	95.4	Very high	92.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-39.1	178	-69.7	178.5	0	0	0	112.7	F585 L587 V604 Q609 Q610 L616 A617 L627 F629	F585-L613 HydrophobicContact CE2-CD1 4.48Å; F585-L613 HydrophobicContact CE2-CD2 3.9Å; F585-L613 HydrophobicContact CE2-CG 3.83Å; F585-L613 HydrophobicContact CZ-CD2 3.9Å; F585-L613 HydrophobicContact CZ-CG 4.31Å; L587-L613 HydrophobicContact CD2-CD2 3.68Å; V604-L613 HydrophobicContact CB-CD1 4.29Å; V604-L613 HydrophobicContact CG2-CD1 3.83Å; Q609-L613 PolarHBondContact O-N 2.91Å; Q610-L613 PolarHBondContact O-N 3.05Å; L613-L616 PolarHBondContact O-N 2.78Å; L613-A617 WeakPolarHBondContact O-CB 3.09Å; L613-A617 PolarHBondContact O-N 3.18Å; L613-L627 HydrophobicContact CB-CD2 4.18Å; L613-F629 HydrophobicContact CB-CE1 4.37Å; L613-F629 HydrophobicContact CB-CZ 4.2Å; L613-F629 HydrophobicContact CD1-CE1 3.94Å
614	R	95.1	Very high	92.2	Very high	72 Å²	72	59 Å²	59	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-44.2	173.9	-69.1	177.9	-168.4	109.4	10.9	112.1	Q610 N611 V612 A617 R618 F629	Q610-R614 WeakPolarHBondContact O-CG 3.47Å; Q610-R614 PolarHBondContact O-N 3.03Å; N611-R614 PolarHBondContact O-N 3.04Å; N611-R614 PolarHBondContact OD1-NH1 3.02Å; V612-R614 VanDerWaalsContact C-N 3.33Å; V612-R614 PolarHBondContact O-N 2.79Å; R614-A617 PolarHBondContact O-N 3.3Å; R614-R618 WeakPolarHBondContact O-CG 3.37Å; R614-R618 PolarHBondContact O-N 2.8Å; R614-R618 VanDerWaalsContact O-N 3.14Å; R614-F629 HydrophobicContact CG-CE2 4.02Å; R614-F629 HydrophobicContact CG-CZ 4.19Å; R614-F629 VanDerWaalsContact NH2-CE2 3.29Å
615	R	94.4	Very high	91.8	Very high	81 Å²	81	66.1 Å²	66.1	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-46.5	176.1	-70.2	-166.6	-65.9	-155.8	2.6	111	A335 A336 D522 N611 V612 A617 R618 S619	A335-R615 HydrophobicContact CB-CB 4.5Å; A335-R615 WeakPolarHBondContact O-CB 3.4Å; A336-R615 PolarHBondContact O-NH2 3.05Å; D522-R615 IonicContact OD1-NH1 2.63Å; D522-R615 PolarHBondContact OD1-NH1 3.05Å; N611-R615 WeakPolarHBondContact O-CG 3.36Å; N611-R615 PolarHBondContact O-N 2.75Å; V612-R615 PolarHBondContact O-N 3.14Å; R615-A617 PolarHBondContact O-N 2.78Å; R615-R618 PolarHBondContact O-N 2.88Å; R615-S619 PolarHBondContact O-N 2.89Å; R615-S619 VanDerWaalsContact O-N 3.12Å; R615-S619 PolarHBondContact O-OG 2.86Å
616	L	95.3	Very high	91.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177.1	-72.4	174.6	0	0	0	111.7	S332 M333 A336 L587 L590 V612 L613 R618 S619 N620	S332-L616 WeakPolarHBondContact O-CD2 3.48Å; M333-L616 HydrophobicContact CE-CD1 3.87Å; M333-L616 HydrophobicContact CE-CD2 4.41Å; M333-L616 HydrophobicContact SD-CD1 4.16Å; M333-L616 HydrophobicContact SD-CD2 4.1Å; A336-L616 HydrophobicContact CB-CD1 4.45Å; A336-L616 HydrophobicContact CB-CD2 4.03Å; A336-L616 HydrophobicContact CB-CG 4.43Å; L587-L616 HydrophobicContact CD2-CD1 3.85Å; L590-L616 HydrophobicContact CD2-CB 3.65Å; V612-L616 HydrophobicContact CG1-CD1 3.91Å; V612-L616 HydrophobicContact CG1-CG 4.35Å; V612-L616 WeakPolarHBondContact O-CG 2.82Å; V612-L616 PolarHBondContact O-N 2.97Å; L613-L616 PolarHBondContact O-N 2.78Å; L616-R618 PolarHBondContact O-N 3.08Å; L616-S619 PolarHBondContact O-N 2.9Å; L616-S619 PolarHBondContact O-OG 3.24Å; L616-N620 WeakPolarHBondContact O-CB 3.5Å; L616-N620 PolarHBondContact O-N 2.97Å; L616-N620 PolarHBondContact O-ND2 2.84Å
617	A	95.3	Very high	92.1	Very high	1 Å²	1	57 Å²	57	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-56.1	-50.7	176.8	0	0	0	0	0	112.2	L590 L613 R614 R615 S619 N620 D621 V622 L627	L590-A617 HydrophobicContact CD1-CB 3.75Å; L613-A617 WeakPolarHBondContact O-CB 3.09Å; L613-A617 PolarHBondContact O-N 3.18Å; R614-A617 PolarHBondContact O-N 3.3Å; R615-A617 PolarHBondContact O-N 2.78Å; A617-S619 VanDerWaalsContact C-N 3.32Å; A617-S619 PolarHBondContact O-N 3.23Å; A617-N620 CarbonylContact O-C 3.57Å; A617-N620 PolarHBondContact O-N 3.06Å; A617-D621 PolarHBondContact O-N 2.91Å; A617-V622 CarbonylContact C-O 3.51Å; A617-V622 HydrophobicContact CB-CB 4.11Å; A617-V622 HydrophobicContact CB-CG1 4.33Å; A617-V622 PolarHBondContact O-N 3.18Å; A617-L627 HydrophobicContact CB-CD2 4.12Å
618	R	94.1	Very high	92.2	Very high	159 Å²	159	55.7 Å²	55.7	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-58.7	-41.5	177.7	-67.5	174.6	-173.3	177.9	0.8	112.6	R614 R615 L616 N620 E624	R614-R618 WeakPolarHBondContact O-CG 3.37Å; R614-R618 PolarHBondContact O-N 2.8Å; R614-R618 VanDerWaalsContact O-N 3.14Å; R615-R618 PolarHBondContact O-N 2.88Å; L616-R618 PolarHBondContact O-N 3.08Å; R618-N620 VanDerWaalsContact C-N 3.29Å; R618-N620 PolarHBondContact O-N 3.44Å; R618-E624 HydrophobicContact CG-CG 4.36Å; R618-E624 IonicContact CZ-OE1 2.59Å; R618-E624 IonicContact NE-OE1 3.74Å; R618-E624 PolarHBondContact NE-OE1 2.9Å; R618-E624 IonicContact NH2-OE1 3.44Å; R618-E624 PolarHBondContact NH2-OE1 3.38Å; R618-E624 IonicContact NH2-OE2 3.02Å
619	S	94.8	Very high	92.3	Very high	55 Å²	55	51 Å²	51	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-75.3	-16.2	-179	68.3	0	0	0	0	114.5	A335 R615 L616 A617	A335-S619 VanDerWaalsContact CB-CB 3.47Å; A335-S619 WeakPolarHBondContact CB-OG 3.5Å; R615-S619 PolarHBondContact O-N 2.89Å; R615-S619 VanDerWaalsContact O-N 3.12Å; R615-S619 PolarHBondContact O-OG 2.86Å; L616-S619 PolarHBondContact O-N 2.9Å; L616-S619 PolarHBondContact O-OG 3.24Å; A617-S619 VanDerWaalsContact C-N 3.32Å; A617-S619 PolarHBondContact O-N 3.23Å
620	N	95.1	Very high	91.8	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.043	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	25.6	-176.7	-75.8	-78.3	0	0	0	112.4	L331 S332 R594 L616 A617 R618 V622	L331-N620 WeakPolarHBondContact CA-OD1 3.29Å; L331-N620 HydrophobicContact CD2-CB 3.93Å; S332-N620 PolarHBondContact N-OD1 3.12Å; S332-N620 PolarHBondContact O-ND2 3.25Å; R594-N620 PolarHBondContact NH1-OD1 3.26Å; L616-N620 WeakPolarHBondContact O-CB 3.5Å; L616-N620 PolarHBondContact O-N 2.97Å; L616-N620 PolarHBondContact O-ND2 2.84Å; A617-N620 CarbonylContact O-C 3.57Å; A617-N620 PolarHBondContact O-N 3.06Å; R618-N620 VanDerWaalsContact C-N 3.29Å; R618-N620 PolarHBondContact O-N 3.44Å; N620-V622 PolarHBondContact O-N 2.88Å
621	D	92.7	Very high	91.1	Very high	162 Å²	162	53.2 Å²	53.2	87%	0.866	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	27.1	177.7	-58.6	-47.5	0	0	0	114.8	A617	A617-D621 PolarHBondContact O-N 2.91Å
622	V	92.2	Very high	90.4	Very high	10 Å²	10	53.7 Å²	53.7	6%	0.061	26%	0.26	C	S	.	.			trans	-97	119.1	173.1	179.1	0	0	0	0	109.3	L590 A593 R594 A617 N620 H626	L590-V622 HydrophobicContact CD1-CB 3.84Å; L590-V622 HydrophobicContact CD1-CG1 3.93Å; L590-V622 HydrophobicContact CD1-CG2 3.69Å; A593-V622 HydrophobicContact CB-CG1 3.61Å; A593-V622 HydrophobicContact CB-CG2 4.44Å; R594-V622 HydrophobicContact CB-CG2 3.93Å; A617-V622 CarbonylContact C-O 3.51Å; A617-V622 HydrophobicContact CB-CB 4.11Å; A617-V622 HydrophobicContact CB-CG1 4.33Å; A617-V622 PolarHBondContact O-N 3.18Å; N620-V622 PolarHBondContact O-N 2.88Å; V622-H626 HydrophobicContact CG1-CB 4.26Å
623	S	86.9	Confident	88.9	Confident	55 Å²	55	59.5 Å²	59.5	39%	0.385	29%	0.286	S	S	.	.			trans	-58.8	137.3	173.3	178.3	0	0	0	0	110.6	Q625 H626	S623-Q625 PolarHBondContact O-N 2.71Å; S623-Q625 VanDerWaalsContact O-N 3.11Å; S623-Q625 PolarHBondContact OG-N 2.88Å; S623-H626 WeakPolarHBondContact O-CB 3.22Å; S623-H626 PolarHBondContact O-N 2.83Å
624	E	78.1	Confident	87.3	Confident	94 Å²	94	61 Å²	61	44%	0.439	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.5	176.8	-63.3	-162.9	135.1	0	0	113	R618 H626 L627	R618-E624 HydrophobicContact CG-CG 4.36Å; R618-E624 IonicContact CZ-OE1 2.59Å; R618-E624 IonicContact NE-OE1 3.74Å; R618-E624 PolarHBondContact NE-OE1 2.9Å; R618-E624 IonicContact NH2-OE1 3.44Å; R618-E624 PolarHBondContact NH2-OE1 3.38Å; R618-E624 IonicContact NH2-OE2 3.02Å; E624-H626 PolarHBondContact O-N 2.97Å; E624-L627 PolarHBondContact O-N 2.95Å; E624-L627 VanDerWaalsContact O-O 3.08Å
625	Q	84.5	Confident	85.1	Confident	151 Å²	151	67.3 Å²	67.3	71%	0.706	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.9	-13.6	177.2	-60.6	179.9	-4.3	0	0	113.1	S623	S623-Q625 PolarHBondContact O-N 2.71Å; S623-Q625 VanDerWaalsContact O-N 3.11Å; S623-Q625 PolarHBondContact OG-N 2.88Å
626	H	90.1	Very high	83	Confident	51 Å²	51	66.8 Å²	66.8	24%	0.236	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-97.5	-1.4	179	-65.4	175.2	0	0	0	113.1	V598 A600 V622 S623 E624	V598-H626 WeakPolarHBondContact O-CB 3.46Å; A600-H626 PolarHBondContact N-O 3.24Å; V622-H626 HydrophobicContact CG1-CB 4.26Å; S623-H626 WeakPolarHBondContact O-CB 3.22Å; S623-H626 PolarHBondContact O-N 2.83Å; E624-H626 PolarHBondContact O-N 2.97Å
627	L	93.5	Very high	80.5	Confident	12 Å²	12	76.5 Å²	76.5	6%	0.063	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112	174.2	-179.8	66.4	0	0	0	109.8	A600 L613 A617 E624 F629	A600-L627 WeakPolarHBondContact O-CA 3.07Å; L613-L627 HydrophobicContact CB-CD2 4.18Å; A617-L627 HydrophobicContact CB-CD2 4.12Å; E624-L627 PolarHBondContact O-N 2.95Å; E624-L627 VanDerWaalsContact O-O 3.08Å; L627-F629 HydrophobicContact CD2-CZ 4.32Å
628	E	93.4	Very high	78.2	Confident	53 Å²	53	84.2 Å²	84.2	25%	0.248	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	159.8	174.1	-72.8	-173.1	-176.7	0	0	111.1	K599 A600 Y601 S602	K599-E628 WeakPolarHBondContact CE-OE1 3.46Å; K599-E628 IonicContact NZ-OE1 2.99Å; K599-E628 PolarHBondContact NZ-OE1 3.3Å; K599-E628 IonicContact NZ-OE2 2.64Å; K599-E628 PolarHBondContact NZ-OE2 2.59Å; A600-E628 PolarHBondContact O-N 3.11Å; Y601-E628 CarbonylContact C-O 3.24Å; Y601-E628 WeakPolarHBondContact CA-O 3.17Å; Y601-E628 HydrophobicContact CD1-CB 3.76Å; Y601-E628 HydrophobicContact CE1-CB 3.64Å; Y601-E628 HydrophobicContact CE1-CG 4.36Å; Y601-E628 WeakPolarHBondContact CE1-OE2 3.44Å; Y601-E628 HydrophobicContact CG-CB 4.38Å; Y601-E628 PolarHBondContact OH-OE2 3.44Å; S602-E628 PolarHBondContact N-O 2.88Å
629	F	91.9	Very high	76.3	Confident	10 Å²	10	78 Å²	78	4%	0.044	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106.6	179	-63.4	-82.4	0	0	0	108.6	S602 Q610 L613 R614 L627 L631 N632 H633	S602-F629 CarbonylContact O-C 3.54Å; S602-F629 WeakPolarHBondContact O-CA 3.5Å; Q610-F629 HydrophobicContact CB-CD1 4.07Å; Q610-F629 HydrophobicContact CB-CE1 3.61Å; Q610-F629 HydrophobicContact CB-CE2 4.16Å; Q610-F629 HydrophobicContact CB-CZ 3.65Å; Q610-F629 HydrophobicContact CG-CD1 3.51Å; Q610-F629 HydrophobicContact CG-CE1 3.52Å; Q610-F629 HydrophobicContact CG-CG 4.04Å; Q610-F629 HydrophobicContact CG-CZ 4.07Å; L613-F629 HydrophobicContact CB-CE1 4.37Å; L613-F629 HydrophobicContact CB-CZ 4.2Å; L613-F629 HydrophobicContact CD1-CE1 3.94Å; R614-F629 HydrophobicContact CG-CE2 4.02Å; R614-F629 HydrophobicContact CG-CZ 4.19Å; R614-F629 VanDerWaalsContact NH2-CE2 3.29Å; L627-F629 HydrophobicContact CD2-CZ 4.32Å; F629-L631 PolarHBondContact O-N 2.94Å; F629-N632 WeakPolarHBondContact O-CB 3.19Å; F629-N632 PolarHBondContact O-N 3.17Å; F629-H633 PolarHBondContact O-CD2 2.89Å; F629-H633 VanDerWaalsContact O-CD2 3.25Å
630	W	84.3	Confident	75	Confident	18 Å²	18	80 Å²	80	7%	0.068	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-57.2	-46.7	-168.7	175.3	-110.4	0	0	0	112.8	L579 Y601 S602 N632 H633 T634 Q642 W650	L579-W630 HydrophobicContact CD1-CB 4.01Å; L579-W630 HydrophobicContact CD1-CD2 4.2Å; L579-W630 HydrophobicContact CD1-CG 3.93Å; Y601-W630 AromaticContact CD1-CE3 3.95Å; Y601-W630 HydrophobicContact CD1-CE3 3.95Å; Y601-W630 HydrophobicContact CE1-CE3 4.38Å; S602-W630 PolarHBondContact O-N 3.28Å; W630-N632 PolarHBondContact O-N 3.33Å; W630-H633 WeakPolarHBondContact O-CB 3.49Å; W630-H633 PolarHBondContact O-N 3.44Å; W630-T634 HydrophobicContact CZ2-CG2 4.11Å; W630-Q642 HydrophobicContact CH2-CB 3.94Å; W630-Q642 HydrophobicContact CZ2-CB 3.89Å; W630-W650 HydrophobicContact CE3-CH2 4.32Å; W630-W650 HydrophobicContact CE3-CZ2 4.22Å; W630-W650 HydrophobicContact CH2-CZ2 4.38Å; W630-W650 HydrophobicContact CZ3-CH2 4.33Å; W630-W650 AromaticContact CZ3-CZ2 3.95Å; W630-W650 HydrophobicContact CZ3-CZ2 3.95Å
631	L	79	Confident	74.4	Confident	44 Å²	44	80.3 Å²	80.3	23%	0.23	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-69.5	-15.1	-175.1	-61.8	175	0	0	0	113.5	S603 E605 F629 H633 T634	S603-L631 WeakPolarHBondContact O-CD1 3.5Å; E605-L631 HydrophobicContact CG-CD1 3.29Å; F629-L631 PolarHBondContact O-N 2.94Å; L631-H633 PolarHBondContact O-N 3.17Å; L631-T634 PolarHBondContact O-OG1 3.36Å
632	N	78.4	Confident	74	Confident	91 Å²	91	76.9 Å²	76.9	49%	0.487	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-72.5	-11.4	171.7	-63.8	0	0	0	0	112.3	Q610 F629 W630	Q610-N632 PolarHBondContact NE2-OD1 3.31Å; Q610-N632 VanDerWaalsContact NE2-OD1 3.11Å; Q610-N632 PolarHBondContact OE1-ND2 3.2Å; F629-N632 WeakPolarHBondContact O-CB 3.19Å; F629-N632 PolarHBondContact O-N 3.17Å; W630-N632 PolarHBondContact O-N 3.33Å
633	H	63.5	Low	73.6	Confident	123 Å²	123	82.1 Å²	82.1	57%	0.569	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-112.7	-1.5	-174.5	-61.7	-65.2	0	0	0	113.8	F629 W630 L631	F629-H633 PolarHBondContact O-CD2 2.89Å; F629-H633 VanDerWaalsContact O-CD2 3.25Å; W630-H633 WeakPolarHBondContact O-CB 3.49Å; W630-H633 PolarHBondContact O-N 3.44Å; L631-H633 PolarHBondContact O-N 3.17Å
634	T	60	Low	73.3	Confident	30 Å²	30	80.5 Å²	80.5	18%	0.184	39%	0.39	C	S	.	.			trans	-98.2	114	178.6	49.6	0	0	0	0	110.1	W630 L631 D636	W630-T634 HydrophobicContact CZ2-CG2 4.11Å; L631-T634 PolarHBondContact O-OG1 3.36Å; T634-D636 PolarHBondContact O-N 3.5Å
635	E	50.5	Low	73.5	Confident	205 Å²	205	78.7 Å²	78.7	96%	0.958	39%	0.388	S	S	*	.			trans	-72.9	-8	171.7	-67.3	-175.7	169.7	0	0	112.8
636	D	48.6	Very low	73	Confident	71 Å²	71	82.8 Å²	82.8	38%	0.38	40%	0.396	S	S	.	.	S	Bend	trans	-94.4	121.4	-176.4	-156.8	-6.3	0	0	0	109.7	T634 Q638 G639	T634-D636 PolarHBondContact O-N 3.5Å; D636-Q638 PolarHBondContact O-N 3.4Å; D636-G639 PolarHBondContact O-N 2.64Å
637	E	44.4	Very low	72.6	Confident	204 Å²	204	89 Å²	89	95%	0.953	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.3	177.3	-68.6	-173.9	166.4	0	0	112.5
638	Q	46.8	Very low	72.3	Confident	163 Å²	163	91 Å²	91	76%	0.762	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.3	-177.9	-61	-176.1	6	0	0	115.3	D636 M640	D636-Q638 PolarHBondContact O-N 3.4Å; Q638-M640 VanDerWaalsContact C-N 3.26Å; Q638-M640 PolarHBondContact O-N 2.76Å; Q638-M640 VanDerWaalsContact O-N 3.17Å
639	G	53.8	Low	72.3	Confident	29 Å²	29	90.9 Å²	90.9	30%	0.299	44%	0.435	S	S	.	.			trans	57.6	34.2	173.9	0	0	0	0	0	114.6	D636	D636-G639 PolarHBondContact O-N 2.64Å
640	M	67.3	Low	72.5	Confident	95 Å²	95	90.4 Å²	90.4	47%	0.468	43%	0.433	S	S	.	.			trans	-60.4	139.3	-172.7	-164.9	-177.6	178.5	0	0	112.1	Q638 Q642 L674	Q638-M640 VanDerWaalsContact C-N 3.26Å; Q638-M640 PolarHBondContact O-N 2.76Å; Q638-M640 VanDerWaalsContact O-N 3.17Å; M640-Q642 PolarHBondContact O-N 3.04Å; M640-L674 HydrophobicContact CE-CD2 4.05Å; M640-L674 HydrophobicContact CG-CD2 4.17Å
641	L	82.1	Confident	73	Confident	15 Å²	15	89.7 Å²	89.7	8%	0.079	43%	0.43	C	S	.	.			trans	-67.1	122.8	174.8	-63.1	172.2	0	0	0	110.1	L579 V581 L655 K671 L674 A675 L678	L579-L641 HydrophobicContact CD2-CD2 3.86Å; V581-L641 HydrophobicContact CG1-CD2 4.06Å; V581-L641 HydrophobicContact CG2-CD2 3.7Å; L641-L655 HydrophobicContact CD1-CD2 4.48Å; L641-K671 HydrophobicContact CD1-CB 4.33Å; L641-L674 HydrophobicContact CB-CD2 3.7Å; L641-L674 HydrophobicContact CB-CG 4.01Å; L641-L674 HydrophobicContact CG-CD2 4.46Å; L641-A675 HydrophobicContact CD1-CB 4.26Å; L641-L678 HydrophobicContact CB-CD1 3.79Å
642	Q	85.3	Confident	73.9	Confident	90 Å²	90	87.7 Å²	87.7	42%	0.421	42%	0.42	S	S	.	.			trans	-133	174.8	-179.7	-60	179.6	16.5	0	0	111	W630 M640 W650	W630-Q642 HydrophobicContact CH2-CB 3.94Å; W630-Q642 HydrophobicContact CZ2-CB 3.89Å; M640-Q642 PolarHBondContact O-N 3.04Å; Q642-W650 PolarHBondContact O-NE1 3.36Å
643	R	83.9	Confident	74.8	Confident	121 Å²	121	83.3 Å²	83.3	46%	0.457	40%	0.397	S	S	.	.			trans	-70.3	149.6	174.4	-66.3	-173.8	178.6	-175.4	-3.2	110.5	S645 L649 L678	R643-S645 WeakPolarHBondContact CB-O 3.14Å; R643-S645 PolarHBondContact O-N 3.46Å; R643-L649 HydrophobicContact CG-CD2 4.24Å; R643-L678 HydrophobicContact CG-CD2 3.69Å
644	P	80.8	Confident	76.4	Confident	21 Å²	21	77.5 Å²	77.5	14%	0.136	37%	0.37	C	S	.	.	S	Bend	trans	-64.5	-29.4	176.4	19.9	-23.8	0	0	0	112.2	Y577 K648 W650	Y577-P644 HydrophobicContact CD1-CB 3.87Å; Y577-P644 HydrophobicContact CD1-CG 4.1Å; Y577-P644 HydrophobicContact CE1-CB 4.4Å; Y577-P644 HydrophobicContact CG-CB 4.43Å; Y577-P644 HydrophobicContact CG-CG 4.17Å; P644-K648 HydrophobicContact CG-CB 3.8Å; P644-W650 HydrophobicContact CB-CD2 4.49Å; P644-W650 HydrophobicContact CB-CE3 4.36Å; P644-W650 HydrophobicContact CB-CH2 3.61Å; P644-W650 HydrophobicContact CB-CZ2 3.74Å; P644-W650 HydrophobicContact CB-CZ3 3.93Å; P644-W650 VanDerWaalsContact CD-CE2 3.49Å; P644-W650 HydrophobicContact CG-CD2 4.02Å; P644-W650 HydrophobicContact CG-CE3 4.13Å; P644-W650 HydrophobicContact CG-CH2 4.19Å; P644-W650 HydrophobicContact CG-CZ2 4.07Å; P644-W650 HydrophobicContact CG-CZ3 4.21Å
645	S	80.9	Confident	78.1	Confident	56 Å²	56	76.4 Å²	76.4	39%	0.392	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-157.7	172.5	167.5	74.6	0	0	0	0	109.9	R643 E647 K648	R643-S645 WeakPolarHBondContact CB-O 3.14Å; R643-S645 PolarHBondContact O-N 3.46Å; S645-E647 PolarHBondContact O-N 2.97Å; S645-K648 PolarHBondContact O-N 3.09Å; S645-K648 WeakPolarHBondContact OG-CB 3.25Å; S645-K648 WeakPolarHBondContact OG-CG 3.11Å
646	R	75.4	Confident	80.1	Confident	236 Å²	236	68.3 Å²	68.3	89%	0.891	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.7	-177.1	-72.6	-174.5	175.7	-174.9	-0.9	113.8
647	E	81.3	Confident	82.2	Confident	181 Å²	181	65.1 Å²	65.1	85%	0.846	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-3.8	-172.9	-61.6	-175.6	178.1	0	0	114.1	S645	S645-E647 PolarHBondContact O-N 2.97Å
648	K	86.9	Confident	84.5	Confident	54 Å²	54	55.4 Å²	55.4	24%	0.235	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-110	152.8	-173.9	-62.5	-68.6	-171.1	165.4	0	111.3	D572 Y577 P644 S645	D572-K648 PolarHBondContact O-NZ 3.21Å; Y577-K648 HydrophobicContact CE2-CB 4.41Å; Y577-K648 HydrophobicContact CE2-CD 3.85Å; Y577-K648 HydrophobicContact CE2-CG 4.16Å; P644-K648 HydrophobicContact CG-CB 3.8Å; S645-K648 PolarHBondContact O-N 3.09Å; S645-K648 WeakPolarHBondContact OG-CB 3.25Å; S645-K648 WeakPolarHBondContact OG-CG 3.11Å
649	L	92.8	Very high	86.7	Confident	52 Å²	52	49.8 Å²	49.8	27%	0.272	24%	0.238	S	C	.	.			trans	-126.7	159.1	175.9	-68	169.9	0	0	0	108.7	R643 L678 E680	R643-L649 HydrophobicContact CG-CD2 4.24Å; L649-L678 WeakPolarHBondContact CB-O 3.32Å; L649-L678 WeakPolarHBondContact CD2-O 3.13Å; L649-E680 HydrophobicContact CB-CB 3.84Å; L649-E680 HydrophobicContact CD1-CB 4.5Å
650	W	95.6	Very high	88.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.8	179.8	-61.4	110.7	0	0	0	111.1	L579 Y601 W630 Q642 P644 I653 L678 L679 E680	L579-W650 HydrophobicContact CB-CD2 3.8Å; L579-W650 HydrophobicContact CB-CE3 3.66Å; L579-W650 HydrophobicContact CB-CH2 3.88Å; L579-W650 HydrophobicContact CB-CZ2 4.01Å; L579-W650 HydrophobicContact CB-CZ3 3.71Å; L579-W650 HydrophobicContact CD1-CH2 4.07Å; L579-W650 HydrophobicContact CD1-CZ2 4.22Å; L579-W650 HydrophobicContact CD2-CD2 4.49Å; L579-W650 HydrophobicContact CD2-CH2 4.44Å; L579-W650 HydrophobicContact CD2-CZ2 3.86Å; L579-W650 HydrophobicContact CG-CH2 4.34Å; L579-W650 HydrophobicContact CG-CZ2 4.25Å; Y601-W650 HydrophobicContact CD1-CH2 4.18Å; Y601-W650 AromaticContact CD2-CH2 3.56Å; Y601-W650 HydrophobicContact CD2-CH2 3.56Å; Y601-W650 AromaticContact CD2-CZ3 3.42Å; Y601-W650 HydrophobicContact CD2-CZ3 3.42Å; Y601-W650 VanDerWaalsContact CD2-CZ3 3.42Å; Y601-W650 HydrophobicContact CE2-CH2 4Å; Y601-W650 AromaticContact CE2-CZ3 3.93Å; Y601-W650 HydrophobicContact CE2-CZ3 3.93Å; Y601-W650 AromaticContact CG-CH2 3.66Å; Y601-W650 HydrophobicContact CG-CH2 3.66Å; Y601-W650 AromaticContact CG-CZ3 3.94Å; Y601-W650 HydrophobicContact CG-CZ3 3.94Å; W630-W650 HydrophobicContact CE3-CH2 4.32Å; W630-W650 HydrophobicContact CE3-CZ2 4.22Å; W630-W650 HydrophobicContact CH2-CZ2 4.38Å; W630-W650 HydrophobicContact CZ3-CH2 4.33Å; W630-W650 AromaticContact CZ3-CZ2 3.95Å; W630-W650 HydrophobicContact CZ3-CZ2 3.95Å; Q642-W650 PolarHBondContact O-NE1 3.36Å; P644-W650 HydrophobicContact CB-CD2 4.49Å; P644-W650 HydrophobicContact CB-CE3 4.36Å; P644-W650 HydrophobicContact CB-CH2 3.61Å; P644-W650 HydrophobicContact CB-CZ2 3.74Å; P644-W650 HydrophobicContact CB-CZ3 3.93Å; P644-W650 VanDerWaalsContact CD-CE2 3.49Å; P644-W650 HydrophobicContact CG-CD2 4.02Å; P644-W650 HydrophobicContact CG-CE3 4.13Å; P644-W650 HydrophobicContact CG-CH2 4.19Å; P644-W650 HydrophobicContact CG-CZ2 4.07Å; P644-W650 HydrophobicContact CG-CZ3 4.21Å; W650-I653 HydrophobicContact CB-CD1 3.96Å; W650-I653 HydrophobicContact CB-CG1 3.61Å; W650-I653 HydrophobicContact CG-CD1 3.97Å; W650-I653 HydrophobicContact CG-CG1 3.77Å; W650-L678 PolarHBondContact N-O 2.74Å; W650-L679 HydrophobicContact CB-CD2 4.12Å; W650-L679 CarbonylContact O-C 3.58Å; W650-L679 VanDerWaalsContact O-CA 3.29Å; W650-L679 WeakPolarHBondContact O-CA 3.42Å; W650-L679 WeakPolarHBondContact O-CD2 3.38Å; W650-E680 PolarHBondContact O-N 3.29Å
651	S	96.1	Very high	89.6	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-36.7	168.7	-53.6	0	0	0	0	111	L576 Y577 E680 G683 R684	L576-S651 WeakPolarHBondContact CA-OG 3.3Å; L576-S651 WeakPolarHBondContact CB-OG 3.43Å; L576-S651 WeakPolarHBondContact CD2-OG 3.28Å; Y577-S651 PolarHBondContact N-OG 3.41Å; Y577-S651 VanDerWaalsContact N-OG 3.15Å; Y577-S651 WeakPolarHBondContact O-CA 3.46Å; Y577-S651 WeakPolarHBondContact O-CB 3.27Å; Y577-S651 PolarHBondContact O-N 3.04Å; S651-E680 VanDerWaalsContact CB-OE1 3.29Å; S651-E680 WeakPolarHBondContact CB-OE1 3.35Å; S651-E680 PolarHBondContact OG-OE1 2.91Å; S651-G683 WeakPolarHBondContact O-CA 3.43Å; S651-R684 PolarHBondContact O-N 3.04Å; S651-R684 VanDerWaalsContact O-N 3.14Å
652	A	97.3	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.8	171.7	0	0	0	0	0	111.7	L547 L550 Y577 V578 L579 R684 F686	L547-A652 HydrophobicContact CD2-CB 4.48Å; L550-A652 HydrophobicContact CD2-CB 3.79Å; Y577-A652 PolarHBondContact O-N 2.97Å; V578-A652 WeakPolarHBondContact CA-O 3.44Å; V578-A652 HydrophobicContact CG1-CB 4.24Å; V578-A652 HydrophobicContact CG2-CB 4.13Å; L579-A652 PolarHBondContact N-O 3.45Å; A652-R684 VanDerWaalsContact CA-O 3.26Å; A652-R684 WeakPolarHBondContact CA-O 3.42Å; A652-F686 HydrophobicContact CB-CD2 4.05Å; A652-F686 HydrophobicContact CB-CE2 3.92Å
653	I	97.6	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.6	170	-59	170.2	0	0	0	107.4	L579 V581 W650 L655 A675 L678 L679 R684 I685 F686	L579-I653 HydrophobicContact CB-CG1 4.42Å; L579-I653 HydrophobicContact CD2-CG2 4.45Å; L579-I653 CarbonylContact O-C 3.47Å; L579-I653 WeakPolarHBondContact O-CA 3.43Å; V581-I653 HydrophobicContact CG2-CG2 3.96Å; W650-I653 HydrophobicContact CB-CD1 3.96Å; W650-I653 HydrophobicContact CB-CG1 3.61Å; W650-I653 HydrophobicContact CG-CD1 3.97Å; W650-I653 HydrophobicContact CG-CG1 3.77Å; I653-L655 HydrophobicContact CG2-CD2 3.79Å; I653-L655 HydrophobicContact CG2-CG 4.29Å; I653-A675 HydrophobicContact CB-CB 4.45Å; I653-A675 HydrophobicContact CD1-CB 3.71Å; I653-A675 WeakPolarHBondContact CD1-O 3.22Å; I653-A675 HydrophobicContact CG2-CB 4.15Å; I653-L678 HydrophobicContact CD1-CB 4.18Å; I653-L679 HydrophobicContact CD1-CD2 3.96Å; I653-L679 HydrophobicContact CD1-CG 4.27Å; I653-L679 HydrophobicContact CG1-CD2 3.91Å; I653-R684 PolarHBondContact N-O 3.3Å; I653-R684 VanDerWaalsContact N-O 3.09Å; I653-I685 CarbonylContact O-C 3.47Å; I653-I685 VanDerWaalsContact O-CA 3.28Å; I653-I685 WeakPolarHBondContact O-CA 3.15Å; I653-F686 PolarHBondContact O-N 3.32Å
654	I	97.6	Very high	90.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.6	177.1	-57.3	160.2	0	0	0	107.7	F543 V578 L579 D580 V581 L588 F686	F543-I654 HydrophobicContact CE1-CG2 3.86Å; V578-I654 HydrophobicContact CG1-CD1 4.18Å; L579-I654 PolarHBondContact O-N 2.84Å; D580-I654 HydrophobicContact CB-CD1 4.39Å; V581-I654 WeakPolarHBondContact CA-O 3.41Å; V581-I654 VanDerWaalsContact CB-O 3.31Å; V581-I654 WeakPolarHBondContact CB-O 3.48Å; V581-I654 WeakPolarHBondContact CG2-O 3.29Å; V581-I654 PolarHBondContact N-O 3.38Å; L588-I654 HydrophobicContact CB-CD1 3.91Å; L588-I654 HydrophobicContact CD1-CD1 4.24Å; L588-I654 HydrophobicContact CD1-CG2 3.76Å; I654-F686 CarbonylContact C-O 3.55Å; I654-F686 WeakPolarHBondContact CA-O 3.37Å; I654-F686 HydrophobicContact CG1-CB 4.12Å; I654-F686 HydrophobicContact CG1-CD2 4.36Å
655	L	95.1	Very high	91.3	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.8	178.4	-61.2	-178	0	0	0	109.8	V581 L641 I653 C657 L668 A672 A675 I685 F686	V581-L655 HydrophobicContact CB-CD2 4.14Å; V581-L655 HydrophobicContact CG2-CD2 4.04Å; L641-L655 HydrophobicContact CD1-CD2 4.48Å; I653-L655 HydrophobicContact CG2-CD2 3.79Å; I653-L655 HydrophobicContact CG2-CG 4.29Å; L655-C657 PolarHBondContact O-SG 3.4Å; L655-L668 HydrophobicContact CD1-CD1 4.48Å; L655-A672 HydrophobicContact CD1-CB 4.12Å; L655-A675 HydrophobicContact CD1-CB 4.45Å; L655-I685 HydrophobicContact CD1-CG2 3.69Å; L655-I685 HydrophobicContact CG-CG2 3.89Å; L655-F686 PolarHBondContact N-O 3.5Å
656	D	91.8	Very high	91.5	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.182	19%	0.186	C	C	.	.			trans	-73.9	126.2	163	-173.2	8.8	0	0	0	109.7	V658 R665	D656-V658 PolarHBondContact OD1-N 3.4Å; D656-R665 IonicContact OD1-NE 3.53Å; D656-R665 IonicContact OD2-CZ 3.25Å; D656-R665 IonicContact OD2-NE 2.75Å; D656-R665 PolarHBondContact OD2-NE 2.94Å; D656-R665 IonicContact OD2-NH2 3.6Å; D656-R665 PolarHBondContact OD2-NH2 3.41Å
657	C	93.1	Very high	91.9	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.027	17%	0.171	C	C	.	.			trans	-118.1	-24	-167.2	-65	0	0	0	0	114	L655 R665 L668 P687 I690	L655-C657 PolarHBondContact O-SG 3.4Å; C657-R665 VanDerWaalsContact C-CG 3.48Å; C657-R665 PolarHBondContact O-N 3.36Å; C657-L668 HydrophobicContact CB-CD1 4.23Å; C657-L668 HydrophobicContact CB-CD2 3.92Å; C657-P687 HydrophobicContact CB-CG 4.42Å; C657-P687 WeakPolarHBondContact SG-CD 3.18Å; C657-P687 VanDerWaalsContact SG-CG 3.52Å; C657-I690 HydrophobicContact CB-CD1 3.43Å; C657-I690 VanDerWaalsContact CB-CD1 3.43Å; C657-I690 HydrophobicContact CB-CG1 4.37Å
658	V	93.4	Very high	92.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-130.9	125.4	-172.7	-178	0	0	0	0	107.9	D656 L663 Y784 I786 W803	D656-V658 PolarHBondContact OD1-N 3.4Å; V658-L663 CarbonylContact C-O 3.53Å; V658-L663 WeakPolarHBondContact CA-O 3.3Å; V658-Y784 HydrophobicContact CG1-CD2 3.71Å; V658-Y784 HydrophobicContact CG1-CE2 3.65Å; V658-Y784 HydrophobicContact CG2-CD1 4.31Å; V658-Y784 HydrophobicContact CG2-CD2 3.95Å; V658-Y784 HydrophobicContact CG2-CE2 4.32Å; V658-Y784 HydrophobicContact CG2-CG 3.95Å; V658-I786 HydrophobicContact CG2-CD1 4.29Å; V658-W803 HydrophobicContact CG1-CG 4.33Å; V658-W803 PolarHBondContact O-NE1 3.28Å
659	E	92.9	Very high	92.3	Very high	45 Å²	45	27.2 Å²	27.2	21%	0.21	13%	0.133	C	C	.	.			trans	-70.2	151.2	173.8	-67	-178.3	-170.4	0	0	110.3	C661 G662 L663 R665	E659-C661 VanDerWaalsContact CB-SG 3.58Å; E659-C661 PolarHBondContact O-N 3.35Å; E659-G662 PolarHBondContact O-N 3.41Å; E659-L663 PolarHBondContact N-O 2.93Å; E659-R665 HydrophobicContact CG-CG 4.02Å
660	T	91.9	Very high	92	Very high	48 Å²	48	30.7 Å²	30.7	29%	0.294	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.9	179.6	52.8	0	0	0	0	113	G662 K804	T660-G662 VanDerWaalsContact C-N 3.31Å; T660-G662 PolarHBondContact O-N 3.36Å; T660-K804 WeakPolarHBondContact O-CB 3.41Å; T660-K804 PolarHBondContact O-N 3.31Å
661	C	90.6	Very high	91.8	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.061	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9	177.2	72.3	0	0	0	0	114.5	E659 V732 F733	E659-C661 VanDerWaalsContact CB-SG 3.58Å; E659-C661 PolarHBondContact O-N 3.35Å; C661-V732 HydrophobicContact CB-CB 4.03Å; C661-V732 HydrophobicContact CB-CG2 4.41Å; C661-V732 WeakPolarHBondContact O-CB 3.34Å; C661-F733 HydrophobicContact CB-CD1 3.92Å; C661-F733 HydrophobicContact CB-CD2 3.97Å; C661-F733 HydrophobicContact CB-CE1 3.57Å; C661-F733 HydrophobicContact CB-CE2 3.61Å; C661-F733 HydrophobicContact CB-CG 4.11Å; C661-F733 HydrophobicContact CB-CZ 3.41Å; C661-F733 VanDerWaalsContact CB-CZ 3.41Å; C661-F733 PolarHBondContact O-N 3.05Å
662	G	92.6	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	95.4	12.2	-180	0	0	0	0	0	115.1	E659 T660 Y784 K804	E659-G662 PolarHBondContact O-N 3.41Å; T660-G662 VanDerWaalsContact C-N 3.31Å; T660-G662 PolarHBondContact O-N 3.36Å; G662-Y784 WeakPolarHBondContact O-CE2 3.4Å; G662-Y784 PolarHBondContact O-OH 3.25Å; G662-K804 WeakPolarHBondContact CA-O 3.27Å
663	L	92.1	Very high	91.2	Very high	33 Å²	33	35.7 Å²	35.7	17%	0.173	17%	0.174	C	C	.	.	S	Bend	trans	-98.4	162.8	174.1	-61.2	-176.7	0	0	0	112.3	V658 E659 V730 V732 F782 A806	V658-L663 CarbonylContact C-O 3.53Å; V658-L663 WeakPolarHBondContact CA-O 3.3Å; E659-L663 PolarHBondContact N-O 2.93Å; L663-V730 HydrophobicContact CD2-CG1 3.94Å; L663-V732 HydrophobicContact CD1-CG1 3.87Å; L663-V732 HydrophobicContact CD2-CG1 3.81Å; L663-V732 HydrophobicContact CG-CG1 3.69Å; L663-F782 HydrophobicContact CD2-CZ 4.33Å; L663-A806 HydrophobicContact CD2-CB 4.34Å
664	V	91.9	Very high	90.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-75.1	138.2	172.5	-180	0	0	0	0	109.2	L668 L753 Y784 S831 I833	V664-L668 HydrophobicContact CG1-CB 4.34Å; V664-L668 HydrophobicContact CG1-CD2 3.65Å; V664-L753 HydrophobicContact CG1-CD1 4.34Å; V664-Y784 HydrophobicContact CG2-CE1 3.8Å; V664-S831 WeakPolarHBondContact O-CB 3.47Å; V664-I833 HydrophobicContact CG2-CD1 4.18Å
665	R	89.8	Confident	90.7	Very high	39 Å²	39	38 Å²	38	15%	0.147	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-58.9	138.3	177.7	-77.1	-82.1	-175	-173.8	14.4	112.2	E583 D656 C657 E659 L668	E583-R665 IonicContact OE1-CZ 2.75Å; E583-R665 IonicContact OE1-NE 3.8Å; E583-R665 IonicContact OE1-NH1 2.9Å; E583-R665 PolarHBondContact OE1-NH1 3.13Å; E583-R665 IonicContact OE2-CZ 2.85Å; E583-R665 IonicContact OE2-NH1 3.99Å; E583-R665 PolarHBondContact OE2-NH1 3.28Å; E583-R665 IonicContact OE2-NH2 3.79Å; E583-R665 PolarHBondContact OE2-NH2 2.95Å; D656-R665 IonicContact OD1-NE 3.53Å; D656-R665 IonicContact OD2-CZ 3.25Å; D656-R665 IonicContact OD2-NE 2.75Å; D656-R665 PolarHBondContact OD2-NE 2.94Å; D656-R665 IonicContact OD2-NH2 3.6Å; D656-R665 PolarHBondContact OD2-NH2 3.41Å; C657-R665 VanDerWaalsContact C-CG 3.48Å; C657-R665 PolarHBondContact O-N 3.36Å; E659-R665 HydrophobicContact CG-CG 4.02Å; R665-L668 HydrophobicContact CB-CB 4.49Å; R665-L668 VanDerWaalsContact O-CB 3.3Å; R665-L668 WeakPolarHBondContact O-CB 3.23Å; R665-L668 PolarHBondContact O-N 3.48Å
666	Q	85	Confident	90.6	Very high	100 Å²	100	41 Å²	41	47%	0.467	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.6	174.2	-70.5	-174.4	17.6	0	0	112.3	L668 S831	Q666-L668 PolarHBondContact O-N 2.95Å; Q666-S831 WeakPolarHBondContact CG-OG 3.25Å
667	K	85.4	Confident	90.7	Very high	133 Å²	133	46.8 Å²	46.8	58%	0.578	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	18.8	-179.6	-57.5	-178	175.6	-177.1	0	114.5	M669 E670 K671	K667-M669 VanDerWaalsContact C-N 3.25Å; K667-M669 PolarHBondContact O-N 3.13Å; K667-E670 HydrophobicContact CB-CB 4.35Å; K667-E670 WeakPolarHBondContact CD-OE2 3.37Å; K667-E670 WeakPolarHBondContact CG-OE2 3.46Å; K667-E670 WeakPolarHBondContact O-CB 3.48Å; K667-E670 PolarHBondContact O-N 2.86Å; K667-E670 VanDerWaalsContact O-N 3.09Å; K667-K671 PolarHBondContact O-N 3.43Å
668	L	89.3	Confident	90.7	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-52.7	-44.2	179.8	175.7	59.9	0	0	0	112.1	L655 C657 V664 R665 Q666 E670 K671 A672 I690 L755	L655-L668 HydrophobicContact CD1-CD1 4.48Å; C657-L668 HydrophobicContact CB-CD1 4.23Å; C657-L668 HydrophobicContact CB-CD2 3.92Å; V664-L668 HydrophobicContact CG1-CB 4.34Å; V664-L668 HydrophobicContact CG1-CD2 3.65Å; R665-L668 HydrophobicContact CB-CB 4.49Å; R665-L668 VanDerWaalsContact O-CB 3.3Å; R665-L668 WeakPolarHBondContact O-CB 3.23Å; R665-L668 PolarHBondContact O-N 3.48Å; Q666-L668 PolarHBondContact O-N 2.95Å; L668-E670 PolarHBondContact O-N 2.97Å; L668-K671 PolarHBondContact O-N 3.36Å; L668-A672 WeakPolarHBondContact O-CB 3.44Å; L668-A672 PolarHBondContact O-N 2.6Å; L668-I690 HydrophobicContact CD2-CD1 3.79Å; L668-L755 HydrophobicContact CD1-CD2 4Å; L668-L755 HydrophobicContact CD2-CD2 4.16Å; L668-L755 HydrophobicContact CG-CD2 3.9Å
669	M	86.9	Confident	90.8	Very high	53 Å²	53	48.3 Å²	48.3	26%	0.261	23%	0.228	S	C	.	.	H	α-helix	trans	-69	-32	-178.6	-65.1	-48.9	-45.4	0	0	113.9	K667 S673 L755 V758 N761	K667-M669 VanDerWaalsContact C-N 3.25Å; K667-M669 PolarHBondContact O-N 3.13Å; M669-S673 WeakPolarHBondContact O-CB 3.49Å; M669-S673 PolarHBondContact O-N 2.96Å; M669-S673 PolarHBondContact O-OG 3.09Å; M669-L755 HydrophobicContact SD-CD2 4.37Å; M669-V758 HydrophobicContact CE-CB 3.92Å; M669-V758 HydrophobicContact CE-CG1 3.39Å; M669-N761 WeakPolarHBondContact CE-ND2 3.27Å
670	E	87.3	Confident	90.9	Very high	125 Å²	125	47.5 Å²	47.5	58%	0.584	23%	0.225	S	C	*	.	H	α-helix	trans	-68.9	-47.5	173.8	-64.2	167.7	-157.3	0	0	109.9	K667 L668 A672 S673 L674	K667-E670 HydrophobicContact CB-CB 4.35Å; K667-E670 WeakPolarHBondContact CD-OE2 3.37Å; K667-E670 WeakPolarHBondContact CG-OE2 3.46Å; K667-E670 WeakPolarHBondContact O-CB 3.48Å; K667-E670 PolarHBondContact O-N 2.86Å; K667-E670 VanDerWaalsContact O-N 3.09Å; L668-E670 PolarHBondContact O-N 2.97Å; E670-A672 PolarHBondContact O-N 3.24Å; E670-S673 PolarHBondContact O-N 3.34Å; E670-L674 PolarHBondContact O-N 2.96Å
671	K	89.4	Confident	90.8	Very high	73 Å²	73	54.1 Å²	54.1	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-46.3	175.2	-70.7	-177.1	178.9	-178.3	0	111.4	L641 K667 L668 L674 A675	L641-K671 HydrophobicContact CD1-CB 4.33Å; K667-K671 PolarHBondContact O-N 3.43Å; L668-K671 PolarHBondContact O-N 3.36Å; K671-L674 PolarHBondContact O-N 3.11Å; K671-A675 VanDerWaalsContact O-CB 3.25Å; K671-A675 WeakPolarHBondContact O-CB 3.44Å; K671-A675 PolarHBondContact O-N 3.37Å
672	A	91.4	Very high	90.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-42.7	177.1	0	0	0	0	0	112	L655 L668 E670 L674 A675 R676 I685 L755	L655-A672 HydrophobicContact CD1-CB 4.12Å; L668-A672 WeakPolarHBondContact O-CB 3.44Å; L668-A672 PolarHBondContact O-N 2.6Å; E670-A672 PolarHBondContact O-N 3.24Å; A672-L674 PolarHBondContact O-N 3.18Å; A672-A675 PolarHBondContact O-N 2.91Å; A672-R676 WeakPolarHBondContact O-CG 3.3Å; A672-R676 PolarHBondContact O-N 3.5Å; A672-R676 VanDerWaalsContact O-N 3.13Å; A672-I685 HydrophobicContact CB-CD1 4.5Å; A672-L755 HydrophobicContact CB-CB 4.24Å; A672-L755 HydrophobicContact CB-CD2 3.62Å
673	S	90.7	Very high	90.9	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-46.1	176.4	-65.1	0	0	0	0	111.7	M669 E670 F677	M669-S673 WeakPolarHBondContact O-CB 3.49Å; M669-S673 PolarHBondContact O-N 2.96Å; M669-S673 PolarHBondContact O-OG 3.09Å; E670-S673 PolarHBondContact O-N 3.34Å; S673-F677 WeakPolarHBondContact O-CD2 3.33Å
674	L	91	Very high	91.1	Very high	51 Å²	51	56.1 Å²	56.1	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-46.5	177.2	-178.2	56.7	0	0	0	111.8	M640 L641 E670 K671 A672 R676 F677 L678	M640-L674 HydrophobicContact CE-CD2 4.05Å; M640-L674 HydrophobicContact CG-CD2 4.17Å; L641-L674 HydrophobicContact CB-CD2 3.7Å; L641-L674 HydrophobicContact CB-CG 4.01Å; L641-L674 HydrophobicContact CG-CD2 4.46Å; E670-L674 PolarHBondContact O-N 2.96Å; K671-L674 PolarHBondContact O-N 3.11Å; A672-L674 PolarHBondContact O-N 3.18Å; L674-R676 VanDerWaalsContact C-N 3.27Å; L674-R676 PolarHBondContact O-N 2.98Å; L674-F677 PolarHBondContact O-N 3.33Å; L674-L678 HydrophobicContact CG-CD1 4.27Å; L674-L678 WeakPolarHBondContact O-CG 3.23Å
675	A	93.1	Very high	91.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-53.5	-42	179.2	0	0	0	0	0	112.3	L641 I653 L655 K671 A672 F677 L678 L679 I685	L641-A675 HydrophobicContact CD1-CB 4.26Å; I653-A675 HydrophobicContact CB-CB 4.45Å; I653-A675 HydrophobicContact CD1-CB 3.71Å; I653-A675 WeakPolarHBondContact CD1-O 3.22Å; I653-A675 HydrophobicContact CG2-CB 4.15Å; L655-A675 HydrophobicContact CD1-CB 4.45Å; K671-A675 VanDerWaalsContact O-CB 3.25Å; K671-A675 WeakPolarHBondContact O-CB 3.44Å; K671-A675 PolarHBondContact O-N 3.37Å; A672-A675 PolarHBondContact O-N 2.91Å; A675-F677 VanDerWaalsContact C-N 3.3Å; A675-F677 PolarHBondContact O-N 2.84Å; A675-L678 WeakPolarHBondContact O-CB 3.44Å; A675-L678 PolarHBondContact O-N 3.12Å; A675-L679 PolarHBondContact O-N 3.09Å; A675-I685 HydrophobicContact CB-CD1 3.65Å; A675-I685 HydrophobicContact CB-CG1 4.21Å
676	R	93.4	Very high	91.7	Very high	68 Å²	68	54.1 Å²	54.1	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-35	178.5	-69.9	-175.3	-57.7	157	6.5	113.9	A672 L674 L678 L679 I685 L755 M756	A672-R676 WeakPolarHBondContact O-CG 3.3Å; A672-R676 PolarHBondContact O-N 3.5Å; A672-R676 VanDerWaalsContact O-N 3.13Å; L674-R676 VanDerWaalsContact C-N 3.27Å; L674-R676 PolarHBondContact O-N 2.98Å; R676-L678 PolarHBondContact O-N 2.86Å; R676-L679 PolarHBondContact O-N 2.82Å; R676-I685 HydrophobicContact CG-CD1 3.6Å; R676-L755 WeakPolarHBondContact CD-O 3.33Å; R676-M756 WeakPolarHBondContact CD-O 3.49Å; R676-M756 PolarHBondContact NH1-O 2.76Å
677	F	92.7	Very high	92.3	Very high	157 Å²	157	49.5 Å²	49.5	69%	0.689	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-9.8	176.9	-69.3	-70.8	0	0	0	113.4	S673 L674 A675	S673-F677 WeakPolarHBondContact O-CD2 3.33Å; L674-F677 PolarHBondContact O-N 3.33Å; A675-F677 VanDerWaalsContact C-N 3.3Å; A675-F677 PolarHBondContact O-N 2.84Å
678	L	94.7	Very high	92.8	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.8	-177.4	-53.7	171.7	0	0	0	112.7	L641 R643 L649 W650 I653 L674 A675 R676	L641-L678 HydrophobicContact CB-CD1 3.79Å; R643-L678 HydrophobicContact CG-CD2 3.69Å; L649-L678 WeakPolarHBondContact CB-O 3.32Å; L649-L678 WeakPolarHBondContact CD2-O 3.13Å; W650-L678 PolarHBondContact N-O 2.74Å; I653-L678 HydrophobicContact CD1-CB 4.18Å; L674-L678 HydrophobicContact CG-CD1 4.27Å; L674-L678 WeakPolarHBondContact O-CG 3.23Å; A675-L678 WeakPolarHBondContact O-CB 3.44Å; A675-L678 PolarHBondContact O-N 3.12Å; R676-L678 PolarHBondContact O-N 2.86Å
679	L	95.2	Very high	93.1	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.2	179.3	-70.5	173.7	0	0	0	112.8	W650 I653 A675 R676 I685 M756	W650-L679 HydrophobicContact CB-CD2 4.12Å; W650-L679 CarbonylContact O-C 3.58Å; W650-L679 VanDerWaalsContact O-CA 3.29Å; W650-L679 WeakPolarHBondContact O-CA 3.42Å; W650-L679 WeakPolarHBondContact O-CD2 3.38Å; I653-L679 HydrophobicContact CD1-CD2 3.96Å; I653-L679 HydrophobicContact CD1-CG 4.27Å; I653-L679 HydrophobicContact CG1-CD2 3.91Å; A675-L679 PolarHBondContact O-N 3.09Å; R676-L679 PolarHBondContact O-N 2.82Å; L679-I685 HydrophobicContact CD1-CG1 3.88Å; L679-M756 HydrophobicContact CD1-CE 4.25Å; L679-M756 HydrophobicContact CD1-SD 4.36Å
680	E	93.8	Very high	93.4	Very high	29 Å²	29	45.1 Å²	45.1	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	168.8	167.7	76.3	-178.7	164.6	0	0	111.3	R561 L576 L649 W650 S651 G682 G683	R561-E680 IonicContact CZ-OE2 3.24Å; R561-E680 IonicContact NH1-OE1 3.06Å; R561-E680 IonicContact NH1-OE2 2.68Å; R561-E680 IonicContact NH2-OE2 2.83Å; R561-E680 PolarHBondContact NH2-OE2 3.26Å; L576-E680 WeakPolarHBondContact CD2-OE1 3.48Å; L649-E680 HydrophobicContact CB-CB 3.84Å; L649-E680 HydrophobicContact CD1-CB 4.5Å; W650-E680 PolarHBondContact O-N 3.29Å; S651-E680 VanDerWaalsContact CB-OE1 3.29Å; S651-E680 WeakPolarHBondContact CB-OE1 3.35Å; S651-E680 PolarHBondContact OG-OE1 2.91Å; E680-G682 PolarHBondContact O-N 2.8Å; E680-G683 PolarHBondContact O-N 3.31Å
681	E	90.6	Very high	93.8	Very high	187 Å²	187	39.9 Å²	39.9	87%	0.874	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61	122.2	176.6	-171.2	-178.4	170	0	0	111	G683	E681-G683 VanDerWaalsContact C-N 3.26Å; E681-G683 PolarHBondContact O-N 2.69Å
682	G	91.4	Very high	94.2	Very high	34 Å²	34	36.4 Å²	36.4	35%	0.351	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.7	-1.6	-175.4	0	0	0	0	0	114.7	E680	E680-G682 PolarHBondContact O-N 2.8Å
683	G	94.7	Very high	94.4	Very high	8 Å²	8	39.9 Å²	39.9	8%	0.082	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	158.9	170.3	0	0	0	0	0	112.2	S651 E680 E681	S651-G683 WeakPolarHBondContact O-CA 3.43Å; E680-G683 PolarHBondContact O-N 3.31Å; E681-G683 VanDerWaalsContact C-N 3.26Å; E681-G683 PolarHBondContact O-N 2.69Å
684	R	96.3	Very high	94.8	Very high	41 Å²	41	38.2 Å²	38.2	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.7	-173.2	-60	-177.7	-174.7	-156.9	15.8	112.9	L550 E553 S651 A652 I653 E688	L550-R684 HydrophobicContact CD1-CG 3.83Å; L550-R684 HydrophobicContact CD2-CB 4.08Å; L550-R684 HydrophobicContact CD2-CG 4.3Å; E553-R684 IonicContact OE1-NH2 3.88Å; E553-R684 IonicContact OE2-CZ 2.74Å; E553-R684 IonicContact OE2-NH2 2.75Å; E553-R684 PolarHBondContact OE2-NH2 2.85Å; S651-R684 PolarHBondContact O-N 3.04Å; S651-R684 VanDerWaalsContact O-N 3.14Å; A652-R684 VanDerWaalsContact CA-O 3.26Å; A652-R684 WeakPolarHBondContact CA-O 3.42Å; I653-R684 PolarHBondContact N-O 3.3Å; I653-R684 VanDerWaalsContact N-O 3.09Å; R684-E688 VanDerWaalsContact CD-OE1 3.26Å; R684-E688 WeakPolarHBondContact CD-OE1 3.48Å; R684-E688 IonicContact CZ-OE1 3.24Å; R684-E688 IonicContact NE-OE1 3.54Å; R684-E688 IonicContact NH1-OE1 2.68Å; R684-E688 PolarHBondContact NH1-OE1 2.92Å
685	I	96.8	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.3	161.7	-58.6	-178.9	0	0	0	107.7	I653 L655 A672 A675 R676 L679 P687 E688 L755 M756	I653-I685 CarbonylContact O-C 3.47Å; I653-I685 VanDerWaalsContact O-CA 3.28Å; I653-I685 WeakPolarHBondContact O-CA 3.15Å; L655-I685 HydrophobicContact CD1-CG2 3.69Å; L655-I685 HydrophobicContact CG-CG2 3.89Å; A672-I685 HydrophobicContact CB-CD1 4.5Å; A675-I685 HydrophobicContact CB-CD1 3.65Å; A675-I685 HydrophobicContact CB-CG1 4.21Å; R676-I685 HydrophobicContact CG-CD1 3.6Å; L679-I685 HydrophobicContact CD1-CG1 3.88Å; I685-P687 CarbonylContact C-O 3.58Å; I685-P687 CarbonylContact O-C 3.46Å; I685-P687 VanDerWaalsContact O-C 3.24Å; I685-E688 PolarHBondContact O-N 2.91Å; I685-L755 HydrophobicContact CG2-CB 4.31Å; I685-M756 HydrophobicContact CB-SD 3.78Å; I685-M756 HydrophobicContact CD1-SD 4.24Å; I685-M756 HydrophobicContact CG1-SD 3.74Å; I685-M756 PolarHBondContact N-SD 2.89Å
686	F	97	Very high	95.3	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.7	167.8	-71.7	-70.5	0	0	0	110.1	F543 A546 L547 L550 A652 I653 I654 L655 L788	F543-F686 HydrophobicContact CE1-CB 4.03Å; A546-F686 HydrophobicContact CB-CD1 4.42Å; A546-F686 HydrophobicContact CB-CE1 3.75Å; A546-F686 HydrophobicContact CB-CZ 4.29Å; L547-F686 HydrophobicContact CD2-CD2 4.01Å; L547-F686 HydrophobicContact CD2-CE2 3.67Å; L547-F686 HydrophobicContact CD2-CZ 4.46Å; L547-F686 HydrophobicContact CG-CE2 4.44Å; L550-F686 HydrophobicContact CB-CZ 4.17Å; L550-F686 HydrophobicContact CD2-CE2 3.52Å; L550-F686 HydrophobicContact CD2-CZ 3.81Å; A652-F686 HydrophobicContact CB-CD2 4.05Å; A652-F686 HydrophobicContact CB-CE2 3.92Å; I653-F686 PolarHBondContact O-N 3.32Å; I654-F686 CarbonylContact C-O 3.55Å; I654-F686 WeakPolarHBondContact CA-O 3.37Å; I654-F686 HydrophobicContact CG1-CB 4.12Å; I654-F686 HydrophobicContact CG1-CD2 4.36Å; L655-F686 PolarHBondContact N-O 3.5Å; F686-L788 HydrophobicContact CD1-CB 4.02Å; F686-L788 WeakPolarHBondContact CD1-O 3.37Å; F686-L788 HydrophobicContact CE1-CB 4.4Å; F686-L788 WeakPolarHBondContact CE1-O 3.33Å
687	P	97	Very high	95.5	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.019	16%	0.163	C	C	.	.	S	Bend	cis	-64.3	160.7	-10.9	27.2	-34.1	0	0	0	113.7	C657 I685 I690 L755 I786 Q787 L788	C657-P687 HydrophobicContact CB-CG 4.42Å; C657-P687 WeakPolarHBondContact SG-CD 3.18Å; C657-P687 VanDerWaalsContact SG-CG 3.52Å; I685-P687 CarbonylContact C-O 3.58Å; I685-P687 CarbonylContact O-C 3.46Å; I685-P687 VanDerWaalsContact O-C 3.24Å; P687-I690 HydrophobicContact CG-CG1 4.1Å; P687-L755 HydrophobicContact CB-CD1 4.46Å; P687-L755 HydrophobicContact CG-CD1 3.69Å; P687-L755 WeakPolarHBondContact O-CD1 3.49Å; P687-I786 HydrophobicContact CB-CG2 3.54Å; P687-I786 HydrophobicContact CG-CG2 3.72Å; P687-Q787 CarbonylContact C-O 3.38Å; P687-Q787 VanDerWaalsContact CB-O 3.25Å; P687-Q787 WeakPolarHBondContact CB-O 3.47Å; P687-L788 HydrophobicContact CB-CD2 4.14Å
688	E	95.6	Very high	95.7	Very high	29 Å²	29	28.2 Å²	28.2	14%	0.136	14%	0.14	C	C	.	.	S	Bend	trans	-76.4	-39.6	169.1	-75	-176	-175.5	0	0	110.9	R684 I685 L755 M756 Q787	R684-E688 VanDerWaalsContact CD-OE1 3.26Å; R684-E688 WeakPolarHBondContact CD-OE1 3.48Å; R684-E688 IonicContact CZ-OE1 3.24Å; R684-E688 IonicContact NE-OE1 3.54Å; R684-E688 IonicContact NH1-OE1 2.68Å; R684-E688 PolarHBondContact NH1-OE1 2.92Å; I685-E688 PolarHBondContact O-N 2.91Å; E688-L755 PolarHBondContact O-N 3.02Å; E688-M756 HydrophobicContact CB-CG 4.28Å; E688-M756 HydrophobicContact CG-CG 4.13Å; E688-Q787 PolarHBondContact N-O 2.63Å
689	K	95.3	Very high	95.8	Very high	70 Å²	70	27.5 Å²	27.5	30%	0.304	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.5	-178.4	-53.1	-176.1	-175.6	179.9	0	112.2	V752 L753 D754 Q787	K689-V752 HydrophobicContact CB-CG1 4.47Å; K689-V752 HydrophobicContact CD-CG1 4.44Å; K689-L753 CarbonylContact C-O 3.55Å; K689-L753 VanDerWaalsContact CA-O 3.24Å; K689-L753 WeakPolarHBondContact CA-O 3.38Å; K689-D754 VanDerWaalsContact CE-OD2 3.24Å; K689-D754 WeakPolarHBondContact CE-OD2 3.28Å; K689-D754 HydrophobicContact CG-CB 4.39Å; K689-D754 IonicContact NZ-OD2 3.68Å; K689-Q787 HydrophobicContact CB-CB 4.18Å; K689-Q787 PolarHBondContact N-O 3.25Å; K689-Q787 WeakPolarHBondContact O-CB 3.44Å; K689-Q787 PolarHBondContact O-N 3.31Å
690	I	95.1	Very high	95.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	171.2	-51.7	163.8	0	0	0	107.3	C657 L668 P687 V752 L753 L755 Y784	C657-I690 HydrophobicContact CB-CD1 3.43Å; C657-I690 VanDerWaalsContact CB-CD1 3.43Å; C657-I690 HydrophobicContact CB-CG1 4.37Å; L668-I690 HydrophobicContact CD2-CD1 3.79Å; P687-I690 HydrophobicContact CG-CG1 4.1Å; I690-V752 CarbonylContact O-C 3.57Å; I690-V752 WeakPolarHBondContact O-CA 3.32Å; I690-L753 HydrophobicContact CB-CB 4.36Å; I690-L753 PolarHBondContact N-O 2.9Å; I690-L753 PolarHBondContact O-N 3.11Å; I690-L755 HydrophobicContact CD1-CD1 4.16Å; I690-L755 HydrophobicContact CG1-CD1 4.29Å; I690-Y784 HydrophobicContact CG2-CD1 3.66Å; I690-Y784 HydrophobicContact CG2-CG 4.2Å
691	V	95.4	Very high	95.4	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.085	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.3	175.8	-173.6	0	0	0	0	108.2	Y693 E749 V752 Y784 Q785	V691-Y693 HydrophobicContact CB-CD2 4.48Å; V691-Y693 HydrophobicContact CB-CE2 3.95Å; V691-Y693 HydrophobicContact CG1-CD2 4Å; V691-Y693 HydrophobicContact CG1-CE2 3.43Å; V691-Y693 VanDerWaalsContact CG1-CE2 3.43Å; V691-E749 HydrophobicContact CG1-CG 3.69Å; V691-V752 HydrophobicContact CG1-CG2 4.2Å; V691-V752 HydrophobicContact CG2-CG1 4.41Å; V691-V752 HydrophobicContact CG2-CG2 4.24Å; V691-Y784 CarbonylContact O-C 3.49Å; V691-Y784 WeakPolarHBondContact O-CA 3.38Å; V691-Q785 HydrophobicContact CB-CB 4.22Å; V691-Q785 PolarHBondContact N-O 2.75Å; V691-Q785 PolarHBondContact O-N 2.81Å
692	V	96.1	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123	177.5	-169.6	0	0	0	0	108.8	L750 F751 F782 Y784 I833	V692-L750 HydrophobicContact CB-CB 4.43Å; V692-L750 HydrophobicContact CG1-CB 4.39Å; V692-L750 HydrophobicContact CG1-CD1 4.25Å; V692-L750 PolarHBondContact O-N 2.77Å; V692-F751 HydrophobicContact CB-CD1 3.85Å; V692-F751 HydrophobicContact CB-CE1 3.71Å; V692-F751 HydrophobicContact CB-CE2 4.47Å; V692-F751 HydrophobicContact CB-CG 4.32Å; V692-F751 HydrophobicContact CB-CZ 4.05Å; V692-F751 HydrophobicContact CG1-CD1 4.32Å; V692-F751 HydrophobicContact CG1-CE1 3.85Å; V692-F751 HydrophobicContact CG1-CZ 4.36Å; V692-F751 HydrophobicContact CG2-CD1 3.94Å; V692-F751 HydrophobicContact CG2-CD2 3.95Å; V692-F751 HydrophobicContact CG2-CE1 3.53Å; V692-F751 HydrophobicContact CG2-CE2 3.52Å; V692-F751 HydrophobicContact CG2-CG 4.16Å; V692-F751 HydrophobicContact CG2-CZ 3.31Å; V692-F751 PolarHBondContact N-O 2.88Å; V692-F782 HydrophobicContact CG1-CB 4.29Å; V692-F782 HydrophobicContact CG1-CD2 4.37Å; V692-Y784 HydrophobicContact CB-CD1 4.46Å; V692-Y784 HydrophobicContact CG1-CD1 4.41Å; V692-Y784 HydrophobicContact CG1-CE1 4.23Å; V692-Y784 HydrophobicContact CG2-CD1 3.76Å; V692-Y784 HydrophobicContact CG2-CE1 3.8Å; V692-I833 HydrophobicContact CG1-CD1 4.2Å
693	Y	97.7	Very high	95.4	Very high	74 Å²	74	20 Å²	20	29%	0.29	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153	174	-76.7	-90.4	0	0	0	110.4	V691 L748 E749 F782 W783 Q785	V691-Y693 HydrophobicContact CB-CD2 4.48Å; V691-Y693 HydrophobicContact CB-CE2 3.95Å; V691-Y693 HydrophobicContact CG1-CD2 4Å; V691-Y693 HydrophobicContact CG1-CE2 3.43Å; V691-Y693 VanDerWaalsContact CG1-CE2 3.43Å; Y693-L748 CarbonylContact C-O 3.57Å; Y693-L748 VanDerWaalsContact CA-O 3.23Å; Y693-L748 WeakPolarHBondContact CA-O 3.44Å; Y693-L748 WeakPolarHBondContact CD1-O 3.39Å; Y693-E749 HydrophobicContact CE1-CB 4.38Å; Y693-F782 CarbonylContact O-C 3.57Å; Y693-F782 WeakPolarHBondContact O-CA 3.2Å; Y693-F782 WeakPolarHBondContact O-CB 3.41Å; Y693-W783 PolarHBondContact N-O 3.46Å; Y693-W783 PolarHBondContact O-N 2.81Å; Y693-Q785 HydrophobicContact CD2-CB 4.22Å; Y693-Q785 HydrophobicContact CE2-CB 3.87Å
694	G	97.3	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	175.2	169.6	0	0	0	0	0	112.6	A747 L748 P781	G694-A747 WeakPolarHBondContact O-CA 3.16Å; G694-L748 PolarHBondContact N-O 2.95Å; G694-L748 WeakPolarHBondContact O-CD2 3.35Å; G694-L748 PolarHBondContact O-N 3.27Å; G694-P781 WeakPolarHBondContact CA-O 3.24Å
695	M	97.1	Very high	94.8	Very high	20 Å²	20	22.7 Å²	22.7	10%	0.099	11%	0.11	C	C	.	.			trans	-150.2	145.9	-177.6	-180	178.8	-75.5	0	0	110.4	V697 F736 H743 S745 A747 V780 P781 W783	M695-V697 HydrophobicContact CG-CG1 4.27Å; M695-V697 HydrophobicContact SD-CG1 4.47Å; M695-F736 HydrophobicContact SD-CZ 4.38Å; M695-H743 HydrophobicContact SD-CB 3.68Å; M695-H743 PolarHBondContact SD-ND1 3.1Å; M695-S745 WeakPolarHBondContact CE-O 3.33Å; M695-S745 WeakPolarHBondContact CG-O 3.13Å; M695-A747 HydrophobicContact CE-CB 4.08Å; M695-V780 WeakPolarHBondContact O-CA 3.36Å; M695-P781 PolarHBondContact N-O 2.78Å; M695-P781 WeakPolarHBondContact O-CD 3.45Å; M695-W783 HydrophobicContact CB-CH2 4.2Å; M695-W783 HydrophobicContact CB-CZ3 4.28Å
696	L	98	Very high	94.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.			trans	-77	129.3	170.4	-56.3	-172.9	0	0	0	110	L744 S745 V769 V777 V780 I822 L824	L696-L744 HydrophobicContact CB-CB 4.02Å; L696-L744 PolarHBondContact O-N 2.96Å; L696-S745 PolarHBondContact N-OG 3.22Å; L696-V769 HydrophobicContact CD1-CG1 3.73Å; L696-V769 HydrophobicContact CD1-CG2 4.37Å; L696-V769 HydrophobicContact CD2-CG1 4.06Å; L696-V769 HydrophobicContact CG-CG1 3.92Å; L696-V769 HydrophobicContact CG-CG2 4.38Å; L696-V777 HydrophobicContact CB-CG1 4.18Å; L696-V777 HydrophobicContact CB-CG2 4.4Å; L696-V777 HydrophobicContact CD1-CG2 4.18Å; L696-V777 HydrophobicContact CD2-CG1 4.03Å; L696-V780 HydrophobicContact CD2-CG2 3.89Å; L696-I822 HydrophobicContact CD1-CB 4.13Å; L696-I822 HydrophobicContact CD1-CD1 3.75Å; L696-I822 HydrophobicContact CD1-CG1 4Å; L696-I822 HydrophobicContact CD1-CG2 4.44Å; L696-L824 HydrophobicContact CD2-CD1 4.2Å; L696-L824 HydrophobicContact CD2-CD2 4.04Å
697	V	97.8	Very high	94.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.8	176.3	-52.3	0	0	0	0	112.7	M695 F736 C741 R742 T778 A779 P781	M695-V697 HydrophobicContact CG-CG1 4.27Å; M695-V697 HydrophobicContact SD-CG1 4.47Å; V697-F736 HydrophobicContact CG1-CE2 4.19Å; V697-F736 HydrophobicContact CG1-CZ 4.13Å; V697-C741 HydrophobicContact CB-CB 4.19Å; V697-C741 HydrophobicContact CG2-CB 4.43Å; V697-R742 WeakPolarHBondContact CA-O 3.32Å; V697-T778 PolarHBondContact O-N 2.81Å; V697-A779 HydrophobicContact CG2-CB 3.98Å; V697-A779 PolarHBondContact N-O 2.92Å; V697-A779 PolarHBondContact O-N 3.5Å; V697-P781 HydrophobicContact CB-CG 4.44Å; V697-P781 HydrophobicContact CG1-CG 3.9Å; V697-P781 VanDerWaalsContact CG2-CD 3.45Å; V697-P781 HydrophobicContact CG2-CG 3.66Å
698	E	97.7	Very high	94.2	Very high	45 Å²	45	23 Å²	23	21%	0.21	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.4	163	-177.1	167.4	175.3	0	0	108.7	C741 R742 L744 G775 R776 T778	E698-C741 CarbonylContact O-C 3.6Å; E698-C741 WeakPolarHBondContact O-CA 3.18Å; E698-C741 WeakPolarHBondContact O-CB 3.48Å; E698-R742 HydrophobicContact CB-CB 4.33Å; E698-R742 PolarHBondContact N-O 2.72Å; E698-R742 PolarHBondContact O-N 2.71Å; E698-R742 IonicContact OE2-CZ 3.33Å; E698-R742 IonicContact OE2-NE 2.75Å; E698-R742 IonicContact OE2-NH2 2.95Å; E698-R742 PolarHBondContact OE2-NH2 3.08Å; E698-L744 HydrophobicContact CB-CD1 4.03Å; E698-L744 HydrophobicContact CB-CD2 4.47Å; E698-L744 HydrophobicContact CB-CG 4.31Å; E698-G775 VanDerWaalsContact OE2-CA 3.28Å; E698-G775 WeakPolarHBondContact OE2-CA 3.47Å; E698-R776 WeakPolarHBondContact CA-O 3.23Å; E698-R776 WeakPolarHBondContact CB-O 3.4Å; E698-R776 HydrophobicContact CG-CB 4.31Å; E698-R776 VanDerWaalsContact CG-O 3.22Å; E698-R776 WeakPolarHBondContact CG-O 3.35Å; E698-R776 PolarHBondContact OE2-N 3.44Å; E698-T778 HydrophobicContact CG-CG2 4.42Å
699	S	95.3	Very high	94	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	13%	0.125	C	C	.	.			trans	-143.2	114.8	177.9	-174.1	0	0	0	0	109.5	L702 E740 T778	S699-L702 PolarHBondContact OG-N 3.49Å; S699-E740 PolarHBondContact OG-O 3Å; S699-T778 PolarHBondContact N-OG1 2.79Å; S699-T778 PolarHBondContact O-OG1 3.15Å
700	D	91.6	Very high	93.9	Very high	82 Å²	82	24.1 Å²	24.1	44%	0.439	13%	0.129	S	C	.	.	H	α-helix	trans	-73.3	-33.1	173.1	-71.9	-18.5	0	0	0	110.9	L702 L703 L704 R776	D700-L702 PolarHBondContact O-N 3.03Å; D700-L703 WeakPolarHBondContact O-CB 3.38Å; D700-L703 PolarHBondContact O-N 3.07Å; D700-L704 VanDerWaalsContact O-CG 3.27Å; D700-L704 WeakPolarHBondContact O-CG 3.42Å; D700-L704 PolarHBondContact O-N 2.89Å; D700-R776 IonicContact OD1-CZ 2.74Å; D700-R776 IonicContact OD1-NH2 3.3Å; D700-R776 PolarHBondContact OD1-NH2 3.33Å; D700-R776 IonicContact OD2-NH2 2.96Å
701	T	90.1	Very high	94	Very high	17 Å²	17	30.7 Å²	30.7	10%	0.104	15%	0.154	C	C	.	.	H	α-helix	trans	-51	-52.6	173.4	-60.1	0	0	0	0	111.8	R363 L703 L704 E705 L739	R363-T701 VanDerWaalsContact NH1-CG2 3.3Å; T701-L703 VanDerWaalsContact C-N 3.29Å; T701-L703 PolarHBondContact O-N 2.92Å; T701-L704 PolarHBondContact O-N 2.96Å; T701-E705 VanDerWaalsContact CG2-OE1 3.27Å; T701-E705 WeakPolarHBondContact CG2-OE1 3.41Å; T701-E705 WeakPolarHBondContact O-CG 3.5Å; T701-E705 PolarHBondContact O-N 3.08Å; T701-L739 HydrophobicContact CG2-CD1 4.23Å
702	L	91.9	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-36.5	178.7	-71.8	178.6	0	0	0	112.4	S699 D700 S706 H731 L734 L739 A779 A807 V809	S699-L702 PolarHBondContact OG-N 3.49Å; D700-L702 PolarHBondContact O-N 3.03Å; L702-S706 VanDerWaalsContact O-CB 3.29Å; L702-S706 WeakPolarHBondContact O-CB 3.16Å; L702-S706 PolarHBondContact O-N 2.81Å; L702-S706 PolarHBondContact O-OG 2.8Å; L702-H731 HydrophobicContact CD2-CB 4.45Å; L702-L734 HydrophobicContact CD2-CD1 4.02Å; L702-L734 HydrophobicContact CD2-CD2 3.85Å; L702-L739 HydrophobicContact CD1-CD2 3.77Å; L702-L739 HydrophobicContact CD2-CD1 4.22Å; L702-L739 HydrophobicContact CD2-CD2 4.42Å; L702-L739 HydrophobicContact CG-CD1 4.12Å; L702-L739 HydrophobicContact CG-CD2 4.07Å; L702-A779 HydrophobicContact CD1-CB 3.61Å; L702-A807 HydrophobicContact CD1-CB 3.97Å; L702-V809 HydrophobicContact CB-CG2 4.18Å
703	L	90.6	Very high	93.9	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-42.7	176.4	-69.3	178	0	0	0	112	D700 T701 E705 S706 A707 Q709 T778 V809 P813	D700-L703 WeakPolarHBondContact O-CB 3.38Å; D700-L703 PolarHBondContact O-N 3.07Å; T701-L703 VanDerWaalsContact C-N 3.29Å; T701-L703 PolarHBondContact O-N 2.92Å; L703-E705 VanDerWaalsContact C-N 3.33Å; L703-S706 PolarHBondContact O-N 2.76Å; L703-A707 PolarHBondContact O-N 3.13Å; L703-A707 VanDerWaalsContact O-O 3.13Å; L703-Q709 PolarHBondContact O-NE2 2.99Å; L703-T778 HydrophobicContact CD1-CG2 3.55Å; L703-T778 HydrophobicContact CD2-CG2 4.49Å; L703-T778 HydrophobicContact CG-CG2 4.03Å; L703-V809 HydrophobicContact CD2-CG1 3.91Å; L703-P813 HydrophobicContact CD1-CG 4.12Å; L703-P813 HydrophobicContact CD2-CG 4.13Å
704	L	90.2	Very high	93.9	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.346	17%	0.168	S	C	.	.	H	α-helix	trans	-69.7	-31.8	-179.5	-63.6	168.2	0	0	0	112	F157 N161 D700 T701 Q709	F157-L704 CarbonylContact C-O 3.51Å; N161-L704 HydrophobicContact CB-CB 4.39Å; N161-L704 HydrophobicContact CB-CD2 3.82Å; N161-L704 WeakPolarHBondContact ND2-CA 3.38Å; N161-L704 PolarHBondContact ND2-O 2.94Å; D700-L704 VanDerWaalsContact O-CG 3.27Å; D700-L704 WeakPolarHBondContact O-CG 3.42Å; D700-L704 PolarHBondContact O-N 2.89Å; T701-L704 PolarHBondContact O-N 2.96Å; L704-Q709 HydrophobicContact CD2-CB 4.36Å; L704-Q709 HydrophobicContact CD2-CG 3.63Å
705	E	88.3	Confident	93.9	Very high	38 Å²	38	34.2 Å²	34.2	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-74	-30.3	172.6	-72.1	174.8	-170.1	0	0	112.3	L158 T701 L703 H731	L158-E705 HydrophobicContact CD1-CG 3.98Å; L158-E705 HydrophobicContact CD2-CB 4.37Å; L158-E705 HydrophobicContact CD2-CG 3.42Å; L158-E705 VanDerWaalsContact CD2-CG 3.42Å; L158-E705 HydrophobicContact CG-CG 3.78Å; T701-E705 VanDerWaalsContact CG2-OE1 3.27Å; T701-E705 WeakPolarHBondContact CG2-OE1 3.41Å; T701-E705 WeakPolarHBondContact O-CG 3.5Å; T701-E705 PolarHBondContact O-N 3.08Å; L703-E705 VanDerWaalsContact C-N 3.33Å; E705-H731 PolarHBondContact O-CE1 3.34Å
706	S	88.9	Confident	93.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-81.8	-39.6	-176	-59.3	0	0	0	0	113.7	L702 L703 T727 H731 V809	L702-S706 VanDerWaalsContact O-CB 3.29Å; L702-S706 WeakPolarHBondContact O-CB 3.16Å; L702-S706 PolarHBondContact O-N 2.81Å; L702-S706 PolarHBondContact O-OG 2.8Å; L703-S706 PolarHBondContact O-N 2.76Å; S706-T727 WeakPolarHBondContact O-CG2 3.35Å; S706-H731 VanDerWaalsContact CA-NE2 3.31Å; S706-H731 WeakPolarHBondContact CA-NE2 3.24Å; S706-H731 WeakPolarHBondContact CB-NE2 3.41Å; S706-H731 PolarHBondContact OG-CD2 2.8Å; S706-H731 VanDerWaalsContact OG-CD2 3.29Å; S706-H731 PolarHBondContact OG-CE1 2.8Å; S706-H731 PolarHBondContact OG-NE2 3.49Å; S706-V809 WeakPolarHBondContact OG-CG1 3.43Å; S706-V809 WeakPolarHBondContact OG-CG2 3.48Å
707	A	92.6	Very high	93.9	Very high	6 Å²	6	35.8 Å²	35.8	5%	0.05	19%	0.192	C	C	.	.	S	Bend	trans	-154.6	149.6	-166.8	0	0	0	0	0	111.9	N161 L703 Q709 T727	N161-A707 PolarHBondContact ND2-O 3.41Å; L703-A707 PolarHBondContact O-N 3.13Å; L703-A707 VanDerWaalsContact O-O 3.13Å; A707-Q709 PolarHBondContact O-N 2.89Å; A707-Q709 PolarHBondContact O-NE2 3.06Å; A707-T727 HydrophobicContact CB-CG2 3.85Å
708	V	94.9	Very high	93.9	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.199	C	C	.	.			trans	-73.9	124.7	171	-177.7	0	0	0	0	109.9	F157 L160 N161 G710 T714 A720 I723 N724	F157-V708 HydrophobicContact CD1-CG2 4.03Å; L160-V708 HydrophobicContact CB-CG1 4.21Å; L160-V708 HydrophobicContact CB-CG2 3.67Å; L160-V708 HydrophobicContact CD1-CG2 3.7Å; L160-V708 HydrophobicContact CG-CG2 4.36Å; N161-V708 WeakPolarHBondContact OD1-CA 3.47Å; V708-G710 PolarHBondContact O-N 2.81Å; V708-G710 VanDerWaalsContact O-N 3.08Å; V708-T714 HydrophobicContact CG1-CG2 3.75Å; V708-A720 HydrophobicContact CB-CB 3.88Å; V708-A720 HydrophobicContact CG1-CB 3.9Å; V708-I723 HydrophobicContact CB-CG2 4.25Å; V708-I723 HydrophobicContact CG2-CG2 3.53Å; V708-N724 PolarHBondContact N-OD1 2.87Å; V708-N724 PolarHBondContact O-ND2 2.87Å
709	Q	92.9	Very high	93.9	Very high	84 Å²	84	34.9 Å²	34.9	39%	0.393	19%	0.189	S	C	.	.			trans	-88.3	72.3	-171.5	-58.7	-58.1	-45.1	0	0	111.6	N161 L703 L704 A707 P713	N161-Q709 PolarHBondContact OD1-N 2.95Å; L703-Q709 PolarHBondContact O-NE2 2.99Å; L704-Q709 HydrophobicContact CD2-CB 4.36Å; L704-Q709 HydrophobicContact CD2-CG 3.63Å; A707-Q709 PolarHBondContact O-N 2.89Å; A707-Q709 PolarHBondContact O-NE2 3.06Å; Q709-P713 WeakPolarHBondContact O-CD 3.49Å
710	G	92.7	Very high	94	Very high	38 Å²	38	35.2 Å²	35.2	39%	0.392	19%	0.191	S	C	.	.	S	Bend	trans	80.5	-147.9	174.8	0	0	0	0	0	114.1	V708	V708-G710 PolarHBondContact O-N 2.81Å; V708-G710 VanDerWaalsContact O-N 3.08Å
711	R	96.1	Very high	94.2	Very high	140 Å²	140	34.6 Å²	34.6	53%	0.528	19%	0.192	S	C	.	.	S	Bend	trans	-108.6	-15.8	-174.5	-64.9	-173.8	-178.7	173.5	1.3	114.5	T714 L715 G716 N718	R711-T714 WeakPolarHBondContact CA-OG1 3.4Å; R711-T714 CarbonylContact O-C 3.59Å; R711-T714 PolarHBondContact O-N 2.93Å; R711-T714 PolarHBondContact O-OG1 3.4Å; R711-T714 VanDerWaalsContact O-OG1 3.1Å; R711-L715 PolarHBondContact O-N 3.11Å; R711-G716 VanDerWaalsContact O-CA 3.23Å; R711-G716 WeakPolarHBondContact O-CA 3.49Å; R711-G716 PolarHBondContact O-N 2.95Å; R711-N718 PolarHBondContact NE-OD1 3.3Å; R711-N718 VanDerWaalsContact NE-OD1 3.1Å; R711-N718 PolarHBondContact NH2-OD1 2.88Å
712	E	95.7	Very high	94.4	Very high	136 Å²	136	35.5 Å²	35.5	64%	0.636	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-49.6	-177.3	-170	-99	166.5	0	0	112.2	H163 T714 L715	H163-E712 IonicContact CD2-OE1 2.67Å; H163-E712 IonicContact NE2-OE1 3.39Å; E712-T714 PolarHBondContact O-N 2.98Å; E712-L715 PolarHBondContact O-N 2.84Å; E712-L715 VanDerWaalsContact O-N 3.13Å
713	P	94.9	Very high	94.6	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.045	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.5	179.2	26.4	-35.6	0	0	0	113	L160 H163 N166 Q709 L715	L160-P713 CarbonylContact O-C 3.56Å; L160-P713 WeakPolarHBondContact O-CB 3.32Å; H163-P713 HydrophobicContact CB-CB 4.26Å; H163-P713 PolarHBondContact ND1-O 2.93Å; N166-P713 PolarHBondContact ND2-O 2.84Å; Q709-P713 WeakPolarHBondContact O-CD 3.49Å; P713-L715 VanDerWaalsContact C-N 3.29Å; P713-L715 PolarHBondContact O-N 3.03Å
714	T	97.4	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	25.6	176.7	61.1	0	0	0	0	113.5	L160 V708 R711 E712 G716 F717 I719	L160-T714 HydrophobicContact CB-CG2 4.23Å; L160-T714 HydrophobicContact CD2-CG2 4.22Å; V708-T714 HydrophobicContact CG1-CG2 3.75Å; R711-T714 WeakPolarHBondContact CA-OG1 3.4Å; R711-T714 CarbonylContact O-C 3.59Å; R711-T714 PolarHBondContact O-N 2.93Å; R711-T714 PolarHBondContact O-OG1 3.4Å; R711-T714 VanDerWaalsContact O-OG1 3.1Å; E712-T714 PolarHBondContact O-N 2.98Å; T714-G716 PolarHBondContact O-N 3.3Å; T714-G716 VanDerWaalsContact O-N 3.12Å; T714-F717 WeakPolarHBondContact O-CB 3.44Å; T714-F717 WeakPolarHBondContact O-CD2 3.16Å; T714-F717 PolarHBondContact O-N 3.41Å; T714-F717 PolarHBondContact OG1-O 2.97Å; T714-I719 HydrophobicContact CG2-CB 4.23Å; T714-I719 HydrophobicContact CG2-CD1 4.08Å; T714-I719 HydrophobicContact CG2-CG1 4.41Å
715	L	97.5	Very high	94.6	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.099	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	25.4	171.8	-47.3	171.2	0	0	0	114.4	N166 R167 Q170 C197 R711 E712 P713 F717	N166-L715 HydrophobicContact CB-CD1 4.03Å; N166-L715 HydrophobicContact CB-CD2 4.04Å; N166-L715 HydrophobicContact CB-CG 3.98Å; R167-L715 HydrophobicContact CB-CD2 4.43Å; Q170-L715 HydrophobicContact CB-CD1 3.82Å; Q170-L715 HydrophobicContact CG-CD1 4.33Å; C197-L715 VanDerWaalsContact SG-CD1 3.57Å; R711-L715 PolarHBondContact O-N 3.11Å; E712-L715 PolarHBondContact O-N 2.84Å; E712-L715 VanDerWaalsContact O-N 3.13Å; P713-L715 VanDerWaalsContact C-N 3.29Å; P713-L715 PolarHBondContact O-N 3.03Å; L715-F717 HydrophobicContact CB-CD2 4.21Å; L715-F717 HydrophobicContact CB-CE2 4.26Å
716	G	97.1	Very high	94.7	Very high	45 Å²	45	37.4 Å²	37.4	46%	0.464	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-4	-176.6	0	0	0	0	0	114.7	R711 T714	R711-G716 VanDerWaalsContact O-CA 3.23Å; R711-G716 WeakPolarHBondContact O-CA 3.49Å; R711-G716 PolarHBondContact O-N 2.95Å; T714-G716 PolarHBondContact O-N 3.3Å; T714-G716 VanDerWaalsContact O-N 3.12Å
717	F	98.2	Very high	94.7	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.031	21%	0.205	C	C	.	.			trans	-73.9	139.7	178.7	-62.6	-61.6	0	0	0	111.7	I193 M196 K200 N226 M228 T714 L715 I719	I193-F717 HydrophobicContact CG1-CD2 4.08Å; I193-F717 HydrophobicContact CG1-CE2 4.47Å; M196-F717 HydrophobicContact CB-CD1 4.21Å; M196-F717 HydrophobicContact CB-CE1 3.73Å; M196-F717 HydrophobicContact CB-CE2 4.09Å; M196-F717 HydrophobicContact CB-CZ 3.66Å; M196-F717 HydrophobicContact CE-CB 3.95Å; M196-F717 HydrophobicContact CE-CD1 4.15Å; M196-F717 HydrophobicContact CE-CD2 4.28Å; M196-F717 HydrophobicContact CE-CG 3.89Å; M196-F717 HydrophobicContact SD-CD1 3.89Å; M196-F717 HydrophobicContact SD-CE1 4.28Å; M196-F717 HydrophobicContact SD-CG 4.26Å; K200-F717 HydrophobicContact CB-CZ 4.49Å; K200-F717 HydrophobicContact CD-CE1 4.17Å; K200-F717 HydrophobicContact CD-CZ 3.91Å; N226-F717 WeakPolarHBondContact OD1-CA 3.26Å; M228-F717 HydrophobicContact CE-CE1 3.98Å; T714-F717 WeakPolarHBondContact O-CB 3.44Å; T714-F717 WeakPolarHBondContact O-CD2 3.16Å; T714-F717 PolarHBondContact O-N 3.41Å; T714-F717 PolarHBondContact OG1-O 2.97Å; L715-F717 HydrophobicContact CB-CD2 4.21Å; L715-F717 HydrophobicContact CB-CE2 4.26Å; F717-I719 HydrophobicContact CB-CD1 4.02Å; F717-I719 HydrophobicContact CB-CG1 3.85Å; F717-I719 PolarHBondContact O-N 3.28Å
718	N	97.9	Very high	94.2	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	-79.7	78.7	178.4	-167.8	42.1	0	0	0	110.9	N226 R711 P721 F722	N226-N718 PolarHBondContact ND2-N 2.89Å; N226-N718 PolarHBondContact ND2-O 3.36Å; N226-N718 PolarHBondContact OD1-N 2.84Å; R711-N718 PolarHBondContact NE-OD1 3.3Å; R711-N718 VanDerWaalsContact NE-OD1 3.1Å; R711-N718 PolarHBondContact NH2-OD1 2.88Å; N718-P721 WeakPolarHBondContact OD1-CG 3.45Å; N718-F722 WeakPolarHBondContact O-CE2 3.24Å
719	I	98.1	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.			trans	-107.2	-44.4	-177.2	-52	-174.8	0	0	0	111.5	L160 T191 I193 M196 V222 T714 F717 P721 F722 I723	L160-I719 HydrophobicContact CD1-CG2 4.07Å; L160-I719 HydrophobicContact CD2-CD1 4.08Å; L160-I719 HydrophobicContact CD2-CG2 4.35Å; T191-I719 HydrophobicContact CG2-CG2 3.9Å; I193-I719 HydrophobicContact CB-CD1 3.91Å; I193-I719 HydrophobicContact CD1-CD1 3.97Å; I193-I719 HydrophobicContact CG1-CD1 4.01Å; M196-I719 HydrophobicContact CE-CD1 4.05Å; M196-I719 HydrophobicContact CE-CG1 4.28Å; V222-I719 HydrophobicContact CG1-CB 4.45Å; V222-I719 HydrophobicContact CG1-CG1 3.83Å; V222-I719 HydrophobicContact CG2-CG2 4.32Å; T714-I719 HydrophobicContact CG2-CB 4.23Å; T714-I719 HydrophobicContact CG2-CD1 4.08Å; T714-I719 HydrophobicContact CG2-CG1 4.41Å; F717-I719 HydrophobicContact CB-CD1 4.02Å; F717-I719 HydrophobicContact CB-CG1 3.85Å; F717-I719 PolarHBondContact O-N 3.28Å; I719-P721 VanDerWaalsContact C-CD 3.44Å; I719-P721 VanDerWaalsContact O-N 3.17Å; I719-F722 PolarHBondContact O-N 3.24Å; I719-I723 HydrophobicContact CG2-CG2 4.32Å; I719-I723 PolarHBondContact O-N 3.48Å
720	A	96.5	Very high	93.2	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-48.7	-44.7	-173.9	0	0	0	0	0	114.9	V708 F722 N724	V708-A720 HydrophobicContact CB-CB 3.88Å; V708-A720 HydrophobicContact CG1-CB 3.9Å; A720-F722 PolarHBondContact O-N 3.23Å; A720-F722 VanDerWaalsContact O-N 3.08Å; A720-N724 WeakPolarHBondContact O-CB 3.05Å; A720-N724 PolarHBondContact O-N 2.93Å; A720-N724 PolarHBondContact O-ND2 2.96Å; A720-N724 PolarHBondContact O-OD1 3.22Å
721	P	95.5	Very high	93.1	Very high	70 Å²	70	35.4 Å²	35.4	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-62.9	-18.9	-179.1	-23.6	35.8	0	0	0	115.3	N718 I719 Q725	N718-P721 WeakPolarHBondContact OD1-CG 3.45Å; I719-P721 VanDerWaalsContact C-CD 3.44Å; I719-P721 VanDerWaalsContact O-N 3.17Å; P721-Q725 PolarHBondContact O-NE2 2.95Å; P721-Q725 VanDerWaalsContact O-NE2 3.12Å
722	F	95	Very high	92.9	Very high	36 Å²	36	30.8 Å²	30.8	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-91.9	-56.2	-179.4	-59	-84.8	0	0	0	110.1	L218 E221 V222 A225 N718 I719 A720 N724 Q725	L218-F722 HydrophobicContact CG-CB 4.37Å; E221-F722 HydrophobicContact CB-CD1 3.8Å; E221-F722 HydrophobicContact CB-CE1 3.96Å; E221-F722 WeakPolarHBondContact OE2-CD1 3.47Å; V222-F722 HydrophobicContact CG2-CB 3.71Å; V222-F722 HydrophobicContact CG2-CD2 3.74Å; V222-F722 HydrophobicContact CG2-CG 3.78Å; A225-F722 HydrophobicContact CB-CE1 4.3Å; A225-F722 HydrophobicContact CB-CE2 3.47Å; A225-F722 VanDerWaalsContact CB-CE2 3.47Å; A225-F722 HydrophobicContact CB-CZ 3.25Å; N718-F722 WeakPolarHBondContact O-CE2 3.24Å; I719-F722 PolarHBondContact O-N 3.24Å; A720-F722 PolarHBondContact O-N 3.23Å; A720-F722 VanDerWaalsContact O-N 3.08Å; F722-N724 PolarHBondContact O-N 3.37Å; F722-Q725 WeakPolarHBondContact O-CB 3.44Å; F722-Q725 WeakPolarHBondContact O-CG 3.32Å; F722-Q725 PolarHBondContact O-N 3.16Å
723	I	94.9	Very high	92.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.5	-30.6	-177.7	-160.2	170.7	0	0	0	113.2	V152 H156 F157 L160 T191 L218 V708 I719 Q725 F726	V152-I723 HydrophobicContact CG1-CD1 4.17Å; V152-I723 HydrophobicContact CG1-CG1 4.2Å; H156-I723 HydrophobicContact CB-CD1 3.81Å; F157-I723 HydrophobicContact CE1-CG1 3.99Å; F157-I723 HydrophobicContact CE1-CG2 4.24Å; F157-I723 HydrophobicContact CZ-CG1 4.02Å; L160-I723 HydrophobicContact CD1-CD1 3.54Å; L160-I723 HydrophobicContact CD1-CG2 4.11Å; T191-I723 HydrophobicContact CG2-CD1 4Å; L218-I723 HydrophobicContact CD1-CB 4.01Å; L218-I723 HydrophobicContact CD1-CG1 4.05Å; V708-I723 HydrophobicContact CB-CG2 4.25Å; V708-I723 HydrophobicContact CG2-CG2 3.53Å; I719-I723 HydrophobicContact CG2-CG2 4.32Å; I719-I723 PolarHBondContact O-N 3.48Å; I723-Q725 PolarHBondContact O-N 3.4Å; I723-Q725 VanDerWaalsContact O-N 3.1Å; I723-F726 PolarHBondContact O-N 3.18Å
724	N	93.3	Very high	92.4	Very high	42 Å²	42	31 Å²	31	23%	0.225	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-70	-6	177.4	-64.4	-3	0	0	0	112.9	V708 A720 F722 F726 T727	V708-N724 PolarHBondContact N-OD1 2.87Å; V708-N724 PolarHBondContact O-ND2 2.87Å; A720-N724 WeakPolarHBondContact O-CB 3.05Å; A720-N724 PolarHBondContact O-N 2.93Å; A720-N724 PolarHBondContact O-ND2 2.96Å; A720-N724 PolarHBondContact O-OD1 3.22Å; F722-N724 PolarHBondContact O-N 3.37Å; N724-F726 PolarHBondContact O-N 2.61Å; N724-T727 HydrophobicContact CB-CG2 3.88Å; N724-T727 WeakPolarHBondContact O-CG2 3.42Å; N724-T727 PolarHBondContact O-N 2.92Å; N724-T727 PolarHBondContact O-OG1 2.91Å
725	Q	88.6	Confident	92.1	Very high	84 Å²	84	32.9 Å²	32.9	39%	0.393	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-66.2	-21.8	167.4	-63.3	178.2	43.8	0	0	111.6	F144 P721 F722 I723	F144-Q725 VanDerWaalsContact CE1-O 3.26Å; F144-Q725 WeakPolarHBondContact CE1-O 3.45Å; P721-Q725 PolarHBondContact O-NE2 2.95Å; P721-Q725 VanDerWaalsContact O-NE2 3.12Å; F722-Q725 WeakPolarHBondContact O-CB 3.44Å; F722-Q725 WeakPolarHBondContact O-CG 3.32Å; F722-Q725 PolarHBondContact O-N 3.16Å; I723-Q725 PolarHBondContact O-N 3.4Å; I723-Q725 VanDerWaalsContact O-N 3.1Å
726	F	89.7	Confident	91.9	Very high	31 Å²	31	32.7 Å²	32.7	14%	0.136	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-99.5	15.4	-179.9	-59	-90	0	0	0	113.2	F144 A148 L151 V152 R154 F157 T214 L218 I723 N724	F144-F726 HydrophobicContact CE1-CD1 4.41Å; F144-F726 AromaticContact CZ-CD1 3.92Å; F144-F726 HydrophobicContact CZ-CD1 3.92Å; F144-F726 AromaticContact CZ-CE1 3.96Å; F144-F726 HydrophobicContact CZ-CE1 3.96Å; A148-F726 HydrophobicContact CB-CB 4.34Å; A148-F726 HydrophobicContact CB-CD1 4.3Å; L151-F726 HydrophobicContact CD1-CE1 4.31Å; V152-F726 HydrophobicContact CB-CB 4.18Å; V152-F726 HydrophobicContact CB-CG 4.42Å; V152-F726 HydrophobicContact CG2-CB 3.94Å; V152-F726 HydrophobicContact CG2-CD1 3.84Å; V152-F726 HydrophobicContact CG2-CD2 3.99Å; V152-F726 HydrophobicContact CG2-CE1 4.32Å; V152-F726 HydrophobicContact CG2-CE2 4.47Å; V152-F726 HydrophobicContact CG2-CG 3.65Å; R154-F726 PolarHBondContact NH1-O 3.32Å; R154-F726 PolarHBondContact NH2-O 2.99Å; R154-F726 VanDerWaalsContact NH2-O 3.13Å; F157-F726 HydrophobicContact CZ-CB 4.47Å; T214-F726 HydrophobicContact CG2-CE1 3.89Å; T214-F726 HydrophobicContact CG2-CZ 3.79Å; L218-F726 HydrophobicContact CD1-CD2 4.23Å; L218-F726 HydrophobicContact CD1-CE2 3.99Å; I723-F726 PolarHBondContact O-N 3.18Å; N724-F726 PolarHBondContact O-N 2.61Å
727	T	88.6	Confident	91.6	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.08	19%	0.189	C	C	.	.			trans	-63.3	149.5	173.8	57.5	0	0	0	0	111.3	Y145 F157 S706 A707 N724	Y145-T727 VanDerWaalsContact CD1-O 3.3Å; Y145-T727 WeakPolarHBondContact CD1-O 3.23Å; Y145-T727 WeakPolarHBondContact CE1-O 3.44Å; F157-T727 HydrophobicContact CE1-CG2 4.2Å; S706-T727 WeakPolarHBondContact O-CG2 3.35Å; A707-T727 HydrophobicContact CB-CG2 3.85Å; N724-T727 HydrophobicContact CB-CG2 3.88Å; N724-T727 WeakPolarHBondContact O-CG2 3.42Å; N724-T727 PolarHBondContact O-N 2.92Å; N724-T727 PolarHBondContact O-OG1 2.91Å
728	V	82.2	Confident	91.2	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	20%	0.199	C	C	.	.			trans	-116.8	132.1	175	179.4	0	0	0	0	108.8	A148 N149 V730	A148-V728 HydrophobicContact CB-CG2 4.43Å; N149-V728 VanDerWaalsContact OD1-CG2 3.29Å; N149-V728 WeakPolarHBondContact OD1-CG2 3.32Å; V728-V730 VanDerWaalsContact C-N 3.27Å; V728-V730 WeakPolarHBondContact CG1-O 3.01Å; V728-V730 PolarHBondContact O-N 2.94Å
729	P	79.2	Confident	90.9	Very high	35 Å²	35	36 Å²	36	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	-75.6	-16.3	-173.7	31.8	-39.1	0	0	0	113.3	Y145 A808 V809	Y145-P729 HydrophobicContact CD2-CG 3.55Å; Y145-P729 HydrophobicContact CE2-CB 4.41Å; Y145-P729 HydrophobicContact CE2-CG 3.38Å; Y145-P729 HydrophobicContact CG-CG 4.3Å; P729-A808 CarbonylContact O-C 3.6Å; P729-A808 WeakPolarHBondContact O-CA 3.14Å; P729-V809 PolarHBondContact O-N 3.2Å
730	V	88.9	Confident	90.5	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.2	-179.7	-178.1	0	0	0	0	108.8	L663 V728 V732 F782 A806 A807 I833	L663-V730 HydrophobicContact CD2-CG1 3.94Å; V728-V730 VanDerWaalsContact C-N 3.27Å; V728-V730 WeakPolarHBondContact CG1-O 3.01Å; V728-V730 PolarHBondContact O-N 2.94Å; V730-V732 HydrophobicContact CG1-CG1 4.33Å; V730-F782 HydrophobicContact CG1-CE1 4.07Å; V730-F782 HydrophobicContact CG1-CZ 3.91Å; V730-A806 HydrophobicContact CG1-CB 4.15Å; V730-A807 CarbonylContact C-O 3.56Å; V730-A807 WeakPolarHBondContact CA-O 3.17Å; V730-I833 VanDerWaalsContact CG2-O 3.23Å; V730-I833 WeakPolarHBondContact CG2-O 3.33Å
731	H	89.9	Confident	90.5	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.6	171.1	-82.6	-111.2	0	0	0	109.2	L702 E705 S706 L734 A806 A807 V809	L702-H731 HydrophobicContact CD2-CB 4.45Å; E705-H731 PolarHBondContact O-CE1 3.34Å; S706-H731 VanDerWaalsContact CA-NE2 3.31Å; S706-H731 WeakPolarHBondContact CA-NE2 3.24Å; S706-H731 WeakPolarHBondContact CB-NE2 3.41Å; S706-H731 PolarHBondContact OG-CD2 2.8Å; S706-H731 VanDerWaalsContact OG-CD2 3.29Å; S706-H731 PolarHBondContact OG-CE1 2.8Å; S706-H731 PolarHBondContact OG-NE2 3.49Å; H731-L734 HydrophobicContact CB-CD1 4.04Å; H731-L734 HydrophobicContact CB-CD2 4.29Å; H731-L734 HydrophobicContact CB-CG 4.39Å; H731-A806 CarbonylContact O-C 3.57Å; H731-A806 WeakPolarHBondContact O-CA 3.49Å; H731-A806 VanDerWaalsContact O-CB 3.23Å; H731-A806 WeakPolarHBondContact O-CB 3.46Å; H731-A807 PolarHBondContact N-O 3.28Å; H731-A807 PolarHBondContact O-N 3.09Å; H731-V809 HydrophobicContact CB-CG2 4.43Å
732	V	91.2	Very high	90.5	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	172.8	-177.3	-65.9	0	0	0	0	109.9	C661 L663 V730 L734 A806	C661-V732 HydrophobicContact CB-CB 4.03Å; C661-V732 HydrophobicContact CB-CG2 4.41Å; C661-V732 WeakPolarHBondContact O-CB 3.34Å; L663-V732 HydrophobicContact CD1-CG1 3.87Å; L663-V732 HydrophobicContact CD2-CG1 3.81Å; L663-V732 HydrophobicContact CG-CG1 3.69Å; V730-V732 HydrophobicContact CG1-CG1 4.33Å; V732-L734 PolarHBondContact O-N 2.78Å; V732-A806 HydrophobicContact CG1-CB 4.27Å
733	F	89.4	Confident	90.6	Very high	131 Å²	131	48.6 Å²	48.6	58%	0.575	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.6	31.3	-176.4	-62.6	-72	0	0	0	113.8	C661 K804 Q805	C661-F733 HydrophobicContact CB-CD1 3.92Å; C661-F733 HydrophobicContact CB-CD2 3.97Å; C661-F733 HydrophobicContact CB-CE1 3.57Å; C661-F733 HydrophobicContact CB-CE2 3.61Å; C661-F733 HydrophobicContact CB-CG 4.11Å; C661-F733 HydrophobicContact CB-CZ 3.41Å; C661-F733 VanDerWaalsContact CB-CZ 3.41Å; C661-F733 PolarHBondContact O-N 3.05Å; F733-K804 HydrophobicContact CD1-CG 4.27Å; F733-Q805 PolarHBondContact N-O 3.18Å
734	L	91.6	Very high	90.8	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.6	180	-59	175.8	0	0	0	111.5	L702 H731 V732 F736 Q805 A807	L702-L734 HydrophobicContact CD2-CD1 4.02Å; L702-L734 HydrophobicContact CD2-CD2 3.85Å; H731-L734 HydrophobicContact CB-CD1 4.04Å; H731-L734 HydrophobicContact CB-CD2 4.29Å; H731-L734 HydrophobicContact CB-CG 4.39Å; V732-L734 PolarHBondContact O-N 2.78Å; L734-F736 PolarHBondContact O-N 2.78Å; L734-Q805 WeakPolarHBondContact CB-O 3.23Å; L734-Q805 PolarHBondContact N-O 3.18Å; L734-Q805 PolarHBondContact O-N 3.28Å; L734-Q805 PolarHBondContact O-OE1 2.94Å; L734-A807 HydrophobicContact CD1-CB 3.4Å
735	D	91.2	Very high	91	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.214	24%	0.238	C	C	.	.			trans	-90.7	89.6	161.8	-74.4	-64.4	0	0	0	109.6	P365 S737 T738 L739 K804	P365-D735 HydrophobicContact CG-CB 4.37Å; D735-S737 PolarHBondContact O-N 3.3Å; D735-S737 VanDerWaalsContact O-N 3.1Å; D735-T738 PolarHBondContact O-N 2.95Å; D735-T738 VanDerWaalsContact O-N 3.08Å; D735-T738 PolarHBondContact O-OG1 2.92Å; D735-L739 PolarHBondContact O-N 2.77Å; D735-L739 VanDerWaalsContact O-N 3.07Å; D735-K804 WeakPolarHBondContact OD1-CD 3.35Å; D735-K804 IonicContact OD1-NZ 3.75Å; D735-K804 PolarHBondContact OD1-NZ 2.9Å; D735-K804 IonicContact OD2-NZ 3.71Å; D735-K804 PolarHBondContact OD2-NZ 3.29Å
736	F	92.9	Very high	91.4	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.1	-175.6	-172.6	-141.8	0	0	0	112.5	M695 V697 L734 T738 L739 H743 P781 W783 L797 Q805	M695-F736 HydrophobicContact SD-CZ 4.38Å; V697-F736 HydrophobicContact CG1-CE2 4.19Å; V697-F736 HydrophobicContact CG1-CZ 4.13Å; L734-F736 PolarHBondContact O-N 2.78Å; F736-T738 PolarHBondContact O-N 3.31Å; F736-L739 HydrophobicContact CD2-CB 4.27Å; F736-L739 HydrophobicContact CD2-CD2 3.95Å; F736-L739 HydrophobicContact CE2-CD2 4.29Å; F736-H743 AromaticContact CZ-NE2 3.84Å; F736-P781 HydrophobicContact CD1-CB 4.41Å; F736-P781 HydrophobicContact CD2-CB 3.99Å; F736-P781 HydrophobicContact CD2-CG 4.13Å; F736-P781 HydrophobicContact CE1-CB 4.25Å; F736-P781 HydrophobicContact CE2-CB 3.82Å; F736-P781 HydrophobicContact CE2-CG 3.68Å; F736-P781 HydrophobicContact CG-CB 4.3Å; F736-P781 HydrophobicContact CZ-CB 3.97Å; F736-P781 HydrophobicContact CZ-CG 4.09Å; F736-W783 HydrophobicContact CD1-CE3 4.18Å; F736-W783 HydrophobicContact CD1-CZ3 4.1Å; F736-W783 HydrophobicContact CE1-CE3 4.2Å; F736-W783 HydrophobicContact CE1-CH2 4.28Å; F736-W783 AromaticContact CE1-CZ3 3.64Å; F736-W783 HydrophobicContact CE1-CZ3 3.64Å; F736-L797 HydrophobicContact CB-CD1 4.04Å; F736-L797 HydrophobicContact CD1-CD1 3.82Å; F736-L797 HydrophobicContact CD1-CD2 4.41Å; F736-L797 HydrophobicContact CG-CD1 4.41Å; F736-Q805 HydrophobicContact CB-CB 4.23Å; F736-Q805 HydrophobicContact CB-CG 4.19Å
737	S	90.1	Very high	91.7	Very high	88 Å²	88	49.4 Å²	49.4	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.6	177.3	72.9	0	0	0	0	114.7	D735	D735-S737 PolarHBondContact O-N 3.3Å; D735-S737 VanDerWaalsContact O-N 3.1Å
738	T	90.5	Very high	92.1	Very high	38 Å²	38	49.8 Å²	49.8	23%	0.233	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	0.6	-179	56.4	0	0	0	0	113.1	R363 P365 D735 F736 E740	R363-T738 WeakPolarHBondContact O-CB 3.44Å; R363-T738 VanDerWaalsContact O-CG2 3.24Å; R363-T738 WeakPolarHBondContact O-CG2 3.35Å; R363-T738 PolarHBondContact O-OG1 2.92Å; P365-T738 HydrophobicContact CB-CG2 4.29Å; P365-T738 HydrophobicContact CG-CG2 3.98Å; D735-T738 PolarHBondContact O-N 2.95Å; D735-T738 VanDerWaalsContact O-N 3.08Å; D735-T738 PolarHBondContact O-OG1 2.92Å; F736-T738 PolarHBondContact O-N 3.31Å; T738-E740 PolarHBondContact O-N 2.98Å
739	L	91.4	Very high	92.8	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.12	28%	0.277	C	S	.	.			trans	-63.2	121.9	172.4	-179.7	67.8	0	0	0	110.3	T701 L702 D735 F736 C741	T701-L739 HydrophobicContact CG2-CD1 4.23Å; L702-L739 HydrophobicContact CD1-CD2 3.77Å; L702-L739 HydrophobicContact CD2-CD1 4.22Å; L702-L739 HydrophobicContact CD2-CD2 4.42Å; L702-L739 HydrophobicContact CG-CD1 4.12Å; L702-L739 HydrophobicContact CG-CD2 4.07Å; D735-L739 PolarHBondContact O-N 2.77Å; D735-L739 VanDerWaalsContact O-N 3.07Å; F736-L739 HydrophobicContact CD2-CB 4.27Å; F736-L739 HydrophobicContact CD2-CD2 3.95Å; F736-L739 HydrophobicContact CE2-CD2 4.29Å; L739-C741 HydrophobicContact CD2-CB 4.32Å; L739-C741 HydrophobicContact CG-CB 4.32Å; L739-C741 PolarHBondContact O-N 3.06Å
740	E	90.7	Very high	93.5	Very high	133 Å²	133	51 Å²	51	62%	0.621	27%	0.266	S	S	*	.			trans	-68.8	104.9	171.4	-170.8	176.1	-178.6	0	0	109.9	S699 T738	S699-E740 PolarHBondContact OG-O 3Å; T738-E740 PolarHBondContact O-N 2.98Å
741	C	95.1	Very high	93.6	Very high	35 Å²	35	50.5 Å²	50.5	24%	0.236	26%	0.263	C	S	.	.			trans	-156	158.2	178.2	68.1	0	0	0	0	111.8	V697 E698 L739	V697-C741 HydrophobicContact CB-CB 4.19Å; V697-C741 HydrophobicContact CG2-CB 4.43Å; E698-C741 CarbonylContact O-C 3.6Å; E698-C741 WeakPolarHBondContact O-CA 3.18Å; E698-C741 WeakPolarHBondContact O-CB 3.48Å; L739-C741 HydrophobicContact CD2-CB 4.32Å; L739-C741 HydrophobicContact CG-CB 4.32Å; L739-C741 PolarHBondContact O-N 3.06Å
742	R	96.8	Very high	93.8	Very high	115 Å²	115	51.3 Å²	51.3	43%	0.434	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.4	169.3	-176.3	170.6	65.3	149.3	2.1	109.6	V697 E698 L744 G774	V697-R742 WeakPolarHBondContact CA-O 3.32Å; E698-R742 HydrophobicContact CB-CB 4.33Å; E698-R742 PolarHBondContact N-O 2.72Å; E698-R742 PolarHBondContact O-N 2.71Å; E698-R742 IonicContact OE2-CZ 3.33Å; E698-R742 IonicContact OE2-NE 2.75Å; E698-R742 IonicContact OE2-NH2 2.95Å; E698-R742 PolarHBondContact OE2-NH2 3.08Å; R742-L744 HydrophobicContact CG-CD2 4.28Å; R742-L744 PolarHBondContact O-N 3.14Å; R742-G774 VanDerWaalsContact CZ-O 3.22Å; R742-G774 PolarHBondContact NH1-O 3.26Å; R742-G774 VanDerWaalsContact NH1-O 3.08Å; R742-G774 PolarHBondContact NH2-O 3.11Å
743	H	97.3	Very high	93.8	Very high	95 Å²	95	49.3 Å²	49.3	44%	0.44	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.9	176.2	-60.2	-179.2	0	0	0	109.8	M695 F736 C773	M695-H743 HydrophobicContact SD-CB 3.68Å; M695-H743 PolarHBondContact SD-ND1 3.1Å; F736-H743 AromaticContact CZ-NE2 3.84Å; H743-C773 PolarHBondContact O-SG 3.21Å
744	L	97.8	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.			trans	-104.6	-6.4	-178.6	-59	-177.5	0	0	0	112.8	L696 E698 R742 A771 T772 C773 V777 V816	L696-L744 HydrophobicContact CB-CB 4.02Å; L696-L744 PolarHBondContact O-N 2.96Å; E698-L744 HydrophobicContact CB-CD1 4.03Å; E698-L744 HydrophobicContact CB-CD2 4.47Å; E698-L744 HydrophobicContact CB-CG 4.31Å; R742-L744 HydrophobicContact CG-CD2 4.28Å; R742-L744 PolarHBondContact O-N 3.14Å; L744-A771 CarbonylContact O-C 3.48Å; L744-A771 VanDerWaalsContact O-CA 3.23Å; L744-A771 WeakPolarHBondContact O-CA 3.35Å; L744-T772 PolarHBondContact O-N 3.42Å; L744-T772 PolarHBondContact O-OG1 3.04Å; L744-C773 VanDerWaalsContact CD2-SG 3.59Å; L744-V777 HydrophobicContact CD1-CB 4.31Å; L744-V777 HydrophobicContact CD1-CG2 3.73Å; L744-V816 HydrophobicContact CD1-CG2 4.27Å
745	S	97.8	Very high	94.2	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-145.8	167.9	174.1	75.2	0	0	0	0	111.5	M695 L696 V769	M695-S745 WeakPolarHBondContact CE-O 3.33Å; M695-S745 WeakPolarHBondContact CG-O 3.13Å; L696-S745 PolarHBondContact N-OG 3.22Å; S745-V769 VanDerWaalsContact CB-CG2 3.41Å
746	D	96.9	Very high	94.3	Very high	121 Å²	121	43.8 Å²	43.8	65%	0.647	23%	0.232	S	C	*	.			trans	-69.1	162.7	159.5	-66	-40	0	0	0	110.4
747	A	96.6	Very high	94.1	Very high	49 Å²	49	45 Å²	45	41%	0.405	24%	0.239	S	C	.	.			trans	-66.2	137.8	171.5	0	0	0	0	0	109.9	G694 M695 W783	G694-A747 WeakPolarHBondContact O-CA 3.16Å; M695-A747 HydrophobicContact CE-CB 4.08Å; A747-W783 HydrophobicContact CB-CH2 3.86Å; A747-W783 HydrophobicContact CB-CZ2 3.77Å
748	L	96.1	Very high	93.6	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.9	177.5	70.5	142.6	0	0	0	111.8	Y693 G694 L750 V767 V769 L824	Y693-L748 CarbonylContact C-O 3.57Å; Y693-L748 VanDerWaalsContact CA-O 3.23Å; Y693-L748 WeakPolarHBondContact CA-O 3.44Å; Y693-L748 WeakPolarHBondContact CD1-O 3.39Å; G694-L748 PolarHBondContact N-O 2.95Å; G694-L748 WeakPolarHBondContact O-CD2 3.35Å; G694-L748 PolarHBondContact O-N 3.27Å; L748-L750 HydrophobicContact CD1-CD2 3.88Å; L748-L750 HydrophobicContact CG-CD2 4.03Å; L748-L750 PolarHBondContact O-N 3.14Å; L748-V767 HydrophobicContact CD1-CB 4.06Å; L748-V767 HydrophobicContact CD1-CG1 3.42Å; L748-V767 VanDerWaalsContact CD1-CG1 3.42Å; L748-V769 HydrophobicContact CD1-CB 4.09Å; L748-V769 HydrophobicContact CD2-CB 3.89Å; L748-V769 HydrophobicContact CD2-CG1 4.38Å; L748-V769 HydrophobicContact CD2-CG2 3.76Å; L748-L824 HydrophobicContact CD1-CD1 4.29Å; L748-L824 HydrophobicContact CD2-CD1 4.45Å
749	E	96.6	Very high	93.2	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.3	169.2	-176.9	-168.2	103.5	0	0	109.7	V691 Y693 V752 R765	V691-E749 HydrophobicContact CG1-CG 3.69Å; Y693-E749 HydrophobicContact CE1-CB 4.38Å; E749-V752 HydrophobicContact CG-CG2 4.34Å; E749-R765 IonicContact OE1-CZ 3.48Å; E749-R765 IonicContact OE1-NH1 3.8Å; E749-R765 PolarHBondContact OE1-NH1 2.82Å; E749-R765 IonicContact OE1-NH2 2.68Å; E749-R765 PolarHBondContact OE1-NH2 2.88Å
750	L	95.2	Very high	92.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-55.5	174.3	-61.6	-178.7	0	0	0	110.4	V692 L748 R765 V767 F782 L824 V826 I835	V692-L750 HydrophobicContact CB-CB 4.43Å; V692-L750 HydrophobicContact CG1-CB 4.39Å; V692-L750 HydrophobicContact CG1-CD1 4.25Å; V692-L750 PolarHBondContact O-N 2.77Å; L748-L750 HydrophobicContact CD1-CD2 3.88Å; L748-L750 HydrophobicContact CG-CD2 4.03Å; L748-L750 PolarHBondContact O-N 3.14Å; L750-R765 VanDerWaalsContact O-CD 3.27Å; L750-R765 WeakPolarHBondContact O-CD 3.32Å; L750-R765 PolarHBondContact O-NH1 3.23Å; L750-V767 WeakPolarHBondContact O-CG2 3.48Å; L750-F782 HydrophobicContact CD1-CB 4.04Å; L750-L824 HydrophobicContact CD2-CD1 3.94Å; L750-V826 HydrophobicContact CB-CG1 4.42Å; L750-V826 HydrophobicContact CB-CG2 4.25Å; L750-V826 HydrophobicContact CD2-CG2 4.07Å; L750-I835 HydrophobicContact CD1-CD1 3.71Å
751	F	91.4	Very high	92.2	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	168.4	176.6	66.9	-84.3	0	0	0	112.5	V692 L753 V826 L828 I833	V692-F751 HydrophobicContact CB-CD1 3.85Å; V692-F751 HydrophobicContact CB-CE1 3.71Å; V692-F751 HydrophobicContact CB-CE2 4.47Å; V692-F751 HydrophobicContact CB-CG 4.32Å; V692-F751 HydrophobicContact CB-CZ 4.05Å; V692-F751 HydrophobicContact CG1-CD1 4.32Å; V692-F751 HydrophobicContact CG1-CE1 3.85Å; V692-F751 HydrophobicContact CG1-CZ 4.36Å; V692-F751 HydrophobicContact CG2-CD1 3.94Å; V692-F751 HydrophobicContact CG2-CD2 3.95Å; V692-F751 HydrophobicContact CG2-CE1 3.53Å; V692-F751 HydrophobicContact CG2-CE2 3.52Å; V692-F751 HydrophobicContact CG2-CG 4.16Å; V692-F751 HydrophobicContact CG2-CZ 3.31Å; V692-F751 PolarHBondContact N-O 2.88Å; F751-L753 HydrophobicContact CD2-CD2 3.97Å; F751-L753 HydrophobicContact CD2-CG 4.03Å; F751-L753 HydrophobicContact CE2-CD1 3.98Å; F751-L753 HydrophobicContact CE2-CD2 3.8Å; F751-L753 HydrophobicContact CE2-CG 3.68Å; F751-V826 HydrophobicContact CD1-CG1 3.68Å; F751-V826 HydrophobicContact CE1-CG1 3.92Å; F751-L828 HydrophobicContact CE2-CD2 4.05Å; F751-L828 HydrophobicContact CZ-CB 4.45Å; F751-L828 HydrophobicContact CZ-CD2 4.46Å; F751-I833 HydrophobicContact CE1-CD1 3.78Å; F751-I833 HydrophobicContact CE1-CG1 3.98Å; F751-I833 HydrophobicContact CE1-CG2 4.14Å; F751-I833 HydrophobicContact CZ-CD1 3.61Å; F751-I833 HydrophobicContact CZ-CG1 3.79Å
752	V	92.9	Very high	91.3	Very high	35 Å²	35	52.1 Å²	52.1	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.6	179	-177.4	0	0	0	0	109.3	K689 I690 V691 E749	K689-V752 HydrophobicContact CB-CG1 4.47Å; K689-V752 HydrophobicContact CD-CG1 4.44Å; I690-V752 CarbonylContact O-C 3.57Å; I690-V752 WeakPolarHBondContact O-CA 3.32Å; V691-V752 HydrophobicContact CG1-CG2 4.2Å; V691-V752 HydrophobicContact CG2-CG1 4.41Å; V691-V752 HydrophobicContact CG2-CG2 4.24Å; E749-V752 HydrophobicContact CG-CG2 4.34Å
753	L	92.7	Very high	90.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110	166.8	-58.8	178.6	0	0	0	108.7	V664 K689 I690 F751 N761 L828	V664-L753 HydrophobicContact CG1-CD1 4.34Å; K689-L753 CarbonylContact C-O 3.55Å; K689-L753 VanDerWaalsContact CA-O 3.24Å; K689-L753 WeakPolarHBondContact CA-O 3.38Å; I690-L753 HydrophobicContact CB-CB 4.36Å; I690-L753 PolarHBondContact N-O 2.9Å; I690-L753 PolarHBondContact O-N 3.11Å; F751-L753 HydrophobicContact CD2-CD2 3.97Å; F751-L753 HydrophobicContact CD2-CG 4.03Å; F751-L753 HydrophobicContact CE2-CD1 3.98Å; F751-L753 HydrophobicContact CE2-CD2 3.8Å; F751-L753 HydrophobicContact CE2-CG 3.68Å; L753-N761 HydrophobicContact CD2-CB 4.38Å; L753-L828 HydrophobicContact CD1-CD2 4Å; L753-L828 HydrophobicContact CD2-CD2 3.7Å; L753-L828 HydrophobicContact CG-CD2 4.43Å
754	D	93.8	Very high	90	Very high	9 Å²	9	53 Å²	53	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	111.8	171.7	-166	-34.3	0	0	0	108.7	K689 M756 D757 K760 N761	K689-D754 VanDerWaalsContact CE-OD2 3.24Å; K689-D754 WeakPolarHBondContact CE-OD2 3.28Å; K689-D754 HydrophobicContact CG-CB 4.39Å; K689-D754 IonicContact NZ-OD2 3.68Å; D754-M756 VanDerWaalsContact C-N 3.33Å; D754-M756 WeakPolarHBondContact OD1-CA 3.38Å; D754-M756 WeakPolarHBondContact OD1-CB 3.44Å; D754-M756 PolarHBondContact OD1-N 3.43Å; D754-D757 CarbonylContact O-C 3.49Å; D754-D757 PolarHBondContact OD1-N 3.03Å; D754-K760 HydrophobicContact CB-CB 4.47Å; D754-N761 PolarHBondContact N-OD1 2.92Å; D754-N761 PolarHBondContact O-ND2 2.95Å; D754-N761 PolarHBondContact O-OD1 3.49Å
755	L	93.9	Very high	89.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-81	-20.4	-178.7	-64.1	165.2	0	0	0	111.1	L668 M669 A672 R676 I685 P687 E688 I690	L668-L755 HydrophobicContact CD1-CD2 4Å; L668-L755 HydrophobicContact CD2-CD2 4.16Å; L668-L755 HydrophobicContact CG-CD2 3.9Å; M669-L755 HydrophobicContact SD-CD2 4.37Å; A672-L755 HydrophobicContact CB-CB 4.24Å; A672-L755 HydrophobicContact CB-CD2 3.62Å; R676-L755 WeakPolarHBondContact CD-O 3.33Å; I685-L755 HydrophobicContact CG2-CB 4.31Å; P687-L755 HydrophobicContact CB-CD1 4.46Å; P687-L755 HydrophobicContact CG-CD1 3.69Å; P687-L755 WeakPolarHBondContact O-CD1 3.49Å; E688-L755 PolarHBondContact O-N 3.02Å; I690-L755 HydrophobicContact CD1-CD1 4.16Å; I690-L755 HydrophobicContact CG1-CD1 4.29Å
756	M	93.4	Very high	89.5	Confident	61 Å²	61	62 Å²	62	30%	0.3	31%	0.308	S	S	.	.	S	Bend	trans	-84.9	-25.9	174.4	-67.2	-61.5	-68.6	0	0	112.1	R676 L679 I685 E688 D754	R676-M756 WeakPolarHBondContact CD-O 3.49Å; R676-M756 PolarHBondContact NH1-O 2.76Å; L679-M756 HydrophobicContact CD1-CE 4.25Å; L679-M756 HydrophobicContact CD1-SD 4.36Å; I685-M756 HydrophobicContact CB-SD 3.78Å; I685-M756 HydrophobicContact CD1-SD 4.24Å; I685-M756 HydrophobicContact CG1-SD 3.74Å; I685-M756 PolarHBondContact N-SD 2.89Å; E688-M756 HydrophobicContact CB-CG 4.28Å; E688-M756 HydrophobicContact CG-CG 4.13Å; D754-M756 VanDerWaalsContact C-N 3.33Å; D754-M756 WeakPolarHBondContact OD1-CA 3.38Å; D754-M756 WeakPolarHBondContact OD1-CB 3.44Å; D754-M756 PolarHBondContact OD1-N 3.43Å
757	D	89.6	Confident	89.4	Confident	40 Å²	40	57.2 Å²	57.2	21%	0.214	28%	0.283	C	S	.	.			trans	-137.5	86.1	178.9	-168.8	0.6	0	0	0	113.7	D754 N759 K760	D754-D757 CarbonylContact O-C 3.49Å; D754-D757 PolarHBondContact OD1-N 3.03Å; D757-N759 PolarHBondContact O-N 3.17Å; D757-N759 VanDerWaalsContact O-N 3.07Å; D757-N759 WeakPolarHBondContact OD1-CB 3.32Å; D757-N759 PolarHBondContact OD1-N 2.89Å; D757-K760 HydrophobicContact CB-CD 4.3Å; D757-K760 HydrophobicContact CB-CG 4.35Å; D757-K760 WeakPolarHBondContact O-CB 3.41Å; D757-K760 PolarHBondContact O-N 3.41Å; D757-K760 VanDerWaalsContact OD2-CE 3.29Å; D757-K760 WeakPolarHBondContact OD2-CE 3.38Å; D757-K760 WeakPolarHBondContact OD2-CG 3.31Å; D757-K760 IonicContact OD2-NZ 2.69Å; D757-K760 PolarHBondContact OD2-NZ 2.9Å
758	V	79.4	Confident	89.4	Confident	34 Å²	34	60.2 Å²	60.2	21%	0.206	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-61.4	-19.8	-179.3	-52.8	0	0	0	0	114.7	M669 K760 N761	M669-V758 HydrophobicContact CE-CB 3.92Å; M669-V758 HydrophobicContact CE-CG1 3.39Å; V758-K760 PolarHBondContact O-N 3.29Å; V758-N761 PolarHBondContact O-N 3.42Å
759	N	81.7	Confident	89.4	Confident	145 Å²	145	59.7 Å²	59.7	78%	0.775	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.3	178.5	-61.6	-47.8	0	0	0	112.3	D757	D757-N759 PolarHBondContact O-N 3.17Å; D757-N759 VanDerWaalsContact O-N 3.07Å; D757-N759 WeakPolarHBondContact OD1-CB 3.32Å; D757-N759 PolarHBondContact OD1-N 2.89Å
760	K	80.4	Confident	89.3	Confident	117 Å²	117	60.7 Å²	60.7	51%	0.509	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-88.3	-3.6	176	-68.1	-173.2	178.3	111.4	0	113.4	D754 D757 V758 Y762	D754-K760 HydrophobicContact CB-CB 4.47Å; D757-K760 HydrophobicContact CB-CD 4.3Å; D757-K760 HydrophobicContact CB-CG 4.35Å; D757-K760 WeakPolarHBondContact O-CB 3.41Å; D757-K760 PolarHBondContact O-N 3.41Å; D757-K760 VanDerWaalsContact OD2-CE 3.29Å; D757-K760 WeakPolarHBondContact OD2-CE 3.38Å; D757-K760 WeakPolarHBondContact OD2-CG 3.31Å; D757-K760 IonicContact OD2-NZ 2.69Å; D757-K760 PolarHBondContact OD2-NZ 2.9Å; V758-K760 PolarHBondContact O-N 3.29Å; K760-Y762 WeakPolarHBondContact O-CE2 3.31Å
761	N	82.1	Confident	89.4	Confident	34 Å²	34	60.8 Å²	60.8	18%	0.182	29%	0.29	C	S	.	.			trans	-86.4	136.5	-173.1	-63.7	-13.8	0	0	0	111.2	M669 L753 D754 V758	M669-N761 WeakPolarHBondContact CE-ND2 3.27Å; L753-N761 HydrophobicContact CD2-CB 4.38Å; D754-N761 PolarHBondContact N-OD1 2.92Å; D754-N761 PolarHBondContact O-ND2 2.95Å; D754-N761 PolarHBondContact O-OD1 3.49Å; V758-N761 PolarHBondContact O-N 3.42Å
762	Y	75.3	Confident	89.7	Confident	137 Å²	137	64.1 Å²	64.1	54%	0.537	31%	0.311	S	S	.	.			trans	-98.1	135	179.1	-57.5	-87.5	0	0	0	109.7	K760	K760-Y762 WeakPolarHBondContact O-CE2 3.31Å
763	I	79.1	Confident	89.8	Confident	131 Å²	131	64.2 Å²	64.2	67%	0.672	31%	0.313	S	S	*	.	S	Bend	trans	-83	-31.8	168.5	-60.7	175.3	0	0	0	109.6	R827 L828	I763-R827 CarbonylContact O-C 3.34Å; I763-R827 VanDerWaalsContact O-CA 3.3Å; I763-R827 WeakPolarHBondContact O-CA 3.39Å; I763-L828 WeakPolarHBondContact CG2-O 3.39Å; I763-L828 PolarHBondContact O-N 3.37Å
764	E	87.6	Confident	89.9	Confident	99 Å²	99	65.3 Å²	65.3	46%	0.463	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.2	178.2	-179.2	166.8	-151.4	0	0	109.9	V826 R827	E764-V826 CarbonylContact C-O 3.49Å; E764-V826 WeakPolarHBondContact CA-O 3.33Å; E764-R827 HydrophobicContact CB-CG 4.06Å; E764-R827 HydrophobicContact CG-CG 3.78Å; E764-R827 IonicContact OE1-CZ 3.26Å; E764-R827 VanDerWaalsContact OE1-CZ 3.3Å; E764-R827 IonicContact OE1-NE 3.04Å; E764-R827 PolarHBondContact OE1-NE 2.95Å; E764-R827 IonicContact OE1-NH2 3.01Å; E764-R827 PolarHBondContact OE1-NH2 3.16Å; E764-R827 IonicContact OE2-NE 3.89Å
765	R	91.6	Very high	90.1	Very high	74 Å²	74	65 Å²	65	28%	0.279	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133	175.1	-177.2	172.2	172.6	-159.7	18.3	110	E749 L750 V767 V826	E749-R765 IonicContact OE1-CZ 3.48Å; E749-R765 IonicContact OE1-NH1 3.8Å; E749-R765 PolarHBondContact OE1-NH1 2.82Å; E749-R765 IonicContact OE1-NH2 2.68Å; E749-R765 PolarHBondContact OE1-NH2 2.88Å; L750-R765 VanDerWaalsContact O-CD 3.27Å; L750-R765 WeakPolarHBondContact O-CD 3.32Å; L750-R765 PolarHBondContact O-NH1 3.23Å; R765-V767 HydrophobicContact CG-CG2 3.89Å; R765-V826 PolarHBondContact N-O 3.47Å; R765-V826 PolarHBondContact O-N 2.88Å
766	E	93.9	Very high	90.2	Very high	117 Å²	117	69.1 Å²	69.1	55%	0.547	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131	165.7	-66.9	-165.5	155.2	0	0	109.8	R823 L824	E766-R823 WeakPolarHBondContact OE2-CD 3.48Å; E766-R823 IonicContact OE2-NH1 3.21Å; E766-R823 PolarHBondContact OE2-NH1 3.32Å; E766-L824 CarbonylContact C-O 3.41Å; E766-L824 WeakPolarHBondContact CA-O 3.32Å
767	V	94.8	Very high	90.3	Very high	20 Å²	20	66.2 Å²	66.2	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141	175.8	-163.7	0	0	0	0	109.8	L748 L750 R765 L824	L748-V767 HydrophobicContact CD1-CB 4.06Å; L748-V767 HydrophobicContact CD1-CG1 3.42Å; L748-V767 VanDerWaalsContact CD1-CG1 3.42Å; L750-V767 WeakPolarHBondContact O-CG2 3.48Å; R765-V767 HydrophobicContact CG-CG2 3.89Å; V767-L824 PolarHBondContact N-O 3.1Å; V767-L824 PolarHBondContact O-N 3.05Å
768	K	95.2	Very high	90.6	Very high	113 Å²	113	64.3 Å²	64.3	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.4	175.4	-61.2	-167	-174.8	-158.5	0	109.9	W821 I822 D840	K768-W821 HydrophobicContact CB-CE3 3.92Å; K768-W821 HydrophobicContact CB-CZ3 4.07Å; K768-I822 WeakPolarHBondContact CA-O 3.36Å; K768-D840 WeakPolarHBondContact CD-OD2 3.25Å; K768-D840 WeakPolarHBondContact CE-OD2 3.49Å; K768-D840 IonicContact NZ-OD2 3.4Å; K768-D840 PolarHBondContact NZ-OD2 3.28Å
769	V	95.9	Very high	91.5	Very high	10 Å²	10	62.7 Å²	62.7	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.6	174.6	55.4	0	0	0	0	108.9	L696 S745 L748 I822 L824	L696-V769 HydrophobicContact CD1-CG1 3.73Å; L696-V769 HydrophobicContact CD1-CG2 4.37Å; L696-V769 HydrophobicContact CD2-CG1 4.06Å; L696-V769 HydrophobicContact CG-CG1 3.92Å; L696-V769 HydrophobicContact CG-CG2 4.38Å; S745-V769 VanDerWaalsContact CB-CG2 3.41Å; L748-V769 HydrophobicContact CD1-CB 4.09Å; L748-V769 HydrophobicContact CD2-CB 3.89Å; L748-V769 HydrophobicContact CD2-CG1 4.38Å; L748-V769 HydrophobicContact CD2-CG2 3.76Å; V769-I822 HydrophobicContact CG1-CB 4.05Å; V769-I822 PolarHBondContact N-O 3.21Å; V769-I822 PolarHBondContact O-N 3.49Å; V769-L824 HydrophobicContact CG1-CD1 4.02Å; V769-L824 HydrophobicContact CG1-CG 4.11Å
770	Q	96.2	Very high	92.2	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134	175.6	-164.9	172.5	34.1	0	0	109.9	T772 G819 D820 W821	Q770-T772 PolarHBondContact O-N 2.87Å; Q770-G819 PolarHBondContact NE2-O 3.39Å; Q770-D820 CarbonylContact C-O 3.58Å; Q770-D820 WeakPolarHBondContact CA-O 3.43Å; Q770-W821 HydrophobicContact CB-CD2 4.27Å; Q770-W821 HydrophobicContact CB-CE3 4.1Å; Q770-W821 HydrophobicContact CB-CH2 4.15Å; Q770-W821 HydrophobicContact CB-CZ2 4.29Å; Q770-W821 HydrophobicContact CB-CZ3 4.05Å; Q770-W821 HydrophobicContact CG-CD2 4.41Å; Q770-W821 HydrophobicContact CG-CZ2 4.48Å
771	A	96.8	Very high	93	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	24%	0.244	C	C	.	.			trans	-70.2	127.3	172.8	0	0	0	0	0	110.3	L744 V816 Q817 G819 D820 I822	L744-A771 CarbonylContact O-C 3.48Å; L744-A771 VanDerWaalsContact O-CA 3.23Å; L744-A771 WeakPolarHBondContact O-CA 3.35Å; A771-V816 HydrophobicContact CB-CB 4.23Å; A771-V816 HydrophobicContact CB-CG2 3.97Å; A771-Q817 WeakPolarHBondContact CB-O 3.11Å; A771-G819 PolarHBondContact O-N 3.31Å; A771-D820 PolarHBondContact N-O 2.77Å; A771-I822 HydrophobicContact CB-CD1 3.75Å
772	T	96.8	Very high	93.7	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.46	24%	0.236	S	C	.	.	S	Bend	trans	-83.6	-23.3	178.8	55.3	0	0	0	0	112	L744 Q770	L744-T772 PolarHBondContact O-N 3.42Å; L744-T772 PolarHBondContact O-OG1 3.04Å; Q770-T772 PolarHBondContact O-N 2.87Å
773	C	95.8	Very high	94.8	Very high	38 Å²	38	43 Å²	43	26%	0.257	21%	0.213	S	C	.	.	S	Bend	trans	-146.8	163.7	175.3	65.6	0	0	0	0	111.8	H743 L744	H743-C773 PolarHBondContact O-SG 3.21Å; L744-C773 VanDerWaalsContact CD2-SG 3.59Å
774	G	95.6	Very high	95.7	Very high	24 Å²	24	36.8 Å²	36.8	25%	0.247	18%	0.181	C	C	.	.			trans	-80.6	138	178.6	0	0	0	0	0	112.6	R742 V816	R742-G774 VanDerWaalsContact CZ-O 3.22Å; R742-G774 PolarHBondContact NH1-O 3.26Å; R742-G774 VanDerWaalsContact NH1-O 3.08Å; R742-G774 PolarHBondContact NH2-O 3.11Å; G774-V816 CarbonylContact C-O 3.46Å; G774-V816 WeakPolarHBondContact CA-O 3.45Å
775	G	95.9	Very high	96.1	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-177.6	-173.6	0	0	0	0	0	114.5	E698 Q815 V816	E698-G775 VanDerWaalsContact OE2-CA 3.28Å; E698-G775 WeakPolarHBondContact OE2-CA 3.47Å; G775-Q815 PolarHBondContact O-OE1 2.92Å; G775-V816 PolarHBondContact N-O 3.22Å; G775-V816 VanDerWaalsContact O-CG2 3.29Å; G775-V816 WeakPolarHBondContact O-CG2 3.33Å; G775-V816 PolarHBondContact O-N 3.21Å
776	R	96.1	Very high	96.4	Very high	86 Å²	86	31 Å²	31	33%	0.325	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.1	177.4	-178.3	173.6	67.5	-173.4	-2.3	109.2	E698 D700 T778 P813 L814	E698-R776 WeakPolarHBondContact CA-O 3.23Å; E698-R776 WeakPolarHBondContact CB-O 3.4Å; E698-R776 HydrophobicContact CG-CB 4.31Å; E698-R776 VanDerWaalsContact CG-O 3.22Å; E698-R776 WeakPolarHBondContact CG-O 3.35Å; E698-R776 PolarHBondContact OE2-N 3.44Å; D700-R776 IonicContact OD1-CZ 2.74Å; D700-R776 IonicContact OD1-NH2 3.3Å; D700-R776 PolarHBondContact OD1-NH2 3.33Å; D700-R776 IonicContact OD2-NH2 2.96Å; R776-T778 HydrophobicContact CG-CG2 4.07Å; R776-T778 WeakPolarHBondContact O-CG2 3.09Å; R776-T778 PolarHBondContact O-N 3.32Å; R776-P813 HydrophobicContact CG-CB 3.35Å; R776-P813 HydrophobicContact CG-CG 4.46Å; R776-L814 CarbonylContact C-O 3.57Å; R776-L814 WeakPolarHBondContact CA-O 3.44Å
777	V	96.9	Very high	96.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	108.4	172.4	-173.1	0	0	0	0	107.7	L696 L744 L810 P813 L814 V816	L696-V777 HydrophobicContact CB-CG1 4.18Å; L696-V777 HydrophobicContact CB-CG2 4.4Å; L696-V777 HydrophobicContact CD1-CG2 4.18Å; L696-V777 HydrophobicContact CD2-CG1 4.03Å; L744-V777 HydrophobicContact CD1-CB 4.31Å; L744-V777 HydrophobicContact CD1-CG2 3.73Å; V777-L810 HydrophobicContact CB-CD1 4.33Å; V777-L810 HydrophobicContact CG1-CD1 3.77Å; V777-P813 CarbonylContact O-C 3.45Å; V777-P813 VanDerWaalsContact O-CA 3.24Å; V777-P813 WeakPolarHBondContact O-CA 3.41Å; V777-P813 WeakPolarHBondContact O-CB 3.15Å; V777-L814 HydrophobicContact CB-CB 4.21Å; V777-L814 PolarHBondContact N-O 3.22Å; V777-L814 PolarHBondContact O-N 3.12Å; V777-V816 HydrophobicContact CG2-CB 4.48Å; V777-V816 HydrophobicContact CG2-CG1 3.75Å; V777-V816 HydrophobicContact CG2-CG2 3.82Å
778	T	96.1	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-27.1	177.9	66.3	0	0	0	0	111.8	V697 E698 S699 L703 R776 L810 P813	V697-T778 PolarHBondContact O-N 2.81Å; E698-T778 HydrophobicContact CG-CG2 4.42Å; S699-T778 PolarHBondContact N-OG1 2.79Å; S699-T778 PolarHBondContact O-OG1 3.15Å; L703-T778 HydrophobicContact CD1-CG2 3.55Å; L703-T778 HydrophobicContact CD2-CG2 4.49Å; L703-T778 HydrophobicContact CG-CG2 4.03Å; R776-T778 HydrophobicContact CG-CG2 4.07Å; R776-T778 WeakPolarHBondContact O-CG2 3.09Å; R776-T778 PolarHBondContact O-N 3.32Å; T778-L810 WeakPolarHBondContact O-CB 3.39Å; T778-L810 PolarHBondContact O-N 3.15Å; T778-P813 HydrophobicContact CG2-CB 4.22Å; T778-P813 HydrophobicContact CG2-CG 4.4Å
779	A	96.9	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.3	-178.3	0	0	0	0	0	112.7	V697 L702 A808 V809	V697-A779 HydrophobicContact CG2-CB 3.98Å; V697-A779 PolarHBondContact N-O 2.92Å; V697-A779 PolarHBondContact O-N 3.5Å; L702-A779 HydrophobicContact CD1-CB 3.61Å; A779-A808 CarbonylContact C-O 3.59Å; A779-A808 VanDerWaalsContact CA-O 3.23Å; A779-A808 WeakPolarHBondContact CA-O 3.44Å; A779-A808 WeakPolarHBondContact CB-O 3.34Å; A779-V809 HydrophobicContact CB-CG2 4.27Å
780	V	97.4	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	89	167.7	-173	0	0	0	0	108.9	M695 L696 A808 L824 I835	M695-V780 WeakPolarHBondContact O-CA 3.36Å; L696-V780 HydrophobicContact CD2-CG2 3.89Å; V780-A808 PolarHBondContact N-O 3.35Å; V780-A808 PolarHBondContact O-N 3.19Å; V780-L824 HydrophobicContact CG1-CD1 4.46Å; V780-L824 HydrophobicContact CG2-CD2 4.33Å; V780-I835 HydrophobicContact CB-CD1 4.12Å; V780-I835 HydrophobicContact CB-CG2 4.37Å; V780-I835 HydrophobicContact CG1-CD1 3.86Å; V780-I835 HydrophobicContact CG2-CG2 4.2Å
781	P	97.3	Very high	96	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	141.7	165.1	-24.4	34.8	0	0	0	110.7	G694 M695 V697 F736 A806 A807	G694-P781 WeakPolarHBondContact CA-O 3.24Å; M695-P781 PolarHBondContact N-O 2.78Å; M695-P781 WeakPolarHBondContact O-CD 3.45Å; V697-P781 HydrophobicContact CB-CG 4.44Å; V697-P781 HydrophobicContact CG1-CG 3.9Å; V697-P781 VanDerWaalsContact CG2-CD 3.45Å; V697-P781 HydrophobicContact CG2-CG 3.66Å; F736-P781 HydrophobicContact CD1-CB 4.41Å; F736-P781 HydrophobicContact CD2-CB 3.99Å; F736-P781 HydrophobicContact CD2-CG 4.13Å; F736-P781 HydrophobicContact CE1-CB 4.25Å; F736-P781 HydrophobicContact CE2-CB 3.82Å; F736-P781 HydrophobicContact CE2-CG 3.68Å; F736-P781 HydrophobicContact CG-CB 4.3Å; F736-P781 HydrophobicContact CZ-CB 3.97Å; F736-P781 HydrophobicContact CZ-CG 4.09Å; P781-A806 CarbonylContact C-O 3.59Å; P781-A806 WeakPolarHBondContact CA-O 3.32Å; P781-A807 HydrophobicContact CB-CB 4.18Å; P781-A807 HydrophobicContact CG-CB 4.07Å
782	F	97.4	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.3	177.9	62.7	-94.7	0	0	0	112.2	L663 V692 Y693 V730 L750 Y784 A806 I833 I835	L663-F782 HydrophobicContact CD2-CZ 4.33Å; V692-F782 HydrophobicContact CG1-CB 4.29Å; V692-F782 HydrophobicContact CG1-CD2 4.37Å; Y693-F782 CarbonylContact O-C 3.57Å; Y693-F782 WeakPolarHBondContact O-CA 3.2Å; Y693-F782 WeakPolarHBondContact O-CB 3.41Å; V730-F782 HydrophobicContact CG1-CE1 4.07Å; V730-F782 HydrophobicContact CG1-CZ 3.91Å; L750-F782 HydrophobicContact CD1-CB 4.04Å; F782-Y784 WeakPolarHBondContact CE2-OH 3.43Å; F782-A806 HydrophobicContact CD2-CB 4.4Å; F782-A806 HydrophobicContact CE1-CB 3.93Å; F782-A806 HydrophobicContact CE2-CB 3.65Å; F782-A806 HydrophobicContact CZ-CB 3.38Å; F782-A806 PolarHBondContact N-O 3.34Å; F782-A806 PolarHBondContact O-N 3.48Å; F782-I833 HydrophobicContact CD2-CD1 4.05Å; F782-I833 HydrophobicContact CE2-CB 4.48Å; F782-I833 HydrophobicContact CE2-CD1 3.72Å; F782-I833 HydrophobicContact CZ-CB 4.2Å; F782-I833 HydrophobicContact CZ-CD1 4.29Å; F782-I835 HydrophobicContact CD1-CD1 4.15Å
783	W	97.8	Very high	95.9	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.068	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	177.2	-179.1	64.6	92.3	0	0	0	109.7	Y693 M695 F736 A747 L797 Q805	Y693-W783 PolarHBondContact N-O 3.46Å; Y693-W783 PolarHBondContact O-N 2.81Å; M695-W783 HydrophobicContact CB-CH2 4.2Å; M695-W783 HydrophobicContact CB-CZ3 4.28Å; F736-W783 HydrophobicContact CD1-CE3 4.18Å; F736-W783 HydrophobicContact CD1-CZ3 4.1Å; F736-W783 HydrophobicContact CE1-CE3 4.2Å; F736-W783 HydrophobicContact CE1-CH2 4.28Å; F736-W783 AromaticContact CE1-CZ3 3.64Å; F736-W783 HydrophobicContact CE1-CZ3 3.64Å; A747-W783 HydrophobicContact CB-CH2 3.86Å; A747-W783 HydrophobicContact CB-CZ2 3.77Å; W783-L797 HydrophobicContact CB-CB 4.21Å; W783-L797 HydrophobicContact CD2-CB 4.35Å; W783-L797 HydrophobicContact CD2-CD2 3.75Å; W783-L797 HydrophobicContact CE3-CD2 4.22Å; W783-L797 HydrophobicContact CG-CB 3.81Å; W783-L797 HydrophobicContact CG-CD2 4.12Å; W783-L797 HydrophobicContact CG-CG 4.47Å; W783-L797 HydrophobicContact CH2-CD2 4.36Å; W783-L797 HydrophobicContact CZ2-CD2 3.89Å; W783-Q805 HydrophobicContact CB-CG 3.99Å
784	Y	97.1	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.3	-171.4	-47.9	-92.3	0	0	0	111.6	V658 G662 V664 I690 V691 V692 F782 T796 I833	V658-Y784 HydrophobicContact CG1-CD2 3.71Å; V658-Y784 HydrophobicContact CG1-CE2 3.65Å; V658-Y784 HydrophobicContact CG2-CD1 4.31Å; V658-Y784 HydrophobicContact CG2-CD2 3.95Å; V658-Y784 HydrophobicContact CG2-CE2 4.32Å; V658-Y784 HydrophobicContact CG2-CG 3.95Å; G662-Y784 WeakPolarHBondContact O-CE2 3.4Å; G662-Y784 PolarHBondContact O-OH 3.25Å; V664-Y784 HydrophobicContact CG2-CE1 3.8Å; I690-Y784 HydrophobicContact CG2-CD1 3.66Å; I690-Y784 HydrophobicContact CG2-CG 4.2Å; V691-Y784 CarbonylContact O-C 3.49Å; V691-Y784 WeakPolarHBondContact O-CA 3.38Å; V692-Y784 HydrophobicContact CB-CD1 4.46Å; V692-Y784 HydrophobicContact CG1-CD1 4.41Å; V692-Y784 HydrophobicContact CG1-CE1 4.23Å; V692-Y784 HydrophobicContact CG2-CD1 3.76Å; V692-Y784 HydrophobicContact CG2-CE1 3.8Å; F782-Y784 WeakPolarHBondContact CE2-OH 3.43Å; Y784-T796 HydrophobicContact CD2-CG2 4.03Å; Y784-T796 HydrophobicContact CG-CG2 4.42Å; Y784-T796 PolarHBondContact N-OG1 3.23Å; Y784-T796 PolarHBondContact O-N 3.26Å; Y784-T796 PolarHBondContact O-OG1 3.4Å; Y784-I833 HydrophobicContact CE1-CD1 4.19Å
785	Q	97.4	Very high	95.9	Very high	46 Å²	46	25.4 Å²	25.4	22%	0.215	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.3	158.1	-165.8	67.8	18	0	0	108.1	V691 Y693 Q787 S793 S795	V691-Q785 HydrophobicContact CB-CB 4.22Å; V691-Q785 PolarHBondContact N-O 2.75Å; V691-Q785 PolarHBondContact O-N 2.81Å; Y693-Q785 HydrophobicContact CD2-CB 4.22Å; Y693-Q785 HydrophobicContact CE2-CB 3.87Å; Q785-Q787 PolarHBondContact O-N 2.9Å; Q785-S793 VanDerWaalsContact NE2-CB 3.31Å; Q785-S793 PolarHBondContact NE2-OG 2.85Å; Q785-S795 PolarHBondContact OE1-OG 3.44Å
786	I	97.1	Very high	96	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.9	-179.5	-62.2	176.9	0	0	0	107.8	V658 P687 L788 S793 V794 T796 W803	V658-I786 HydrophobicContact CG2-CD1 4.29Å; P687-I786 HydrophobicContact CB-CG2 3.54Å; P687-I786 HydrophobicContact CG-CG2 3.72Å; I786-L788 HydrophobicContact CG2-CD2 3.98Å; I786-L788 PolarHBondContact O-N 2.74Å; I786-S793 CarbonylContact O-C 3.57Å; I786-S793 WeakPolarHBondContact O-CA 3.14Å; I786-S793 VanDerWaalsContact O-CB 3.29Å; I786-S793 WeakPolarHBondContact O-CB 3.19Å; I786-V794 HydrophobicContact CB-CB 4.44Å; I786-V794 WeakPolarHBondContact CB-O 3.46Å; I786-V794 PolarHBondContact N-O 2.8Å; I786-V794 PolarHBondContact O-N 2.87Å; I786-T796 HydrophobicContact CD1-CG2 3.86Å; I786-T796 HydrophobicContact CG1-CG2 4.3Å; I786-W803 HydrophobicContact CD1-CH2 3.68Å; I786-W803 HydrophobicContact CD1-CZ2 3.94Å; I786-W803 HydrophobicContact CD1-CZ3 4.15Å
787	Q	97.4	Very high	95.9	Very high	47 Å²	47	23.8 Å²	23.8	22%	0.22	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	106.6	-177.4	-171.5	169.4	19.6	0	0	110.1	P687 E688 K689 Q785 D789	P687-Q787 CarbonylContact C-O 3.38Å; P687-Q787 VanDerWaalsContact CB-O 3.25Å; P687-Q787 WeakPolarHBondContact CB-O 3.47Å; E688-Q787 PolarHBondContact N-O 2.63Å; K689-Q787 HydrophobicContact CB-CB 4.18Å; K689-Q787 PolarHBondContact N-O 3.25Å; K689-Q787 WeakPolarHBondContact O-CB 3.44Å; K689-Q787 PolarHBondContact O-N 3.31Å; Q785-Q787 PolarHBondContact O-N 2.9Å; Q787-D789 WeakPolarHBondContact CG-O 3.39Å; Q787-D789 PolarHBondContact NE2-O 2.81Å
788	L	96.9	Very high	95.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-77.5	-40.8	180	-56.3	-176.8	0	0	0	110.9	F543 A546 F686 P687 I786 V792 V794	F543-L788 HydrophobicContact CB-CD1 4.42Å; F543-L788 HydrophobicContact CD1-CD1 4.22Å; F543-L788 HydrophobicContact CD1-CD2 4.35Å; F543-L788 HydrophobicContact CD2-CD1 3.62Å; F543-L788 HydrophobicContact CD2-CD2 4.25Å; F543-L788 HydrophobicContact CE1-CD1 4.41Å; F543-L788 HydrophobicContact CE1-CD2 3.75Å; F543-L788 HydrophobicContact CE2-CD1 3.8Å; F543-L788 HydrophobicContact CE2-CD2 3.59Å; F543-L788 HydrophobicContact CE2-CG 4.34Å; F543-L788 HydrophobicContact CG-CD1 3.84Å; F543-L788 HydrophobicContact CZ-CD1 4.23Å; F543-L788 HydrophobicContact CZ-CD2 3.34Å; F543-L788 HydrophobicContact CZ-CG 4.45Å; A546-L788 HydrophobicContact CB-CB 3.85Å; A546-L788 HydrophobicContact CB-CD1 4.29Å; F686-L788 HydrophobicContact CD1-CB 4.02Å; F686-L788 WeakPolarHBondContact CD1-O 3.37Å; F686-L788 HydrophobicContact CE1-CB 4.4Å; F686-L788 WeakPolarHBondContact CE1-O 3.33Å; P687-L788 HydrophobicContact CB-CD2 4.14Å; I786-L788 HydrophobicContact CG2-CD2 3.98Å; I786-L788 PolarHBondContact O-N 2.74Å; L788-V792 HydrophobicContact CB-CG1 4.43Å; L788-V792 HydrophobicContact CD1-CG1 4.17Å; L788-V792 PolarHBondContact N-O 3.34Å; L788-V794 HydrophobicContact CD1-CG2 4.24Å
789	D	90.4	Very high	95.4	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	18%	0.178	C	C	.	.	S	Bend	trans	-148.3	-178.6	170.5	89.4	-9.4	0	0	0	109.6	K549 Q787 D791 V792	K549-D789 WeakPolarHBondContact CD-OD2 3.34Å; K549-D789 WeakPolarHBondContact CE-OD2 3.37Å; K549-D789 IonicContact NZ-OD2 2.71Å; K549-D789 PolarHBondContact NZ-OD2 2.94Å; Q787-D789 WeakPolarHBondContact CG-O 3.39Å; Q787-D789 PolarHBondContact NE2-O 2.81Å; D789-D791 PolarHBondContact O-N 3.3Å; D789-D791 VanDerWaalsContact O-N 3.11Å; D789-D791 WeakPolarHBondContact OD1-CA 3.47Å; D789-D791 PolarHBondContact OD1-N 2.79Å; D789-V792 PolarHBondContact N-O 3.24Å; D789-V792 PolarHBondContact O-N 2.9Å; D789-V792 WeakPolarHBondContact OD1-CA 3.48Å; D789-V792 VanDerWaalsContact OD1-CB 3.3Å; D789-V792 WeakPolarHBondContact OD1-CB 3.41Å; D789-V792 WeakPolarHBondContact OD1-CG2 3.23Å; D789-V792 PolarHBondContact OD1-N 2.75Å
790	P	88.9	Confident	94.9	Very high	81 Å²	81	36.9 Å²	36.9	53%	0.526	19%	0.193	S	C	.	.	S	Bend	trans	-55.2	-27.5	179.8	-30.2	37.6	0	0	0	116.2
791	D	93.4	Very high	94.8	Very high	131 Å²	131	37.1 Å²	37.1	70%	0.701	20%	0.195	S	C	*	.	S	Bend	trans	-112.4	-15.4	-172	-53.5	-54	0	0	0	113.2	K549 D789	K549-D791 IonicContact NZ-OD2 2.69Å; K549-D791 PolarHBondContact NZ-OD2 2.88Å; D789-D791 PolarHBondContact O-N 3.3Å; D789-D791 VanDerWaalsContact O-N 3.11Å; D789-D791 WeakPolarHBondContact OD1-CA 3.47Å; D789-D791 PolarHBondContact OD1-N 2.79Å
792	V	96.3	Very high	94.7	Very high	22 Å²	22	38 Å²	38	13%	0.133	20%	0.198	C	C	.	.			trans	-121.5	123.7	-171.9	-175.8	0	0	0	0	109.9	S542 T545 A546 L788 D789	S542-V792 WeakPolarHBondContact O-CG1 3.3Å; T545-V792 HydrophobicContact CG2-CG2 4.05Å; A546-V792 HydrophobicContact CB-CG1 4.46Å; L788-V792 HydrophobicContact CB-CG1 4.43Å; L788-V792 HydrophobicContact CD1-CG1 4.17Å; L788-V792 PolarHBondContact N-O 3.34Å; D789-V792 PolarHBondContact N-O 3.24Å; D789-V792 PolarHBondContact O-N 2.9Å; D789-V792 WeakPolarHBondContact OD1-CA 3.48Å; D789-V792 VanDerWaalsContact OD1-CB 3.3Å; D789-V792 WeakPolarHBondContact OD1-CB 3.41Å; D789-V792 WeakPolarHBondContact OD1-CG2 3.23Å; D789-V792 PolarHBondContact OD1-N 2.75Å
793	S	96.2	Very high	94.6	Very high	52 Å²	52	38.5 Å²	38.5	36%	0.364	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.3	178.2	58.3	0	0	0	0	112.3	Q785 I786	Q785-S793 VanDerWaalsContact NE2-CB 3.31Å; Q785-S793 PolarHBondContact NE2-OG 2.85Å; I786-S793 CarbonylContact O-C 3.57Å; I786-S793 WeakPolarHBondContact O-CA 3.14Å; I786-S793 VanDerWaalsContact O-CB 3.29Å; I786-S793 WeakPolarHBondContact O-CB 3.19Å
794	V	95.8	Very high	94.4	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	178.1	-177.8	0	0	0	0	108.7	Y539 I786 L788 W803	Y539-V794 HydrophobicContact CD2-CG1 4.3Å; I786-V794 HydrophobicContact CB-CB 4.44Å; I786-V794 WeakPolarHBondContact CB-O 3.46Å; I786-V794 PolarHBondContact N-O 2.8Å; I786-V794 PolarHBondContact O-N 2.87Å; L788-V794 HydrophobicContact CD1-CG2 4.24Å; V794-W803 HydrophobicContact CG1-CZ3 4.18Å
795	S	96.3	Very high	94.4	Very high	29 Å²	29	39.7 Å²	39.7	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133	176.2	-165.8	0	0	0	0	111.2	Q785 L797 S798	Q785-S795 PolarHBondContact OE1-OG 3.44Å; S795-L797 PolarHBondContact O-N 3.37Å; S795-L797 PolarHBondContact OG-N 3.25Å; S795-S798 VanDerWaalsContact O-CB 3.3Å; S795-S798 WeakPolarHBondContact O-CB 3.35Å; S795-S798 PolarHBondContact O-N 3.26Å; S795-S798 PolarHBondContact O-OG 3.33Å
796	T	96.8	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.7	172.1	71.1	0	0	0	0	112.8	Y784 I786 S801 W803 Q805	Y784-T796 HydrophobicContact CD2-CG2 4.03Å; Y784-T796 HydrophobicContact CG-CG2 4.42Å; Y784-T796 PolarHBondContact N-OG1 3.23Å; Y784-T796 PolarHBondContact O-N 3.26Å; Y784-T796 PolarHBondContact O-OG1 3.4Å; I786-T796 HydrophobicContact CD1-CG2 3.86Å; I786-T796 HydrophobicContact CG1-CG2 4.3Å; T796-S801 WeakPolarHBondContact O-CB 3.4Å; T796-S801 PolarHBondContact O-OG 3.25Å; T796-W803 HydrophobicContact CG2-CB 4.33Å; T796-W803 HydrophobicContact CG2-CD2 4.01Å; T796-W803 HydrophobicContact CG2-CE3 3.81Å; T796-W803 HydrophobicContact CG2-CG 4.27Å; T796-W803 HydrophobicContact CG2-CZ3 4.32Å; T796-Q805 PolarHBondContact O-NE2 3.13Å
797	L	95.3	Very high	94.2	Very high	56 Å²	56	37.2 Å²	37.2	29%	0.293	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.3	170.8	-172.7	60.3	0	0	0	112.2	F736 W783 S795 Q805	F736-L797 HydrophobicContact CB-CD1 4.04Å; F736-L797 HydrophobicContact CD1-CD1 3.82Å; F736-L797 HydrophobicContact CD1-CD2 4.41Å; F736-L797 HydrophobicContact CG-CD1 4.41Å; W783-L797 HydrophobicContact CB-CB 4.21Å; W783-L797 HydrophobicContact CD2-CB 4.35Å; W783-L797 HydrophobicContact CD2-CD2 3.75Å; W783-L797 HydrophobicContact CE3-CD2 4.22Å; W783-L797 HydrophobicContact CG-CB 3.81Å; W783-L797 HydrophobicContact CG-CD2 4.12Å; W783-L797 HydrophobicContact CG-CG 4.47Å; W783-L797 HydrophobicContact CH2-CD2 4.36Å; W783-L797 HydrophobicContact CZ2-CD2 3.89Å; S795-L797 PolarHBondContact O-N 3.37Å; S795-L797 PolarHBondContact OG-N 3.25Å; L797-Q805 HydrophobicContact CD1-CG 4.16Å
798	S	92.9	Very high	94.1	Very high	32 Å²	32	35.1 Å²	35.1	22%	0.224	19%	0.185	C	C	.	.	S	Bend	trans	-61.3	148.5	177.7	60.5	0	0	0	0	111.4	S795 N800 S801	S795-S798 VanDerWaalsContact O-CB 3.3Å; S795-S798 WeakPolarHBondContact O-CB 3.35Å; S795-S798 PolarHBondContact O-N 3.26Å; S795-S798 PolarHBondContact O-OG 3.33Å; S798-N800 PolarHBondContact O-N 3.42Å; S798-N800 VanDerWaalsContact O-N 3.15Å; S798-S801 WeakPolarHBondContact O-CB 3.41Å; S798-S801 PolarHBondContact O-N 3.23Å; S798-S801 PolarHBondContact OG-N 3.34Å
799	R	87.9	Confident	94	Very high	187 Å²	187	35.5 Å²	35.5	71%	0.706	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.6	-178.4	-175.3	179.3	179	-167.6	-0.4	113.4
800	N	88.1	Confident	94	Very high	56 Å²	56	36.2 Å²	36.2	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	15.1	-179.8	-59.7	-26.4	0	0	0	112.3	R319 N536 S798 H802	R319-N800 PolarHBondContact NH1-O 3.05Å; N536-N800 WeakPolarHBondContact CB-O 3.36Å; N536-N800 VanDerWaalsContact CG-O 3.27Å; N536-N800 PolarHBondContact ND2-O 3.43Å; S798-N800 PolarHBondContact O-N 3.42Å; S798-N800 VanDerWaalsContact O-N 3.15Å; N800-H802 PolarHBondContact O-N 3.28Å
801	S	94.1	Very high	93.5	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.042	19%	0.187	C	C	.	.			trans	-56.1	137.7	177.6	-175.6	0	0	0	0	110.4	R319 T796 S798 W803	R319-S801 PolarHBondContact NH1-O 2.85Å; R319-S801 PolarHBondContact NH2-O 3.25Å; T796-S801 WeakPolarHBondContact O-CB 3.4Å; T796-S801 PolarHBondContact O-OG 3.25Å; S798-S801 WeakPolarHBondContact O-CB 3.41Å; S798-S801 PolarHBondContact O-N 3.23Å; S798-S801 PolarHBondContact OG-N 3.34Å; S801-W803 PolarHBondContact OG-N 3.45Å; S801-W803 PolarHBondContact OG-O 3.36Å
802	H	94.8	Very high	93.2	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.083	19%	0.191	C	C	.	.	S	Bend	trans	-92.8	-7.3	168.7	62.3	-86.5	0	0	0	111.4	A532 L533 N536 N800	A532-H802 HydrophobicContact CB-CB 3.85Å; L533-H802 HydrophobicContact CB-CB 4.13Å; L533-H802 WeakPolarHBondContact CD1-CE1 3.28Å; N536-H802 PolarHBondContact ND2-ND1 3.16Å; N800-H802 PolarHBondContact O-N 3.28Å
803	W	95.4	Very high	93	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.045	20%	0.199	C	C	.	.	S	Bend	trans	-92.9	137.2	168.4	-57	-83.6	0	0	0	110.2	Y539 V658 I786 V794 T796 S801 Q805	Y539-W803 AromaticContact CD2-CH2 3.57Å; Y539-W803 HydrophobicContact CD2-CH2 3.57Å; Y539-W803 HydrophobicContact CD2-CZ3 4.09Å; Y539-W803 AromaticContact CE2-CH2 3.48Å; Y539-W803 HydrophobicContact CE2-CH2 3.48Å; Y539-W803 VanDerWaalsContact CE2-CH2 3.48Å; Y539-W803 HydrophobicContact CE2-CZ2 4.11Å; Y539-W803 HydrophobicContact CE2-CZ3 4.43Å; V658-W803 HydrophobicContact CG1-CG 4.33Å; V658-W803 PolarHBondContact O-NE1 3.28Å; I786-W803 HydrophobicContact CD1-CH2 3.68Å; I786-W803 HydrophobicContact CD1-CZ2 3.94Å; I786-W803 HydrophobicContact CD1-CZ3 4.15Å; V794-W803 HydrophobicContact CG1-CZ3 4.18Å; T796-W803 HydrophobicContact CG2-CB 4.33Å; T796-W803 HydrophobicContact CG2-CD2 4.01Å; T796-W803 HydrophobicContact CG2-CE3 3.81Å; T796-W803 HydrophobicContact CG2-CG 4.27Å; T796-W803 HydrophobicContact CG2-CZ3 4.32Å; S801-W803 PolarHBondContact OG-N 3.45Å; S801-W803 PolarHBondContact OG-O 3.36Å; W803-Q805 PolarHBondContact O-NE2 2.91Å
804	K	94.8	Very high	92.9	Very high	35 Å²	35	37.8 Å²	37.8	15%	0.152	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-81.2	169.7	162.9	-57.3	-65.9	176.7	171.6	0	109.9	E316 T660 G662 F733 D735	E316-K804 IonicContact OE1-NZ 3.84Å; T660-K804 WeakPolarHBondContact O-CB 3.41Å; T660-K804 PolarHBondContact O-N 3.31Å; G662-K804 WeakPolarHBondContact CA-O 3.27Å; F733-K804 HydrophobicContact CD1-CG 4.27Å; D735-K804 WeakPolarHBondContact OD1-CD 3.35Å; D735-K804 IonicContact OD1-NZ 3.75Å; D735-K804 PolarHBondContact OD1-NZ 2.9Å; D735-K804 IonicContact OD2-NZ 3.71Å; D735-K804 PolarHBondContact OD2-NZ 3.29Å
805	Q	96.3	Very high	92.9	Very high	8 Å²	8	43 Å²	43	4%	0.037	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	173.4	177.6	-61.2	81.3	59.9	0	0	110.3	F733 L734 F736 W783 T796 L797 W803	F733-Q805 PolarHBondContact N-O 3.18Å; L734-Q805 WeakPolarHBondContact CB-O 3.23Å; L734-Q805 PolarHBondContact N-O 3.18Å; L734-Q805 PolarHBondContact O-N 3.28Å; L734-Q805 PolarHBondContact O-OE1 2.94Å; F736-Q805 HydrophobicContact CB-CB 4.23Å; F736-Q805 HydrophobicContact CB-CG 4.19Å; W783-Q805 HydrophobicContact CB-CG 3.99Å; T796-Q805 PolarHBondContact O-NE2 3.13Å; L797-Q805 HydrophobicContact CD1-CG 4.16Å; W803-Q805 PolarHBondContact O-NE2 2.91Å
806	A	95.5	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.6	176.5	0	0	0	0	0	110.4	L663 V730 H731 V732 P781 F782	L663-A806 HydrophobicContact CD2-CB 4.34Å; V730-A806 HydrophobicContact CG1-CB 4.15Å; H731-A806 CarbonylContact O-C 3.57Å; H731-A806 WeakPolarHBondContact O-CA 3.49Å; H731-A806 VanDerWaalsContact O-CB 3.23Å; H731-A806 WeakPolarHBondContact O-CB 3.46Å; V732-A806 HydrophobicContact CG1-CB 4.27Å; P781-A806 CarbonylContact C-O 3.59Å; P781-A806 WeakPolarHBondContact CA-O 3.32Å; F782-A806 HydrophobicContact CD2-CB 4.4Å; F782-A806 HydrophobicContact CE1-CB 3.93Å; F782-A806 HydrophobicContact CE2-CB 3.65Å; F782-A806 HydrophobicContact CZ-CB 3.38Å; F782-A806 PolarHBondContact N-O 3.34Å; F782-A806 PolarHBondContact O-N 3.48Å
807	A	95.7	Very high	92.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.9	178.7	0	0	0	0	0	111.5	L702 V730 H731 L734 P781 V809	L702-A807 HydrophobicContact CD1-CB 3.97Å; V730-A807 CarbonylContact C-O 3.56Å; V730-A807 WeakPolarHBondContact CA-O 3.17Å; H731-A807 PolarHBondContact N-O 3.28Å; H731-A807 PolarHBondContact O-N 3.09Å; L734-A807 HydrophobicContact CD1-CB 3.4Å; P781-A807 HydrophobicContact CB-CB 4.18Å; P781-A807 HydrophobicContact CG-CB 4.07Å; A807-V809 PolarHBondContact O-N 3.11Å
808	A	94.8	Very high	92.8	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.3	167.8	0	0	0	0	0	108.9	P729 A779 V780 I835	P729-A808 CarbonylContact O-C 3.6Å; P729-A808 WeakPolarHBondContact O-CA 3.14Å; A779-A808 CarbonylContact C-O 3.59Å; A779-A808 VanDerWaalsContact CA-O 3.23Å; A779-A808 WeakPolarHBondContact CA-O 3.44Å; A779-A808 WeakPolarHBondContact CB-O 3.34Å; V780-A808 PolarHBondContact N-O 3.35Å; V780-A808 PolarHBondContact O-N 3.19Å; A808-I835 HydrophobicContact CB-CB 3.73Å; A808-I835 HydrophobicContact CB-CD1 3.97Å; A808-I835 HydrophobicContact CB-CG1 3.96Å
809	V	94	Very high	92.9	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128	-178.8	-173	0	0	0	0	109.7	L702 L703 S706 P729 H731 A779 A807 Q811	L702-V809 HydrophobicContact CB-CG2 4.18Å; L703-V809 HydrophobicContact CD2-CG1 3.91Å; S706-V809 WeakPolarHBondContact OG-CG1 3.43Å; S706-V809 WeakPolarHBondContact OG-CG2 3.48Å; P729-V809 PolarHBondContact O-N 3.2Å; H731-V809 HydrophobicContact CB-CG2 4.43Å; A779-V809 HydrophobicContact CB-CG2 4.27Å; A807-V809 PolarHBondContact O-N 3.11Å; V809-Q811 PolarHBondContact O-N 3.43Å
810	L	91	Very high	93.3	Very high	18 Å²	18	41.3 Å²	41.3	9%	0.094	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.3	178.4	-57.7	-178.1	0	0	0	109.2	V777 T778 D812 A837	V777-L810 HydrophobicContact CB-CD1 4.33Å; V777-L810 HydrophobicContact CG1-CD1 3.77Å; T778-L810 WeakPolarHBondContact O-CB 3.39Å; T778-L810 PolarHBondContact O-N 3.15Å; L810-D812 PolarHBondContact O-N 3.02Å; L810-A837 HydrophobicContact CD1-CB 3.85Å; L810-A837 HydrophobicContact CD2-CB 4.15Å
811	Q	78.9	Confident	93.7	Very high	93 Å²	93	44.5 Å²	44.5	44%	0.435	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	-35	176.4	-64.7	-61.3	-36.6	0	0	111.9	V809 P813	V809-Q811 PolarHBondContact O-N 3.43Å; Q811-P813 WeakPolarHBondContact O-CD 3.16Å
812	D	86	Confident	93.8	Very high	146 Å²	146	44.2 Å²	44.2	78%	0.781	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	96.7	172.8	-64.6	-58.6	0	0	0	108.8	L810	L810-D812 PolarHBondContact O-N 3.02Å
813	P	92.3	Very high	93.8	Very high	47 Å²	47	46.9 Å²	46.9	31%	0.305	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	140.6	-179	-25	34.3	0	0	0	112.6	L703 R776 V777 T778 Q811	L703-P813 HydrophobicContact CD1-CG 4.12Å; L703-P813 HydrophobicContact CD2-CG 4.13Å; R776-P813 HydrophobicContact CG-CB 3.35Å; R776-P813 HydrophobicContact CG-CG 4.46Å; V777-P813 CarbonylContact O-C 3.45Å; V777-P813 VanDerWaalsContact O-CA 3.24Å; V777-P813 WeakPolarHBondContact O-CA 3.41Å; V777-P813 WeakPolarHBondContact O-CB 3.15Å; T778-P813 HydrophobicContact CG2-CB 4.22Å; T778-P813 HydrophobicContact CG2-CG 4.4Å; Q811-P813 WeakPolarHBondContact O-CD 3.16Å
814	L	94.4	Very high	93.8	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.173	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.9	-174.9	-173.1	67.5	0	0	0	110.6	R776 V777 V816 I822 L839	R776-L814 CarbonylContact C-O 3.57Å; R776-L814 WeakPolarHBondContact CA-O 3.44Å; V777-L814 HydrophobicContact CB-CB 4.21Å; V777-L814 PolarHBondContact N-O 3.22Å; V777-L814 PolarHBondContact O-N 3.12Å; L814-V816 HydrophobicContact CD2-CG1 4.16Å; L814-V816 HydrophobicContact CG-CG1 4.1Å; L814-I822 HydrophobicContact CD2-CG1 4.28Å; L814-I822 HydrophobicContact CD2-CG2 4.09Å; L814-L839 HydrophobicContact CD1-CD1 3.98Å; L814-L839 HydrophobicContact CD1-CG 3.88Å; L814-L839 HydrophobicContact CD2-CG 4.02Å; L814-L839 HydrophobicContact CG-CD1 4.47Å; L814-L839 HydrophobicContact CG-CG 4.09Å
815	Q	96.3	Very high	93.8	Very high	115 Å²	115	45.1 Å²	45.1	54%	0.537	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.2	171.3	-102.4	-63.8	2.1	0	0	111.1	G775	G775-Q815 PolarHBondContact O-OE1 2.92Å
816	V	95.7	Very high	93.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.5	-177.9	-57.6	0	0	0	0	111.6	L744 A771 G774 G775 V777 L814 D820 I822 L839	L744-V816 HydrophobicContact CD1-CG2 4.27Å; A771-V816 HydrophobicContact CB-CB 4.23Å; A771-V816 HydrophobicContact CB-CG2 3.97Å; G774-V816 CarbonylContact C-O 3.46Å; G774-V816 WeakPolarHBondContact CA-O 3.45Å; G775-V816 PolarHBondContact N-O 3.22Å; G775-V816 VanDerWaalsContact O-CG2 3.29Å; G775-V816 WeakPolarHBondContact O-CG2 3.33Å; G775-V816 PolarHBondContact O-N 3.21Å; V777-V816 HydrophobicContact CG2-CB 4.48Å; V777-V816 HydrophobicContact CG2-CG1 3.75Å; V777-V816 HydrophobicContact CG2-CG2 3.82Å; L814-V816 HydrophobicContact CD2-CG1 4.16Å; L814-V816 HydrophobicContact CG-CG1 4.1Å; V816-D820 HydrophobicContact CB-CB 4.49Å; V816-I822 HydrophobicContact CG1-CD1 4.02Å; V816-I822 HydrophobicContact CG1-CG1 3.94Å; V816-L839 HydrophobicContact CG1-CD2 4.19Å
817	Q	95.8	Very high	93.4	Very high	121 Å²	121	50 Å²	50	57%	0.565	26%	0.255	S	S	*	.			trans	-111.4	160.9	169.6	-63.1	-60.8	-42.5	0	0	110.7	A771 G819 D820	A771-Q817 WeakPolarHBondContact CB-O 3.11Å; Q817-G819 PolarHBondContact O-N 3.14Å; Q817-D820 PolarHBondContact N-OD2 3.09Å; Q817-D820 WeakPolarHBondContact O-CB 3.28Å; Q817-D820 PolarHBondContact O-N 3.07Å; Q817-D820 VanDerWaalsContact O-N 3.11Å
818	A	95.4	Very high	92.9	Very high	63 Å²	63	50.9 Å²	50.9	52%	0.521	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	126.8	173	0	0	0	0	0	110.2
819	G	94.3	Very high	92.1	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-10.6	-178.4	0	0	0	0	0	115.1	Q770 A771 Q817	Q770-G819 PolarHBondContact NE2-O 3.39Å; A771-G819 PolarHBondContact O-N 3.31Å; Q817-G819 PolarHBondContact O-N 3.14Å
820	D	95.6	Very high	91.2	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	30%	0.297	S	S	.	.			trans	-62.4	141.6	175.5	-74.5	-9.9	0	0	0	110.7	Q770 A771 V816 Q817 I822 L839	Q770-D820 CarbonylContact C-O 3.58Å; Q770-D820 WeakPolarHBondContact CA-O 3.43Å; A771-D820 PolarHBondContact N-O 2.77Å; V816-D820 HydrophobicContact CB-CB 4.49Å; Q817-D820 PolarHBondContact N-OD2 3.09Å; Q817-D820 WeakPolarHBondContact O-CB 3.28Å; Q817-D820 PolarHBondContact O-N 3.07Å; Q817-D820 VanDerWaalsContact O-N 3.11Å; D820-I822 HydrophobicContact CB-CD1 4.37Å; D820-I822 WeakPolarHBondContact O-CD1 3.41Å; D820-L839 HydrophobicContact CB-CD2 4.05Å
821	W	96.1	Very high	90.4	Very high	123 Å²	123	59.2 Å²	59.2	47%	0.466	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128	172.4	-75.1	95.8	0	0	0	109.9	K768 Q770 D840	K768-W821 HydrophobicContact CB-CE3 3.92Å; K768-W821 HydrophobicContact CB-CZ3 4.07Å; Q770-W821 HydrophobicContact CB-CD2 4.27Å; Q770-W821 HydrophobicContact CB-CE3 4.1Å; Q770-W821 HydrophobicContact CB-CH2 4.15Å; Q770-W821 HydrophobicContact CB-CZ2 4.29Å; Q770-W821 HydrophobicContact CB-CZ3 4.05Å; Q770-W821 HydrophobicContact CG-CD2 4.41Å; Q770-W821 HydrophobicContact CG-CZ2 4.48Å; W821-D840 HydrophobicContact CB-CB 4.03Å; W821-D840 WeakPolarHBondContact O-CB 3.31Å; W821-D840 PolarHBondContact O-N 2.97Å
822	I	96	Very high	90.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.2	177.2	-58.3	87.6	0	0	0	107.3	L696 K768 V769 A771 L814 V816 D820 L824 A837	L696-I822 HydrophobicContact CD1-CB 4.13Å; L696-I822 HydrophobicContact CD1-CD1 3.75Å; L696-I822 HydrophobicContact CD1-CG1 4Å; L696-I822 HydrophobicContact CD1-CG2 4.44Å; K768-I822 WeakPolarHBondContact CA-O 3.36Å; V769-I822 HydrophobicContact CG1-CB 4.05Å; V769-I822 PolarHBondContact N-O 3.21Å; V769-I822 PolarHBondContact O-N 3.49Å; A771-I822 HydrophobicContact CB-CD1 3.75Å; L814-I822 HydrophobicContact CD2-CG1 4.28Å; L814-I822 HydrophobicContact CD2-CG2 4.09Å; V816-I822 HydrophobicContact CG1-CD1 4.02Å; V816-I822 HydrophobicContact CG1-CG1 3.94Å; D820-I822 HydrophobicContact CB-CD1 4.37Å; D820-I822 WeakPolarHBondContact O-CD1 3.41Å; I822-L824 HydrophobicContact CG2-CD2 4.09Å; I822-A837 HydrophobicContact CG2-CB 4.1Å
823	R	96.3	Very high	90.6	Very high	74 Å²	74	49.2 Å²	49.2	28%	0.279	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.6	173.2	-166.7	176.9	-60.3	-169.9	10.4	109.2	E766 A837 H838 D840	E766-R823 WeakPolarHBondContact OE2-CD 3.48Å; E766-R823 IonicContact OE2-NH1 3.21Å; E766-R823 PolarHBondContact OE2-NH1 3.32Å; R823-A837 WeakPolarHBondContact O-CA 3.47Å; R823-H838 PolarHBondContact N-O 2.87Å; R823-H838 PolarHBondContact O-N 3.5Å; R823-D840 HydrophobicContact CB-CB 4.44Å; R823-D840 IonicContact CZ-OD1 3.66Å; R823-D840 IonicContact CZ-OD2 3.73Å; R823-D840 IonicContact NE-OD1 3.33Å; R823-D840 IonicContact NE-OD2 3.36Å; R823-D840 PolarHBondContact NE-OD2 3.44Å; R823-D840 VanDerWaalsContact NH2-CG 3.32Å; R823-D840 IonicContact NH2-OD1 2.81Å; R823-D840 PolarHBondContact NH2-OD1 2.66Å; R823-D840 IonicContact NH2-OD2 3.1Å; R823-D840 PolarHBondContact NH2-OD2 3.5Å; R823-D840 VanDerWaalsContact NH2-OD2 3.1Å
824	L	95.8	Very high	90.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.3	174	-59.1	-177.1	0	0	0	109	L696 L748 L750 E766 V767 V769 V780 I822 V826 I835 S836 A837	L696-L824 HydrophobicContact CD2-CD1 4.2Å; L696-L824 HydrophobicContact CD2-CD2 4.04Å; L748-L824 HydrophobicContact CD1-CD1 4.29Å; L748-L824 HydrophobicContact CD2-CD1 4.45Å; L750-L824 HydrophobicContact CD2-CD1 3.94Å; E766-L824 CarbonylContact C-O 3.41Å; E766-L824 WeakPolarHBondContact CA-O 3.32Å; V767-L824 PolarHBondContact N-O 3.1Å; V767-L824 PolarHBondContact O-N 3.05Å; V769-L824 HydrophobicContact CG1-CD1 4.02Å; V769-L824 HydrophobicContact CG1-CG 4.11Å; V780-L824 HydrophobicContact CG1-CD1 4.46Å; V780-L824 HydrophobicContact CG2-CD2 4.33Å; I822-L824 HydrophobicContact CG2-CD2 4.09Å; L824-V826 HydrophobicContact CB-CG2 4.29Å; L824-I835 HydrophobicContact CB-CG2 4.35Å; L824-I835 HydrophobicContact CD2-CG2 4.2Å; L824-S836 CarbonylContact C-O 3.56Å; L824-S836 VanDerWaalsContact CA-O 3.3Å; L824-S836 WeakPolarHBondContact CA-O 3.37Å; L824-A837 HydrophobicContact CD2-CB 3.54Å
825	A	93.8	Very high	90.3	Very high	11 Å²	11	48.8 Å²	48.8	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.5	166.4	0	0	0	0	0	108.2	I835 S836	A825-I835 WeakPolarHBondContact O-CA 3.49Å; A825-S836 PolarHBondContact N-O 2.8Å; A825-S836 PolarHBondContact O-N 3.33Å
826	V	93.7	Very high	90	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.6	-177.1	-173.4	0	0	0	0	108.5	L750 F751 E764 R765 L824 I833 S834 I835	L750-V826 HydrophobicContact CB-CG1 4.42Å; L750-V826 HydrophobicContact CB-CG2 4.25Å; L750-V826 HydrophobicContact CD2-CG2 4.07Å; F751-V826 HydrophobicContact CD1-CG1 3.68Å; F751-V826 HydrophobicContact CE1-CG1 3.92Å; E764-V826 CarbonylContact C-O 3.49Å; E764-V826 WeakPolarHBondContact CA-O 3.33Å; R765-V826 PolarHBondContact N-O 3.47Å; R765-V826 PolarHBondContact O-N 2.88Å; L824-V826 HydrophobicContact CB-CG2 4.29Å; V826-I833 HydrophobicContact CG1-CG2 4.06Å; V826-S834 WeakPolarHBondContact CA-O 3.33Å; V826-I835 HydrophobicContact CG1-CG1 4.28Å; V826-I835 HydrophobicContact CG2-CG1 4.39Å; V826-I835 HydrophobicContact CG2-CG2 4.4Å
827	R	90	Very high	89.9	Confident	106 Å²	106	46 Å²	46	40%	0.4	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.4	177.3	-61.8	175.3	-174	155.9	4.3	110.7	I763 E764 I833 S834	I763-R827 CarbonylContact O-C 3.34Å; I763-R827 VanDerWaalsContact O-CA 3.3Å; I763-R827 WeakPolarHBondContact O-CA 3.39Å; E764-R827 HydrophobicContact CB-CG 4.06Å; E764-R827 HydrophobicContact CG-CG 3.78Å; E764-R827 IonicContact OE1-CZ 3.26Å; E764-R827 VanDerWaalsContact OE1-CZ 3.3Å; E764-R827 IonicContact OE1-NE 3.04Å; E764-R827 PolarHBondContact OE1-NE 2.95Å; E764-R827 IonicContact OE1-NH2 3.01Å; E764-R827 PolarHBondContact OE1-NH2 3.16Å; E764-R827 IonicContact OE2-NE 3.89Å; R827-I833 CarbonylContact O-C 3.54Å; R827-I833 WeakPolarHBondContact O-CA 3.45Å; R827-S834 PolarHBondContact N-O 3.17Å; R827-S834 PolarHBondContact O-N 2.7Å
828	L	85.3	Confident	89.8	Confident	19 Å²	19	46 Å²	46	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.9	168.5	178	66.2	0	0	0	108.5	F751 L753 I763 T832 I833	F751-L828 HydrophobicContact CE2-CD2 4.05Å; F751-L828 HydrophobicContact CZ-CB 4.45Å; F751-L828 HydrophobicContact CZ-CD2 4.46Å; L753-L828 HydrophobicContact CD1-CD2 4Å; L753-L828 HydrophobicContact CD2-CD2 3.7Å; L753-L828 HydrophobicContact CG-CD2 4.43Å; I763-L828 WeakPolarHBondContact CG2-O 3.39Å; I763-L828 PolarHBondContact O-N 3.37Å; L828-T832 WeakPolarHBondContact CA-O 3.47Å; L828-I833 HydrophobicContact CD1-CG1 3.98Å
829	H	77.4	Confident	89.6	Confident	71 Å²	71	45.5 Å²	45.5	33%	0.329	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.6	170.8	-171.1	81	0	0	0	108.9	E142 S831 T832	E142-H829 IonicContact OE2-CD2 3.81Å; E142-H829 PolarHBondContact OE2-CD2 2.95Å; E142-H829 IonicContact OE2-CG 3.5Å; H829-S831 PolarHBondContact O-N 3.33Å; H829-T832 PolarHBondContact N-O 3.11Å; H829-T832 PolarHBondContact O-N 3.39Å
830	K	75	Confident	89.1	Confident	122 Å²	122	45.4 Å²	45.4	53%	0.53	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-96.8	-170.6	-62	177.4	179.5	179	0	111.4	E112	E112-K830 IonicContact OE1-NZ 3.65Å; E112-K830 PolarHBondContact OE1-NZ 2.99Å
831	S	75.3	Confident	87.7	Confident	11 Å²	11	49.5 Å²	49.5	8%	0.077	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-9.9	179.7	46.2	0	0	0	0	113.8	V664 Q666 H829	V664-S831 WeakPolarHBondContact O-CB 3.47Å; Q666-S831 WeakPolarHBondContact CG-OG 3.25Å; H829-S831 PolarHBondContact O-N 3.33Å
832	T	79.9	Confident	85.3	Confident	30 Å²	30	46.7 Å²	46.7	18%	0.184	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.8	-169.8	-53	0	0	0	0	110.9	E142 L828 H829	E142-T832 HydrophobicContact CG-CG2 4.47Å; E142-T832 WeakPolarHBondContact OE1-CB 3.31Å; E142-T832 PolarHBondContact OE1-OG1 2.65Å; L828-T832 WeakPolarHBondContact CA-O 3.47Å; H829-T832 PolarHBondContact N-O 3.11Å; H829-T832 PolarHBondContact O-N 3.39Å
833	I	87.7	Confident	82.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.3	173.1	-60.8	168.7	0	0	0	108.1	V664 V692 V730 F751 F782 Y784 V826 R827 L828 I835	V664-I833 HydrophobicContact CG2-CD1 4.18Å; V692-I833 HydrophobicContact CG1-CD1 4.2Å; V730-I833 VanDerWaalsContact CG2-O 3.23Å; V730-I833 WeakPolarHBondContact CG2-O 3.33Å; F751-I833 HydrophobicContact CE1-CD1 3.78Å; F751-I833 HydrophobicContact CE1-CG1 3.98Å; F751-I833 HydrophobicContact CE1-CG2 4.14Å; F751-I833 HydrophobicContact CZ-CD1 3.61Å; F751-I833 HydrophobicContact CZ-CG1 3.79Å; F782-I833 HydrophobicContact CD2-CD1 4.05Å; F782-I833 HydrophobicContact CE2-CB 4.48Å; F782-I833 HydrophobicContact CE2-CD1 3.72Å; F782-I833 HydrophobicContact CZ-CB 4.2Å; F782-I833 HydrophobicContact CZ-CD1 4.29Å; Y784-I833 HydrophobicContact CE1-CD1 4.19Å; V826-I833 HydrophobicContact CG1-CG2 4.06Å; R827-I833 CarbonylContact O-C 3.54Å; R827-I833 WeakPolarHBondContact O-CA 3.45Å; L828-I833 HydrophobicContact CD1-CG1 3.98Å; I833-I835 HydrophobicContact CG2-CD1 4.28Å; I833-I835 HydrophobicContact CG2-CG1 3.99Å
834	S	87.6	Confident	79.9	Confident	53 Å²	53	54.8 Å²	54.8	37%	0.371	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.3	169.6	61.1	0	0	0	0	110.1	V826 R827	V826-S834 WeakPolarHBondContact CA-O 3.33Å; R827-S834 PolarHBondContact N-O 3.17Å; R827-S834 PolarHBondContact O-N 2.7Å
835	I	92.4	Very high	76.8	Confident	18 Å²	18	62.9 Å²	62.9	9%	0.092	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.8	-178.7	-52.3	178.1	0	0	0	107.7	L750 V780 F782 A808 L824 A825 V826 I833	L750-I835 HydrophobicContact CD1-CD1 3.71Å; V780-I835 HydrophobicContact CB-CD1 4.12Å; V780-I835 HydrophobicContact CB-CG2 4.37Å; V780-I835 HydrophobicContact CG1-CD1 3.86Å; V780-I835 HydrophobicContact CG2-CG2 4.2Å; F782-I835 HydrophobicContact CD1-CD1 4.15Å; A808-I835 HydrophobicContact CB-CB 3.73Å; A808-I835 HydrophobicContact CB-CD1 3.97Å; A808-I835 HydrophobicContact CB-CG1 3.96Å; L824-I835 HydrophobicContact CB-CG2 4.35Å; L824-I835 HydrophobicContact CD2-CG2 4.2Å; A825-I835 WeakPolarHBondContact O-CA 3.49Å; V826-I835 HydrophobicContact CG1-CG1 4.28Å; V826-I835 HydrophobicContact CG2-CG1 4.39Å; V826-I835 HydrophobicContact CG2-CG2 4.4Å; I833-I835 HydrophobicContact CG2-CD1 4.28Å; I833-I835 HydrophobicContact CG2-CG1 3.99Å
836	S	91.2	Very high	74.1	Confident	44 Å²	44	70.5 Å²	70.5	31%	0.308	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.1	167.9	55.5	0	0	0	0	109.5	L824 A825	L824-S836 CarbonylContact C-O 3.56Å; L824-S836 VanDerWaalsContact CA-O 3.3Å; L824-S836 WeakPolarHBondContact CA-O 3.37Å; A825-S836 PolarHBondContact N-O 2.8Å; A825-S836 PolarHBondContact O-N 3.33Å
837	A	92.9	Very high	71.2	Confident	13 Å²	13	81 Å²	81	11%	0.107	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.4	-174.3	0	0	0	0	0	110.8	L810 I822 R823 L824	L810-A837 HydrophobicContact CD1-CB 3.85Å; L810-A837 HydrophobicContact CD2-CB 4.15Å; I822-A837 HydrophobicContact CG2-CB 4.1Å; R823-A837 WeakPolarHBondContact O-CA 3.47Å; L824-A837 HydrophobicContact CD2-CB 3.54Å
838	H	93.3	Very high	70.2	Confident	120 Å²	120	79.8 Å²	79.8	56%	0.556	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	143	176.7	-57.6	-70.4	0	0	0	110.7	R823 D840	R823-H838 PolarHBondContact N-O 2.87Å; R823-H838 PolarHBondContact O-N 3.5Å; H838-D840 PolarHBondContact O-N 3.33Å
839	L	91.2	Very high	69.5	Low	53 Å²	53	83 Å²	83	28%	0.277	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	125.4	169.9	-85.3	165.9	0	0	0	109.5	L814 V816 D820 N841	L814-L839 HydrophobicContact CD1-CD1 3.98Å; L814-L839 HydrophobicContact CD1-CG 3.88Å; L814-L839 HydrophobicContact CD2-CG 4.02Å; L814-L839 HydrophobicContact CG-CD1 4.47Å; L814-L839 HydrophobicContact CG-CG 4.09Å; V816-L839 HydrophobicContact CG1-CD2 4.19Å; D820-L839 HydrophobicContact CB-CD2 4.05Å; L839-N841 PolarHBondContact O-N 3.31Å
840	D	84.8	Confident	69	Low	31 Å²	31	83.7 Å²	83.7	17%	0.166	46%	0.461	C	S	.	.			trans	-84.2	70.4	176.4	-158.6	5.9	0	0	0	109.4	K768 W821 R823 H838 A842	K768-D840 WeakPolarHBondContact CD-OD2 3.25Å; K768-D840 WeakPolarHBondContact CE-OD2 3.49Å; K768-D840 IonicContact NZ-OD2 3.4Å; K768-D840 PolarHBondContact NZ-OD2 3.28Å; W821-D840 HydrophobicContact CB-CB 4.03Å; W821-D840 WeakPolarHBondContact O-CB 3.31Å; W821-D840 PolarHBondContact O-N 2.97Å; R823-D840 HydrophobicContact CB-CB 4.44Å; R823-D840 IonicContact CZ-OD1 3.66Å; R823-D840 IonicContact CZ-OD2 3.73Å; R823-D840 IonicContact NE-OD1 3.33Å; R823-D840 IonicContact NE-OD2 3.36Å; R823-D840 PolarHBondContact NE-OD2 3.44Å; R823-D840 VanDerWaalsContact NH2-CG 3.32Å; R823-D840 IonicContact NH2-OD1 2.81Å; R823-D840 PolarHBondContact NH2-OD1 2.66Å; R823-D840 IonicContact NH2-OD2 3.1Å; R823-D840 PolarHBondContact NH2-OD2 3.5Å; R823-D840 VanDerWaalsContact NH2-OD2 3.1Å; H838-D840 PolarHBondContact O-N 3.33Å; D840-A842 VanDerWaalsContact C-N 3.3Å; D840-A842 PolarHBondContact O-N 2.87Å
841	N	65.7	Low	68.7	Low	137 Å²	137	81.4 Å²	81.4	73%	0.733	46%	0.457	S	S	*	.			trans	-77.9	78.5	175.7	-72.5	-26	0	0	0	110.1	L839	L839-N841 PolarHBondContact O-N 3.31Å
842	A	46.5	Very low	68.2	Low	64 Å²	64	85.8 Å²	85.8	53%	0.529	48%	0.481	S	S	.	.			trans	-132	110.9	165.4	0	0	0	0	0	110.8	D840 V844	D840-A842 VanDerWaalsContact C-N 3.3Å; D840-A842 PolarHBondContact O-N 2.87Å; A842-V844 PolarHBondContact O-N 2.84Å
843	P	41.2	Very low	67.5	Low	120 Å²	120	89.5 Å²	89.5	78%	0.779	50%	0.501	S	S	*	.			trans	-66	117.5	151.4	28.2	-26.8	0	0	0	106.5	Q845	P843-Q845 PolarHBondContact O-N 3.37Å
844	V	36.3	Very low	66	Low	124 Å²	124	95.9 Å²	95.9	75%	0.752	54%	0.536	S	S	*	.			trans	-64.8	95.6	162.4	179.9	0	0	0	0	105.9	A842 M846	A842-V844 PolarHBondContact O-N 2.84Å; V844-M846 VanDerWaalsContact C-N 3.27Å; V844-M846 HydrophobicContact CG1-CG 4.09Å; V844-M846 PolarHBondContact O-N 3.02Å
845	Q	32.4	Very low	64.4	Low	171 Å²	171	99.2 Å²	99.2	80%	0.799	55%	0.549	S	S	*	.			trans	-65.4	98.6	157.5	-90.8	-178	-31.5	0	0	106.1	P843 D847	P843-Q845 PolarHBondContact O-N 3.37Å; Q845-D847 PolarHBondContact O-N 3.07Å
846	M	35.8	Very low	62	Low	170 Å²	170	106 Å²	106	84%	0.837	59%	0.587	S	S	*	*			trans	-71.4	108.8	154.1	-67.6	-169.8	-167	0	0	106.3	V844	V844-M846 VanDerWaalsContact C-N 3.27Å; V844-M846 HydrophobicContact CG1-CG 4.09Å; V844-M846 PolarHBondContact O-N 3.02Å
847	D	33	Very low	59.4	Low	225 Å²	225	111.6 Å²	111.6	100%	1.203	61%	0.613	S	S	*	*			trans	-117.8	0	152.6	-87.4	-19.1	0	0	0	108.4	Q845	Q845-D847 PolarHBondContact O-N 3.07Å

Retrieved 847 of 847 residues in 182.4 ms (Link to these results)

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