A0A087XI25_POEFO Loading...

Protein argonaute-2

Required for RNA-mediated gene silencing (RNAi) by the RNA-induced silencing complex (RISC). The 'minimal RISC' appears to include ago2 bound to a short guide RNA such as a microRNA (miRNA) or short interfering RNA (siRNA). These guide RNAs direct RISC to complementary mRNAs that are targets for RISC-mediated gene silencing. The precise mechanism of gene silencing depends on the degree of complementarity between the miRNA or siRNA and its target. Binding of RISC to a perfectly complementary mRNA generally results in silencing due to endonucleolytic cleavage of the mRNA specifically by ago2. Binding of RISC to a partially complementary mRNA results in silencing through inhibition of translation, and this is independent of endonuclease activity. The inhibition of translational initiation leads to the accumulation of the affected mRNA in cytoplasmic processing bodies (P-bodies), where mRNA degradation may subsequently occur.

AlphaFold DB (A0A3B3TXD3), UniProt , Accession A0A087XI25, Species POEFO (Poecilia formosa, Amazon molly), Gene AGO2, Length 868 aa.

						>A0A087XI25_POEFO|A0A087XI25|AGO2
MYSAGAAEAPEGPRSSGSMSSDPPSPLPEYVFKPPPRPDFGTMGRTIKLQANFFEMEIPRLEVYHYDIDIKPEKCPRRVNREIVEHMVQHFKTQIFGDRKPVYDGRKNLYTAMPLPIGRDKVELEVTIPGEGKDRSFKVAIKWVSCVSLQALHEALSGRLPSVPFETIQALDVVMRHLPSMRYTPVGRSFFTPSEGCSNPLGGGREVWFGFHQSVRPSLWKMMLNIDVSATAFYKAQPVIEFMCEVLDFKSIEEQQKPLTDSQRVKFTKEIKGLKVEITHCGQMKRKYRVCNVTRRPASHQTFPLQQESGQTIECTVAQYFKDKYKLILRYPHLPCLQVGQEQKHTYLPLEVCNIVAGQRCIKKLTDNQTSTMIRATARSAPDRQDEISKLMRSANFNTDPYVREFGVVVRDEMTEVNGRVLQAPSILYGGRNKAIATPIQGVWDMRNKQFHTGIEIKVWAIACFAPQRQCTELLLKAFTDQLRKISRDAGMPIQGQPCFCKYAQGADSVEPMFRHLKYSYQGLQLVVVILPGKTPVYAEVKRVGDTVLGMATQCVQVKNVQKTTPQTLSNLCLKINVKLGGVNNILLPQGRPLVFQQPVIFLGSDVTHPPAGDGKKPSIAAVVGSMDAHPSRYCATVRVQQHRQDIIQDLANMVRELLIQFYKSTRFKPTRIIYYRDGISEGQFSQVLQHELLAIREACIKLEKDYQPGITFVVVQKRHHTRLFCVDRNERVGKSGNIPAGTTVDTKITHPSEFDFYLCSHAGIQGTSRPSHYHVLWDDNHFTSDELQVLTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVDKEHDSAEGSHTSGQSNGRDHQALAKAVQIHQDTLRTMYFA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	31.1	Very low	228 Å²	228	140.6 Å²	140.6	100%	1.123	85%	0.854	S	S	*	*				0	90.1	0	-74.1	175.8	-174.5	0	0	106.5
2	Y	29.3	Very low	31	Very low	231 Å²	231	134.6 Å²	134.6	91%	0.906	84%	0.841	S	S	*	*				68.5	110.6	108.9	-72.6	-71	0	0	0	110.3
3	S	31.5	Very low	32.4	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	83%	0.833	S	S	*	*			cis	-163.5	129.8	43.7	-172.4	0	0	0	0	107.7
4	A	30.1	Very low	32	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	84%	0.836	S	S	*	*				52	126.2	71	0	0	0	0	0	113.1
5	G	29.1	Very low	31.8	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	83%	0.829	S	S	*	*			cis	-163.2	-166.1	4.1	0	0	0	0	0	107.5
6	A	30.8	Very low	32.2	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	83%	0.832	S	S	*	*			cis	-161.1	133.1	0.7	0	0	0	0	0	105.5
7	A	29.7	Very low	31.9	Very low	93 Å²	93	133.1 Å²	133.1	77%	0.769	83%	0.827	S	S	*	*				77.1	111	105.1	0	0	0	0	0	115.5
8	E	27.7	Very low	31.8	Very low	201 Å²	201	132.3 Å²	132.3	94%	0.939	83%	0.827	S	S	*	*				-174.3	138.7	119.5	-102.3	176.7	-174.5	0	0	111.4
9	A	27.2	Very low	31.6	Very low	92 Å²	92	135.3 Å²	135.3	76%	0.76	83%	0.833	S	S	*	*			trans	-149.9	165.7	170.2	0	0	0	0	0	106.5
10	P	42.5	Very low	31.6	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	83%	0.828	S	S	*	*			cis	-131.5	158.5	-34	34.4	-18.1	0	0	0	112.1
11	E	29.1	Very low	31.6	Very low	201 Å²	201	133 Å²	133	94%	0.939	83%	0.827	S	S	*	*			trans	-135.2	119.8	154.1	-79.1	-167.9	160.4	0	0	109.3
12	G	29.3	Very low	31.5	Very low	68 Å²	68	129 Å²	129	70%	0.701	81%	0.811	S	S	*	*			trans	-89.2	-165.3	162.4	0	0	0	0	0	110.5
13	P	48.8	Very low	31.8	Very low	113 Å²	113	123.2 Å²	123.2	73%	0.734	80%	0.801	S	S	*	*			cis	-127.8	165.6	-18.6	34.8	-18.3	0	0	0	112
14	R	27.3	Very low	32	Very low	233 Å²	233	123.9 Å²	123.9	88%	0.879	80%	0.803	S	S	*	*				156.7	150	129.8	-85.3	166.4	-178.2	-166.7	1.8	115
15	S	29	Very low	32.2	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	80%	0.801	S	S	*	*			trans	72.2	96.5	153.9	59.3	0	0	0	0	120.1
16	S	38.2	Very low	32.7	Very low	126 Å²	126	126.6 Å²	126.6	88%	0.881	80%	0.8	S	S	*	*			trans	9.9	106.8	130.3	56.7	0	0	0	0	117.9
17	G	27.7	Very low	33	Very low	72 Å²	72	129.3 Å²	129.3	74%	0.742	80%	0.8	S	S	*	*			trans	-135.1	117	160.4	0	0	0	0	0	109.5	M19	G17-M19 PolarHBondContact O-N 3.47Å
18	S	29.6	Very low	33.5	Very low	119 Å²	119	130 Å²	130	83%	0.832	80%	0.797	S	S	*	*			trans	-65.9	118	177.9	53.7	0	0	0	0	111.3	S20	S18-S20 PolarHBondContact O-N 3.41Å
19	M	28.8	Very low	34.7	Very low	190 Å²	190	128.6 Å²	128.6	94%	0.936	79%	0.79	S	S	*	*			trans	-81.3	113.2	164.4	-80.9	-172.8	164.9	0	0	109.5	G17 S21	G17-M19 PolarHBondContact O-N 3.47Å; M19-S21 PolarHBondContact O-N 3.39Å
20	S	30.4	Very low	36.4	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	79%	0.789	S	S	*	*			trans	-63.7	113.4	167.4	47.6	0	0	0	0	110	S18 D22	S18-S20 PolarHBondContact O-N 3.41Å; S20-D22 PolarHBondContact O-N 3.34Å
21	S	32.7	Very low	38	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	78%	0.78	S	S	*	*			trans	-75.5	109.2	164.2	56.3	0	0	0	0	108.7	M19	M19-S21 PolarHBondContact O-N 3.39Å
22	D	31.9	Very low	40.8	Very low	146 Å²	146	123.6 Å²	123.6	78%	0.781	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-57.9	135.7	167.2	-80.8	-37.2	0	0	0	109.8	S20	S20-D22 PolarHBondContact O-N 3.34Å
23	P	35.6	Very low	43.7	Very low	108 Å²	108	127.9 Å²	127.9	70%	0.701	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-66.4	144.1	176.9	27	-31.8	0	0	0	109.9	S25	P23-S25 PolarHBondContact O-N 3.21Å
24	P	36.2	Very low	45.9	Very low	124 Å²	124	124.3 Å²	124.3	81%	0.805	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.6	127.2	177.1	22.5	-27.5	0	0	0	109.1
25	S	34.5	Very low	49.1	Very low	107 Å²	107	114.5 Å²	114.5	75%	0.748	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-48.3	131	172.3	44	0	0	0	0	110.5	P23 L27	P23-S25 PolarHBondContact O-N 3.21Å; S25-L27 PolarHBondContact O-N 2.72Å
26	P	40	Very low	52.3	Low	125 Å²	125	114.4 Å²	114.4	81%	0.812	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-62.2	129.9	-178.7	16.3	-20.5	0	0	0	110.1
27	L	36.5	Very low	55.1	Low	155 Å²	155	109.8 Å²	109.8	81%	0.812	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-49.5	140.9	166.3	-72.7	160.8	0	0	0	108.7	S25 E29	S25-L27 PolarHBondContact O-N 2.72Å; L27-E29 PolarHBondContact O-N 2.87Å
28	P	40.3	Very low	58.4	Low	106 Å²	106	109.7 Å²	109.7	69%	0.688	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-56.1	118	177.9	21.3	-30.4	0	0	0	109.3	Y30	P28-Y30 PolarHBondContact O-N 3.45Å
29	E	53.5	Low	61.7	Low	173 Å²	173	106.8 Å²	106.8	81%	0.808	60%	0.604	S	S	*	*			trans	-60.8	102.1	174	-83.3	-175.3	152	0	0	108.1	L27 V31	L27-E29 PolarHBondContact O-N 2.87Å; E29-V31 PolarHBondContact O-N 3.01Å
30	Y	62.8	Low	65	Low	188 Å²	188	102.3 Å²	102.3	74%	0.737	58%	0.58	S	S	*	*			trans	-61.8	106.7	167.4	-92	-91.8	0	0	0	107.9	P28 Q690	P28-Y30 PolarHBondContact O-N 3.45Å; Y30-Q690 PolarHBondContact O-NE2 3.26Å; Y30-Q690 PolarHBondContact O-OE1 3.47Å
31	V	75.3	Confident	68.2	Low	96 Å²	96	97.7 Å²	97.7	58%	0.582	55%	0.549	S	S	*	.			trans	-83.9	111.7	174.8	-179.1	0	0	0	0	108.5	E29 K33	E29-V31 PolarHBondContact O-N 3.01Å; V31-K33 PolarHBondContact O-N 3.39Å
32	F	88.1	Confident	71.3	Confident	22 Å²	22	97.7 Å²	97.7	10%	0.096	55%	0.545	C	S	.	.			trans	-71.5	129.3	173.3	-57.2	-65.2	0	0	0	110.3	L689 L693 L694 W778	F32-L689 HydrophobicContact CB-CD2 3.77Å; F32-L689 HydrophobicContact CB-CG 4.16Å; F32-L693 HydrophobicContact CD1-CD2 3.93Å; F32-L693 HydrophobicContact CD2-CD2 4.1Å; F32-L693 HydrophobicContact CE1-CD2 4.19Å; F32-L693 HydrophobicContact CE2-CD2 4.37Å; F32-L693 HydrophobicContact CG-CD2 3.9Å; F32-L693 HydrophobicContact CZ-CD2 4.41Å; F32-L694 HydrophobicContact CE2-CD1 4.25Å; F32-L694 HydrophobicContact CE2-CD2 3.84Å; F32-L694 HydrophobicContact CE2-CG 3.79Å; F32-L694 HydrophobicContact CZ-CD2 3.7Å; F32-L694 HydrophobicContact CZ-CG 4.18Å; F32-W778 HydrophobicContact CB-CE3 4.17Å; F32-W778 HydrophobicContact CB-CZ3 4.02Å; F32-W778 HydrophobicContact CD1-CE3 4.29Å; F32-W778 AromaticContact CD1-CH2 3.92Å; F32-W778 HydrophobicContact CD1-CH2 3.92Å; F32-W778 AromaticContact CD1-CZ3 3.75Å; F32-W778 HydrophobicContact CD1-CZ3 3.75Å; F32-W778 HydrophobicContact CG-CZ3 4.31Å
33	K	90.9	Very high	74.4	Confident	158 Å²	158	95.6 Å²	95.6	69%	0.687	53%	0.531	S	S	*	.			trans	-107.8	140.8	174.3	-65.9	-175.7	-179	179.5	0	109.8	V31	V31-K33 PolarHBondContact O-N 3.39Å
34	P	94.3	Very high	77.4	Confident	39 Å²	39	92.2 Å²	92.2	25%	0.253	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-55.8	144.7	169.8	-25.6	35.8	0	0	0	112	E754 L777	P34-E754 HydrophobicContact CB-CG 4.13Å; P34-L777 WeakPolarHBondContact CA-O 3.5Å; P34-L777 HydrophobicContact CG-CD2 4.1Å
35	P	95.8	Very high	80.3	Confident	27 Å²	27	91.9 Å²	91.9	18%	0.175	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-66.6	146.8	176.2	28.3	-34.7	0	0	0	110.9	F755 V776 D779	P35-F755 PolarHBondContact O-N 3.01Å; P35-V776 WeakPolarHBondContact CD-O 3.38Å; P35-V776 HydrophobicContact CG-CB 4.42Å; P35-V776 HydrophobicContact CG-CG1 3.9Å; P35-D779 HydrophobicContact CG-CB 4.23Å
36	P	95.5	Very high	83.4	Confident	100 Å²	100	92 Å²	92	65%	0.649	50%	0.495	S	S	*	.	B	Isolated β-bridge	trans	-63.1	155	167.8	30.4	-34.7	0	0	0	109.7	P38 S753	P36-P38 WeakPolarHBondContact O-CD 3.29Å; P36-S753 CarbonylContact C-O 3.56Å; P36-S753 WeakPolarHBondContact CA-O 3.07Å
37	R	96.8	Very high	86.1	Confident	29 Å²	29	86.2 Å²	86.2	11%	0.109	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-56.7	121.8	170.4	-174.2	-174.5	-53.3	-74	-6.2	109.4	D39 D746 H751 S753 E754 F755 D756	R37-D39 VanDerWaalsContact CD-O 3.29Å; R37-D39 WeakPolarHBondContact CD-O 3.47Å; R37-D39 WeakPolarHBondContact CG-O 3.28Å; R37-D746 PolarHBondContact NH1-O 2.88Å; R37-H751 PolarHBondContact NH2-O 3.37Å; R37-S753 PolarHBondContact N-O 2.93Å; R37-E754 PolarHBondContact NH2-O 2.98Å; R37-F755 HydrophobicContact CG-CD1 4.38Å; R37-D756 IonicContact CZ-OD1 2.74Å; R37-D756 PolarHBondContact NH1-O 2.83Å; R37-D756 IonicContact NH1-OD1 2.59Å; R37-D756 IonicContact NH2-OD1 3.87Å; R37-D756 PolarHBondContact NH2-OD1 2.76Å
38	P	97.5	Very high	89.1	Confident	71 Å²	71	84.4 Å²	84.4	46%	0.461	44%	0.443	S	S	.	.			trans	-72.3	-38	-175.2	26.5	-32.5	0	0	0	112.1	P36 F755 F783	P36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-F755 HydrophobicContact CG-CD2 4.02Å; P38-F755 HydrophobicContact CG-CE1 4.41Å; P38-F755 HydrophobicContact CG-CE2 3.75Å; P38-F755 HydrophobicContact CG-CG 4.47Å; P38-F755 HydrophobicContact CG-CZ 3.97Å; P38-F783 VanDerWaalsContact CG-O 3.29Å; P38-F783 WeakPolarHBondContact CG-O 3.47Å
39	D	98.1	Very high	91.9	Very high	57 Å²	57	79.4 Å²	79.4	31%	0.305	41%	0.41	S	S	.	.			trans	-166.6	-170.8	-175.3	53.7	22.6	0	0	0	109.8	R37 T784 S785	R37-D39 VanDerWaalsContact CD-O 3.29Å; R37-D39 WeakPolarHBondContact CD-O 3.47Å; R37-D39 WeakPolarHBondContact CG-O 3.28Å; D39-T784 VanDerWaalsContact OD2-CB 3.23Å; D39-T784 WeakPolarHBondContact OD2-CB 3.3Å; D39-T784 WeakPolarHBondContact OD2-CG2 3.49Å; D39-S785 PolarHBondContact O-OG 2.81Å; D39-S785 WeakPolarHBondContact OD1-CA 3.44Å; D39-S785 WeakPolarHBondContact OD1-CB 3.48Å; D39-S785 PolarHBondContact OD1-N 3.12Å; D39-S785 PolarHBondContact OD1-OG 2.92Å
40	F	98.2	Very high	94	Very high	97 Å²	97	73.3 Å²	73.3	43%	0.425	38%	0.382	S	S	.	.			trans	-116.8	141	168.7	-66.7	-79.9	0	0	0	109.4	L219 D746 T747	F40-L219 HydrophobicContact CE1-CD1 3.7Å; F40-L219 HydrophobicContact CZ-CD1 3.99Å; F40-L219 HydrophobicContact CZ-CD2 4.27Å; F40-D746 WeakPolarHBondContact CD1-O 3.33Å; F40-D746 WeakPolarHBondContact CE1-O 3.16Å; F40-T747 HydrophobicContact CD1-CG2 3.63Å; F40-T747 HydrophobicContact CE1-CG2 4Å; F40-T747 HydrophobicContact CG-CG2 4.34Å
41	G	97.8	Very high	95.7	Very high	10 Å²	10	64.3 Å²	64.3	10%	0.103	35%	0.346	C	S	.	.			trans	-67.1	144.7	-179.7	0	0	0	0	0	112	R420 D746 D786	G41-R420 WeakPolarHBondContact O-CD 3.19Å; G41-R420 PolarHBondContact O-NE 2.98Å; G41-D746 PolarHBondContact N-OD2 3.48Å; G41-D786 WeakPolarHBondContact CA-OD1 3.3Å
42	T	98.1	Very high	96.8	Very high	114 Å²	114	59.8 Å²	59.8	70%	0.699	32%	0.319	S	S	*	.			trans	-119.6	-18.5	-176.2	66.2	0	0	0	0	112.2	D786	T42-D786 PolarHBondContact N-OD1 2.9Å; T42-D786 PolarHBondContact N-OD2 3.43Å; T42-D786 PolarHBondContact OG1-OD2 2.94Å
43	M	97.6	Very high	97.3	Very high	102 Å²	102	58.7 Å²	58.7	50%	0.502	31%	0.314	S	S	.	.			trans	-75	144.9	-177.9	-67.7	-172.8	78.8	0	0	112.5	R420 L422 D786 V790	M43-R420 WeakPolarHBondContact O-CD 3.09Å; M43-R420 PolarHBondContact O-NH1 2.98Å; M43-L422 HydrophobicContact CB-CD2 4.31Å; M43-L422 WeakPolarHBondContact O-CD2 3.3Å; M43-D786 WeakPolarHBondContact CB-OD1 3.41Å; M43-D786 HydrophobicContact CG-CB 4.09Å; M43-D786 PolarHBondContact N-OD1 2.85Å; M43-D786 PolarHBondContact N-OD2 3.2Å; M43-D786 HydrophobicContact SD-CB 4.14Å; M43-V790 HydrophobicContact SD-CG2 3.93Å
44	G	97.4	Very high	97.7	Very high	36 Å²	36	51.2 Å²	51.2	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	97.4	154.6	177.4	0	0	0	0	0	113.5	V421	G44-V421 VanDerWaalsContact CA-O 3.22Å; G44-V421 WeakPolarHBondContact CA-O 3.47Å
45	R	98	Very high	97.8	Very high	117 Å²	117	50.1 Å²	50.1	44%	0.442	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.9	177.9	66.2	176	-171.3	86.9	-9.5	110.4	R420 V421 E731	R45-R420 CarbonylContact O-C 3.45Å; R45-R420 VanDerWaalsContact O-CA 3.29Å; R45-R420 WeakPolarHBondContact O-CA 3.27Å; R45-V421 HydrophobicContact CG-CB 3.89Å; R45-V421 HydrophobicContact CG-CG2 4.34Å; R45-V421 PolarHBondContact N-O 2.65Å; R45-V421 PolarHBondContact O-N 3Å; R45-E731 IonicContact CZ-OE1 2.68Å; R45-E731 IonicContact CZ-OE2 3.12Å; R45-E731 IonicContact NH1-OE1 3.66Å; R45-E731 PolarHBondContact NH1-OE1 3.46Å; R45-E731 IonicContact NH1-OE2 3.13Å; R45-E731 PolarHBondContact NH1-OE2 3.43Å; R45-E731 IonicContact NH2-OE1 2.77Å; R45-E731 IonicContact NH2-OE2 3.07Å; R45-E731 PolarHBondContact NH2-OE2 2.98Å
46	T	98.2	Very high	97.9	Very high	110 Å²	110	49 Å²	49	68%	0.675	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	149.2	175.8	54.4	0	0	0	0	111.8	G419	T46-G419 CarbonylContact C-O 3.59Å; T46-G419 WeakPolarHBondContact CA-O 3.46Å
47	I	98.4	Very high	97.9	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.2	172.9	-177.4	170.8	0	0	0	109.6	L49 G419 V421 E731 P740 T743	I47-L49 HydrophobicContact CD1-CD2 4.01Å; I47-L49 HydrophobicContact CG1-CD2 3.93Å; I47-L49 HydrophobicContact CG2-CD1 4.31Å; I47-L49 HydrophobicContact CG2-CD2 4.21Å; I47-L49 HydrophobicContact CG2-CG 4.21Å; I47-G419 PolarHBondContact N-O 3.26Å; I47-G419 PolarHBondContact O-N 2.82Å; I47-V421 HydrophobicContact CB-CG2 4Å; I47-V421 HydrophobicContact CD1-CG2 4.24Å; I47-V421 HydrophobicContact CG2-CG2 3.65Å; I47-E731 HydrophobicContact CD1-CB 4.07Å; I47-E731 HydrophobicContact CD1-CG 4.22Å; I47-E731 HydrophobicContact CG1-CG 4.3Å; I47-P740 HydrophobicContact CD1-CG 3.8Å; I47-T743 HydrophobicContact CG2-CG2 4.22Å
48	K	98.6	Very high	97.8	Very high	118 Å²	118	48.8 Å²	48.8	51%	0.513	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.9	176.5	-67.7	-175.9	-179.4	-178.6	0	110.7	V727	K48-V727 HydrophobicContact CB-CB 3.91Å; K48-V727 HydrophobicContact CB-CG2 4.05Å; K48-V727 PolarHBondContact O-N 3.42Å; K48-V727 VanDerWaalsContact O-N 3.1Å
49	L	98.8	Very high	97.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.6	-175.7	-55	172.9	0	0	0	111.5	I47 E416 V417 L724 F725 I739 T743 V745	I47-L49 HydrophobicContact CD1-CD2 4.01Å; I47-L49 HydrophobicContact CG1-CD2 3.93Å; I47-L49 HydrophobicContact CG2-CD1 4.31Å; I47-L49 HydrophobicContact CG2-CD2 4.21Å; I47-L49 HydrophobicContact CG2-CG 4.21Å; L49-E416 CarbonylContact O-C 3.46Å; L49-E416 WeakPolarHBondContact O-CA 3.29Å; L49-V417 WeakPolarHBondContact CA-O 3.19Å; L49-V417 HydrophobicContact CB-CG1 3.85Å; L49-V417 WeakPolarHBondContact CB-O 3.43Å; L49-V417 PolarHBondContact N-O 2.73Å; L49-V417 PolarHBondContact O-N 3.06Å; L49-L724 HydrophobicContact CD1-CD1 4.4Å; L49-F725 CarbonylContact C-O 3.43Å; L49-F725 WeakPolarHBondContact CA-O 3.44Å; L49-I739 HydrophobicContact CD2-CG2 3.66Å; L49-T743 HydrophobicContact CD1-CG2 3.56Å; L49-T743 HydrophobicContact CD2-CG2 4.33Å; L49-V745 HydrophobicContact CD1-CG2 3.66Å
50	Q	98.6	Very high	97.2	Very high	44 Å²	44	53.2 Å²	53.2	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.3	163.1	-84.8	173.2	-21.8	0	0	109.2	M414 E416 L724 F725 V727	Q50-M414 HydrophobicContact CB-CB 4.03Å; Q50-M414 HydrophobicContact CB-SD 4.24Å; Q50-M414 HydrophobicContact CG-CB 4.2Å; Q50-E416 HydrophobicContact CG-CG 4.12Å; Q50-L724 WeakPolarHBondContact O-CA 3.43Å; Q50-F725 PolarHBondContact N-O 2.73Å; Q50-F725 WeakPolarHBondContact O-CD2 3.38Å; Q50-F725 PolarHBondContact O-N 3.4Å; Q50-V727 HydrophobicContact CG-CG2 3.86Å
51	A	98.6	Very high	96.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.6	172.5	0	0	0	0	0	109.8	F53 M414 T415 V417 R723 L724 I749	A51-F53 HydrophobicContact CB-CB 4.28Å; A51-F53 HydrophobicContact CB-CD2 4.38Å; A51-F53 PolarHBondContact O-N 3.5Å; A51-M414 WeakPolarHBondContact O-CB 3.3Å; A51-M414 WeakPolarHBondContact O-CG 3.44Å; A51-T415 PolarHBondContact N-O 2.9Å; A51-T415 PolarHBondContact O-N 3.36Å; A51-V417 HydrophobicContact CB-CG1 4.47Å; A51-R723 WeakPolarHBondContact CA-O 3.08Å; A51-L724 HydrophobicContact CB-CD2 3.94Å; A51-I749 HydrophobicContact CB-CD1 3.87Å; A51-I749 HydrophobicContact CB-CG2 4.12Å
52	N	98.4	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-74.3	43.7	171.9	68	-30.1	0	0	0	113	N225 I226 I388 M414 H721 T722 R723 F725	N52-N225 PolarHBondContact ND2-ND2 3.35Å; N52-N225 WeakPolarHBondContact O-CA 3.29Å; N52-N225 PolarHBondContact O-ND2 3.47Å; N52-N225 PolarHBondContact OD1-ND2 3.4Å; N52-I226 VanDerWaalsContact CB-O 3.32Å; N52-I226 WeakPolarHBondContact CB-O 3.35Å; N52-I226 PolarHBondContact ND2-O 3.03Å; N52-I226 PolarHBondContact O-N 2.92Å; N52-I388 HydrophobicContact CB-CD1 4.08Å; N52-I388 HydrophobicContact CB-CG2 4.3Å; N52-M414 HydrophobicContact CB-CE 4.2Å; N52-H721 PolarHBondContact ND2-O 2.75Å; N52-H721 PolarHBondContact OD1-O 3.32Å; N52-T722 WeakPolarHBondContact OD1-CA 3.32Å; N52-R723 PolarHBondContact N-O 3.24Å; N52-R723 PolarHBondContact OD1-N 2.83Å; N52-R723 PolarHBondContact OD1-O 3.17Å; N52-F725 HydrophobicContact CB-CE2 4.33Å
53	F	98.4	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.7	176.2	-83.5	-130.9	0	0	0	106.3	A51 R216 M223 N225 T415 T722 I749	A51-F53 HydrophobicContact CB-CB 4.28Å; A51-F53 HydrophobicContact CB-CD2 4.38Å; A51-F53 PolarHBondContact O-N 3.5Å; F53-R216 HydrophobicContact CE1-CB 4.48Å; F53-M223 HydrophobicContact CB-CB 4.34Å; F53-M223 HydrophobicContact CB-SD 4.21Å; F53-M223 HydrophobicContact CD1-CB 3.43Å; F53-M223 VanDerWaalsContact CD1-CB 3.43Å; F53-M223 HydrophobicContact CD1-CG 3.75Å; F53-M223 HydrophobicContact CD1-SD 4.42Å; F53-M223 HydrophobicContact CE1-CB 4.1Å; F53-M223 HydrophobicContact CG-CB 4.26Å; F53-N225 HydrophobicContact CD2-CB 4.02Å; F53-N225 WeakPolarHBondContact CD2-ND2 3.46Å; F53-N225 HydrophobicContact CE2-CB 3.75Å; F53-N225 VanDerWaalsContact CE2-CG 3.48Å; F53-N225 VanDerWaalsContact CE2-ND2 3.3Å; F53-N225 WeakPolarHBondContact CE2-ND2 3.36Å; F53-N225 HydrophobicContact CZ-CB 4.03Å; F53-T415 VanDerWaalsContact O-CB 3.3Å; F53-T415 WeakPolarHBondContact O-CB 3.46Å; F53-T415 PolarHBondContact O-N 2.64Å; F53-T415 PolarHBondContact O-OG1 2.94Å; F53-T722 HydrophobicContact CD2-CG2 4.4Å; F53-T722 HydrophobicContact CE2-CG2 3.68Å; F53-T722 HydrophobicContact CZ-CG2 4.3Å; F53-I749 HydrophobicContact CB-CG2 4.16Å; F53-I749 HydrophobicContact CD1-CB 3.94Å; F53-I749 HydrophobicContact CD1-CG2 3.98Å; F53-I749 HydrophobicContact CE1-CB 4.15Å; F53-I749 HydrophobicContact CG-CB 4.41Å; F53-I749 HydrophobicContact CG-CG2 4.12Å
54	F	98	Very high	96.4	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	-176.9	-62.5	-86.3	0	0	0	107.5	M56 L224 I226 I388 M392 V410 R411 D412 E413 M414	F54-M56 PolarHBondContact O-N 3.45Å; F54-L224 HydrophobicContact CB-CB 4.32Å; F54-L224 WeakPolarHBondContact CD2-O 2.96Å; F54-L224 PolarHBondContact N-O 3.27Å; F54-L224 PolarHBondContact O-N 3.38Å; F54-I226 HydrophobicContact CD2-CB 4.21Å; F54-I226 HydrophobicContact CD2-CG1 4.19Å; F54-I226 HydrophobicContact CE2-CB 3.98Å; F54-I226 HydrophobicContact CE2-CG1 4.42Å; F54-I388 HydrophobicContact CE2-CG2 4.05Å; F54-I388 HydrophobicContact CZ-CG2 3.94Å; F54-M392 HydrophobicContact CB-CE 4.02Å; F54-M392 HydrophobicContact CD1-CE 3.71Å; F54-M392 HydrophobicContact CD1-CG 3.99Å; F54-M392 HydrophobicContact CD1-SD 4.26Å; F54-M392 HydrophobicContact CD2-CE 4.06Å; F54-M392 HydrophobicContact CD2-CG 4.11Å; F54-M392 HydrophobicContact CD2-SD 3.84Å; F54-M392 HydrophobicContact CE1-CB 4.26Å; F54-M392 HydrophobicContact CE1-CE 4.25Å; F54-M392 HydrophobicContact CE1-CG 3.52Å; F54-M392 HydrophobicContact CE1-SD 4.34Å; F54-M392 HydrophobicContact CE2-CG 3.67Å; F54-M392 HydrophobicContact CE2-SD 3.93Å; F54-M392 HydrophobicContact CG-CE 3.63Å; F54-M392 HydrophobicContact CG-CG 4.29Å; F54-M392 HydrophobicContact CG-SD 4.04Å; F54-M392 HydrophobicContact CZ-CB 4.43Å; F54-M392 HydrophobicContact CZ-CG 3.36Å; F54-M392 HydrophobicContact CZ-SD 4.2Å; F54-V410 HydrophobicContact CB-CG1 4.04Å; F54-R411 WeakPolarHBondContact CB-O 3.13Å; F54-R411 WeakPolarHBondContact CD1-O 3.49Å; F54-D412 WeakPolarHBondContact CE1-O 3.42Å; F54-E413 VanDerWaalsContact CD1-C 3.48Å; F54-E413 WeakPolarHBondContact CD1-O 3.4Å; F54-E413 VanDerWaalsContact CE1-C 3.44Å; F54-M414 HydrophobicContact CE1-CB 4.46Å; F54-M414 HydrophobicContact CE1-CG 3.87Å; F54-M414 HydrophobicContact CZ-CE 4.38Å; F54-M414 HydrophobicContact CZ-CG 3.63Å
55	E	97.4	Very high	96.4	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135	-176.5	-66.7	-175.5	-166.1	0	0	110.4	K221 M223 R411	E55-K221 HydrophobicContact CB-CD 4.31Å; E55-K221 IonicContact OE2-NZ 3.71Å; E55-K221 PolarHBondContact OE2-NZ 3.43Å; E55-M223 HydrophobicContact CG-CE 4.06Å; E55-M223 HydrophobicContact CG-SD 3.97Å; E55-R411 HydrophobicContact CB-CB 4.32Å; E55-R411 PolarHBondContact O-N 3.23Å
56	M	96.9	Very high	96.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.8	175.1	-56.2	176.5	69.9	0	0	109.8	F54 I58 M175 V215 M222 L224 V408 V409 V410	F54-M56 PolarHBondContact O-N 3.45Å; M56-I58 HydrophobicContact CB-CD1 3.85Å; M56-I58 HydrophobicContact CB-CG1 4.42Å; M56-I58 HydrophobicContact CE-CD1 3.99Å; M56-M175 HydrophobicContact CE-CE 4.27Å; M56-M175 HydrophobicContact CE-CG 3.67Å; M56-M175 HydrophobicContact CE-SD 3.7Å; M56-V215 HydrophobicContact CE-CG2 4.24Å; M56-V215 HydrophobicContact SD-CG1 4.02Å; M56-V215 HydrophobicContact SD-CG2 4.15Å; M56-M222 HydrophobicContact CB-CB 4.02Å; M56-M222 WeakPolarHBondContact CB-O 3.27Å; M56-M222 PolarHBondContact N-O 3.19Å; M56-M222 HydrophobicContact SD-CB 4.35Å; M56-L224 HydrophobicContact CG-CB 3.92Å; M56-L224 HydrophobicContact SD-CB 3.84Å; M56-L224 HydrophobicContact SD-CD1 4.46Å; M56-V408 HydrophobicContact CE-CG1 3.75Å; M56-V409 CarbonylContact C-O 3.54Å; M56-V409 WeakPolarHBondContact CA-O 3.4Å; M56-V410 HydrophobicContact CG-CG2 4.39Å
57	E	95.7	Very high	96.3	Very high	110 Å²	110	39 Å²	39	51%	0.514	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.1	168.2	-51.4	-167.7	153.4	0	0	108.1	K221 V408 V409	E57-K221 IonicContact OE1-NZ 3.4Å; E57-V408 WeakPolarHBondContact O-CA 3.49Å; E57-V409 HydrophobicContact CB-CB 4.2Å; E57-V409 PolarHBondContact N-O 3.37Å; E57-V409 PolarHBondContact O-N 3.39Å
58	I	94.5	Very high	96.2	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.072	18%	0.176	C	C	.	.			trans	-110	127.8	-174.9	-52.5	-57.6	0	0	0	108	M56 L149 H153 L171 M222 V408	M56-I58 HydrophobicContact CB-CD1 3.85Å; M56-I58 HydrophobicContact CB-CG1 4.42Å; M56-I58 HydrophobicContact CE-CD1 3.99Å; I58-L149 HydrophobicContact CG2-CB 4.19Å; I58-L149 HydrophobicContact CG2-CD1 3.8Å; I58-L149 HydrophobicContact CG2-CD2 4.07Å; I58-L149 HydrophobicContact CG2-CG 4.25Å; I58-H153 PolarHBondContact O-CE1 3.07Å; I58-H153 VanDerWaalsContact O-CE1 3.32Å; I58-H153 PolarHBondContact O-NE2 3.42Å; I58-L171 HydrophobicContact CD1-CD1 4.08Å; I58-L171 HydrophobicContact CD1-CD2 4.09Å; I58-L171 HydrophobicContact CG1-CD1 4.26Å; I58-L171 HydrophobicContact CG2-CD1 4.29Å; I58-L171 HydrophobicContact CG2-CD2 4.2Å; I58-M222 HydrophobicContact CD1-CB 4.41Å; I58-M222 HydrophobicContact CG1-CB 3.99Å; I58-M222 HydrophobicContact CG1-CG 3.93Å; I58-V408 HydrophobicContact CD1-CG1 3.94Å; I58-V408 HydrophobicContact CD1-CG2 3.98Å
59	P	93.6	Very high	96.1	Very high	33 Å²	33	34.6 Å²	34.6	21%	0.214	16%	0.159	C	C	.	.			trans	-68.5	159	178.5	26.7	-31.4	0	0	0	111.7	L61 L149 F406 G407	P59-L61 VanDerWaalsContact C-N 3.34Å; P59-L61 HydrophobicContact CB-CD2 3.79Å; P59-L61 HydrophobicContact CB-CG 4.09Å; P59-L61 HydrophobicContact CG-CD2 3.49Å; P59-L61 VanDerWaalsContact CG-CD2 3.49Å; P59-L61 HydrophobicContact CG-CG 3.85Å; P59-L61 PolarHBondContact O-N 3.4Å; P59-L149 HydrophobicContact CG-CD1 4.34Å; P59-L149 VanDerWaalsContact O-CB 3.3Å; P59-L149 WeakPolarHBondContact O-CB 3.26Å; P59-L149 WeakPolarHBondContact O-CD1 3.25Å; P59-F406 WeakPolarHBondContact CG-O 3.47Å; P59-G407 WeakPolarHBondContact CD-O 3.45Å
60	R	89.8	Confident	95.9	Very high	189 Å²	189	35 Å²	35	71%	0.713	16%	0.161	S	C	*	.	S	Bend	trans	-91.4	71.5	174.7	-65.9	176.3	179.2	-175	4.7	109.5	Q150	R60-Q150 VanDerWaalsContact CG-OE1 3.3Å
61	L	88.9	Confident	95.6	Very high	53 Å²	53	37.9 Å²	37.9	28%	0.277	17%	0.173	S	C	.	.			trans	-128.7	167.5	-179.9	62.8	79.4	0	0	0	112.2	P59 V63 L149	P59-L61 VanDerWaalsContact C-N 3.34Å; P59-L61 HydrophobicContact CB-CD2 3.79Å; P59-L61 HydrophobicContact CB-CG 4.09Å; P59-L61 HydrophobicContact CG-CD2 3.49Å; P59-L61 VanDerWaalsContact CG-CD2 3.49Å; P59-L61 HydrophobicContact CG-CG 3.85Å; P59-L61 PolarHBondContact O-N 3.4Å; L61-V63 HydrophobicContact CD1-CG2 3.54Å; L61-L149 HydrophobicContact CD1-CD1 3.63Å; L61-L149 HydrophobicContact CD1-CG 4.48Å; L61-L149 HydrophobicContact CG-CD1 3.91Å; L61-L149 VanDerWaalsContact O-CB 3.3Å; L61-L149 WeakPolarHBondContact O-CB 3.3Å; L61-L149 WeakPolarHBondContact O-CG 3.48Å; L61-L149 PolarHBondContact O-N 3.03Å; L61-L149 VanDerWaalsContact O-N 3.13Å
62	E	93.2	Very high	95.1	Very high	105 Å²	105	41.8 Å²	41.8	49%	0.491	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.1	172.1	-83.1	-165.8	177.6	0	0	110.4	C146	E62-C146 WeakPolarHBondContact CB-SG 3.47Å; E62-C146 VanDerWaalsContact CG-SG 3.58Å; E62-C146 PolarHBondContact OE2-SG 2.92Å
63	V	95.6	Very high	94.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.8	176.1	171.2	0	0	0	0	109.3	L61 Y110 V147 L149 F406	L61-V63 HydrophobicContact CD1-CG2 3.54Å; V63-Y110 HydrophobicContact CG1-CD1 3.93Å; V63-Y110 HydrophobicContact CG1-CG 4.33Å; V63-V147 HydrophobicContact CB-CB 4.16Å; V63-V147 PolarHBondContact N-O 2.71Å; V63-V147 PolarHBondContact O-N 3.21Å; V63-L149 HydrophobicContact CG2-CD1 3.87Å; V63-L149 HydrophobicContact CG2-CD2 4.42Å; V63-L149 HydrophobicContact CG2-CG 4.06Å; V63-F406 HydrophobicContact CG1-CE1 3.79Å; V63-F406 HydrophobicContact CG2-CD1 4.06Å; V63-F406 HydrophobicContact CG2-CE1 4.09Å
64	Y	97.3	Very high	93.3	Very high	48 Å²	48	58 Å²	58	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.4	-174.8	-59.6	-96.3	0	0	0	110.3	Y66 Y110 T111 P114	Y64-Y66 WeakPolarHBondContact CB-OH 3.4Å; Y64-Y66 WeakPolarHBondContact O-CE2 3.49Å; Y64-Y110 VanDerWaalsContact O-CA 3.24Å; Y64-Y110 WeakPolarHBondContact O-CA 3.24Å; Y64-T111 PolarHBondContact N-O 3.3Å; Y64-T111 PolarHBondContact O-N 3.1Å; Y64-P114 HydrophobicContact CD1-CB 3.85Å; Y64-P114 HydrophobicContact CE1-CB 3.62Å; Y64-P114 HydrophobicContact CE1-CG 4.09Å; Y64-P114 HydrophobicContact CE2-CB 4.35Å; Y64-P114 VanDerWaalsContact CE2-CD 3.5Å; Y64-P114 HydrophobicContact CE2-CG 4.36Å; Y64-P114 HydrophobicContact CG-CB 4.3Å
65	H	97.8	Very high	92.8	Very high	22 Å²	22	59.3 Å²	59.3	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132	-179.6	175	-142.2	0	0	0	111.4	N108 Y110 V144 S145 V147	H65-N108 PolarHBondContact NE2-OD1 3.31Å; H65-Y110 HydrophobicContact CB-CD1 3.88Å; H65-Y110 HydrophobicContact CB-CE1 3.72Å; H65-Y110 AromaticContact CD2-CE1 3.52Å; H65-Y110 AromaticContact CD2-CZ 3.79Å; H65-Y110 AromaticContact CG-CE1 3.68Å; H65-V144 PolarHBondContact O-N 2.87Å; H65-S145 PolarHBondContact N-O 3.21Å; H65-S145 PolarHBondContact ND1-OG 3.37Å; H65-S145 PolarHBondContact O-N 2.97Å; H65-V147 HydrophobicContact CB-CG2 4.3Å
66	Y	97.8	Very high	92.3	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140	177.5	-53.4	-94.7	0	0	0	110.7	Y64 L109 T111 L115 I117 I141 K142 W143	Y64-Y66 WeakPolarHBondContact CB-OH 3.4Å; Y64-Y66 WeakPolarHBondContact O-CE2 3.49Å; Y66-L109 HydrophobicContact CD2-CD2 3.71Å; Y66-L109 HydrophobicContact CG-CD2 4.19Å; Y66-L109 PolarHBondContact N-O 2.82Å; Y66-L109 PolarHBondContact O-N 2.79Å; Y66-T111 HydrophobicContact CE2-CG2 4.18Å; Y66-T111 WeakPolarHBondContact CE2-OG1 3.25Å; Y66-L115 HydrophobicContact CD1-CD1 4.23Å; Y66-L115 HydrophobicContact CD2-CD1 4.24Å; Y66-L115 HydrophobicContact CE1-CB 4.06Å; Y66-L115 HydrophobicContact CE1-CD1 3.97Å; Y66-L115 HydrophobicContact CE1-CG 4.19Å; Y66-L115 HydrophobicContact CE2-CD1 3.98Å; Y66-L115 HydrophobicContact CE2-CG 4.06Å; Y66-L115 HydrophobicContact CG-CD1 4.37Å; Y66-L115 PolarHBondContact OH-N 2.95Å; Y66-I117 HydrophobicContact CD1-CD1 3.81Å; Y66-I117 HydrophobicContact CE1-CD1 3.79Å; Y66-I117 HydrophobicContact CE1-CG1 4.2Å; Y66-I141 HydrophobicContact CD1-CG2 4.17Å; Y66-I141 HydrophobicContact CG-CG2 4.35Å; Y66-K142 CarbonylContact C-O 3.52Å; Y66-K142 WeakPolarHBondContact CA-O 3.48Å; Y66-W143 HydrophobicContact CD1-CB 3.98Å; Y66-W143 HydrophobicContact CE1-CB 3.93Å; Y66-W143 AromaticContact CE1-CD1 3.78Å; Y66-W143 HydrophobicContact CE1-CG 4.28Å
67	D	96.6	Very high	92	Very high	53 Å²	53	68.6 Å²	68.6	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.6	167.5	-171.4	74.6	0	0	0	109.4	K107 K142 V144	D67-K107 CarbonylContact C-O 3.59Å; D67-K107 VanDerWaalsContact CA-O 3.27Å; D67-K107 WeakPolarHBondContact CA-O 3.26Å; D67-K142 PolarHBondContact N-O 2.9Å; D67-K142 PolarHBondContact O-N 3.28Å; D67-V144 HydrophobicContact CB-CG2 3.63Å
68	I	96.6	Very high	91.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.1	177.6	-59	-64	0	0	0	108.9	I70 V84 Y103 K107 L109 V139 A140 I141	I68-I70 HydrophobicContact CG2-CD1 4.21Å; I68-I70 HydrophobicContact CG2-CG1 3.86Å; I68-V84 HydrophobicContact CG2-CG2 4.32Å; I68-Y103 HydrophobicContact CB-CE2 4.12Å; I68-Y103 HydrophobicContact CG1-CE2 4.24Å; I68-Y103 HydrophobicContact CG2-CE2 4.35Å; I68-K107 PolarHBondContact N-O 2.93Å; I68-K107 WeakPolarHBondContact O-CA 3.43Å; I68-L109 HydrophobicContact CD1-CB 3.96Å; I68-L109 HydrophobicContact CD1-CD1 3.99Å; I68-L109 HydrophobicContact CD1-CG 4.47Å; I68-L109 HydrophobicContact CG1-CB 3.52Å; I68-L109 HydrophobicContact CG1-CD1 4.18Å; I68-L109 HydrophobicContact CG1-CG 4.45Å; I68-V139 HydrophobicContact CG2-CG1 3.92Å; I68-A140 WeakPolarHBondContact CA-O 3.44Å; I68-I141 HydrophobicContact CD1-CB 4.11Å; I68-I141 HydrophobicContact CD1-CD1 4.37Å; I68-I141 HydrophobicContact CD1-CG1 3.72Å; I68-I141 HydrophobicContact CD1-CG2 3.88Å
69	D	95.8	Very high	91.6	Very high	29 Å²	29	68.9 Å²	68.9	16%	0.155	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.5	172.3	-174.3	34.3	0	0	0	109.8	K71 V139 A140	D69-K71 VanDerWaalsContact OD2-CE 3.28Å; D69-K71 WeakPolarHBondContact OD2-CE 3.33Å; D69-V139 CarbonylContact O-C 3.46Å; D69-V139 VanDerWaalsContact O-CA 3.29Å; D69-V139 WeakPolarHBondContact O-CA 2.9Å; D69-A140 HydrophobicContact CB-CB 4.27Å; D69-A140 PolarHBondContact N-O 3.37Å; D69-A140 PolarHBondContact O-N 3.15Å
70	I	95	Very high	91.6	Very high	8 Å²	8	68 Å²	68	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.2	-178.4	-58.5	176.5	0	0	0	108.6	I68 P72 E73 N80 I83 V84 F137 V139	I68-I70 HydrophobicContact CG2-CD1 4.21Å; I68-I70 HydrophobicContact CG2-CG1 3.86Å; I70-P72 CarbonylContact O-C 3.48Å; I70-P72 VanDerWaalsContact O-C 3.29Å; I70-E73 VanDerWaalsContact O-CA 3.25Å; I70-E73 WeakPolarHBondContact O-CA 3.12Å; I70-E73 PolarHBondContact O-N 3.42Å; I70-N80 HydrophobicContact CD1-CB 3.88Å; I70-I83 HydrophobicContact CD1-CG2 4.32Å; I70-I83 HydrophobicContact CG2-CD1 3.83Å; I70-I83 HydrophobicContact CG2-CG2 4.46Å; I70-V84 HydrophobicContact CD1-CG2 4.24Å; I70-F137 HydrophobicContact CG2-CD1 4.07Å; I70-V139 HydrophobicContact CG1-CG1 4.22Å; I70-V139 HydrophobicContact CG1-CG2 4.33Å
71	K	92.7	Very high	91.9	Very high	106 Å²	106	60 Å²	60	46%	0.461	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.9	175	-66.1	-174.6	-179.7	177.8	0	110.9	D69 K138	D69-K71 VanDerWaalsContact OD2-CE 3.28Å; D69-K71 WeakPolarHBondContact OD2-CE 3.33Å; K71-K138 HydrophobicContact CB-CB 4.4Å; K71-K138 PolarHBondContact N-O 3.26Å; K71-K138 PolarHBondContact O-N 3.32Å
72	P	88.2	Confident	92	Very high	81 Å²	81	60.2 Å²	60.2	53%	0.526	29%	0.286	S	S	.	.	S	Bend	cis	-74.3	142.2	1.8	29.4	-36.7	0	0	0	115.1	I70 K74 F137	I70-P72 CarbonylContact O-C 3.48Å; I70-P72 VanDerWaalsContact O-C 3.29Å; P72-K74 VanDerWaalsContact C-N 3.34Å; P72-K74 PolarHBondContact O-N 2.86Å; P72-F137 HydrophobicContact CG-CE1 4.22Å
73	E	75.6	Confident	92.1	Very high	134 Å²	134	55.2 Å²	55.2	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.2	-171.1	-66.7	175.9	-165.5	0	0	115.3	I70 C75	I70-E73 VanDerWaalsContact O-CA 3.25Å; I70-E73 WeakPolarHBondContact O-CA 3.12Å; I70-E73 PolarHBondContact O-N 3.42Å; E73-C75 PolarHBondContact O-N 3.44Å; E73-C75 VanDerWaalsContact O-N 3.15Å
74	K	83.3	Confident	92.1	Very high	208 Å²	208	55.3 Å²	55.3	90%	0.904	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	28.6	-170.9	-66.7	-175.1	-179.7	175.6	0	114.1	P72	P72-K74 VanDerWaalsContact C-N 3.34Å; P72-K74 PolarHBondContact O-N 2.86Å
75	C	85.8	Confident	92	Very high	28 Å²	28	56.1 Å²	56.1	19%	0.189	27%	0.268	C	S	.	.			trans	-81.4	144.2	177.4	-75.1	0	0	0	0	111.9	E73 V79 N80	E73-C75 PolarHBondContact O-N 3.44Å; E73-C75 VanDerWaalsContact O-N 3.15Å; C75-V79 HydrophobicContact CB-CB 4.31Å; C75-V79 HydrophobicContact CB-CG1 4.22Å; C75-N80 WeakPolarHBondContact CB-OD1 3.26Å
76	P	87.7	Confident	91.8	Very high	86 Å²	86	58 Å²	58	56%	0.558	28%	0.277	S	S	*	.			trans	-57.8	144.2	170.9	-22.5	32.5	0	0	0	111.2	R78 V79 N80	P76-R78 PolarHBondContact O-N 2.98Å; P76-V79 HydrophobicContact CB-CG2 4.22Å; P76-V79 HydrophobicContact CG-CG2 4.12Å; P76-V79 WeakPolarHBondContact O-CA 3.32Å; P76-V79 WeakPolarHBondContact O-CB 3.23Å; P76-V79 PolarHBondContact O-N 3.18Å; P76-N80 PolarHBondContact O-N 2.85Å
77	R	91.1	Very high	91.7	Very high	127 Å²	127	57.9 Å²	57.9	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-48.6	-35.6	177.7	-78	179.8	160.3	-175.3	-12.5	114.2	N80 R81 R106	R77-N80 PolarHBondContact O-N 2.81Å; R77-R81 WeakPolarHBondContact O-CG 3.35Å; R77-R81 PolarHBondContact O-N 2.93Å; R77-R81 VanDerWaalsContact O-N 3.1Å; R77-R106 HydrophobicContact CG-CG 4.25Å; R77-R106 VanDerWaalsContact NE-NE 3.12Å
78	R	89.8	Confident	91.7	Very high	108 Å²	108	56.8 Å²	56.8	41%	0.408	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176.3	176.4	55.6	175	175.1	-22.3	111.8	P76 R81 E82 M181	P76-R78 PolarHBondContact O-N 2.98Å; R78-R81 WeakPolarHBondContact O-CB 3.44Å; R78-R81 PolarHBondContact O-N 3.26Å; R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 IonicContact NE-OE1 2.66Å; R78-E82 PolarHBondContact NE-OE1 2.77Å; R78-E82 PolarHBondContact O-N 3.48Å; R78-E82 VanDerWaalsContact O-N 3.07Å; R78-M181 VanDerWaalsContact CZ-O 3.25Å; R78-M181 PolarHBondContact NH1-O 3.28Å; R78-M181 VanDerWaalsContact NH1-O 3.08Å; R78-M181 PolarHBondContact NH2-O 2.85Å
79	V	90.7	Very high	91.5	Very high	22 Å²	22	62.8 Å²	62.8	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-41.5	176.4	179.7	0	0	0	0	110.2	C75 P76 R81 E82 I83 I128	C75-V79 HydrophobicContact CB-CB 4.31Å; C75-V79 HydrophobicContact CB-CG1 4.22Å; P76-V79 HydrophobicContact CB-CG2 4.22Å; P76-V79 HydrophobicContact CG-CG2 4.12Å; P76-V79 WeakPolarHBondContact O-CA 3.32Å; P76-V79 WeakPolarHBondContact O-CB 3.23Å; P76-V79 PolarHBondContact O-N 3.18Å; V79-R81 PolarHBondContact O-N 3.2Å; V79-E82 WeakPolarHBondContact O-CB 3.49Å; V79-E82 PolarHBondContact O-N 2.9Å; V79-E82 VanDerWaalsContact O-N 3.13Å; V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 VanDerWaalsContact O-CG1 3.3Å; V79-I83 WeakPolarHBondContact O-CG1 3.44Å; V79-I83 PolarHBondContact O-N 2.98Å; V79-I128 HydrophobicContact CG1-CD1 4.37Å
80	N	94.8	Very high	91.4	Very high	14 Å²	14	68.1 Å²	68.1	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-37.8	175.5	-66	0.1	0	0	0	112.2	I70 C75 P76 R77 I83 V84 Y103 G105	I70-N80 HydrophobicContact CD1-CB 3.88Å; C75-N80 WeakPolarHBondContact CB-OD1 3.26Å; P76-N80 PolarHBondContact O-N 2.85Å; R77-N80 PolarHBondContact O-N 2.81Å; N80-I83 PolarHBondContact O-N 3.42Å; N80-V84 WeakPolarHBondContact O-CG2 3.42Å; N80-V84 PolarHBondContact O-N 3.47Å; N80-Y103 HydrophobicContact CB-CE1 4.08Å; N80-G105 WeakPolarHBondContact CB-O 3.46Å; N80-G105 PolarHBondContact ND2-O 3.35Å; N80-G105 VanDerWaalsContact ND2-O 3.16Å
81	R	95.1	Very high	91.4	Very high	22 Å²	22	68.8 Å²	68.8	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-42.9	175.4	-70.2	173.4	179	-77.2	-5.3	111.9	R77 R78 V79 I83 V84 E85 Y103 D104 S180	R77-R81 WeakPolarHBondContact O-CG 3.35Å; R77-R81 PolarHBondContact O-N 2.93Å; R77-R81 VanDerWaalsContact O-N 3.1Å; R78-R81 WeakPolarHBondContact O-CB 3.44Å; R78-R81 PolarHBondContact O-N 3.26Å; V79-R81 PolarHBondContact O-N 3.2Å; R81-I83 VanDerWaalsContact C-N 3.33Å; R81-I83 PolarHBondContact O-N 3.06Å; R81-V84 PolarHBondContact O-N 2.95Å; R81-E85 WeakPolarHBondContact O-CB 3.3Å; R81-E85 PolarHBondContact O-N 2.98Å; R81-Y103 HydrophobicContact CG-CD1 4.11Å; R81-Y103 HydrophobicContact CG-CE1 4.47Å; R81-Y103 VanDerWaalsContact CZ-O 3.31Å; R81-Y103 PolarHBondContact NH1-O 2.95Å; R81-Y103 PolarHBondContact NH2-O 3.15Å; R81-D104 PolarHBondContact NH2-O 2.97Å; R81-S180 VanDerWaalsContact CZ-CB 3.49Å
82	E	92.7	Very high	91.4	Very high	57 Å²	57	68.4 Å²	68.4	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-41.7	175.2	-70.6	164.5	-166.9	0	0	111.4	R78 V79 E85 H86	R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 IonicContact NE-OE1 2.66Å; R78-E82 PolarHBondContact NE-OE1 2.77Å; R78-E82 PolarHBondContact O-N 3.48Å; R78-E82 VanDerWaalsContact O-N 3.07Å; V79-E82 WeakPolarHBondContact O-CB 3.49Å; V79-E82 PolarHBondContact O-N 2.9Å; V79-E82 VanDerWaalsContact O-N 3.13Å; E82-E85 PolarHBondContact O-N 2.87Å; E82-H86 PolarHBondContact O-N 2.94Å; E82-H86 PolarHBondContact O-ND1 3.13Å
83	I	94.4	Very high	91.6	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-50.8	175.3	-67.3	164.8	0	0	0	110.4	I70 V79 N80 R81 E85 H86 M87 V126 I128 F137 V139	I70-I83 HydrophobicContact CD1-CG2 4.32Å; I70-I83 HydrophobicContact CG2-CD1 3.83Å; I70-I83 HydrophobicContact CG2-CG2 4.46Å; V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 VanDerWaalsContact O-CG1 3.3Å; V79-I83 WeakPolarHBondContact O-CG1 3.44Å; V79-I83 PolarHBondContact O-N 2.98Å; N80-I83 PolarHBondContact O-N 3.42Å; R81-I83 VanDerWaalsContact C-N 3.33Å; R81-I83 PolarHBondContact O-N 3.06Å; I83-E85 VanDerWaalsContact C-N 3.33Å; I83-E85 PolarHBondContact O-N 2.85Å; I83-H86 PolarHBondContact O-N 3.02Å; I83-M87 WeakPolarHBondContact O-CB 3.24Å; I83-M87 PolarHBondContact O-N 2.84Å; I83-V126 HydrophobicContact CG2-CB 4.34Å; I83-V126 HydrophobicContact CG2-CG1 4.15Å; I83-I128 HydrophobicContact CG1-CD1 3.95Å; I83-I128 HydrophobicContact CG1-CG2 4.32Å; I83-F137 HydrophobicContact CD1-CB 4.46Å; I83-F137 HydrophobicContact CD1-CD1 3.54Å; I83-F137 HydrophobicContact CD1-CD2 3.9Å; I83-F137 HydrophobicContact CD1-CE1 3.63Å; I83-F137 HydrophobicContact CD1-CE2 3.98Å; I83-F137 HydrophobicContact CD1-CG 3.68Å; I83-F137 HydrophobicContact CD1-CZ 3.85Å; I83-F137 HydrophobicContact CG1-CD1 4.49Å; I83-F137 HydrophobicContact CG1-CD2 4.01Å; I83-F137 HydrophobicContact CG1-CE2 4.19Å; I83-F137 HydrophobicContact CG1-CG 4.18Å; I83-F137 HydrophobicContact CG2-CB 4.37Å; I83-V139 HydrophobicContact CG2-CG2 3.68Å
84	V	96	Very high	92.3	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.03	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-36.3	-179.7	170.8	0	0	0	0	111.7	I68 I70 N80 R81 M87 V88 Y103 L109	I68-V84 HydrophobicContact CG2-CG2 4.32Å; I70-V84 HydrophobicContact CD1-CG2 4.24Å; N80-V84 WeakPolarHBondContact O-CG2 3.42Å; N80-V84 PolarHBondContact O-N 3.47Å; R81-V84 PolarHBondContact O-N 2.95Å; V84-M87 HydrophobicContact CB-CE 4.39Å; V84-M87 HydrophobicContact CG1-CE 4.02Å; V84-M87 HydrophobicContact CG2-CE 4.22Å; V84-M87 WeakPolarHBondContact O-CB 3.08Å; V84-M87 PolarHBondContact O-N 2.9Å; V84-V88 HydrophobicContact CG1-CG2 4.32Å; V84-V88 VanDerWaalsContact O-CG2 3.26Å; V84-V88 WeakPolarHBondContact O-CG2 3.46Å; V84-V88 PolarHBondContact O-N 3Å; V84-Y103 HydrophobicContact CB-CD1 3.84Å; V84-Y103 HydrophobicContact CB-CE1 4.09Å; V84-Y103 HydrophobicContact CB-CG 4.42Å; V84-Y103 HydrophobicContact CG1-CD1 4.08Å; V84-Y103 HydrophobicContact CG1-CG 4.17Å; V84-Y103 HydrophobicContact CG2-CD1 3.7Å; V84-Y103 HydrophobicContact CG2-CE1 3.49Å; V84-Y103 VanDerWaalsContact CG2-CE1 3.49Å; V84-Y103 HydrophobicContact CG2-CE2 4.47Å; V84-Y103 HydrophobicContact CG2-CG 4.25Å; V84-L109 HydrophobicContact CG1-CD1 3.99Å
85	E	95.1	Very high	92.8	Very high	65 Å²	65	61.4 Å²	61.4	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-47.1	175.3	-178.6	171.5	-143	0	0	111.8	R81 E82 I83 M87 V88 Q89	R81-E85 WeakPolarHBondContact O-CB 3.3Å; R81-E85 PolarHBondContact O-N 2.98Å; E82-E85 PolarHBondContact O-N 2.87Å; I83-E85 VanDerWaalsContact C-N 3.33Å; I83-E85 PolarHBondContact O-N 2.85Å; E85-M87 VanDerWaalsContact C-N 3.35Å; E85-V88 PolarHBondContact O-N 2.9Å; E85-Q89 WeakPolarHBondContact O-CG 3.47Å; E85-Q89 PolarHBondContact O-N 3.34Å; E85-Q89 VanDerWaalsContact O-N 3.11Å
86	H	94.2	Very high	93.2	Very high	62 Å²	62	60.1 Å²	60.1	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-38.4	175.5	-73.6	72	0	0	0	111.8	E82 I83 Q89 H90 V126 I128	E82-H86 PolarHBondContact O-N 2.94Å; E82-H86 PolarHBondContact O-ND1 3.13Å; I83-H86 PolarHBondContact O-N 3.02Å; H86-Q89 PolarHBondContact O-N 3.33Å; H86-H90 VanDerWaalsContact O-CB 3.26Å; H86-H90 WeakPolarHBondContact O-CB 3.46Å; H86-H90 PolarHBondContact O-N 3.11Å; H86-V126 HydrophobicContact CB-CG1 4.25Å; H86-I128 HydrophobicContact CB-CG2 4.03Å
87	M	95.3	Very high	93.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-46.6	174.9	-176.1	-175.4	64.7	0	0	111.4	I83 V84 E85 Q89 H90 F91 F96 L124 V126 V139 I141	I83-M87 WeakPolarHBondContact O-CB 3.24Å; I83-M87 PolarHBondContact O-N 2.84Å; V84-M87 HydrophobicContact CB-CE 4.39Å; V84-M87 HydrophobicContact CG1-CE 4.02Å; V84-M87 HydrophobicContact CG2-CE 4.22Å; V84-M87 WeakPolarHBondContact O-CB 3.08Å; V84-M87 PolarHBondContact O-N 2.9Å; E85-M87 VanDerWaalsContact C-N 3.35Å; M87-Q89 VanDerWaalsContact C-N 3.32Å; M87-Q89 PolarHBondContact O-N 3.04Å; M87-H90 PolarHBondContact O-N 3.34Å; M87-F91 HydrophobicContact CG-CD2 3.92Å; M87-F91 HydrophobicContact CG-CE2 4.5Å; M87-F91 WeakPolarHBondContact O-CB 3.47Å; M87-F91 WeakPolarHBondContact O-CD2 3.3Å; M87-F91 PolarHBondContact O-N 2.95Å; M87-F96 HydrophobicContact CE-CE2 4.44Å; M87-F96 HydrophobicContact CE-CZ 3.77Å; M87-F96 HydrophobicContact CG-CE2 4.16Å; M87-F96 HydrophobicContact CG-CZ 4.38Å; M87-F96 HydrophobicContact SD-CZ 4.47Å; M87-L124 HydrophobicContact CG-CD1 3.91Å; M87-L124 HydrophobicContact SD-CD1 3.75Å; M87-V126 HydrophobicContact CB-CG1 4.21Å; M87-V126 HydrophobicContact CB-CG2 3.71Å; M87-V126 HydrophobicContact CG-CG2 3.73Å; M87-V126 HydrophobicContact SD-CG2 4.28Å; M87-V139 HydrophobicContact CE-CG1 4.37Å; M87-V139 HydrophobicContact SD-CB 3.98Å; M87-V139 HydrophobicContact SD-CG1 3.52Å; M87-V139 VanDerWaalsContact SD-CG1 3.52Å; M87-I141 HydrophobicContact CE-CD1 3.9Å; M87-I141 HydrophobicContact SD-CD1 3.89Å; M87-I141 HydrophobicContact SD-CG1 4.36Å
88	V	95.4	Very high	93.6	Very high	30 Å²	30	57.5 Å²	57.5	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.5	170.2	0	0	0	0	111.3	V84 E85 K92 F96 P101	V84-V88 HydrophobicContact CG1-CG2 4.32Å; V84-V88 VanDerWaalsContact O-CG2 3.26Å; V84-V88 WeakPolarHBondContact O-CG2 3.46Å; V84-V88 PolarHBondContact O-N 3Å; E85-V88 PolarHBondContact O-N 2.9Å; V88-K92 PolarHBondContact O-N 2.82Å; V88-F96 HydrophobicContact CB-CD2 4.33Å; V88-F96 HydrophobicContact CB-CG 4.45Å; V88-F96 HydrophobicContact CG1-CB 4.34Å; V88-F96 HydrophobicContact CG1-CG 4.24Å; V88-F96 HydrophobicContact CG2-CD1 4.14Å; V88-F96 HydrophobicContact CG2-CD2 4.29Å; V88-F96 HydrophobicContact CG2-CE1 4.04Å; V88-F96 HydrophobicContact CG2-CE2 4.2Å; V88-F96 HydrophobicContact CG2-CG 4.26Å; V88-F96 HydrophobicContact CG2-CZ 4.08Å; V88-P101 HydrophobicContact CG2-CB 4.5Å; V88-P101 HydrophobicContact CG2-CG 3.97Å
89	Q	93.1	Very high	93.9	Very high	127 Å²	127	55.8 Å²	55.8	59%	0.593	28%	0.28	S	S	*	.	H	α-helix	trans	-69.3	-45.7	177.4	-68.8	172.2	8.3	0	0	112.4	E85 H86 M87 K92	E85-Q89 WeakPolarHBondContact O-CG 3.47Å; E85-Q89 PolarHBondContact O-N 3.34Å; E85-Q89 VanDerWaalsContact O-N 3.11Å; H86-Q89 PolarHBondContact O-N 3.33Å; M87-Q89 VanDerWaalsContact C-N 3.32Å; M87-Q89 PolarHBondContact O-N 3.04Å; Q89-K92 WeakPolarHBondContact O-CB 3.5Å
90	H	93.9	Very high	94.2	Very high	140 Å²	140	58.8 Å²	58.8	65%	0.648	29%	0.291	S	S	*	.	H	α-helix	trans	-72.6	-42.7	-174.7	-169	72.8	0	0	0	112.5	H86 M87 K92	H86-H90 VanDerWaalsContact O-CB 3.26Å; H86-H90 WeakPolarHBondContact O-CB 3.46Å; H86-H90 PolarHBondContact O-N 3.11Å; M87-H90 PolarHBondContact O-N 3.34Å; H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 PolarHBondContact O-N 3.26Å
91	F	94.5	Very high	94.3	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.096	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	25.7	-179.5	-63.1	-81.3	0	0	0	112.5	M87 T93 Q94 I95 F96 L124 E125 V126	M87-F91 HydrophobicContact CG-CD2 3.92Å; M87-F91 HydrophobicContact CG-CE2 4.5Å; M87-F91 WeakPolarHBondContact O-CB 3.47Å; M87-F91 WeakPolarHBondContact O-CD2 3.3Å; M87-F91 PolarHBondContact O-N 2.95Å; F91-T93 PolarHBondContact O-N 3.06Å; F91-Q94 PolarHBondContact O-N 3.49Å; F91-I95 PolarHBondContact O-N 3.46Å; F91-F96 HydrophobicContact CB-CD2 4.14Å; F91-F96 HydrophobicContact CB-CE2 3.99Å; F91-F96 PolarHBondContact O-N 3.39Å; F91-L124 HydrophobicContact CD1-CD2 3.96Å; F91-L124 HydrophobicContact CD2-CD1 4.15Å; F91-L124 HydrophobicContact CE1-CD2 3.85Å; F91-L124 HydrophobicContact CE2-CB 4.06Å; F91-L124 HydrophobicContact CE2-CD1 4.45Å; F91-L124 HydrophobicContact CE2-CD2 4.48Å; F91-L124 HydrophobicContact CG-CD1 4.28Å; F91-L124 HydrophobicContact CG-CD2 4.34Å; F91-L124 HydrophobicContact CZ-CB 4.14Å; F91-L124 HydrophobicContact CZ-CD2 4.12Å; F91-E125 WeakPolarHBondContact CZ-O 3.38Å; F91-V126 HydrophobicContact CE2-CG2 4.12Å
92	K	93.3	Very high	94.5	Very high	98 Å²	98	57.3 Å²	57.3	43%	0.426	29%	0.285	S	S	.	.	I	π-helix	trans	-57.4	-48.4	-179.6	-169.4	-174.1	177.6	-168.2	0	111.6	V88 Q89 H90 Q94 F96 G97 D98	V88-K92 PolarHBondContact O-N 2.82Å; Q89-K92 WeakPolarHBondContact O-CB 3.5Å; H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 PolarHBondContact O-N 3.26Å; K92-Q94 VanDerWaalsContact C-N 3.35Å; K92-Q94 PolarHBondContact O-N 2.89Å; K92-F96 PolarHBondContact O-N 2.86Å; K92-G97 WeakPolarHBondContact CE-O 3.46Å; K92-G97 WeakPolarHBondContact CG-O 3.1Å; K92-G97 VanDerWaalsContact O-CA 3.3Å; K92-G97 WeakPolarHBondContact O-CA 3.49Å; K92-G97 PolarHBondContact O-N 3.48Å; K92-D98 WeakPolarHBondContact CE-OD1 3.39Å; K92-D98 IonicContact NZ-OD1 3.58Å; K92-D98 PolarHBondContact NZ-OD1 2.89Å
93	T	91.4	Very high	94.7	Very high	135 Å²	135	54.6 Å²	54.6	83%	0.828	27%	0.272	S	S	*	.	I	π-helix	trans	-70.8	-29.1	-175.9	51.2	0	0	0	0	113.5	F91	F91-T93 PolarHBondContact O-N 3.06Å
94	Q	90.6	Very high	94.8	Very high	131 Å²	131	55.6 Å²	55.6	61%	0.612	28%	0.278	S	S	*	.	I	π-helix	trans	-89	-41.9	-175.1	-64.7	178.6	2.1	0	0	112.9	F91 K92	F91-Q94 PolarHBondContact O-N 3.49Å; K92-Q94 VanDerWaalsContact C-N 3.35Å; K92-Q94 PolarHBondContact O-N 2.89Å
95	I	93.6	Very high	94.7	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.056	28%	0.276	C	S	.	.	I	π-helix	trans	-124	-53.8	-167.3	-62	176	0	0	0	111.7	F91 L115 P116 I117 V122 L124	F91-I95 PolarHBondContact O-N 3.46Å; I95-L115 HydrophobicContact CG2-CD1 4.24Å; I95-L115 HydrophobicContact CG2-CD2 4.21Å; I95-P116 WeakPolarHBondContact O-CD 3.42Å; I95-I117 HydrophobicContact CG1-CG2 4.42Å; I95-I117 HydrophobicContact CG2-CG2 4.04Å; I95-V122 HydrophobicContact CD1-CG1 4.23Å; I95-L124 HydrophobicContact CD1-CD1 3.71Å; I95-L124 HydrophobicContact CD1-CD2 3.8Å; I95-L124 HydrophobicContact CD1-CG 4.29Å
96	F	94.5	Very high	94.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-84.4	-27.4	-164.5	-59.4	-73.2	0	0	0	113.1	M87 V88 F91 K92 D98 R99 P101 L115 I141	M87-F96 HydrophobicContact CE-CE2 4.44Å; M87-F96 HydrophobicContact CE-CZ 3.77Å; M87-F96 HydrophobicContact CG-CE2 4.16Å; M87-F96 HydrophobicContact CG-CZ 4.38Å; M87-F96 HydrophobicContact SD-CZ 4.47Å; V88-F96 HydrophobicContact CB-CD2 4.33Å; V88-F96 HydrophobicContact CB-CG 4.45Å; V88-F96 HydrophobicContact CG1-CB 4.34Å; V88-F96 HydrophobicContact CG1-CG 4.24Å; V88-F96 HydrophobicContact CG2-CD1 4.14Å; V88-F96 HydrophobicContact CG2-CD2 4.29Å; V88-F96 HydrophobicContact CG2-CE1 4.04Å; V88-F96 HydrophobicContact CG2-CE2 4.2Å; V88-F96 HydrophobicContact CG2-CG 4.26Å; V88-F96 HydrophobicContact CG2-CZ 4.08Å; F91-F96 HydrophobicContact CB-CD2 4.14Å; F91-F96 HydrophobicContact CB-CE2 3.99Å; F91-F96 PolarHBondContact O-N 3.39Å; K92-F96 PolarHBondContact O-N 2.86Å; F96-D98 PolarHBondContact O-N 3.32Å; F96-R99 WeakPolarHBondContact O-CB 3.33Å; F96-R99 WeakPolarHBondContact O-CD 3.31Å; F96-R99 WeakPolarHBondContact O-CG 3.44Å; F96-R99 PolarHBondContact O-N 3.37Å; F96-P101 HydrophobicContact CD1-CG 3.5Å; F96-P101 VanDerWaalsContact CD1-CG 3.5Å; F96-P101 HydrophobicContact CE1-CG 3.89Å; F96-P101 HydrophobicContact CG-CG 4.45Å; F96-L115 HydrophobicContact CD1-CD2 3.95Å; F96-L115 HydrophobicContact CE1-CD1 4.15Å; F96-L115 HydrophobicContact CE1-CD2 4.4Å; F96-I141 HydrophobicContact CE1-CD1 4.43Å; F96-I141 HydrophobicContact CZ-CD1 3.78Å
97	G	94	Very high	94.7	Very high	27 Å²	27	61.1 Å²	61.1	28%	0.278	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-134	-173.8	0	0	0	0	0	110.6	K92 R99	K92-G97 WeakPolarHBondContact CE-O 3.46Å; K92-G97 WeakPolarHBondContact CG-O 3.1Å; K92-G97 VanDerWaalsContact O-CA 3.3Å; K92-G97 WeakPolarHBondContact O-CA 3.49Å; K92-G97 PolarHBondContact O-N 3.48Å; G97-R99 VanDerWaalsContact C-N 3.29Å
98	D	93.3	Very high	94.8	Very high	132 Å²	132	62.6 Å²	62.6	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	2.5	174.4	-64.4	-44.5	0	0	0	114.2	K92 F96	K92-D98 WeakPolarHBondContact CE-OD1 3.39Å; K92-D98 IonicContact NZ-OD1 3.58Å; K92-D98 PolarHBondContact NZ-OD1 2.89Å; F96-D98 PolarHBondContact O-N 3.32Å
99	R	95.9	Very high	94.9	Very high	71 Å²	71	61.2 Å²	61.2	27%	0.268	30%	0.295	S	S	.	.			trans	-68	148	-179.6	-57.4	163.9	-178.7	69.6	-1.4	110.3	F96 G97 P101 M113 P114 E405	F96-R99 WeakPolarHBondContact O-CB 3.33Å; F96-R99 WeakPolarHBondContact O-CD 3.31Å; F96-R99 WeakPolarHBondContact O-CG 3.44Å; F96-R99 PolarHBondContact O-N 3.37Å; G97-R99 VanDerWaalsContact C-N 3.29Å; R99-P101 WeakPolarHBondContact O-CD 3.48Å; R99-M113 HydrophobicContact CG-CB 4.44Å; R99-P114 PolarHBondContact NE-O 3.25Å; R99-P114 PolarHBondContact NH2-O 3.01Å; R99-E405 VanDerWaalsContact CA-OE1 3.26Å; R99-E405 WeakPolarHBondContact CA-OE1 3.4Å
100	K	96.9	Very high	95.1	Very high	85 Å²	85	55.4 Å²	55.4	37%	0.37	27%	0.267	S	S	.	.			trans	-116.5	87.2	176.2	-63.5	176.7	-173.2	165	0	111	P401 Y402 E405	K100-P401 HydrophobicContact CD-CB 4.1Å; K100-Y402 HydrophobicContact CB-CD1 3.87Å; K100-Y402 HydrophobicContact CB-CE1 4.03Å; K100-E405 HydrophobicContact CB-CB 4.22Å; K100-E405 HydrophobicContact CB-CG 3.97Å; K100-E405 PolarHBondContact N-OE1 2.89Å
101	P	97.6	Very high	95.3	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.032	24%	0.237	C	C	.	.			trans	-61.4	145	179.4	-19.9	31	0	0	0	112.2	V88 F96 R99 L109 Y110 T111	V88-P101 HydrophobicContact CG2-CB 4.5Å; V88-P101 HydrophobicContact CG2-CG 3.97Å; F96-P101 HydrophobicContact CD1-CG 3.5Å; F96-P101 VanDerWaalsContact CD1-CG 3.5Å; F96-P101 HydrophobicContact CE1-CG 3.89Å; F96-P101 HydrophobicContact CG-CG 4.45Å; R99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-L109 HydrophobicContact CB-CD1 3.84Å; P101-L109 HydrophobicContact CB-CD2 3.94Å; P101-L109 HydrophobicContact CB-CG 3.88Å; P101-Y110 WeakPolarHBondContact CA-O 3.43Å; P101-T111 HydrophobicContact CB-CG2 3.89Å; P101-T111 HydrophobicContact CG-CG2 3.93Å
102	V	98.2	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.1	169.1	-62.4	0	0	0	0	110	L109 Y110 V173 V174 H177 Y402 F406	V102-L109 CarbonylContact O-C 3.56Å; V102-L109 VanDerWaalsContact O-CA 3.3Å; V102-L109 WeakPolarHBondContact O-CA 3.47Å; V102-Y110 HydrophobicContact CG2-CD2 4.31Å; V102-Y110 PolarHBondContact N-O 3.17Å; V102-Y110 PolarHBondContact O-N 3.38Å; V102-V173 HydrophobicContact CB-CG1 4.32Å; V102-V173 HydrophobicContact CG2-CG1 4.07Å; V102-V174 HydrophobicContact CG2-CB 4.44Å; V102-V174 HydrophobicContact CG2-CG2 3.72Å; V102-H177 HydrophobicContact CB-CB 3.91Å; V102-H177 HydrophobicContact CG1-CB 3.79Å; V102-Y402 HydrophobicContact CG1-CD1 3.88Å; V102-Y402 HydrophobicContact CG1-CG 4.19Å; V102-F406 HydrophobicContact CB-CE2 4.45Å; V102-F406 HydrophobicContact CG1-CD2 4.45Å; V102-F406 HydrophobicContact CG1-CE2 3.82Å; V102-F406 HydrophobicContact CG1-CZ 4.49Å; V102-F406 HydrophobicContact CG2-CE2 3.9Å; V102-F406 HydrophobicContact CG2-CZ 3.71Å
103	Y	97.9	Very high	95.5	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141	-170.8	179.9	-131.6	0	0	0	112	I68 N80 R81 V84 G105 R106 N108 L109 H177	I68-Y103 HydrophobicContact CB-CE2 4.12Å; I68-Y103 HydrophobicContact CG1-CE2 4.24Å; I68-Y103 HydrophobicContact CG2-CE2 4.35Å; N80-Y103 HydrophobicContact CB-CE1 4.08Å; R81-Y103 HydrophobicContact CG-CD1 4.11Å; R81-Y103 HydrophobicContact CG-CE1 4.47Å; R81-Y103 VanDerWaalsContact CZ-O 3.31Å; R81-Y103 PolarHBondContact NH1-O 2.95Å; R81-Y103 PolarHBondContact NH2-O 3.15Å; V84-Y103 HydrophobicContact CB-CD1 3.84Å; V84-Y103 HydrophobicContact CB-CE1 4.09Å; V84-Y103 HydrophobicContact CB-CG 4.42Å; V84-Y103 HydrophobicContact CG1-CD1 4.08Å; V84-Y103 HydrophobicContact CG1-CG 4.17Å; V84-Y103 HydrophobicContact CG2-CD1 3.7Å; V84-Y103 HydrophobicContact CG2-CE1 3.49Å; V84-Y103 VanDerWaalsContact CG2-CE1 3.49Å; V84-Y103 HydrophobicContact CG2-CE2 4.47Å; V84-Y103 HydrophobicContact CG2-CG 4.25Å; Y103-G105 VanDerWaalsContact C-N 3.33Å; Y103-G105 VanDerWaalsContact CZ-C 3.49Å; Y103-R106 PolarHBondContact OH-N 3.27Å; Y103-R106 PolarHBondContact OH-O 2.86Å; Y103-N108 WeakPolarHBondContact CA-O 3.36Å; Y103-N108 VanDerWaalsContact CD2-O 3.23Å; Y103-N108 WeakPolarHBondContact CD2-O 3.42Å; Y103-L109 HydrophobicContact CD2-CB 4.24Å; Y103-H177 PolarHBondContact N-ND1 3.43Å
104	D	95.1	Very high	95.7	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.112	22%	0.218	C	C	.	.			trans	-83.3	-7.5	179.6	81.1	-21.9	0	0	0	113.9	R81 R106 K107 N108 V173	R81-D104 PolarHBondContact NH2-O 2.97Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 WeakPolarHBondContact OD1-CA 3.3Å; D104-R106 PolarHBondContact OD1-N 2.88Å; D104-K107 PolarHBondContact OD1-N 2.92Å; D104-N108 HydrophobicContact CB-CB 4.28Å; D104-N108 PolarHBondContact N-O 3.04Å; D104-N108 PolarHBondContact OD1-N 3.44Å; D104-N108 PolarHBondContact OD2-ND2 3.42Å; D104-V173 HydrophobicContact CB-CG1 4.23Å; D104-V173 HydrophobicContact CB-CG2 3.76Å
105	G	94.3	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	84.1	6.2	-177.6	0	0	0	0	0	114	N80 Y103	N80-G105 WeakPolarHBondContact CB-O 3.46Å; N80-G105 PolarHBondContact ND2-O 3.35Å; N80-G105 VanDerWaalsContact ND2-O 3.16Å; Y103-G105 VanDerWaalsContact C-N 3.33Å; Y103-G105 VanDerWaalsContact CZ-C 3.49Å
106	R	93.8	Very high	95.9	Very high	147 Å²	147	42.7 Å²	42.7	56%	0.555	22%	0.216	S	C	*	.	S	Bend	trans	-126.2	-75.5	178.4	-72.5	-171.4	170.1	162.3	1.5	112.6	R77 Y103 D104	R77-R106 HydrophobicContact CG-CG 4.25Å; R77-R106 VanDerWaalsContact NE-NE 3.12Å; Y103-R106 PolarHBondContact OH-N 3.27Å; Y103-R106 PolarHBondContact OH-O 2.86Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 WeakPolarHBondContact OD1-CA 3.3Å; D104-R106 PolarHBondContact OD1-N 2.88Å
107	K	95.6	Very high	95.7	Very high	101 Å²	101	43.7 Å²	43.7	44%	0.439	22%	0.221	S	C	.	.	S	Bend	trans	-143.8	-14	-170	-69.9	-158.7	170.1	-159.2	0	113.4	D67 I68 D104	D67-K107 CarbonylContact C-O 3.59Å; D67-K107 VanDerWaalsContact CA-O 3.27Å; D67-K107 WeakPolarHBondContact CA-O 3.26Å; I68-K107 PolarHBondContact N-O 2.93Å; I68-K107 WeakPolarHBondContact O-CA 3.43Å; D104-K107 PolarHBondContact OD1-N 2.92Å
108	N	97.3	Very high	95.4	Very high	31 Å²	31	45 Å²	45	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.4	-171.4	-56.5	-68.1	0	0	0	110.3	H65 Y103 D104 Y110	H65-N108 PolarHBondContact NE2-OD1 3.31Å; Y103-N108 WeakPolarHBondContact CA-O 3.36Å; Y103-N108 VanDerWaalsContact CD2-O 3.23Å; Y103-N108 WeakPolarHBondContact CD2-O 3.42Å; D104-N108 HydrophobicContact CB-CB 4.28Å; D104-N108 PolarHBondContact N-O 3.04Å; D104-N108 PolarHBondContact OD1-N 3.44Å; D104-N108 PolarHBondContact OD2-ND2 3.42Å; N108-Y110 HydrophobicContact CB-CE2 3.78Å
109	L	98.3	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.9	171.7	179.8	143.8	0	0	0	109.7	Y66 I68 V84 P101 V102 Y103 T111 L115	Y66-L109 HydrophobicContact CD2-CD2 3.71Å; Y66-L109 HydrophobicContact CG-CD2 4.19Å; Y66-L109 PolarHBondContact N-O 2.82Å; Y66-L109 PolarHBondContact O-N 2.79Å; I68-L109 HydrophobicContact CD1-CB 3.96Å; I68-L109 HydrophobicContact CD1-CD1 3.99Å; I68-L109 HydrophobicContact CD1-CG 4.47Å; I68-L109 HydrophobicContact CG1-CB 3.52Å; I68-L109 HydrophobicContact CG1-CD1 4.18Å; I68-L109 HydrophobicContact CG1-CG 4.45Å; V84-L109 HydrophobicContact CG1-CD1 3.99Å; P101-L109 HydrophobicContact CB-CD1 3.84Å; P101-L109 HydrophobicContact CB-CD2 3.94Å; P101-L109 HydrophobicContact CB-CG 3.88Å; V102-L109 CarbonylContact O-C 3.56Å; V102-L109 VanDerWaalsContact O-CA 3.3Å; V102-L109 WeakPolarHBondContact O-CA 3.47Å; Y103-L109 HydrophobicContact CD2-CB 4.24Å; L109-T111 HydrophobicContact CD2-CG2 3.99Å; L109-L115 HydrophobicContact CD2-CD1 4.43Å
110	Y	98.3	Very high	94.9	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.2	179.5	-55.3	-88.9	0	0	0	111.1	V63 Y64 H65 P101 V102 N108 V147 A170 V173	V63-Y110 HydrophobicContact CG1-CD1 3.93Å; V63-Y110 HydrophobicContact CG1-CG 4.33Å; Y64-Y110 VanDerWaalsContact O-CA 3.24Å; Y64-Y110 WeakPolarHBondContact O-CA 3.24Å; H65-Y110 HydrophobicContact CB-CD1 3.88Å; H65-Y110 HydrophobicContact CB-CE1 3.72Å; H65-Y110 AromaticContact CD2-CE1 3.52Å; H65-Y110 AromaticContact CD2-CZ 3.79Å; H65-Y110 AromaticContact CG-CE1 3.68Å; P101-Y110 WeakPolarHBondContact CA-O 3.43Å; V102-Y110 HydrophobicContact CG2-CD2 4.31Å; V102-Y110 PolarHBondContact N-O 3.17Å; V102-Y110 PolarHBondContact O-N 3.38Å; N108-Y110 HydrophobicContact CB-CE2 3.78Å; Y110-V147 HydrophobicContact CE1-CG2 4.43Å; Y110-A170 HydrophobicContact CD1-CB 3.97Å; Y110-A170 HydrophobicContact CE1-CB 3.75Å; Y110-A170 HydrophobicContact CE2-CB 4.5Å; Y110-A170 HydrophobicContact CG-CB 4.43Å; Y110-V173 HydrophobicContact CD2-CB 4.19Å; Y110-V173 HydrophobicContact CD2-CG1 3.93Å; Y110-V173 HydrophobicContact CE2-CB 4.06Å; Y110-V173 HydrophobicContact CE2-CG1 4.11Å; Y110-V173 HydrophobicContact CE2-CG2 4.09Å
111	T	97.9	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150	172.1	63.9	0	0	0	0	110.9	Y64 Y66 P101 L109 M113 L115	Y64-T111 PolarHBondContact N-O 3.3Å; Y64-T111 PolarHBondContact O-N 3.1Å; Y66-T111 HydrophobicContact CE2-CG2 4.18Å; Y66-T111 WeakPolarHBondContact CE2-OG1 3.25Å; P101-T111 HydrophobicContact CB-CG2 3.89Å; P101-T111 HydrophobicContact CG-CG2 3.93Å; L109-T111 HydrophobicContact CD2-CG2 3.99Å; T111-M113 VanDerWaalsContact C-N 3.34Å; T111-M113 VanDerWaalsContact CB-O 3.3Å; T111-M113 WeakPolarHBondContact CB-O 3.4Å; T111-M113 PolarHBondContact OG1-O 3.4Å; T111-L115 HydrophobicContact CG2-CD1 4.35Å; T111-L115 HydrophobicContact CG2-CD2 4.1Å; T111-L115 HydrophobicContact CG2-CG 4.14Å
112	A	95.7	Very high	94.6	Very high	10 Å²	10	52.9 Å²	52.9	8%	0.083	27%	0.268	C	S	.	.	S	Bend	trans	-73.9	-26.9	175.4	0	0	0	0	0	112.6	E405 F406	A112-E405 HydrophobicContact CB-CG 4.21Å; A112-E405 WeakPolarHBondContact CB-O 3.27Å; A112-F406 HydrophobicContact CB-CD1 4.32Å; A112-F406 HydrophobicContact CB-CE1 4.42Å; A112-F406 HydrophobicContact CB-CG 4.41Å
113	M	94.8	Very high	94.5	Very high	111 Å²	111	58.9 Å²	58.9	55%	0.547	30%	0.297	S	S	.	.	S	Bend	trans	-126.9	151.3	177.6	-67.7	-60.8	-74.2	0	0	110.3	R99 T111	R99-M113 HydrophobicContact CG-CB 4.44Å; T111-M113 VanDerWaalsContact C-N 3.34Å; T111-M113 VanDerWaalsContact CB-O 3.3Å; T111-M113 WeakPolarHBondContact CB-O 3.4Å; T111-M113 PolarHBondContact OG1-O 3.4Å
114	P	95.5	Very high	94.3	Very high	50 Å²	50	59.6 Å²	59.6	33%	0.325	30%	0.3	S	S	.	.			trans	-65	145	-175.1	24.6	-30	0	0	0	111.5	Y64 R99	Y64-P114 HydrophobicContact CD1-CB 3.85Å; Y64-P114 HydrophobicContact CE1-CB 3.62Å; Y64-P114 HydrophobicContact CE1-CG 4.09Å; Y64-P114 HydrophobicContact CE2-CB 4.35Å; Y64-P114 VanDerWaalsContact CE2-CD 3.5Å; Y64-P114 HydrophobicContact CE2-CG 4.36Å; Y64-P114 HydrophobicContact CG-CB 4.3Å; R99-P114 PolarHBondContact NE-O 3.25Å; R99-P114 PolarHBondContact NH2-O 3.01Å
115	L	95.9	Very high	94.3	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	32%	0.321	C	S	.	.			trans	-82.3	146.8	172	-65.7	-179.8	0	0	0	110	Y66 I95 F96 L109 T111 I117	Y66-L115 HydrophobicContact CD1-CD1 4.23Å; Y66-L115 HydrophobicContact CD2-CD1 4.24Å; Y66-L115 HydrophobicContact CE1-CB 4.06Å; Y66-L115 HydrophobicContact CE1-CD1 3.97Å; Y66-L115 HydrophobicContact CE1-CG 4.19Å; Y66-L115 HydrophobicContact CE2-CD1 3.98Å; Y66-L115 HydrophobicContact CE2-CG 4.06Å; Y66-L115 HydrophobicContact CG-CD1 4.37Å; Y66-L115 PolarHBondContact OH-N 2.95Å; I95-L115 HydrophobicContact CG2-CD1 4.24Å; I95-L115 HydrophobicContact CG2-CD2 4.21Å; F96-L115 HydrophobicContact CD1-CD2 3.95Å; F96-L115 HydrophobicContact CE1-CD1 4.15Å; F96-L115 HydrophobicContact CE1-CD2 4.4Å; L109-L115 HydrophobicContact CD2-CD1 4.43Å; T111-L115 HydrophobicContact CG2-CD1 4.35Å; T111-L115 HydrophobicContact CG2-CD2 4.1Å; T111-L115 HydrophobicContact CG2-CG 4.14Å; L115-I117 HydrophobicContact CB-CD1 4.24Å; L115-I117 HydrophobicContact CB-CG1 4.01Å; L115-I117 HydrophobicContact CB-CG2 4.45Å; L115-I117 HydrophobicContact CD1-CD1 4.3Å; L115-I117 PolarHBondContact O-N 3.32Å
116	P	94.2	Very high	94.2	Very high	88 Å²	88	64.4 Å²	64.4	57%	0.571	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	48.2	-178	36.3	-37.3	0	0	0	112.4	I95	I95-P116 WeakPolarHBondContact O-CD 3.42Å
117	I	88.9	Confident	94	Very high	21 Å²	21	61 Å²	61	11%	0.108	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-3.1	-174.8	64.6	175.5	0	0	0	113.9	Y66 I95 L115 V122 I141	Y66-I117 HydrophobicContact CD1-CD1 3.81Å; Y66-I117 HydrophobicContact CE1-CD1 3.79Å; Y66-I117 HydrophobicContact CE1-CG1 4.2Å; I95-I117 HydrophobicContact CG1-CG2 4.42Å; I95-I117 HydrophobicContact CG2-CG2 4.04Å; L115-I117 HydrophobicContact CB-CD1 4.24Å; L115-I117 HydrophobicContact CB-CG1 4.01Å; L115-I117 HydrophobicContact CB-CG2 4.45Å; L115-I117 HydrophobicContact CD1-CD1 4.3Å; L115-I117 PolarHBondContact O-N 3.32Å; I117-V122 HydrophobicContact CB-CG2 3.77Å; I117-V122 HydrophobicContact CG2-CG2 3.87Å; I117-I141 HydrophobicContact CD1-CB 4.3Å; I117-I141 HydrophobicContact CD1-CG2 3.64Å
118	G	89.1	Confident	93.6	Very high	54 Å²	54	56.4 Å²	56.4	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	-142.8	-175.3	0	0	0	0	0	112.5
119	R	90.3	Very high	92.8	Very high	185 Å²	185	59.2 Å²	59.2	70%	0.698	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-10.5	175.6	-65.5	-172.2	177.3	-174	0.3	113.5	W143	R119-W143 HydrophobicContact CG-CE3 3.92Å; R119-W143 HydrophobicContact CG-CZ3 4.35Å
120	D	88.4	Confident	91.2	Very high	131 Å²	131	60.3 Å²	60.3	70%	0.701	33%	0.33	S	S	*	.	S	Bend	trans	-75.4	154.8	-177.9	-66	-41	0	0	0	111.2
121	K	92.7	Very high	89.4	Confident	103 Å²	103	65.3 Å²	65.3	45%	0.448	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-76.8	124.5	177.9	-177.1	-171.3	177.4	-160.1	0	108.8	E123 A140 I141	K121-E123 WeakPolarHBondContact CE-OE1 3.34Å; K121-E123 IonicContact NZ-OE1 3.71Å; K121-E123 PolarHBondContact NZ-OE1 3.31Å; K121-A140 HydrophobicContact CD-CB 4.15Å; K121-A140 HydrophobicContact CG-CB 4.01Å; K121-I141 WeakPolarHBondContact CA-O 3.39Å
122	V	94.8	Very high	87.6	Confident	41 Å²	41	67.8 Å²	67.8	25%	0.248	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.4	173.2	179.6	0	0	0	0	109	I95 I117 L124 A140 I141	I95-V122 HydrophobicContact CD1-CG1 4.23Å; I117-V122 HydrophobicContact CB-CG2 3.77Å; I117-V122 HydrophobicContact CG2-CG2 3.87Å; V122-L124 HydrophobicContact CG1-CD2 3.99Å; V122-L124 HydrophobicContact CG1-CG 4.29Å; V122-A140 CarbonylContact O-C 3.57Å; V122-A140 VanDerWaalsContact O-CA 3.29Å; V122-A140 WeakPolarHBondContact O-CA 3.48Å; V122-I141 PolarHBondContact N-O 3.49Å; V122-I141 PolarHBondContact O-N 3.47Å
123	E	95.8	Very high	86.5	Confident	126 Å²	126	75.8 Å²	75.8	59%	0.589	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	175.9	-61.4	-164.9	164.5	0	0	110.6	K121 A140	K121-E123 WeakPolarHBondContact CE-OE1 3.34Å; K121-E123 IonicContact NZ-OE1 3.71Å; K121-E123 PolarHBondContact NZ-OE1 3.31Å; E123-A140 HydrophobicContact CG-CB 4.2Å
124	L	94.5	Very high	85.9	Confident	15 Å²	15	76 Å²	76	8%	0.079	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.8	-176.6	-58.3	174.5	0	0	0	109.4	M87 F91 I95 V122 V126 V139 I141	M87-L124 HydrophobicContact CG-CD1 3.91Å; M87-L124 HydrophobicContact SD-CD1 3.75Å; F91-L124 HydrophobicContact CD1-CD2 3.96Å; F91-L124 HydrophobicContact CD2-CD1 4.15Å; F91-L124 HydrophobicContact CE1-CD2 3.85Å; F91-L124 HydrophobicContact CE2-CB 4.06Å; F91-L124 HydrophobicContact CE2-CD1 4.45Å; F91-L124 HydrophobicContact CE2-CD2 4.48Å; F91-L124 HydrophobicContact CG-CD1 4.28Å; F91-L124 HydrophobicContact CG-CD2 4.34Å; F91-L124 HydrophobicContact CZ-CB 4.14Å; F91-L124 HydrophobicContact CZ-CD2 4.12Å; I95-L124 HydrophobicContact CD1-CD1 3.71Å; I95-L124 HydrophobicContact CD1-CD2 3.8Å; I95-L124 HydrophobicContact CD1-CG 4.29Å; V122-L124 HydrophobicContact CG1-CD2 3.99Å; V122-L124 HydrophobicContact CG1-CG 4.29Å; L124-V126 HydrophobicContact CB-CG2 4.49Å; L124-V139 PolarHBondContact N-O 3.42Å; L124-V139 PolarHBondContact O-N 3.14Å; L124-I141 HydrophobicContact CD1-CD1 3.73Å; L124-I141 HydrophobicContact CD1-CG1 4.34Å
125	E	94.4	Very high	85.4	Confident	119 Å²	119	78.5 Å²	78.5	56%	0.556	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.2	170.4	-167.6	163.8	-166.5	0	0	109.2	F91 F137	F91-E125 WeakPolarHBondContact CZ-O 3.38Å; E125-F137 WeakPolarHBondContact CA-O 3.48Å
126	V	92.3	Very high	85.2	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.018	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.4	-175.2	-176.6	0	0	0	0	108.7	I83 H86 M87 F91 L124 I128 S136 F137 V139	I83-V126 HydrophobicContact CG2-CB 4.34Å; I83-V126 HydrophobicContact CG2-CG1 4.15Å; H86-V126 HydrophobicContact CB-CG1 4.25Å; M87-V126 HydrophobicContact CB-CG1 4.21Å; M87-V126 HydrophobicContact CB-CG2 3.71Å; M87-V126 HydrophobicContact CG-CG2 3.73Å; M87-V126 HydrophobicContact SD-CG2 4.28Å; F91-V126 HydrophobicContact CE2-CG2 4.12Å; L124-V126 HydrophobicContact CB-CG2 4.49Å; V126-I128 HydrophobicContact CG1-CG2 4.45Å; V126-S136 CarbonylContact O-C 3.47Å; V126-F137 PolarHBondContact N-O 3.2Å; V126-F137 PolarHBondContact O-N 3.11Å; V126-V139 HydrophobicContact CB-CG2 4.18Å; V126-V139 HydrophobicContact CG2-CB 4.2Å; V126-V139 HydrophobicContact CG2-CG2 3.69Å
127	T	90.1	Very high	85.2	Confident	77 Å²	77	77.6 Å²	77.6	47%	0.472	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.2	177	-57.7	0	0	0	0	109.6	D134 R135	T127-D134 HydrophobicContact CG2-CB 3.7Å; T127-R135 WeakPolarHBondContact CA-O 3.43Å
128	I	86.3	Confident	85.5	Confident	4 Å²	4	82.8 Å²	82.8	2%	0.021	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.7	172.6	63.5	178.2	0	0	0	110.3	V79 I83 H86 V126 G130 R135 F137	V79-I128 HydrophobicContact CG1-CD1 4.37Å; I83-I128 HydrophobicContact CG1-CD1 3.95Å; I83-I128 HydrophobicContact CG1-CG2 4.32Å; H86-I128 HydrophobicContact CB-CG2 4.03Å; V126-I128 HydrophobicContact CG1-CG2 4.45Å; I128-G130 PolarHBondContact O-N 3.4Å; I128-R135 HydrophobicContact CG1-CB 4.06Å; I128-R135 PolarHBondContact N-O 3.32Å; I128-R135 PolarHBondContact O-N 3.45Å; I128-F137 HydrophobicContact CD1-CD2 4.22Å; I128-F137 HydrophobicContact CD1-CE2 3.47Å; I128-F137 VanDerWaalsContact CD1-CE2 3.47Å; I128-F137 HydrophobicContact CD1-CZ 4.15Å; I128-F137 HydrophobicContact CG1-CD2 4.14Å; I128-F137 HydrophobicContact CG1-CE2 3.62Å
129	P	79.8	Confident	85.8	Confident	89 Å²	89	80.2 Å²	80.2	58%	0.578	41%	0.409	S	S	*	.			trans	-61.5	131.1	175.1	23	-30.3	0	0	0	110
130	G	66.2	Low	86.1	Confident	24 Å²	24	71.7 Å²	71.7	25%	0.247	38%	0.378	C	S	.	.			trans	-110.9	165	176	0	0	0	0	0	112.6	I128 G132 K133	I128-G130 PolarHBondContact O-N 3.4Å; G130-G132 PolarHBondContact O-N 3.31Å; G130-K133 VanDerWaalsContact CA-O 3.24Å; G130-K133 WeakPolarHBondContact CA-O 3.19Å
131	E	59.5	Low	86.5	Confident	109 Å²	109	65.5 Å²	65.5	51%	0.509	35%	0.345	S	S	.	.	S	Bend	trans	-71.6	77	172.8	-68.2	174.6	-175	0	0	109.7	K285 R286 K287	E131-K285 VanDerWaalsContact OE2-C 3.27Å; E131-R286 WeakPolarHBondContact OE2-CA 3.42Å; E131-K287 IonicContact OE1-NZ 3.67Å
132	G	61.3	Low	86.7	Confident	52 Å²	52	65.7 Å²	65.7	54%	0.536	35%	0.346	S	S	.	.	S	Bend	trans	114.6	-33.5	175.5	0	0	0	0	0	116.3	G130	G130-G132 PolarHBondContact O-N 3.31Å
133	K	71.2	Confident	86.9	Confident	179 Å²	179	66.9 Å²	66.9	78%	0.778	35%	0.346	S	S	*	.	S	Bend	trans	-138.9	137.5	172.7	-80.8	-171.2	175.8	-174.3	0	109.7	G130	G130-K133 VanDerWaalsContact CA-O 3.24Å; G130-K133 WeakPolarHBondContact CA-O 3.19Å
134	D	82.4	Confident	86.9	Confident	115 Å²	115	64.1 Å²	64.1	62%	0.615	34%	0.337	S	S	*	.			trans	-59.2	145.6	171	-67.4	-15.2	0	0	0	110.6	T127	T127-D134 HydrophobicContact CG2-CB 3.7Å
135	R	86.5	Confident	86.9	Confident	102 Å²	102	64.8 Å²	64.8	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.5	-179.8	-64.4	-178.7	-68.3	163.4	-1.6	108.3	T127 I128 F137	T127-R135 WeakPolarHBondContact CA-O 3.43Å; I128-R135 HydrophobicContact CG1-CB 4.06Å; I128-R135 PolarHBondContact N-O 3.32Å; I128-R135 PolarHBondContact O-N 3.45Å; R135-F137 HydrophobicContact CB-CD2 4.4Å; R135-F137 HydrophobicContact CB-CE2 3.52Å; R135-F137 HydrophobicContact CB-CZ 4.09Å; R135-F137 WeakPolarHBondContact O-CD2 3.13Å
136	S	89.8	Confident	86.9	Confident	71 Å²	71	61.5 Å²	61.5	50%	0.497	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.4	172.2	58.6	0	0	0	0	111.1	V126	V126-S136 CarbonylContact O-C 3.47Å
137	F	94.1	Very high	87	Confident	9 Å²	9	61.6 Å²	61.6	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.3	179.4	-67.3	-90.5	0	0	0	109.2	I70 P72 I83 E125 V126 I128 R135 V139	I70-F137 HydrophobicContact CG2-CD1 4.07Å; P72-F137 HydrophobicContact CG-CE1 4.22Å; I83-F137 HydrophobicContact CD1-CB 4.46Å; I83-F137 HydrophobicContact CD1-CD1 3.54Å; I83-F137 HydrophobicContact CD1-CD2 3.9Å; I83-F137 HydrophobicContact CD1-CE1 3.63Å; I83-F137 HydrophobicContact CD1-CE2 3.98Å; I83-F137 HydrophobicContact CD1-CG 3.68Å; I83-F137 HydrophobicContact CD1-CZ 3.85Å; I83-F137 HydrophobicContact CG1-CD1 4.49Å; I83-F137 HydrophobicContact CG1-CD2 4.01Å; I83-F137 HydrophobicContact CG1-CE2 4.19Å; I83-F137 HydrophobicContact CG1-CG 4.18Å; I83-F137 HydrophobicContact CG2-CB 4.37Å; E125-F137 WeakPolarHBondContact CA-O 3.48Å; V126-F137 PolarHBondContact N-O 3.2Å; V126-F137 PolarHBondContact O-N 3.11Å; I128-F137 HydrophobicContact CD1-CD2 4.22Å; I128-F137 HydrophobicContact CD1-CE2 3.47Å; I128-F137 VanDerWaalsContact CD1-CE2 3.47Å; I128-F137 HydrophobicContact CD1-CZ 4.15Å; I128-F137 HydrophobicContact CG1-CD2 4.14Å; I128-F137 HydrophobicContact CG1-CE2 3.62Å; R135-F137 HydrophobicContact CB-CD2 4.4Å; R135-F137 HydrophobicContact CB-CE2 3.52Å; R135-F137 HydrophobicContact CB-CZ 4.09Å; R135-F137 WeakPolarHBondContact O-CD2 3.13Å; F137-V139 HydrophobicContact CB-CG2 4.38Å
138	K	95.4	Very high	87.1	Confident	130 Å²	130	60 Å²	60	57%	0.565	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	118.7	167.8	-65.7	-172.9	177	-168.5	0	108.1	K71	K71-K138 HydrophobicContact CB-CB 4.4Å; K71-K138 PolarHBondContact N-O 3.26Å; K71-K138 PolarHBondContact O-N 3.32Å
139	V	96.6	Very high	87.4	Confident	1 Å²	1	60 Å²	60	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	-180	-173.2	0	0	0	0	108.6	I68 D69 I70 I83 M87 L124 V126 F137	I68-V139 HydrophobicContact CG2-CG1 3.92Å; D69-V139 CarbonylContact O-C 3.46Å; D69-V139 VanDerWaalsContact O-CA 3.29Å; D69-V139 WeakPolarHBondContact O-CA 2.9Å; I70-V139 HydrophobicContact CG1-CG1 4.22Å; I70-V139 HydrophobicContact CG1-CG2 4.33Å; I83-V139 HydrophobicContact CG2-CG2 3.68Å; M87-V139 HydrophobicContact CE-CG1 4.37Å; M87-V139 HydrophobicContact SD-CB 3.98Å; M87-V139 HydrophobicContact SD-CG1 3.52Å; M87-V139 VanDerWaalsContact SD-CG1 3.52Å; L124-V139 PolarHBondContact N-O 3.42Å; L124-V139 PolarHBondContact O-N 3.14Å; V126-V139 HydrophobicContact CB-CG2 4.18Å; V126-V139 HydrophobicContact CG2-CB 4.2Å; V126-V139 HydrophobicContact CG2-CG2 3.69Å; F137-V139 HydrophobicContact CB-CG2 4.38Å
140	A	96.3	Very high	88	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.8	172.9	0	0	0	0	0	111.8	I68 D69 K121 V122 E123	I68-A140 WeakPolarHBondContact CA-O 3.44Å; D69-A140 HydrophobicContact CB-CB 4.27Å; D69-A140 PolarHBondContact N-O 3.37Å; D69-A140 PolarHBondContact O-N 3.15Å; K121-A140 HydrophobicContact CD-CB 4.15Å; K121-A140 HydrophobicContact CG-CB 4.01Å; V122-A140 CarbonylContact O-C 3.57Å; V122-A140 VanDerWaalsContact O-CA 3.29Å; V122-A140 WeakPolarHBondContact O-CA 3.48Å; E123-A140 HydrophobicContact CG-CB 4.2Å
141	I	97.4	Very high	89.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.2	177.8	-47.2	-177.3	0	0	0	108.1	Y66 I68 M87 F96 I117 K121 V122 L124	Y66-I141 HydrophobicContact CD1-CG2 4.17Å; Y66-I141 HydrophobicContact CG-CG2 4.35Å; I68-I141 HydrophobicContact CD1-CB 4.11Å; I68-I141 HydrophobicContact CD1-CD1 4.37Å; I68-I141 HydrophobicContact CD1-CG1 3.72Å; I68-I141 HydrophobicContact CD1-CG2 3.88Å; M87-I141 HydrophobicContact CE-CD1 3.9Å; M87-I141 HydrophobicContact SD-CD1 3.89Å; M87-I141 HydrophobicContact SD-CG1 4.36Å; F96-I141 HydrophobicContact CE1-CD1 4.43Å; F96-I141 HydrophobicContact CZ-CD1 3.78Å; I117-I141 HydrophobicContact CD1-CB 4.3Å; I117-I141 HydrophobicContact CD1-CG2 3.64Å; K121-I141 WeakPolarHBondContact CA-O 3.39Å; V122-I141 PolarHBondContact N-O 3.49Å; V122-I141 PolarHBondContact O-N 3.47Å; L124-I141 HydrophobicContact CD1-CD1 3.73Å; L124-I141 HydrophobicContact CD1-CG1 4.34Å
142	K	97.1	Very high	90.6	Very high	108 Å²	108	53.4 Å²	53.4	47%	0.47	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.9	175.9	-171.8	-175.1	175.5	-178.7	0	110.5	Y66 D67	Y66-K142 CarbonylContact C-O 3.52Å; Y66-K142 WeakPolarHBondContact CA-O 3.48Å; D67-K142 PolarHBondContact N-O 2.9Å; D67-K142 PolarHBondContact O-N 3.28Å
143	W	97.4	Very high	92	Very high	66 Å²	66	53.2 Å²	53.2	25%	0.25	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.3	171.4	179.9	85.3	0	0	0	111.1	Y66 R119 S145	Y66-W143 HydrophobicContact CD1-CB 3.98Å; Y66-W143 HydrophobicContact CE1-CB 3.93Å; Y66-W143 AromaticContact CE1-CD1 3.78Å; Y66-W143 HydrophobicContact CE1-CG 4.28Å; R119-W143 HydrophobicContact CG-CE3 3.92Å; R119-W143 HydrophobicContact CG-CZ3 4.35Å; W143-S145 PolarHBondContact NE1-O 3.49Å
144	V	95.4	Very high	92.9	Very high	67 Å²	67	47.5 Å²	47.5	41%	0.406	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-57.9	-177.2	178.9	0	0	0	0	111.3	H65 D67	H65-V144 PolarHBondContact O-N 2.87Å; D67-V144 HydrophobicContact CB-CG2 3.63Å
145	S	95.1	Very high	93.3	Very high	29 Å²	29	42.1 Å²	42.1	20%	0.203	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	169.2	-171.2	67	0	0	0	0	111.9	H65 W143	H65-S145 PolarHBondContact N-O 3.21Å; H65-S145 PolarHBondContact ND1-OG 3.37Å; H65-S145 PolarHBondContact O-N 2.97Å; W143-S145 PolarHBondContact NE1-O 3.49Å
146	C	94.4	Very high	93.4	Very high	50 Å²	50	38 Å²	38	34%	0.338	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.4	167.4	-165.4	0	0	0	0	109.3	E62	E62-C146 WeakPolarHBondContact CB-SG 3.47Å; E62-C146 VanDerWaalsContact CG-SG 3.58Å; E62-C146 PolarHBondContact OE2-SG 2.92Å
147	V	93.9	Very high	93.3	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.7	-177.9	177.2	0	0	0	0	108.4	V63 H65 Y110 L149 T167 A170	V63-V147 HydrophobicContact CB-CB 4.16Å; V63-V147 PolarHBondContact N-O 2.71Å; V63-V147 PolarHBondContact O-N 3.21Å; H65-V147 HydrophobicContact CB-CG2 4.3Å; Y110-V147 HydrophobicContact CE1-CG2 4.43Å; V147-L149 PolarHBondContact O-N 3.07Å; V147-T167 HydrophobicContact CG1-CG2 3.78Å; V147-T167 WeakPolarHBondContact CG1-OG1 3.28Å; V147-A170 HydrophobicContact CG1-CB 4.23Å
148	S	93.6	Very high	92.8	Very high	44 Å²	44	40.3 Å²	40.3	31%	0.308	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115	-179.1	178.9	0	0	0	0	111.7	Q150 A151	S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact OG-N 2.77Å; S148-A151 PolarHBondContact OG-N 3.23Å
149	L	92.4	Very high	92.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-74.9	-20.4	169.7	-59.9	178.1	0	0	0	112	I58 P59 L61 V63 V147 L152 H153 T167 L171	I58-L149 HydrophobicContact CG2-CB 4.19Å; I58-L149 HydrophobicContact CG2-CD1 3.8Å; I58-L149 HydrophobicContact CG2-CD2 4.07Å; I58-L149 HydrophobicContact CG2-CG 4.25Å; P59-L149 HydrophobicContact CG-CD1 4.34Å; P59-L149 VanDerWaalsContact O-CB 3.3Å; P59-L149 WeakPolarHBondContact O-CB 3.26Å; P59-L149 WeakPolarHBondContact O-CD1 3.25Å; L61-L149 HydrophobicContact CD1-CD1 3.63Å; L61-L149 HydrophobicContact CD1-CG 4.48Å; L61-L149 HydrophobicContact CG-CD1 3.91Å; L61-L149 VanDerWaalsContact O-CB 3.3Å; L61-L149 WeakPolarHBondContact O-CB 3.3Å; L61-L149 WeakPolarHBondContact O-CG 3.48Å; L61-L149 PolarHBondContact O-N 3.03Å; L61-L149 VanDerWaalsContact O-N 3.13Å; V63-L149 HydrophobicContact CG2-CD1 3.87Å; V63-L149 HydrophobicContact CG2-CD2 4.42Å; V63-L149 HydrophobicContact CG2-CG 4.06Å; V147-L149 PolarHBondContact O-N 3.07Å; L149-L152 WeakPolarHBondContact O-CB 3.19Å; L149-L152 PolarHBondContact O-N 3.1Å; L149-H153 PolarHBondContact O-CD2 3.13Å; L149-H153 VanDerWaalsContact O-CD2 3.27Å; L149-H153 PolarHBondContact O-N 2.79Å; L149-T167 HydrophobicContact CD2-CG2 3.56Å; L149-L171 HydrophobicContact CD2-CD1 4.35Å; L149-L171 HydrophobicContact CD2-CD2 4.04Å; L149-L171 HydrophobicContact CD2-CG 4.18Å
150	Q	91.5	Very high	91.9	Very high	59 Å²	59	46.4 Å²	46.4	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-43.5	172.1	176.5	59.6	27.7	0	0	111.1	R60 S148 L152 H153 E154	R60-Q150 VanDerWaalsContact CG-OE1 3.3Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact OG-N 2.77Å; Q150-L152 PolarHBondContact O-N 3.16Å; Q150-H153 WeakPolarHBondContact O-CB 3.44Å; Q150-H153 PolarHBondContact O-N 2.82Å; Q150-H153 VanDerWaalsContact O-N 3.1Å; Q150-E154 PolarHBondContact NE2-OE1 3.29Å; Q150-E154 PolarHBondContact O-N 3.07Å
151	A	90.8	Very high	91.1	Very high	25 Å²	25	51.8 Å²	51.8	21%	0.207	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-33.9	175	0	0	0	0	0	112.1	S148 E154 A155 L160	S148-A151 PolarHBondContact OG-N 3.23Å; A151-E154 PolarHBondContact O-N 2.84Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.81Å; A151-L160 HydrophobicContact CB-CD1 4.08Å; A151-L160 WeakPolarHBondContact O-CD1 3.15Å
152	L	91.1	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-44.8	173.7	177.6	64.2	0	0	0	111.8	L149 Q150 E154 A155 L156 V163 P164 T167 I168 L171 M222	L149-L152 WeakPolarHBondContact O-CB 3.19Å; L149-L152 PolarHBondContact O-N 3.1Å; Q150-L152 PolarHBondContact O-N 3.16Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3Å; L152-A155 PolarHBondContact O-N 3.15Å; L152-L156 HydrophobicContact CD1-CD1 4.41Å; L152-L156 HydrophobicContact CD1-CG 4.29Å; L152-L156 HydrophobicContact CG-CD1 4.16Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.23Å; L152-V163 HydrophobicContact CD1-CG1 3.92Å; L152-P164 HydrophobicContact CB-CG 4.36Å; L152-P164 HydrophobicContact CD1-CG 4.37Å; L152-T167 HydrophobicContact CB-CG2 3.84Å; L152-T167 HydrophobicContact CD2-CG2 3.98Å; L152-T167 HydrophobicContact CG-CG2 4.43Å; L152-I168 HydrophobicContact CD1-CG1 4.37Å; L152-L171 HydrophobicContact CD2-CD1 3.49Å; L152-L171 VanDerWaalsContact CD2-CD1 3.49Å; L152-M222 HydrophobicContact CD1-SD 3.93Å; L152-M222 HydrophobicContact CD2-CG 3.81Å; L152-M222 HydrophobicContact CD2-SD 3.86Å; L152-M222 HydrophobicContact CG-CG 4.45Å; L152-M222 HydrophobicContact CG-SD 4.2Å
153	H	90.4	Very high	90.1	Very high	49 Å²	49	51.4 Å²	51.4	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-40.9	175.5	-74.6	-59.1	0	0	0	112.1	I58 L149 Q150 L156 S157	I58-H153 PolarHBondContact O-CE1 3.07Å; I58-H153 VanDerWaalsContact O-CE1 3.32Å; I58-H153 PolarHBondContact O-NE2 3.42Å; L149-H153 PolarHBondContact O-CD2 3.13Å; L149-H153 VanDerWaalsContact O-CD2 3.27Å; L149-H153 PolarHBondContact O-N 2.79Å; Q150-H153 WeakPolarHBondContact O-CB 3.44Å; Q150-H153 PolarHBondContact O-N 2.82Å; Q150-H153 VanDerWaalsContact O-N 3.1Å; H153-L156 PolarHBondContact O-N 3.45Å; H153-S157 WeakPolarHBondContact O-CB 3.36Å; H153-S157 PolarHBondContact O-N 2.93Å; H153-S157 PolarHBondContact O-OG 2.89Å
154	E	90.1	Very high	89.7	Confident	58 Å²	58	49.9 Å²	49.9	27%	0.271	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.7	-71.4	169.3	-168.4	0	0	111.8	Q150 A151 L152 S157 G158 R159 L160	Q150-E154 PolarHBondContact NE2-OE1 3.29Å; Q150-E154 PolarHBondContact O-N 3.07Å; A151-E154 PolarHBondContact O-N 2.84Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3Å; E154-S157 WeakPolarHBondContact CA-OG 3.12Å; E154-S157 PolarHBondContact O-N 3.18Å; E154-S157 PolarHBondContact O-OG 3.37Å; E154-G158 PolarHBondContact O-N 3.04Å; E154-R159 HydrophobicContact CB-CB 4.22Å; E154-R159 WeakPolarHBondContact O-CB 3.47Å; E154-R159 PolarHBondContact O-N 3.42Å; E154-L160 HydrophobicContact CB-CD1 4.06Å; E154-L160 HydrophobicContact CB-CG 3.96Å; E154-L160 PolarHBondContact O-N 2.9Å
155	A	89.8	Confident	89.4	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-42.3	174.4	0	0	0	0	0	113.1	A151 L152 S157 G158 L160	A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.81Å; L152-A155 PolarHBondContact O-N 3.15Å; A155-S157 VanDerWaalsContact C-N 3.27Å; A155-S157 PolarHBondContact O-N 2.9Å; A155-G158 PolarHBondContact O-N 2.81Å; A155-G158 VanDerWaalsContact O-N 3.09Å; A155-L160 HydrophobicContact CB-CB 4.04Å; A155-L160 HydrophobicContact CB-CD1 4.42Å
156	L	89.4	Confident	89.1	Confident	16 Å²	16	58 Å²	58	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-33	176.6	-66.5	172.4	0	0	0	112.1	L152 H153 G158 P217 S218 M222 P752	L152-L156 HydrophobicContact CD1-CD1 4.41Å; L152-L156 HydrophobicContact CD1-CG 4.29Å; L152-L156 HydrophobicContact CG-CD1 4.16Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.23Å; H153-L156 PolarHBondContact O-N 3.45Å; L156-G158 PolarHBondContact O-N 3.3Å; L156-P217 HydrophobicContact CD2-CB 3.72Å; L156-S218 WeakPolarHBondContact CD2-O 3.34Å; L156-M222 HydrophobicContact CD1-CG 3.87Å; L156-M222 HydrophobicContact CD1-SD 3.87Å; L156-M222 HydrophobicContact CD2-SD 4.06Å; L156-M222 HydrophobicContact CG-SD 4.46Å; L156-P752 HydrophobicContact CD2-CG 4.36Å
157	S	87.1	Confident	89	Confident	72 Å²	72	56 Å²	56	50%	0.503	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1	174.7	70.7	0	0	0	0	114.6	H153 E154 A155 R159	H153-S157 WeakPolarHBondContact O-CB 3.36Å; H153-S157 PolarHBondContact O-N 2.93Å; H153-S157 PolarHBondContact O-OG 2.89Å; E154-S157 WeakPolarHBondContact CA-OG 3.12Å; E154-S157 PolarHBondContact O-N 3.18Å; E154-S157 PolarHBondContact O-OG 3.37Å; A155-S157 VanDerWaalsContact C-N 3.27Å; A155-S157 PolarHBondContact O-N 2.9Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 2.9Å; S157-R159 WeakPolarHBondContact OG-CG 3.32Å
158	G	83.5	Confident	89	Confident	56 Å²	56	56.8 Å²	56.8	58%	0.577	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	8.9	-178.7	0	0	0	0	0	115.2	E154 A155 L156	E154-G158 PolarHBondContact O-N 3.04Å; A155-G158 PolarHBondContact O-N 2.81Å; A155-G158 VanDerWaalsContact O-N 3.09Å; L156-G158 PolarHBondContact O-N 3.3Å
159	R	86.1	Confident	89	Confident	196 Å²	196	57.6 Å²	57.6	74%	0.74	31%	0.313	S	S	*	.	S	Bend	trans	-75	-31.7	176.4	-66.1	178.8	-171.5	-167.6	0.4	112.5	E154 S157	E154-R159 HydrophobicContact CB-CB 4.22Å; E154-R159 WeakPolarHBondContact O-CB 3.47Å; E154-R159 PolarHBondContact O-N 3.42Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 2.9Å; S157-R159 WeakPolarHBondContact OG-CG 3.32Å
160	L	86.3	Confident	89.2	Confident	63 Å²	63	57.6 Å²	57.6	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	-99.3	143.5	170.9	-65.2	178	0	0	0	110.5	A151 E154 A155 S162	A151-L160 HydrophobicContact CB-CD1 4.08Å; A151-L160 WeakPolarHBondContact O-CD1 3.15Å; E154-L160 HydrophobicContact CB-CD1 4.06Å; E154-L160 HydrophobicContact CB-CG 3.96Å; E154-L160 PolarHBondContact O-N 2.9Å; A155-L160 HydrophobicContact CB-CB 4.04Å; A155-L160 HydrophobicContact CB-CD1 4.42Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 3.27Å
161	P	79.5	Confident	89.4	Confident	119 Å²	119	55 Å²	55	77%	0.773	30%	0.301	S	S	*	.	S	Bend	trans	-73.6	-16.3	-174.7	29.6	-36.3	0	0	0	113.9
162	S	85.4	Confident	89.6	Confident	82 Å²	82	55.4 Å²	55.4	57%	0.573	30%	0.3	S	S	*	.	S	Bend	trans	-142.7	147.6	-177.2	-177	0	0	0	0	110.5	L160	L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 3.27Å
163	V	88.4	Confident	89.9	Confident	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.303	C	S	.	.			trans	-79.4	128.3	175.1	-168.6	0	0	0	0	109.6	L152 F165 I168 P217 P752	L152-V163 HydrophobicContact CD1-CG1 3.92Å; V163-F165 PolarHBondContact O-N 2.81Å; V163-F165 VanDerWaalsContact O-N 3.11Å; V163-I168 HydrophobicContact CB-CD1 4.45Å; V163-I168 HydrophobicContact CG1-CD1 3.51Å; V163-I168 HydrophobicContact CG1-CG1 4.22Å; V163-P217 HydrophobicContact CG1-CB 4.06Å; V163-P217 HydrophobicContact CG1-CG 4.31Å; V163-P752 HydrophobicContact CG2-CG 3.69Å
164	P	90	Very high	90.2	Very high	34 Å²	34	53.7 Å²	53.7	22%	0.221	29%	0.293	C	S	.	.			trans	-72.1	106.1	-179	27.2	-33.3	0	0	0	111	L152 E166 T167 I168	L152-P164 HydrophobicContact CB-CG 4.36Å; L152-P164 HydrophobicContact CD1-CG 4.37Å; P164-E166 PolarHBondContact O-N 3.42Å; P164-T167 WeakPolarHBondContact O-CB 3.24Å; P164-T167 PolarHBondContact O-N 3Å; P164-I168 PolarHBondContact O-N 3.09Å
165	F	88.1	Confident	90.6	Very high	141 Å²	141	50.9 Å²	50.9	62%	0.618	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-40.4	-176.5	178.4	-96.3	0	0	0	113	V163 T167 I168 Q169	V163-F165 PolarHBondContact O-N 2.81Å; V163-F165 VanDerWaalsContact O-N 3.11Å; F165-T167 PolarHBondContact O-N 2.92Å; F165-I168 PolarHBondContact O-N 3.23Å; F165-I168 VanDerWaalsContact O-N 3.14Å; F165-Q169 HydrophobicContact CE1-CB 4.48Å; F165-Q169 PolarHBondContact O-N 3.25Å
166	E	89.3	Confident	90.9	Very high	126 Å²	126	51.8 Å²	51.8	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-59.1	-37.4	177.8	-63.7	-175.7	173.7	0	0	111.5	P164 Q169 A170	P164-E166 PolarHBondContact O-N 3.42Å; E166-Q169 WeakPolarHBondContact O-CB 3.43Å; E166-Q169 PolarHBondContact O-N 3.33Å; E166-A170 PolarHBondContact O-N 3.4Å
167	T	93.1	Very high	91.2	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.043	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-41.7	175.9	-48.1	0	0	0	0	112.4	V147 L149 L152 P164 F165 Q169 A170 L171	V147-T167 HydrophobicContact CG1-CG2 3.78Å; V147-T167 WeakPolarHBondContact CG1-OG1 3.28Å; L149-T167 HydrophobicContact CD2-CG2 3.56Å; L152-T167 HydrophobicContact CB-CG2 3.84Å; L152-T167 HydrophobicContact CD2-CG2 3.98Å; L152-T167 HydrophobicContact CG-CG2 4.43Å; P164-T167 WeakPolarHBondContact O-CB 3.24Å; P164-T167 PolarHBondContact O-N 3Å; F165-T167 PolarHBondContact O-N 2.92Å; T167-Q169 VanDerWaalsContact C-N 3.29Å; T167-Q169 PolarHBondContact O-N 3.38Å; T167-A170 PolarHBondContact O-N 3.26Å; T167-L171 PolarHBondContact O-N 2.96Å; T167-L171 VanDerWaalsContact O-N 3.15Å
168	I	93.4	Very high	91.6	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-40.8	173.3	-61.9	167.1	0	0	0	110.2	L152 V163 P164 F165 L171 D172 P217 M222	L152-I168 HydrophobicContact CD1-CG1 4.37Å; V163-I168 HydrophobicContact CB-CD1 4.45Å; V163-I168 HydrophobicContact CG1-CD1 3.51Å; V163-I168 HydrophobicContact CG1-CG1 4.22Å; P164-I168 PolarHBondContact O-N 3.09Å; F165-I168 PolarHBondContact O-N 3.23Å; F165-I168 VanDerWaalsContact O-N 3.14Å; I168-L171 PolarHBondContact O-N 3.37Å; I168-D172 WeakPolarHBondContact O-CB 3.27Å; I168-D172 PolarHBondContact O-N 3.14Å; I168-P217 HydrophobicContact CD1-CB 4.35Å; I168-P217 HydrophobicContact CD1-CG 3.85Å; I168-M222 HydrophobicContact CG1-CE 4.22Å; I168-M222 HydrophobicContact CG2-CE 4.47Å
169	Q	94.1	Very high	92.2	Very high	61 Å²	61	47.4 Å²	47.4	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-43.1	178.1	-177.5	179.1	-2.4	0	0	111.6	F165 E166 T167 L171 D172 V173	F165-Q169 HydrophobicContact CE1-CB 4.48Å; F165-Q169 PolarHBondContact O-N 3.25Å; E166-Q169 WeakPolarHBondContact O-CB 3.43Å; E166-Q169 PolarHBondContact O-N 3.33Å; T167-Q169 VanDerWaalsContact C-N 3.29Å; T167-Q169 PolarHBondContact O-N 3.38Å; Q169-L171 PolarHBondContact O-N 2.99Å; Q169-D172 PolarHBondContact O-N 3.48Å; Q169-V173 WeakPolarHBondContact O-CG2 3.42Å; Q169-V173 PolarHBondContact O-N 2.85Å
170	A	95.7	Very high	92.6	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-47.6	175.2	0	0	0	0	0	111.2	Y110 V147 E166 T167 D172 V173 V174	Y110-A170 HydrophobicContact CD1-CB 3.97Å; Y110-A170 HydrophobicContact CE1-CB 3.75Å; Y110-A170 HydrophobicContact CE2-CB 4.5Å; Y110-A170 HydrophobicContact CG-CB 4.43Å; V147-A170 HydrophobicContact CG1-CB 4.23Å; E166-A170 PolarHBondContact O-N 3.4Å; T167-A170 PolarHBondContact O-N 3.26Å; A170-D172 PolarHBondContact O-N 3.32Å; A170-V173 PolarHBondContact O-N 3.27Å; A170-V174 WeakPolarHBondContact O-CG2 3.1Å; A170-V174 PolarHBondContact O-N 3.21Å
171	L	96	Very high	92.8	Very high	3 Å²	3	36 Å²	36	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176.1	-68.9	175.9	0	0	0	112.8	I58 L149 L152 T167 I168 Q169 V173 V174 M175 V215 M222 V408	I58-L171 HydrophobicContact CD1-CD1 4.08Å; I58-L171 HydrophobicContact CD1-CD2 4.09Å; I58-L171 HydrophobicContact CG1-CD1 4.26Å; I58-L171 HydrophobicContact CG2-CD1 4.29Å; I58-L171 HydrophobicContact CG2-CD2 4.2Å; L149-L171 HydrophobicContact CD2-CD1 4.35Å; L149-L171 HydrophobicContact CD2-CD2 4.04Å; L149-L171 HydrophobicContact CD2-CG 4.18Å; L152-L171 HydrophobicContact CD2-CD1 3.49Å; L152-L171 VanDerWaalsContact CD2-CD1 3.49Å; T167-L171 PolarHBondContact O-N 2.96Å; T167-L171 VanDerWaalsContact O-N 3.15Å; I168-L171 PolarHBondContact O-N 3.37Å; Q169-L171 PolarHBondContact O-N 2.99Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 PolarHBondContact O-N 3.44Å; L171-V174 PolarHBondContact O-N 2.98Å; L171-M175 WeakPolarHBondContact O-CG 3.14Å; L171-M175 PolarHBondContact O-N 2.87Å; L171-V215 HydrophobicContact CB-CG1 4.21Å; L171-M222 HydrophobicContact CD1-CE 4.37Å; L171-M222 HydrophobicContact CD1-CG 4.36Å; L171-V408 HydrophobicContact CD2-CG2 4.25Å
172	D	95.4	Very high	93.4	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-37.4	175.3	-175.9	79.4	0	0	0	111.2	I168 Q169 A170 R176 V215	I168-D172 WeakPolarHBondContact O-CB 3.27Å; I168-D172 PolarHBondContact O-N 3.14Å; Q169-D172 PolarHBondContact O-N 3.48Å; A170-D172 PolarHBondContact O-N 3.32Å; D172-R176 VanDerWaalsContact O-CB 3.24Å; D172-R176 WeakPolarHBondContact O-CB 3.45Å; D172-R176 WeakPolarHBondContact O-CG 3.17Å; D172-R176 PolarHBondContact O-N 3.28Å; D172-R176 VanDerWaalsContact O-N 3.09Å; D172-R176 IonicContact OD1-CZ 3.72Å; D172-R176 IonicContact OD1-NE 2.72Å; D172-R176 PolarHBondContact OD1-NE 3.34Å; D172-R176 IonicContact OD1-NH2 3.76Å; D172-R176 PolarHBondContact OD1-NH2 3.43Å; D172-R176 WeakPolarHBondContact OD2-CD 3.37Å; D172-R176 IonicContact OD2-CZ 2.76Å; D172-R176 IonicContact OD2-NE 3.17Å; D172-R176 PolarHBondContact OD2-NE 3.15Å; D172-R176 IonicContact OD2-NH2 2.61Å; D172-V215 HydrophobicContact CB-CB 4.38Å; D172-V215 HydrophobicContact CB-CG2 4.42Å
173	V	96.9	Very high	93.8	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-42.9	175	173.6	0	0	0	0	111.6	V102 D104 Y110 Q169 A170 L171 R176 H177	V102-V173 HydrophobicContact CB-CG1 4.32Å; V102-V173 HydrophobicContact CG2-CG1 4.07Å; D104-V173 HydrophobicContact CB-CG1 4.23Å; D104-V173 HydrophobicContact CB-CG2 3.76Å; Y110-V173 HydrophobicContact CD2-CB 4.19Å; Y110-V173 HydrophobicContact CD2-CG1 3.93Å; Y110-V173 HydrophobicContact CE2-CB 4.06Å; Y110-V173 HydrophobicContact CE2-CG1 4.11Å; Y110-V173 HydrophobicContact CE2-CG2 4.09Å; Q169-V173 WeakPolarHBondContact O-CG2 3.42Å; Q169-V173 PolarHBondContact O-N 2.85Å; A170-V173 PolarHBondContact O-N 3.27Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 PolarHBondContact O-N 3.44Å; V173-R176 PolarHBondContact O-N 2.86Å; V173-H177 PolarHBondContact O-N 3.23Å; V173-H177 VanDerWaalsContact O-N 3.09Å
174	V	97.3	Very high	94.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-54.5	-57.8	174.1	171.4	0	0	0	0	110	V102 A170 L171 R176 H177 F406	V102-V174 HydrophobicContact CG2-CB 4.44Å; V102-V174 HydrophobicContact CG2-CG2 3.72Å; A170-V174 WeakPolarHBondContact O-CG2 3.1Å; A170-V174 PolarHBondContact O-N 3.21Å; L171-V174 PolarHBondContact O-N 2.98Å; V174-R176 PolarHBondContact O-N 2.92Å; V174-R176 VanDerWaalsContact O-N 3.15Å; V174-H177 PolarHBondContact O-N 3.14Å; V174-F406 HydrophobicContact CG1-CB 4.05Å; V174-F406 HydrophobicContact CG1-CD2 4.12Å; V174-F406 HydrophobicContact CG1-CG 4.06Å; V174-F406 HydrophobicContact CG2-CB 4.38Å; V174-F406 HydrophobicContact CG2-CD1 3.63Å; V174-F406 HydrophobicContact CG2-CD2 3.95Å; V174-F406 HydrophobicContact CG2-CE1 3.78Å; V174-F406 HydrophobicContact CG2-CE2 4.11Å; V174-F406 HydrophobicContact CG2-CG 3.71Å; V174-F406 HydrophobicContact CG2-CZ 4.01Å
175	M	97.3	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-24.4	-174.7	-62.9	-52.7	-62.5	0	0	113	M56 L171 Q213 V215 L224 F397 V403 V408 V410	M56-M175 HydrophobicContact CE-CE 4.27Å; M56-M175 HydrophobicContact CE-CG 3.67Å; M56-M175 HydrophobicContact CE-SD 3.7Å; L171-M175 WeakPolarHBondContact O-CG 3.14Å; L171-M175 PolarHBondContact O-N 2.87Å; M175-Q213 PolarHBondContact O-NE2 3.45Å; M175-V215 HydrophobicContact CB-CG2 4.18Å; M175-V215 HydrophobicContact CG-CG2 3.81Å; M175-L224 HydrophobicContact CE-CD1 4.33Å; M175-L224 HydrophobicContact CE-CD2 4.1Å; M175-L224 HydrophobicContact CG-CD1 4.5Å; M175-F397 HydrophobicContact CE-CB 4.41Å; M175-F397 HydrophobicContact CE-CD1 3.87Å; M175-F397 HydrophobicContact CE-CG 4.35Å; M175-V403 HydrophobicContact CE-CG1 4.34Å; M175-V403 HydrophobicContact CE-CG2 3.98Å; M175-V403 HydrophobicContact SD-CG1 4.07Å; M175-V403 HydrophobicContact SD-CG2 3.79Å; M175-V408 HydrophobicContact SD-CG1 4Å; M175-V410 HydrophobicContact CE-CG2 3.71Å
176	R	96.6	Very high	94.5	Very high	22 Å²	22	35.4 Å²	35.4	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-94.1	-10.9	-178.1	-73.7	-176	-168	-78.2	-9.4	114.1	D172 V173 V174 S180 R188 F190 Q213	D172-R176 VanDerWaalsContact O-CB 3.24Å; D172-R176 WeakPolarHBondContact O-CB 3.45Å; D172-R176 WeakPolarHBondContact O-CG 3.17Å; D172-R176 PolarHBondContact O-N 3.28Å; D172-R176 VanDerWaalsContact O-N 3.09Å; D172-R176 IonicContact OD1-CZ 3.72Å; D172-R176 IonicContact OD1-NE 2.72Å; D172-R176 PolarHBondContact OD1-NE 3.34Å; D172-R176 IonicContact OD1-NH2 3.76Å; D172-R176 PolarHBondContact OD1-NH2 3.43Å; D172-R176 WeakPolarHBondContact OD2-CD 3.37Å; D172-R176 IonicContact OD2-CZ 2.76Å; D172-R176 IonicContact OD2-NE 3.17Å; D172-R176 PolarHBondContact OD2-NE 3.15Å; D172-R176 IonicContact OD2-NH2 2.61Å; V173-R176 PolarHBondContact O-N 2.86Å; V174-R176 PolarHBondContact O-N 2.92Å; V174-R176 VanDerWaalsContact O-N 3.15Å; R176-S180 WeakPolarHBondContact O-CB 3.31Å; R176-S180 PolarHBondContact O-N 3.32Å; R176-S180 PolarHBondContact O-OG 3.45Å; R176-R188 VanDerWaalsContact NH1-C 3.31Å; R176-R188 PolarHBondContact NH1-O 3.09Å; R176-F190 HydrophobicContact CB-CZ 4.01Å; R176-F190 HydrophobicContact CG-CE2 4.22Å; R176-F190 HydrophobicContact CG-CZ 3.85Å; R176-Q213 VanDerWaalsContact CZ-O 3.29Å; R176-Q213 PolarHBondContact NH1-O 3.15Å; R176-Q213 PolarHBondContact NH2-O 3Å
177	H	96.9	Very high	94.5	Very high	11 Å²	11	33 Å²	33	5%	0.051	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-58.1	-166.6	-176.6	70.1	0	0	0	112.4	V102 Y103 V173 V174 S180 M181 Y402	V102-H177 HydrophobicContact CB-CB 3.91Å; V102-H177 HydrophobicContact CG1-CB 3.79Å; Y103-H177 PolarHBondContact N-ND1 3.43Å; V173-H177 PolarHBondContact O-N 3.23Å; V173-H177 VanDerWaalsContact O-N 3.09Å; V174-H177 PolarHBondContact O-N 3.14Å; H177-S180 PolarHBondContact O-N 3.3Å; H177-M181 VanDerWaalsContact NE2-CE 3.25Å; H177-M181 WeakPolarHBondContact NE2-CE 3.49Å; H177-M181 PolarHBondContact O-N 3.09Å; H177-Y402 AromaticContact CD2-CD1 3.43Å; H177-Y402 VanDerWaalsContact CD2-CD1 3.43Å; H177-Y402 WeakPolarHBondContact CD2-CD1 3.46Å; H177-Y402 AromaticContact CD2-CD2 3.7Å; H177-Y402 AromaticContact CD2-CE1 3.36Å; H177-Y402 WeakPolarHBondContact CD2-CE1 3.43Å; H177-Y402 AromaticContact CD2-CE2 3.64Å; H177-Y402 AromaticContact CD2-CG 3.6Å; H177-Y402 AromaticContact CD2-CZ 3.47Å; H177-Y402 VanDerWaalsContact CD2-CZ 3.47Å; H177-Y402 AromaticContact NE2-CD1 3.94Å; H177-Y402 AromaticContact NE2-CE1 3.42Å; H177-Y402 WeakPolarHBondContact NE2-CE1 3.04Å; H177-Y402 AromaticContact NE2-CZ 3.52Å
178	L	95.4	Very high	94.5	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.173	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-45.1	179.9	-178.4	64.3	0	0	0	113.3	S180 M181 R182 D400 Y402	L178-S180 PolarHBondContact O-N 3.36Å; L178-M181 HydrophobicContact CD1-CE 4.25Å; L178-M181 WeakPolarHBondContact O-CA 3.42Å; L178-M181 PolarHBondContact O-N 3.23Å; L178-R182 HydrophobicContact CD1-CG 3.87Å; L178-R182 HydrophobicContact CG-CG 4.12Å; L178-R182 PolarHBondContact O-N 3.22Å; L178-D400 VanDerWaalsContact CB-OD2 3.27Å; L178-D400 WeakPolarHBondContact CB-OD2 3.38Å; L178-D400 HydrophobicContact CD2-CB 4.46Å; L178-D400 WeakPolarHBondContact CD2-OD2 3.36Å; L178-Y402 HydrophobicContact CB-CD2 3.99Å; L178-Y402 HydrophobicContact CB-CE2 4.27Å; L178-Y402 HydrophobicContact CD1-CE2 4.2Å
179	P	94.3	Very high	94.6	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-56.6	-35.3	174.4	-28.2	35.5	0	0	0	113.6	M181 R182 Y183 F190 F211	P179-M181 PolarHBondContact O-N 3.44Å; P179-R182 PolarHBondContact O-N 2.95Å; P179-Y183 HydrophobicContact CB-CD2 4Å; P179-Y183 HydrophobicContact CB-CE2 4.38Å; P179-Y183 WeakPolarHBondContact O-CB 3.2Å; P179-Y183 PolarHBondContact O-N 2.94Å; P179-F190 HydrophobicContact CB-CD1 3.91Å; P179-F190 HydrophobicContact CB-CD2 3.87Å; P179-F190 HydrophobicContact CB-CE1 3.84Å; P179-F190 HydrophobicContact CB-CE2 3.77Å; P179-F190 HydrophobicContact CB-CG 3.92Å; P179-F190 HydrophobicContact CB-CZ 3.76Å; P179-F211 HydrophobicContact CB-CZ 4.4Å
180	S	94.6	Very high	94.6	Very high	6 Å²	6	36 Å²	36	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-17.1	176.2	-60.1	0	0	0	0	113.5	R81 R176 H177 L178 F190	R81-S180 VanDerWaalsContact CZ-CB 3.49Å; R176-S180 WeakPolarHBondContact O-CB 3.31Å; R176-S180 PolarHBondContact O-N 3.32Å; R176-S180 PolarHBondContact O-OG 3.45Å; H177-S180 PolarHBondContact O-N 3.3Å; L178-S180 PolarHBondContact O-N 3.36Å; S180-F190 WeakPolarHBondContact OG-CE1 3.29Å
181	M	92.1	Very high	94.6	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.069	19%	0.19	C	C	.	.	H	α-helix	trans	-100.2	-30.6	177.2	-62	-171.7	-61.3	0	0	113.6	R78 H177 L178 P179 Y402	R78-M181 VanDerWaalsContact CZ-O 3.25Å; R78-M181 PolarHBondContact NH1-O 3.28Å; R78-M181 VanDerWaalsContact NH1-O 3.08Å; R78-M181 PolarHBondContact NH2-O 2.85Å; H177-M181 VanDerWaalsContact NE2-CE 3.25Å; H177-M181 WeakPolarHBondContact NE2-CE 3.49Å; H177-M181 PolarHBondContact O-N 3.09Å; L178-M181 HydrophobicContact CD1-CE 4.25Å; L178-M181 WeakPolarHBondContact O-CA 3.42Å; L178-M181 PolarHBondContact O-N 3.23Å; P179-M181 PolarHBondContact O-N 3.44Å; M181-Y402 HydrophobicContact CE-CE2 4.14Å
182	R	91.7	Very high	94.4	Very high	172 Å²	172	39 Å²	39	65%	0.649	21%	0.206	S	C	*	.	H	α-helix	trans	-85	-35.4	179.7	-66.8	-176.6	73.8	165.7	3.2	113.2	L178 P179	L178-R182 HydrophobicContact CD1-CG 3.87Å; L178-R182 HydrophobicContact CG-CG 4.12Å; L178-R182 PolarHBondContact O-N 3.22Å; P179-R182 PolarHBondContact O-N 2.95Å
183	Y	93.8	Very high	94	Very high	75 Å²	75	40.5 Å²	40.5	29%	0.294	22%	0.218	S	C	.	.	S	Bend	trans	-114.6	175.7	-173.5	-54.1	-59.2	0	0	0	111.9	P179 P185 F190 F211	P179-Y183 HydrophobicContact CB-CD2 4Å; P179-Y183 HydrophobicContact CB-CE2 4.38Å; P179-Y183 WeakPolarHBondContact O-CB 3.2Å; P179-Y183 PolarHBondContact O-N 2.94Å; Y183-P185 WeakPolarHBondContact O-CD 3.44Å; Y183-F190 HydrophobicContact CD2-CB 3.98Å; Y183-F190 HydrophobicContact CD2-CG 4.48Å; Y183-F190 HydrophobicContact CG-CB 4.21Å; Y183-F211 HydrophobicContact CD2-CE1 4.07Å; Y183-F211 HydrophobicContact CD2-CZ 4.22Å; Y183-F211 AromaticContact CE2-CE1 3.83Å; Y183-F211 HydrophobicContact CE2-CE1 3.83Å; Y183-F211 HydrophobicContact CE2-CZ 4.03Å
184	T	94	Very high	93.2	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.27	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.4	171.5	-59.1	0	0	0	0	110	V186 F191 F233	T184-V186 HydrophobicContact CG2-CG2 4.44Å; T184-F191 PolarHBondContact N-O 3.38Å; T184-F191 PolarHBondContact O-N 3.44Å; T184-F233 HydrophobicContact CG2-CE1 4.04Å; T184-F233 HydrophobicContact CG2-CZ 4.27Å
185	P	94.1	Very high	92.3	Very high	69 Å²	69	50.6 Å²	50.6	45%	0.448	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.6	179.3	29.3	-34.8	0	0	0	111.3	Y183 F190	Y183-P185 WeakPolarHBondContact O-CD 3.44Å; P185-F190 HydrophobicContact CB-CD1 4.11Å; P185-F190 HydrophobicContact CB-CE1 3.99Å
186	V	92.4	Very high	91.2	Very high	21 Å²	21	55 Å²	55	13%	0.127	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.6	176.2	175.6	0	0	0	0	108.5	T184 R188 S189 F191 F233 R360	T184-V186 HydrophobicContact CG2-CG2 4.44Å; V186-R188 PolarHBondContact O-N 3.34Å; V186-S189 PolarHBondContact N-O 2.84Å; V186-S189 PolarHBondContact O-N 3.49Å; V186-F191 HydrophobicContact CB-CD2 3.72Å; V186-F191 HydrophobicContact CB-CE2 3.67Å; V186-F191 HydrophobicContact CG1-CE2 4.13Å; V186-F191 HydrophobicContact CG2-CD2 3.7Å; V186-F191 HydrophobicContact CG2-CE2 4.11Å; V186-F233 HydrophobicContact CG2-CZ 4.09Å; V186-R360 VanDerWaalsContact CG1-CD 3.45Å
187	G	90.3	Very high	90.3	Very high	77 Å²	77	57.4 Å²	57.4	79%	0.794	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	-120	-173.8	0	0	0	0	0	110.3
188	R	92.1	Very high	89.6	Confident	138 Å²	138	60.8 Å²	60.8	52%	0.521	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.9	175.8	-68	-172.8	175.8	174.3	-1.5	113.9	R176 V186 Q213	R176-R188 VanDerWaalsContact NH1-C 3.31Å; R176-R188 PolarHBondContact NH1-O 3.09Å; V186-R188 PolarHBondContact O-N 3.34Å; R188-Q213 PolarHBondContact O-N 3.44Å; R188-Q213 VanDerWaalsContact O-N 3.1Å; R188-Q213 VanDerWaalsContact O-O 3.05Å
189	S	95.4	Very high	89.4	Confident	13 Å²	13	61.2 Å²	61.2	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	160.1	-178.2	-53.7	0	0	0	0	112.6	V186 F211	V186-S189 PolarHBondContact N-O 2.84Å; V186-S189 PolarHBondContact O-N 3.49Å; S189-F211 CarbonylContact C-O 3.5Å; S189-F211 WeakPolarHBondContact CA-O 3.47Å; S189-F211 WeakPolarHBondContact CB-O 3.37Å
190	F	95.4	Very high	89.4	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.013	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	179.6	-61.2	-74.1	0	0	0	109.6	R176 P179 S180 Y183 P185 G210 F211 Q213	R176-F190 HydrophobicContact CB-CZ 4.01Å; R176-F190 HydrophobicContact CG-CE2 4.22Å; R176-F190 HydrophobicContact CG-CZ 3.85Å; P179-F190 HydrophobicContact CB-CD1 3.91Å; P179-F190 HydrophobicContact CB-CD2 3.87Å; P179-F190 HydrophobicContact CB-CE1 3.84Å; P179-F190 HydrophobicContact CB-CE2 3.77Å; P179-F190 HydrophobicContact CB-CG 3.92Å; P179-F190 HydrophobicContact CB-CZ 3.76Å; S180-F190 WeakPolarHBondContact OG-CE1 3.29Å; Y183-F190 HydrophobicContact CD2-CB 3.98Å; Y183-F190 HydrophobicContact CD2-CG 4.48Å; Y183-F190 HydrophobicContact CG-CB 4.21Å; P185-F190 HydrophobicContact CB-CD1 4.11Å; P185-F190 HydrophobicContact CB-CE1 3.99Å; F190-G210 CarbonylContact O-C 3.55Å; F190-G210 WeakPolarHBondContact O-CA 3.42Å; F190-F211 HydrophobicContact CB-CD1 4.41Å; F190-F211 HydrophobicContact CB-CE1 3.96Å; F190-F211 HydrophobicContact CB-CE2 4.41Å; F190-F211 HydrophobicContact CB-CZ 3.96Å; F190-F211 HydrophobicContact CD2-CD2 4.29Å; F190-F211 AromaticContact CD2-CE2 3.64Å; F190-F211 HydrophobicContact CD2-CE2 3.64Å; F190-F211 AromaticContact CD2-CZ 3.84Å; F190-F211 HydrophobicContact CD2-CZ 3.84Å; F190-F211 HydrophobicContact CE2-CE2 4.43Å; F190-F211 HydrophobicContact CG-CE2 4.44Å; F190-F211 HydrophobicContact CG-CZ 4.22Å; F190-F211 PolarHBondContact N-O 3.46Å; F190-F211 PolarHBondContact O-N 3.34Å; F190-Q213 HydrophobicContact CD2-CB 4.43Å; F190-Q213 HydrophobicContact CE2-CB 4.1Å
191	F	94.9	Very high	89.3	Confident	9 Å²	9	64.6 Å²	64.6	4%	0.039	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.4	-175.3	-65.5	-84.8	0	0	0	111.9	T184 V186 W208 S229 T231 F233	T184-F191 PolarHBondContact N-O 3.38Å; T184-F191 PolarHBondContact O-N 3.44Å; V186-F191 HydrophobicContact CB-CD2 3.72Å; V186-F191 HydrophobicContact CB-CE2 3.67Å; V186-F191 HydrophobicContact CG1-CE2 4.13Å; V186-F191 HydrophobicContact CG2-CD2 3.7Å; V186-F191 HydrophobicContact CG2-CE2 4.11Å; F191-W208 HydrophobicContact CB-CB 4.48Å; F191-W208 HydrophobicContact CB-CE3 4.2Å; F191-S229 VanDerWaalsContact CE1-OG 3.26Å; F191-S229 WeakPolarHBondContact CE1-OG 3.46Å; F191-S229 VanDerWaalsContact CZ-OG 3.22Å; F191-S229 WeakPolarHBondContact CZ-OG 3.45Å; F191-T231 HydrophobicContact CD1-CG2 3.82Å; F191-T231 HydrophobicContact CD2-CG2 4.07Å; F191-T231 HydrophobicContact CE1-CG2 3.56Å; F191-T231 HydrophobicContact CE2-CG2 3.8Å; F191-T231 HydrophobicContact CG-CG2 4.08Å; F191-T231 HydrophobicContact CZ-CG2 3.54Å; F191-F233 HydrophobicContact CB-CE2 3.73Å; F191-F233 HydrophobicContact CB-CZ 3.75Å; F191-F233 HydrophobicContact CD1-CE2 4.25Å; F191-F233 HydrophobicContact CD2-CE2 4.34Å; F191-F233 HydrophobicContact CD2-CZ 4.35Å; F191-F233 AromaticContact CG-CE2 3.85Å; F191-F233 HydrophobicContact CG-CE2 3.85Å; F191-F233 HydrophobicContact CG-CZ 4.11Å
192	T	91.4	Very high	89.3	Confident	58 Å²	58	65.4 Å²	65.4	36%	0.356	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.6	178.1	-169.1	0	0	0	0	109.8	S194 F209	T192-S194 PolarHBondContact O-N 3Å; T192-F209 PolarHBondContact N-O 2.95Å
193	P	87.2	Confident	89.4	Confident	66 Å²	66	57.9 Å²	57.9	43%	0.429	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-55.7	138.3	165.3	-14.7	24.5	0	0	0	109.7	E195 W208	P193-E195 PolarHBondContact O-N 2.95Å; P193-W208 HydrophobicContact CB-CZ2 4.13Å; P193-W208 HydrophobicContact CG-CH2 3.54Å; P193-W208 HydrophobicContact CG-CZ2 3.55Å; P193-W208 HydrophobicContact CG-CZ3 4.06Å
194	S	80.8	Confident	89.5	Confident	35 Å²	35	54.3 Å²	54.3	25%	0.245	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.6	124	174.5	-65	0	0	0	0	110.2	T192 G196 C197 F209	T192-S194 PolarHBondContact O-N 3Å; S194-G196 PolarHBondContact O-N 2.74Å; S194-C197 WeakPolarHBondContact CB-O 3.02Å; S194-C197 VanDerWaalsContact CB-SG 3.53Å; S194-F209 WeakPolarHBondContact OG-CD2 3.46Å
195	E	77.4	Confident	89.6	Confident	190 Å²	190	52.4 Å²	52.4	89%	0.888	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	129.2	173.2	-65.9	178.8	-176.3	0	0	109.7	P193 C197	P193-E195 PolarHBondContact O-N 2.95Å; E195-C197 VanDerWaalsContact C-N 3.29Å; E195-C197 PolarHBondContact O-N 2.9Å
196	G	73.8	Confident	89.7	Confident	93 Å²	93	50.7 Å²	50.7	96%	0.959	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-1.6	173.6	0	0	0	0	0	117.1	S194	S194-G196 PolarHBondContact O-N 2.74Å
197	C	77.6	Confident	89.8	Confident	71 Å²	71	49.9 Å²	49.9	48%	0.48	32%	0.324	S	S	.	.			trans	-142.1	134	173.1	62.4	0	0	0	0	113.2	S194 E195	S194-C197 WeakPolarHBondContact CB-O 3.02Å; S194-C197 VanDerWaalsContact CB-SG 3.53Å; E195-C197 VanDerWaalsContact C-N 3.29Å; E195-C197 PolarHBondContact O-N 2.9Å
198	S	82.1	Confident	90	Very high	82 Å²	82	46.8 Å²	46.8	57%	0.573	29%	0.288	S	S	*	.			trans	-102.8	135.9	171.5	-176.5	0	0	0	0	110.3	P200	S198-P200 VanDerWaalsContact C-CD 3.43Å; S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.26Å
199	N	91.8	Very high	90.1	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.23	28%	0.275	C	S	.	.			trans	-119.5	72.6	178.4	-69.3	-83.4	0	0	0	109.7	E206 V207	N199-E206 CarbonylContact O-C 3.55Å; N199-E206 VanDerWaalsContact O-CA 3.28Å; N199-E206 WeakPolarHBondContact O-CA 3.41Å; N199-V207 HydrophobicContact CB-CB 3.82Å; N199-V207 HydrophobicContact CB-CG2 4.24Å; N199-V207 PolarHBondContact O-N 3.41Å
200	P	93.6	Very high	90	Very high	67 Å²	67	42.9 Å²	42.9	44%	0.435	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-68.3	138.4	-176.4	28.9	-35.1	0	0	0	111.3	S198	S198-P200 VanDerWaalsContact C-CD 3.43Å; S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.26Å
201	L	94	Very high	90	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.084	28%	0.28	C	S	.	.			trans	-99.9	-15	173.3	-64.8	175.8	0	0	0	112.1	R205 V207 A232 L365 Q369 T372 M373	L201-R205 HydrophobicContact CB-CB 4.09Å; L201-R205 HydrophobicContact CD1-CB 4.39Å; L201-R205 PolarHBondContact N-O 2.65Å; L201-V207 HydrophobicContact CD1-CG2 3.94Å; L201-V207 HydrophobicContact CD2-CG2 3.61Å; L201-V207 HydrophobicContact CG-CG2 3.81Å; L201-A232 HydrophobicContact CD1-CB 3.78Å; L201-L365 HydrophobicContact CD1-CD1 4.34Å; L201-L365 HydrophobicContact CD1-CD2 4.45Å; L201-Q369 HydrophobicContact CB-CB 4.47Å; L201-Q369 HydrophobicContact CB-CG 4.15Å; L201-Q369 VanDerWaalsContact O-CG 3.27Å; L201-Q369 WeakPolarHBondContact O-CG 3.36Å; L201-T372 HydrophobicContact CD2-CG2 3.93Å; L201-M373 HydrophobicContact CD2-CB 4.01Å
202	G	92.6	Very high	90.1	Very high	31 Å²	31	43.2 Å²	43.2	32%	0.32	28%	0.279	S	S	.	.	S	Bend	trans	81	164	-168.2	0	0	0	0	0	112.4	G204 Q369	G202-G204 VanDerWaalsContact C-N 3.32Å; G202-Q369 PolarHBondContact O-NE2 2.61Å
203	G	93.6	Very high	90.3	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	67.1	30.5	-175.9	0	0	0	0	0	113.8	E245	G203-E245 WeakPolarHBondContact CA-O 3.33Å; G203-E245 PolarHBondContact N-OE2 2.82Å
204	G	94.9	Very high	90.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	75.3	22.5	179.5	0	0	0	0	0	114.5	G202 Y234 K235 E245	G202-G204 VanDerWaalsContact C-N 3.32Å; G204-Y234 WeakPolarHBondContact O-CA 3.36Å; G204-K235 PolarHBondContact O-N 3.1Å; G204-E245 VanDerWaalsContact CA-OE2 3.26Å; G204-E245 WeakPolarHBondContact CA-OE2 3.26Å; G204-E245 PolarHBondContact N-OE2 2.99Å
205	R	96.3	Very high	91.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.4	-173	-60.1	166.1	-167.8	-175.4	-2.9	111.2	L201 F233 Y234 K235 E270	L201-R205 HydrophobicContact CB-CB 4.09Å; L201-R205 HydrophobicContact CD1-CB 4.39Å; L201-R205 PolarHBondContact N-O 2.65Å; R205-F233 CarbonylContact C-O 3.6Å; R205-F233 VanDerWaalsContact CA-O 3.29Å; R205-F233 WeakPolarHBondContact CA-O 3.33Å; R205-Y234 HydrophobicContact CG-CD1 4.1Å; R205-Y234 HydrophobicContact CG-CE1 4.11Å; R205-K235 WeakPolarHBondContact O-CE 3.36Å; R205-E270 IonicContact CZ-OE2 3.52Å; R205-E270 IonicContact NH2-OE1 3.64Å; R205-E270 PolarHBondContact NH2-OE1 2.69Å; R205-E270 IonicContact NH2-OE2 3.13Å; R205-E270 PolarHBondContact NH2-OE2 3.26Å
206	E	95.4	Very high	92.3	Very high	32 Å²	32	29 Å²	29	15%	0.15	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.5	176.2	62.4	-179.1	-174	0	0	111.6	N199 W208 A232 F233 K235	N199-E206 CarbonylContact O-C 3.55Å; N199-E206 VanDerWaalsContact O-CA 3.28Å; N199-E206 WeakPolarHBondContact O-CA 3.41Å; E206-W208 PolarHBondContact OE1-NE1 3.49Å; E206-A232 CarbonylContact O-C 3.16Å; E206-A232 WeakPolarHBondContact O-CA 3.47Å; E206-F233 PolarHBondContact N-O 3.49Å; E206-F233 PolarHBondContact O-N 2.99Å; E206-K235 HydrophobicContact CB-CG 3.96Å; E206-K235 HydrophobicContact CG-CG 3.85Å
207	V	95.4	Very high	93.3	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.2	175.4	-175.2	0	0	0	0	109.6	N199 L201 F209 A230 T377	N199-V207 HydrophobicContact CB-CB 3.82Å; N199-V207 HydrophobicContact CB-CG2 4.24Å; N199-V207 PolarHBondContact O-N 3.41Å; L201-V207 HydrophobicContact CD1-CG2 3.94Å; L201-V207 HydrophobicContact CD2-CG2 3.61Å; L201-V207 HydrophobicContact CG-CG2 3.81Å; V207-F209 HydrophobicContact CG1-CD2 4.47Å; V207-F209 HydrophobicContact CG1-CE2 4.13Å; V207-F209 HydrophobicContact CG1-CZ 4.31Å; V207-A230 HydrophobicContact CG1-CB 3.87Å; V207-T377 HydrophobicContact CG1-CG2 4.11Å
208	W	94.9	Very high	94	Very high	12 Å²	12	22.2 Å²	22.2	5%	0.045	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.7	163.6	-70	12.5	0	0	0	109.8	F191 P193 E206 A230 T231 F233 G358	F191-W208 HydrophobicContact CB-CB 4.48Å; F191-W208 HydrophobicContact CB-CE3 4.2Å; P193-W208 HydrophobicContact CB-CZ2 4.13Å; P193-W208 HydrophobicContact CG-CH2 3.54Å; P193-W208 HydrophobicContact CG-CZ2 3.55Å; P193-W208 HydrophobicContact CG-CZ3 4.06Å; E206-W208 PolarHBondContact OE1-NE1 3.49Å; W208-A230 VanDerWaalsContact O-CA 3.3Å; W208-A230 WeakPolarHBondContact O-CA 3.49Å; W208-T231 PolarHBondContact N-O 3.15Å; W208-T231 PolarHBondContact O-N 3.16Å; W208-T231 VanDerWaalsContact O-N 3.07Å; W208-F233 HydrophobicContact CB-CD2 3.46Å; W208-F233 VanDerWaalsContact CB-CD2 3.46Å; W208-F233 HydrophobicContact CB-CE2 3.74Å; W208-F233 HydrophobicContact CB-CG 4.28Å; W208-F233 HydrophobicContact CD2-CB 3.99Å; W208-F233 AromaticContact CD2-CD1 3.95Å; W208-F233 HydrophobicContact CD2-CD1 3.95Å; W208-F233 AromaticContact CD2-CD2 3.64Å; W208-F233 HydrophobicContact CD2-CD2 3.64Å; W208-F233 HydrophobicContact CD2-CE1 4.35Å; W208-F233 HydrophobicContact CD2-CE2 4.01Å; W208-F233 AromaticContact CD2-CG 3.59Å; W208-F233 HydrophobicContact CD2-CG 3.59Å; W208-F233 HydrophobicContact CD2-CZ 4.37Å; W208-F233 AromaticContact CE2-CG 3.98Å; W208-F233 AromaticContact CE3-CD1 3.83Å; W208-F233 HydrophobicContact CE3-CD1 3.83Å; W208-F233 AromaticContact CE3-CD2 3.9Å; W208-F233 HydrophobicContact CE3-CD2 3.9Å; W208-F233 AromaticContact CE3-CE1 3.79Å; W208-F233 HydrophobicContact CE3-CE1 3.79Å; W208-F233 AromaticContact CE3-CE2 3.81Å; W208-F233 HydrophobicContact CE3-CE2 3.81Å; W208-F233 AromaticContact CE3-CG 3.9Å; W208-F233 HydrophobicContact CE3-CG 3.9Å; W208-F233 AromaticContact CE3-CZ 3.77Å; W208-F233 HydrophobicContact CE3-CZ 3.77Å; W208-F233 HydrophobicContact CG-CB 3.97Å; W208-F233 AromaticContact CG-CD2 3.45Å; W208-F233 HydrophobicContact CG-CD2 3.45Å; W208-F233 VanDerWaalsContact CG-CD2 3.45Å; W208-F233 HydrophobicContact CG-CE2 4.02Å; W208-F233 AromaticContact CG-CG 3.76Å; W208-F233 HydrophobicContact CG-CG 3.76Å; W208-F233 HydrophobicContact CH2-CD1 4.39Å; W208-F233 HydrophobicContact CZ2-CD1 4.47Å; W208-F233 HydrophobicContact CZ3-CD1 4.07Å; W208-F233 AromaticContact CZ3-CE1 3.97Å; W208-F233 HydrophobicContact CZ3-CE1 3.97Å; W208-F233 HydrophobicContact CZ3-CZ 4.33Å; W208-G358 VanDerWaalsContact CH2-CA 3.4Å
209	F	92.9	Very high	94.3	Very high	55 Å²	55	20.7 Å²	20.7	24%	0.241	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	160.1	171.6	-67.7	-91.9	0	0	0	110.3	T192 S194 V207 A230 T377	T192-F209 PolarHBondContact N-O 2.95Å; S194-F209 WeakPolarHBondContact OG-CD2 3.46Å; V207-F209 HydrophobicContact CG1-CD2 4.47Å; V207-F209 HydrophobicContact CG1-CE2 4.13Å; V207-F209 HydrophobicContact CG1-CZ 4.31Å; F209-A230 HydrophobicContact CD1-CB 3.94Å; F209-A230 HydrophobicContact CE1-CB 4.06Å; F209-T377 HydrophobicContact CE1-CG2 4.14Å; F209-T377 HydrophobicContact CZ-CG2 4.32Å
210	G	94.1	Very high	93.6	Very high	15 Å²	15	26 Å²	26	16%	0.155	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-165.3	-174.7	0	0	0	0	0	110.7	F190 S229	F190-G210 CarbonylContact O-C 3.55Å; F190-G210 WeakPolarHBondContact O-CA 3.42Å; G210-S229 CarbonylContact C-O 3.56Å; G210-S229 PolarHBondContact N-O 2.79Å; G210-S229 PolarHBondContact O-N 3.46Å; G210-S229 VanDerWaalsContact O-O 3.05Å
211	F	95.6	Very high	93.5	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.9	-178.8	63.7	-85	0	0	0	111.8	P179 Y183 S189 F190 Q213 D227 L391	P179-F211 HydrophobicContact CB-CZ 4.4Å; Y183-F211 HydrophobicContact CD2-CE1 4.07Å; Y183-F211 HydrophobicContact CD2-CZ 4.22Å; Y183-F211 AromaticContact CE2-CE1 3.83Å; Y183-F211 HydrophobicContact CE2-CE1 3.83Å; Y183-F211 HydrophobicContact CE2-CZ 4.03Å; S189-F211 CarbonylContact C-O 3.5Å; S189-F211 WeakPolarHBondContact CA-O 3.47Å; S189-F211 WeakPolarHBondContact CB-O 3.37Å; F190-F211 HydrophobicContact CB-CD1 4.41Å; F190-F211 HydrophobicContact CB-CE1 3.96Å; F190-F211 HydrophobicContact CB-CE2 4.41Å; F190-F211 HydrophobicContact CB-CZ 3.96Å; F190-F211 HydrophobicContact CD2-CD2 4.29Å; F190-F211 AromaticContact CD2-CE2 3.64Å; F190-F211 HydrophobicContact CD2-CE2 3.64Å; F190-F211 AromaticContact CD2-CZ 3.84Å; F190-F211 HydrophobicContact CD2-CZ 3.84Å; F190-F211 HydrophobicContact CE2-CE2 4.43Å; F190-F211 HydrophobicContact CG-CE2 4.44Å; F190-F211 HydrophobicContact CG-CZ 4.22Å; F190-F211 PolarHBondContact N-O 3.46Å; F190-F211 PolarHBondContact O-N 3.34Å; F211-Q213 HydrophobicContact CD2-CB 4.29Å; F211-Q213 HydrophobicContact CE2-CB 4.24Å; F211-D227 CarbonylContact C-O 3.47Å; F211-D227 VanDerWaalsContact CA-O 3.3Å; F211-D227 WeakPolarHBondContact CA-O 3.46Å; F211-L391 HydrophobicContact CB-CD2 3.37Å; F211-L391 HydrophobicContact CD1-CD1 4.14Å; F211-L391 HydrophobicContact CD1-CD2 4.39Å; F211-L391 HydrophobicContact CG-CD1 4.46Å; F211-L391 HydrophobicContact CG-CD2 3.92Å
212	H	96.8	Very high	93.6	Very high	5 Å²	5	25 Å²	25	2%	0.023	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.4	163.4	172.7	80.1	0	0	0	109.6	S214 I226 D227 H721	H212-S214 PolarHBondContact NE2-OG 3.25Å; H212-I226 WeakPolarHBondContact O-CA 3.18Å; H212-D227 HydrophobicContact CB-CB 4.28Å; H212-D227 PolarHBondContact N-O 3.43Å; H212-D227 PolarHBondContact O-N 3.23Å; H212-H721 HydrophobicContact CB-CB 4.36Å; H212-H721 VanDerWaalsContact CB-ND1 3.29Å; H212-H721 WeakPolarHBondContact CB-ND1 3.44Å; H212-H721 WeakPolarHBondContact CD2-CB 3.44Å; H212-H721 AromaticContact CD2-CD2 3.66Å; H212-H721 AromaticContact CD2-CG 3.25Å; H212-H721 AromaticContact CD2-ND1 3.78Å; H212-H721 AromaticContact CE1-CD2 3.31Å; H212-H721 PolarHBondContact CE1-CD2 3.02Å; H212-H721 AromaticContact CE1-CG 3.76Å; H212-H721 AromaticContact CE1-NE2 3.85Å; H212-H721 AromaticContact CG-CD2 3.43Å; H212-H721 VanDerWaalsContact CG-CD2 3.43Å; H212-H721 AromaticContact CG-CE1 3.56Å; H212-H721 AromaticContact CG-CG 3.19Å; H212-H721 AromaticContact CG-ND1 3.31Å; H212-H721 VanDerWaalsContact CG-ND1 3.31Å; H212-H721 AromaticContact CG-NE2 3.7Å; H212-H721 AromaticContact ND1-CD2 3.25Å; H212-H721 PolarHBondContact ND1-CD2 2.78Å; H212-H721 AromaticContact ND1-CE1 3.66Å; H212-H721 AromaticContact ND1-CG 3.57Å; H212-H721 AromaticContact ND1-ND1 3.83Å; H212-H721 AromaticContact ND1-NE2 3.36Å; H212-H721 PolarHBondContact ND1-NE2 3.39Å; H212-H721 AromaticContact NE2-CD2 3.57Å; H212-H721 AromaticContact NE2-CG 3.6Å
213	Q	96.4	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137	172.3	-179.9	-177.8	-52.3	0	0	109.2	M175 R176 R188 F190 F211 L224 N225 I226	M175-Q213 PolarHBondContact O-NE2 3.45Å; R176-Q213 VanDerWaalsContact CZ-O 3.29Å; R176-Q213 PolarHBondContact NH1-O 3.15Å; R176-Q213 PolarHBondContact NH2-O 3Å; R188-Q213 PolarHBondContact O-N 3.44Å; R188-Q213 VanDerWaalsContact O-N 3.1Å; R188-Q213 VanDerWaalsContact O-O 3.05Å; F190-Q213 HydrophobicContact CD2-CB 4.43Å; F190-Q213 HydrophobicContact CE2-CB 4.1Å; F211-Q213 HydrophobicContact CD2-CB 4.29Å; F211-Q213 HydrophobicContact CE2-CB 4.24Å; Q213-L224 HydrophobicContact CG-CD1 3.78Å; Q213-N225 WeakPolarHBondContact CA-O 3.28Å; Q213-I226 HydrophobicContact CB-CD1 3.79Å; Q213-I226 HydrophobicContact CG-CD1 3.7Å
214	S	95.3	Very high	94.1	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	141.2	166.3	51.9	0	0	0	0	111.2	H212 N225	H212-S214 PolarHBondContact NE2-OG 3.25Å; S214-N225 PolarHBondContact N-O 3.18Å; S214-N225 VanDerWaalsContact N-O 3.09Å; S214-N225 PolarHBondContact O-N 2.8Å
215	V	96.2	Very high	94.2	Very high	11 Å²	11	23 Å²	23	7%	0.067	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.8	171.1	178.1	0	0	0	0	109	M56 L171 D172 M175 M222 M223 L224	M56-V215 HydrophobicContact CE-CG2 4.24Å; M56-V215 HydrophobicContact SD-CG1 4.02Å; M56-V215 HydrophobicContact SD-CG2 4.15Å; L171-V215 HydrophobicContact CB-CG1 4.21Å; D172-V215 HydrophobicContact CB-CB 4.38Å; D172-V215 HydrophobicContact CB-CG2 4.42Å; M175-V215 HydrophobicContact CB-CG2 4.18Å; M175-V215 HydrophobicContact CG-CG2 3.81Å; V215-M222 HydrophobicContact CG1-CE 3.31Å; V215-M223 WeakPolarHBondContact CA-O 3.44Å; V215-L224 HydrophobicContact CG2-CD1 4.1Å
216	R	94.6	Very high	94.3	Very high	36 Å²	36	22.9 Å²	22.9	14%	0.136	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.9	-177	-61.5	-172	64.3	80.4	-3.2	111.7	F53 M223 E682	F53-R216 HydrophobicContact CE1-CB 4.48Å; R216-M223 PolarHBondContact N-O 2.84Å; R216-M223 PolarHBondContact O-N 3.31Å; R216-E682 IonicContact CZ-OE1 2.79Å; R216-E682 VanDerWaalsContact CZ-OE1 3.24Å; R216-E682 IonicContact CZ-OE2 2.75Å; R216-E682 VanDerWaalsContact NH1-CD 3.33Å; R216-E682 IonicContact NH1-OE1 2.69Å; R216-E682 PolarHBondContact NH1-OE1 3.06Å; R216-E682 IonicContact NH1-OE2 2.6Å; R216-E682 PolarHBondContact NH1-OE2 2.8Å; R216-E682 IonicContact NH2-OE1 3.29Å; R216-E682 PolarHBondContact NH2-OE1 2.9Å; R216-E682 IonicContact NH2-OE2 3.47Å
217	P	94.3	Very high	94.4	Very high	22 Å²	22	21.5 Å²	21.5	14%	0.143	10%	0.099	C	C	.	.			trans	-69.8	151.9	166.5	32.8	-35.3	0	0	0	110	L156 V163 I168 M222 P752	L156-P217 HydrophobicContact CD2-CB 3.72Å; V163-P217 HydrophobicContact CG1-CB 4.06Å; V163-P217 HydrophobicContact CG1-CG 4.31Å; I168-P217 HydrophobicContact CD1-CB 4.35Å; I168-P217 HydrophobicContact CD1-CG 3.85Å; P217-M222 HydrophobicContact CB-SD 4.1Å; P217-P752 HydrophobicContact CB-CG 4.35Å
218	S	94	Very high	94.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.			trans	-146.7	170	173.6	76.8	0	0	0	0	111.1	L156 W220 K221 M223 K748 T750	L156-S218 WeakPolarHBondContact CD2-O 3.34Å; S218-W220 PolarHBondContact O-N 3.38Å; S218-W220 VanDerWaalsContact O-N 3.09Å; S218-W220 PolarHBondContact OG-N 3.34Å; S218-K221 WeakPolarHBondContact CB-O 3.46Å; S218-K221 PolarHBondContact N-O 3.08Å; S218-K221 PolarHBondContact OG-N 2.78Å; S218-K221 PolarHBondContact OG-O 2.59Å; S218-M223 WeakPolarHBondContact OG-CE 3.23Å; S218-M223 WeakPolarHBondContact OG-CG 3.2Å; S218-K748 WeakPolarHBondContact CB-O 3.34Å; S218-K748 PolarHBondContact OG-O 3.29Å; S218-K748 VanDerWaalsContact OG-O 3.14Å; S218-T750 CarbonylContact C-O 3.53Å; S218-T750 WeakPolarHBondContact CA-O 3.36Å
219	L	87.1	Confident	94.2	Very high	49 Å²	49	22.5 Å²	22.5	26%	0.257	11%	0.107	S	C	.	.	S	Bend	trans	-53.2	-24.4	172.7	-77	163	0	0	0	114.6	F40 T750 H751 P752	F40-L219 HydrophobicContact CE1-CD1 3.7Å; F40-L219 HydrophobicContact CZ-CD1 3.99Å; F40-L219 HydrophobicContact CZ-CD2 4.27Å; L219-T750 WeakPolarHBondContact CD1-OG1 3.36Å; L219-T750 PolarHBondContact N-O 3.14Å; L219-H751 WeakPolarHBondContact CG-O 3.06Å; L219-P752 WeakPolarHBondContact CD2-O 3.45Å
220	W	77.9	Confident	94.2	Very high	156 Å²	156	21.1 Å²	21.1	59%	0.591	11%	0.106	S	C	*	.	S	Bend	trans	-105.5	-62.9	-173.6	-172.8	-115.2	0	0	0	112.9	S218 M223 K748	S218-W220 PolarHBondContact O-N 3.38Å; S218-W220 VanDerWaalsContact O-N 3.09Å; S218-W220 PolarHBondContact OG-N 3.34Å; W220-M223 HydrophobicContact CB-CE 4.24Å; W220-K748 HydrophobicContact CB-CG 4.28Å
221	K	91.7	Very high	94.2	Very high	59 Å²	59	21.3 Å²	21.3	26%	0.257	10%	0.104	S	C	.	.	S	Bend	trans	-145.2	176.6	-176.1	-74	-175.8	-179.8	176.1	0	110.3	E55 E57 S218	E55-K221 HydrophobicContact CB-CD 4.31Å; E55-K221 IonicContact OE2-NZ 3.71Å; E55-K221 PolarHBondContact OE2-NZ 3.43Å; E57-K221 IonicContact OE1-NZ 3.4Å; S218-K221 WeakPolarHBondContact CB-O 3.46Å; S218-K221 PolarHBondContact N-O 3.08Å; S218-K221 PolarHBondContact OG-N 2.78Å; S218-K221 PolarHBondContact OG-O 2.59Å
222	M	95.8	Very high	94.1	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.2	159.7	-69.1	-53.1	-66	0	0	109.9	M56 I58 L152 L156 I168 L171 V215 P217	M56-M222 HydrophobicContact CB-CB 4.02Å; M56-M222 WeakPolarHBondContact CB-O 3.27Å; M56-M222 PolarHBondContact N-O 3.19Å; M56-M222 HydrophobicContact SD-CB 4.35Å; I58-M222 HydrophobicContact CD1-CB 4.41Å; I58-M222 HydrophobicContact CG1-CB 3.99Å; I58-M222 HydrophobicContact CG1-CG 3.93Å; L152-M222 HydrophobicContact CD1-SD 3.93Å; L152-M222 HydrophobicContact CD2-CG 3.81Å; L152-M222 HydrophobicContact CD2-SD 3.86Å; L152-M222 HydrophobicContact CG-CG 4.45Å; L152-M222 HydrophobicContact CG-SD 4.2Å; L156-M222 HydrophobicContact CD1-CG 3.87Å; L156-M222 HydrophobicContact CD1-SD 3.87Å; L156-M222 HydrophobicContact CD2-SD 4.06Å; L156-M222 HydrophobicContact CG-SD 4.46Å; I168-M222 HydrophobicContact CG1-CE 4.22Å; I168-M222 HydrophobicContact CG2-CE 4.47Å; L171-M222 HydrophobicContact CD1-CE 4.37Å; L171-M222 HydrophobicContact CD1-CG 4.36Å; V215-M222 HydrophobicContact CG1-CE 3.31Å; P217-M222 HydrophobicContact CB-SD 4.1Å
223	M	97.6	Very high	94.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.9	-175.6	-62.8	-73.1	-177	0	0	110.2	F53 E55 V215 R216 S218 W220 T415	F53-M223 HydrophobicContact CB-CB 4.34Å; F53-M223 HydrophobicContact CB-SD 4.21Å; F53-M223 HydrophobicContact CD1-CB 3.43Å; F53-M223 VanDerWaalsContact CD1-CB 3.43Å; F53-M223 HydrophobicContact CD1-CG 3.75Å; F53-M223 HydrophobicContact CD1-SD 4.42Å; F53-M223 HydrophobicContact CE1-CB 4.1Å; F53-M223 HydrophobicContact CG-CB 4.26Å; E55-M223 HydrophobicContact CG-CE 4.06Å; E55-M223 HydrophobicContact CG-SD 3.97Å; V215-M223 WeakPolarHBondContact CA-O 3.44Å; R216-M223 PolarHBondContact N-O 2.84Å; R216-M223 PolarHBondContact O-N 3.31Å; S218-M223 WeakPolarHBondContact OG-CE 3.23Å; S218-M223 WeakPolarHBondContact OG-CG 3.2Å; W220-M223 HydrophobicContact CB-CE 4.24Å; M223-T415 HydrophobicContact CE-CG2 4.28Å
224	L	98.1	Very high	94.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.1	166.6	-171.3	69	0	0	0	108.2	F54 M56 M175 Q213 V215 I226 F397 V410	F54-L224 HydrophobicContact CB-CB 4.32Å; F54-L224 WeakPolarHBondContact CD2-O 2.96Å; F54-L224 PolarHBondContact N-O 3.27Å; F54-L224 PolarHBondContact O-N 3.38Å; M56-L224 HydrophobicContact CG-CB 3.92Å; M56-L224 HydrophobicContact SD-CB 3.84Å; M56-L224 HydrophobicContact SD-CD1 4.46Å; M175-L224 HydrophobicContact CE-CD1 4.33Å; M175-L224 HydrophobicContact CE-CD2 4.1Å; M175-L224 HydrophobicContact CG-CD1 4.5Å; Q213-L224 HydrophobicContact CG-CD1 3.78Å; V215-L224 HydrophobicContact CG2-CD1 4.1Å; L224-I226 HydrophobicContact CD1-CD1 4.34Å; L224-I226 HydrophobicContact CD2-CD1 3.97Å; L224-I226 HydrophobicContact CD2-CG1 4.01Å; L224-I226 HydrophobicContact CG-CD1 3.85Å; L224-I226 HydrophobicContact CG-CG1 3.96Å; L224-F397 HydrophobicContact CD2-CD1 4.44Å; L224-F397 HydrophobicContact CD2-CD2 4.12Å; L224-F397 HydrophobicContact CD2-CE1 4.31Å; L224-F397 HydrophobicContact CD2-CE2 3.98Å; L224-F397 HydrophobicContact CD2-CG 4.35Å; L224-F397 HydrophobicContact CD2-CZ 4.07Å; L224-V410 HydrophobicContact CB-CG1 4.33Å; L224-V410 HydrophobicContact CD2-CG1 3.82Å; L224-V410 HydrophobicContact CD2-CG2 4.39Å
225	N	98.1	Very high	94.1	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.9	174.8	174.9	-135.3	0	0	0	110.4	N52 F53 Q213 S214 H721	N52-N225 PolarHBondContact ND2-ND2 3.35Å; N52-N225 WeakPolarHBondContact O-CA 3.29Å; N52-N225 PolarHBondContact O-ND2 3.47Å; N52-N225 PolarHBondContact OD1-ND2 3.4Å; F53-N225 HydrophobicContact CD2-CB 4.02Å; F53-N225 WeakPolarHBondContact CD2-ND2 3.46Å; F53-N225 HydrophobicContact CE2-CB 3.75Å; F53-N225 VanDerWaalsContact CE2-CG 3.48Å; F53-N225 VanDerWaalsContact CE2-ND2 3.3Å; F53-N225 WeakPolarHBondContact CE2-ND2 3.36Å; F53-N225 HydrophobicContact CZ-CB 4.03Å; Q213-N225 WeakPolarHBondContact CA-O 3.28Å; S214-N225 PolarHBondContact N-O 3.18Å; S214-N225 VanDerWaalsContact N-O 3.09Å; S214-N225 PolarHBondContact O-N 2.8Å; N225-H721 PolarHBondContact ND2-O 2.7Å; N225-H721 WeakPolarHBondContact OD1-CB 3.44Å
226	I	97.9	Very high	94.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.5	179.9	-60.4	-58.5	0	0	0	110.5	N52 F54 H212 Q213 L224 I388 L391 M392 F397	N52-I226 VanDerWaalsContact CB-O 3.32Å; N52-I226 WeakPolarHBondContact CB-O 3.35Å; N52-I226 PolarHBondContact ND2-O 3.03Å; N52-I226 PolarHBondContact O-N 2.92Å; F54-I226 HydrophobicContact CD2-CB 4.21Å; F54-I226 HydrophobicContact CD2-CG1 4.19Å; F54-I226 HydrophobicContact CE2-CB 3.98Å; F54-I226 HydrophobicContact CE2-CG1 4.42Å; H212-I226 WeakPolarHBondContact O-CA 3.18Å; Q213-I226 HydrophobicContact CB-CD1 3.79Å; Q213-I226 HydrophobicContact CG-CD1 3.7Å; L224-I226 HydrophobicContact CD1-CD1 4.34Å; L224-I226 HydrophobicContact CD2-CD1 3.97Å; L224-I226 HydrophobicContact CD2-CG1 4.01Å; L224-I226 HydrophobicContact CG-CD1 3.85Å; L224-I226 HydrophobicContact CG-CG1 3.96Å; I226-I388 HydrophobicContact CG2-CG2 4.39Å; I226-L391 HydrophobicContact CG2-CD2 3.62Å; I226-M392 HydrophobicContact CB-SD 4.11Å; I226-M392 HydrophobicContact CG1-SD 3.61Å; I226-M392 HydrophobicContact CG2-SD 4.28Å; I226-F397 HydrophobicContact CD1-CE2 4.46Å; I226-F397 HydrophobicContact CD1-CZ 4.08Å
227	D	97.3	Very high	94.1	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.4	175.7	-169.7	28.7	0	0	0	110.6	F211 H212 R384 H721 R723	F211-D227 CarbonylContact C-O 3.47Å; F211-D227 VanDerWaalsContact CA-O 3.3Å; F211-D227 WeakPolarHBondContact CA-O 3.46Å; H212-D227 HydrophobicContact CB-CB 4.28Å; H212-D227 PolarHBondContact N-O 3.43Å; H212-D227 PolarHBondContact O-N 3.23Å; D227-R384 IonicContact OD1-CZ 2.96Å; D227-R384 IonicContact OD1-NH1 2.94Å; D227-R384 PolarHBondContact OD1-NH1 3.01Å; D227-R384 IonicContact OD2-CZ 2.91Å; D227-R384 IonicContact OD2-NH1 2.89Å; D227-R384 PolarHBondContact OD2-NH1 3.02Å; D227-H721 HydrophobicContact CB-CB 4.05Å; D227-H721 IonicContact OD2-ND1 3.46Å; D227-R723 IonicContact OD2-CZ 3.61Å; D227-R723 IonicContact OD2-NE 3.36Å; D227-R723 IonicContact OD2-NH2 2.82Å; D227-R723 PolarHBondContact OD2-NH2 2.96Å
228	V	94.5	Very high	94.3	Very high	19 Å²	19	25 Å²	25	12%	0.115	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.8	173.1	-65.6	0	0	0	0	110.4	R384 E387 I388 L391	V228-R384 HydrophobicContact CG2-CG 3.93Å; V228-R384 PolarHBondContact O-NH1 3.36Å; V228-R384 PolarHBondContact O-NH2 3.43Å; V228-E387 HydrophobicContact CG1-CB 4.12Å; V228-I388 HydrophobicContact CG1-CG1 3.97Å; V228-I388 HydrophobicContact CG2-CG1 4.21Å; V228-L391 HydrophobicContact CG1-CD2 4.18Å
229	S	91.8	Very high	94.5	Very high	18 Å²	18	25 Å²	25	13%	0.126	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.8	-176.1	74.3	0	0	0	0	111.3	F191 G210	F191-S229 VanDerWaalsContact CE1-OG 3.26Å; F191-S229 WeakPolarHBondContact CE1-OG 3.46Å; F191-S229 VanDerWaalsContact CZ-OG 3.22Å; F191-S229 WeakPolarHBondContact CZ-OG 3.45Å; G210-S229 CarbonylContact C-O 3.56Å; G210-S229 PolarHBondContact N-O 2.79Å; G210-S229 PolarHBondContact O-N 3.46Å; G210-S229 VanDerWaalsContact O-O 3.05Å
230	A	92.4	Very high	94.9	Very high	26 Å²	26	23.6 Å²	23.6	22%	0.215	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.4	176.3	0	0	0	0	0	109.4	V207 W208 F209 M373 T377	V207-A230 HydrophobicContact CG1-CB 3.87Å; W208-A230 VanDerWaalsContact O-CA 3.3Å; W208-A230 WeakPolarHBondContact O-CA 3.49Å; F209-A230 HydrophobicContact CD1-CB 3.94Å; F209-A230 HydrophobicContact CE1-CB 4.06Å; A230-M373 WeakPolarHBondContact O-CE 3.21Å; A230-T377 HydrophobicContact CB-CG2 3.34Å
231	T	94.3	Very high	95.8	Very high	20 Å²	20	21 Å²	21	12%	0.123	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158	176.5	-170.8	0	0	0	0	110.6	F191 W208 F233	F191-T231 HydrophobicContact CD1-CG2 3.82Å; F191-T231 HydrophobicContact CD2-CG2 4.07Å; F191-T231 HydrophobicContact CE1-CG2 3.56Å; F191-T231 HydrophobicContact CE2-CG2 3.8Å; F191-T231 HydrophobicContact CG-CG2 4.08Å; F191-T231 HydrophobicContact CZ-CG2 3.54Å; W208-T231 PolarHBondContact N-O 3.15Å; W208-T231 PolarHBondContact O-N 3.16Å; W208-T231 VanDerWaalsContact O-N 3.07Å; T231-F233 HydrophobicContact CG2-CD2 3.85Å; T231-F233 HydrophobicContact CG2-CE2 3.31Å; T231-F233 HydrophobicContact CG2-CZ 4.23Å
232	A	94.9	Very high	96.1	Very high	3 Å²	3	18.2 Å²	18.2	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.2	177.7	0	0	0	0	0	111.7	L201 E206 C361 L365	L201-A232 HydrophobicContact CD1-CB 3.78Å; E206-A232 CarbonylContact O-C 3.16Å; E206-A232 WeakPolarHBondContact O-CA 3.47Å; A232-C361 HydrophobicContact CB-CB 3.88Å; A232-C361 PolarHBondContact O-N 2.76Å; A232-L365 HydrophobicContact CB-CD1 4.27Å; A232-L365 HydrophobicContact CB-CD2 3.93Å
233	F	96.2	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.4	170.5	-80.7	-101	0	0	0	109.9	T184 V186 F191 R205 E206 W208 T231 Q359 R360	T184-F233 HydrophobicContact CG2-CE1 4.04Å; T184-F233 HydrophobicContact CG2-CZ 4.27Å; V186-F233 HydrophobicContact CG2-CZ 4.09Å; F191-F233 HydrophobicContact CB-CE2 3.73Å; F191-F233 HydrophobicContact CB-CZ 3.75Å; F191-F233 HydrophobicContact CD1-CE2 4.25Å; F191-F233 HydrophobicContact CD2-CE2 4.34Å; F191-F233 HydrophobicContact CD2-CZ 4.35Å; F191-F233 AromaticContact CG-CE2 3.85Å; F191-F233 HydrophobicContact CG-CE2 3.85Å; F191-F233 HydrophobicContact CG-CZ 4.11Å; R205-F233 CarbonylContact C-O 3.6Å; R205-F233 VanDerWaalsContact CA-O 3.29Å; R205-F233 WeakPolarHBondContact CA-O 3.33Å; E206-F233 PolarHBondContact N-O 3.49Å; E206-F233 PolarHBondContact O-N 2.99Å; W208-F233 HydrophobicContact CB-CD2 3.46Å; W208-F233 VanDerWaalsContact CB-CD2 3.46Å; W208-F233 HydrophobicContact CB-CE2 3.74Å; W208-F233 HydrophobicContact CB-CG 4.28Å; W208-F233 HydrophobicContact CD2-CB 3.99Å; W208-F233 AromaticContact CD2-CD1 3.95Å; W208-F233 HydrophobicContact CD2-CD1 3.95Å; W208-F233 AromaticContact CD2-CD2 3.64Å; W208-F233 HydrophobicContact CD2-CD2 3.64Å; W208-F233 HydrophobicContact CD2-CE1 4.35Å; W208-F233 HydrophobicContact CD2-CE2 4.01Å; W208-F233 AromaticContact CD2-CG 3.59Å; W208-F233 HydrophobicContact CD2-CG 3.59Å; W208-F233 HydrophobicContact CD2-CZ 4.37Å; W208-F233 AromaticContact CE2-CG 3.98Å; W208-F233 AromaticContact CE3-CD1 3.83Å; W208-F233 HydrophobicContact CE3-CD1 3.83Å; W208-F233 AromaticContact CE3-CD2 3.9Å; W208-F233 HydrophobicContact CE3-CD2 3.9Å; W208-F233 AromaticContact CE3-CE1 3.79Å; W208-F233 HydrophobicContact CE3-CE1 3.79Å; W208-F233 AromaticContact CE3-CE2 3.81Å; W208-F233 HydrophobicContact CE3-CE2 3.81Å; W208-F233 AromaticContact CE3-CG 3.9Å; W208-F233 HydrophobicContact CE3-CG 3.9Å; W208-F233 AromaticContact CE3-CZ 3.77Å; W208-F233 HydrophobicContact CE3-CZ 3.77Å; W208-F233 HydrophobicContact CG-CB 3.97Å; W208-F233 AromaticContact CG-CD2 3.45Å; W208-F233 HydrophobicContact CG-CD2 3.45Å; W208-F233 VanDerWaalsContact CG-CD2 3.45Å; W208-F233 HydrophobicContact CG-CE2 4.02Å; W208-F233 AromaticContact CG-CG 3.76Å; W208-F233 HydrophobicContact CG-CG 3.76Å; W208-F233 HydrophobicContact CH2-CD1 4.39Å; W208-F233 HydrophobicContact CZ2-CD1 4.47Å; W208-F233 HydrophobicContact CZ3-CD1 4.07Å; W208-F233 AromaticContact CZ3-CE1 3.97Å; W208-F233 HydrophobicContact CZ3-CE1 3.97Å; W208-F233 HydrophobicContact CZ3-CZ 4.33Å; T231-F233 HydrophobicContact CG2-CD2 3.85Å; T231-F233 HydrophobicContact CG2-CE2 3.31Å; T231-F233 HydrophobicContact CG2-CZ 4.23Å; F233-Q359 WeakPolarHBondContact CA-O 3.44Å; F233-Q359 VanDerWaalsContact CD1-C 3.42Å; F233-R360 HydrophobicContact CD1-CB 4.4Å; F233-R360 HydrophobicContact CE1-CB 4.08Å; F233-R360 HydrophobicContact CZ-CB 4.31Å
234	Y	96.1	Very high	96	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135	166.8	-68.5	-77.2	0	0	0	109.4	G204 R205 F242 L274 Q359 C361	G204-Y234 WeakPolarHBondContact O-CA 3.36Å; R205-Y234 HydrophobicContact CG-CD1 4.1Å; R205-Y234 HydrophobicContact CG-CE1 4.11Å; Y234-F242 AromaticContact CD1-CE2 3.81Å; Y234-F242 HydrophobicContact CD1-CE2 3.81Å; Y234-F242 HydrophobicContact CD1-CZ 4.42Å; Y234-F242 HydrophobicContact CE1-CE2 4.09Å; Y234-F242 HydrophobicContact CE1-CZ 4.3Å; Y234-L274 HydrophobicContact CD1-CD1 3.95Å; Y234-L274 HydrophobicContact CD2-CD1 4.28Å; Y234-L274 HydrophobicContact CD2-CD2 3.66Å; Y234-L274 HydrophobicContact CE1-CD1 3.87Å; Y234-L274 HydrophobicContact CE1-CD2 4.39Å; Y234-L274 HydrophobicContact CE2-CD1 4.23Å; Y234-L274 HydrophobicContact CE2-CD2 3.3Å; Y234-L274 HydrophobicContact CE2-CG 4.41Å; Y234-L274 HydrophobicContact CG-CD1 4.14Å; Y234-L274 HydrophobicContact CG-CD2 4.35Å; Y234-Q359 HydrophobicContact CD2-CB 4.24Å; Y234-Q359 WeakPolarHBondContact CD2-O 3.46Å; Y234-Q359 PolarHBondContact N-O 3.38Å; Y234-C361 HydrophobicContact CD2-CB 4.33Å; Y234-C361 HydrophobicContact CE2-CB 3.95Å
235	K	95.9	Very high	95.9	Very high	33 Å²	33	21 Å²	21	14%	0.143	12%	0.124	C	C	.	.			trans	-62.3	140.9	176.2	-65	-178.8	179.8	177.5	0	110	G204 R205 E206 Q237 E245 I355	G204-K235 PolarHBondContact O-N 3.1Å; R205-K235 WeakPolarHBondContact O-CE 3.36Å; E206-K235 HydrophobicContact CB-CG 3.96Å; E206-K235 HydrophobicContact CG-CG 3.85Å; K235-Q237 HydrophobicContact CB-CB 4.47Å; K235-Q237 HydrophobicContact CB-CG 4.1Å; K235-Q237 PolarHBondContact O-N 3.27Å; K235-E245 IonicContact NZ-OE1 3.23Å; K235-E245 PolarHBondContact NZ-OE1 3.4Å; K235-E245 IonicContact NZ-OE2 3.01Å; K235-E245 PolarHBondContact NZ-OE2 3.15Å; K235-I355 WeakPolarHBondContact O-CB 3.45Å; K235-I355 WeakPolarHBondContact O-CG2 3.38Å
236	A	95.4	Very high	95.7	Very high	66 Å²	66	21.2 Å²	21.2	55%	0.545	13%	0.126	S	C	.	.			trans	-80.1	97.3	168.5	0	0	0	0	0	108.8	I355 A357	A236-I355 WeakPolarHBondContact CA-O 3.33Å; A236-A357 HydrophobicContact CB-CB 3.76Å
237	Q	95.9	Very high	95.5	Very high	16 Å²	16	21.9 Å²	21.9	8%	0.075	13%	0.129	C	C	.	.			trans	-151.4	162.8	-172.4	67.3	-173.3	7.1	0	0	111.6	K235 F242 E245 N354 I355	K235-Q237 HydrophobicContact CB-CB 4.47Å; K235-Q237 HydrophobicContact CB-CG 4.1Å; K235-Q237 PolarHBondContact O-N 3.27Å; Q237-F242 HydrophobicContact CG-CB 4.26Å; Q237-F242 VanDerWaalsContact NE2-CA 3.31Å; Q237-E245 PolarHBondContact OE1-OE1 3.26Å; Q237-N354 WeakPolarHBondContact O-CA 3.49Å; Q237-I355 PolarHBondContact O-N 3.37Å
238	P	97.5	Very high	95.2	Very high	47 Å²	47	27.9 Å²	27.9	31%	0.305	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-53.3	142	171.3	-26	35.5	0	0	0	112.4	I240 E241 F242 N354	P238-I240 PolarHBondContact O-N 3.46Å; P238-E241 HydrophobicContact CB-CG 4.34Å; P238-E241 HydrophobicContact CG-CG 4.43Å; P238-E241 PolarHBondContact O-N 2.97Å; P238-E241 VanDerWaalsContact O-N 3.13Å; P238-F242 PolarHBondContact O-N 3.46Å; P238-N354 WeakPolarHBondContact CA-OD1 3.36Å
239	V	97.7	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-28.9	179	168.4	0	0	0	0	111.7	F242 M243 F267 I271 V276 L337 L350 C353 I355	V239-F242 PolarHBondContact O-N 3.36Å; V239-M243 WeakPolarHBondContact O-CB 3.41Å; V239-M243 PolarHBondContact O-N 2.84Å; V239-F267 HydrophobicContact CG1-CZ 3.99Å; V239-I271 HydrophobicContact CG1-CD1 3.65Å; V239-I271 HydrophobicContact CG2-CD1 4.21Å; V239-V276 HydrophobicContact CG2-CG1 3.87Å; V239-L337 HydrophobicContact CG1-CD1 4.2Å; V239-L337 HydrophobicContact CG2-CD1 4.22Å; V239-L350 HydrophobicContact CG1-CB 4.08Å; V239-L350 HydrophobicContact CG1-CD2 4.02Å; V239-L350 HydrophobicContact CG1-CG 4.47Å; V239-C353 HydrophobicContact CB-CB 4.13Å; V239-C353 HydrophobicContact CG2-CB 3.57Å; V239-C353 WeakPolarHBondContact CG2-O 3.42Å; V239-C353 PolarHBondContact N-O 3.33Å; V239-I355 HydrophobicContact CG2-CD1 3.94Å; V239-I355 HydrophobicContact CG2-CG1 4.34Å
240	I	96.8	Very high	94.8	Very high	18 Å²	18	36.8 Å²	36.8	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-50.2	173.1	-63.3	-67.2	0	0	0	111	P238 F242 M243 C244 I252 Y331 L334 L350 E351	P238-I240 PolarHBondContact O-N 3.46Å; I240-F242 VanDerWaalsContact C-N 3.34Å; I240-F242 PolarHBondContact O-N 3.13Å; I240-M243 WeakPolarHBondContact O-CB 3.43Å; I240-M243 PolarHBondContact O-N 3.01Å; I240-C244 PolarHBondContact O-N 2.61Å; I240-C244 PolarHBondContact O-SG 2.79Å; I240-C244 VanDerWaalsContact O-SG 3.36Å; I240-I252 HydrophobicContact CG2-CB 4.05Å; I240-I252 HydrophobicContact CG2-CD1 4.09Å; I240-I252 HydrophobicContact CG2-CG1 3.93Å; I240-Y331 HydrophobicContact CD1-CD2 3.96Å; I240-Y331 HydrophobicContact CD1-CE2 4.47Å; I240-Y331 HydrophobicContact CG1-CD2 4.35Å; I240-Y331 HydrophobicContact CG1-CE2 4.43Å; I240-L334 HydrophobicContact CD1-CD1 3.58Å; I240-L350 HydrophobicContact CD1-CB 3.54Å; I240-L350 HydrophobicContact CD1-CD1 4.32Å; I240-L350 HydrophobicContact CG1-CB 4.28Å; I240-E351 HydrophobicContact CD1-CB 4.5Å; I240-E351 HydrophobicContact CG1-CB 4.22Å
241	E	96.2	Very high	94.5	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-40.3	177.6	-67.9	178.2	-164.7	0	0	111.7	P238 M243 C244 E245	P238-E241 HydrophobicContact CB-CG 4.34Å; P238-E241 HydrophobicContact CG-CG 4.43Å; P238-E241 PolarHBondContact O-N 2.97Å; P238-E241 VanDerWaalsContact O-N 3.13Å; E241-M243 VanDerWaalsContact C-N 3.31Å; E241-M243 PolarHBondContact O-N 2.93Å; E241-C244 PolarHBondContact O-N 3.43Å; E241-E245 PolarHBondContact O-N 2.9Å
242	F	97.1	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-42.6	173.3	178.6	-93.5	0	0	0	112.2	Y234 Q237 P238 V239 I240 E245 V246 F267 E270 I271 L274 I355	Y234-F242 AromaticContact CD1-CE2 3.81Å; Y234-F242 HydrophobicContact CD1-CE2 3.81Å; Y234-F242 HydrophobicContact CD1-CZ 4.42Å; Y234-F242 HydrophobicContact CE1-CE2 4.09Å; Y234-F242 HydrophobicContact CE1-CZ 4.3Å; Q237-F242 HydrophobicContact CG-CB 4.26Å; Q237-F242 VanDerWaalsContact NE2-CA 3.31Å; P238-F242 PolarHBondContact O-N 3.46Å; V239-F242 PolarHBondContact O-N 3.36Å; I240-F242 VanDerWaalsContact C-N 3.34Å; I240-F242 PolarHBondContact O-N 3.13Å; F242-E245 PolarHBondContact O-N 2.93Å; F242-V246 HydrophobicContact CD1-CG2 4.32Å; F242-V246 HydrophobicContact CE1-CG2 3.84Å; F242-V246 HydrophobicContact CE2-CG2 4.22Å; F242-V246 HydrophobicContact CZ-CG2 3.78Å; F242-V246 VanDerWaalsContact O-CG2 3.3Å; F242-V246 WeakPolarHBondContact O-CG2 3.25Å; F242-V246 PolarHBondContact O-N 3.33Å; F242-V246 VanDerWaalsContact O-N 3.08Å; F242-F267 AromaticContact CD1-CE2 3.93Å; F242-F267 HydrophobicContact CD1-CE2 3.93Å; F242-F267 HydrophobicContact CE1-CE2 4.18Å; F242-E270 HydrophobicContact CE1-CB 4.33Å; F242-E270 HydrophobicContact CZ-CB 4.18Å; F242-I271 HydrophobicContact CD1-CD1 4.25Å; F242-I271 HydrophobicContact CE1-CB 3.98Å; F242-I271 HydrophobicContact CE1-CD1 4.39Å; F242-I271 HydrophobicContact CE1-CG1 4.25Å; F242-L274 HydrophobicContact CE2-CD1 4.38Å; F242-L274 HydrophobicContact CZ-CD1 4.01Å; F242-I355 HydrophobicContact CB-CD1 4.49Å; F242-I355 HydrophobicContact CB-CG1 4.1Å; F242-I355 HydrophobicContact CD1-CD1 4.34Å; F242-I355 HydrophobicContact CD2-CD1 4.41Å; F242-I355 HydrophobicContact CD2-CG1 4.21Å; F242-I355 HydrophobicContact CG-CD1 4.15Å; F242-I355 HydrophobicContact CG-CG1 4.11Å
243	M	96.6	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-45.3	175.4	-176.3	-171	68.3	0	0	111.2	V239 I240 E241 E245 V246 L247 I252 L259 F267 L334 L350	V239-M243 WeakPolarHBondContact O-CB 3.41Å; V239-M243 PolarHBondContact O-N 2.84Å; I240-M243 WeakPolarHBondContact O-CB 3.43Å; I240-M243 PolarHBondContact O-N 3.01Å; E241-M243 VanDerWaalsContact C-N 3.31Å; E241-M243 PolarHBondContact O-N 2.93Å; M243-E245 PolarHBondContact O-N 3.26Å; M243-V246 PolarHBondContact O-N 3.37Å; M243-L247 HydrophobicContact CG-CD1 3.74Å; M243-L247 HydrophobicContact CG-CG 4.27Å; M243-L247 WeakPolarHBondContact O-CB 3.46Å; M243-L247 WeakPolarHBondContact O-CG 3.33Å; M243-L247 PolarHBondContact O-N 2.59Å; M243-L247 HydrophobicContact SD-CD1 4.35Å; M243-I252 HydrophobicContact CE-CD1 3.38Å; M243-L259 HydrophobicContact SD-CD1 3.9Å; M243-L259 HydrophobicContact SD-CD2 4.28Å; M243-F267 HydrophobicContact CB-CD2 3.98Å; M243-F267 HydrophobicContact CB-CE2 3.65Å; M243-F267 HydrophobicContact CB-CZ 4.24Å; M243-F267 HydrophobicContact CG-CD2 3.83Å; M243-F267 HydrophobicContact CG-CE2 3.94Å; M243-F267 HydrophobicContact CG-CG 4.22Å; M243-F267 HydrophobicContact CG-CZ 4.43Å; M243-L334 HydrophobicContact CE-CD1 4.01Å; M243-L334 HydrophobicContact CE-CD2 4.16Å; M243-L334 HydrophobicContact SD-CD2 4.46Å; M243-L350 HydrophobicContact SD-CD1 3.79Å
244	C	95.5	Very high	92.5	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.088	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-46.8	177.3	-66.7	0	0	0	0	111.6	I240 E241 V246 L247 D248 F249	I240-C244 PolarHBondContact O-N 2.61Å; I240-C244 PolarHBondContact O-SG 2.79Å; I240-C244 VanDerWaalsContact O-SG 3.36Å; E241-C244 PolarHBondContact O-N 3.43Å; C244-V246 VanDerWaalsContact C-N 3.31Å; C244-V246 PolarHBondContact O-N 3.21Å; C244-L247 PolarHBondContact O-N 2.85Å; C244-D248 WeakPolarHBondContact O-CA 3.29Å; C244-D248 PolarHBondContact O-N 3.4Å; C244-F249 HydrophobicContact CB-CB 4.13Å; C244-F249 PolarHBondContact O-N 3.28Å
245	E	94.9	Very high	91.6	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-32.9	176.9	-75.6	-161.5	-147.2	0	0	113.5	G203 G204 K235 Q237 E241 F242 M243	G203-E245 WeakPolarHBondContact CA-O 3.33Å; G203-E245 PolarHBondContact N-OE2 2.82Å; G204-E245 VanDerWaalsContact CA-OE2 3.26Å; G204-E245 WeakPolarHBondContact CA-OE2 3.26Å; G204-E245 PolarHBondContact N-OE2 2.99Å; K235-E245 IonicContact NZ-OE1 3.23Å; K235-E245 PolarHBondContact NZ-OE1 3.4Å; K235-E245 IonicContact NZ-OE2 3.01Å; K235-E245 PolarHBondContact NZ-OE2 3.15Å; Q237-E245 PolarHBondContact OE1-OE1 3.26Å; E241-E245 PolarHBondContact O-N 2.9Å; F242-E245 PolarHBondContact O-N 2.93Å; M243-E245 PolarHBondContact O-N 3.26Å
246	V	94.6	Very high	90.8	Very high	8 Å²	8	57 Å²	57	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-77.2	-35.7	179.1	166.1	0	0	0	0	111.9	F242 M243 C244 K266 E270	F242-V246 HydrophobicContact CD1-CG2 4.32Å; F242-V246 HydrophobicContact CE1-CG2 3.84Å; F242-V246 HydrophobicContact CE2-CG2 4.22Å; F242-V246 HydrophobicContact CZ-CG2 3.78Å; F242-V246 VanDerWaalsContact O-CG2 3.3Å; F242-V246 WeakPolarHBondContact O-CG2 3.25Å; F242-V246 PolarHBondContact O-N 3.33Å; F242-V246 VanDerWaalsContact O-N 3.08Å; M243-V246 PolarHBondContact O-N 3.37Å; C244-V246 VanDerWaalsContact C-N 3.31Å; C244-V246 PolarHBondContact O-N 3.21Å; V246-K266 HydrophobicContact CG1-CG 4.4Å; V246-K266 WeakPolarHBondContact O-CE 3.43Å; V246-K266 PolarHBondContact O-NZ 3.34Å; V246-E270 HydrophobicContact CG1-CB 3.98Å; V246-E270 HydrophobicContact CG1-CG 3.71Å; V246-E270 HydrophobicContact CG2-CB 4.02Å; V246-E270 HydrophobicContact CG2-CG 4.14Å
247	L	93.8	Very high	90.4	Very high	15 Å²	15	61.6 Å²	61.6	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-93.2	-0.6	-178.1	-60.8	-175.8	0	0	0	113.5	M243 C244 F249 L259 Q263 K266 F267	M243-L247 HydrophobicContact CG-CD1 3.74Å; M243-L247 HydrophobicContact CG-CG 4.27Å; M243-L247 WeakPolarHBondContact O-CB 3.46Å; M243-L247 WeakPolarHBondContact O-CG 3.33Å; M243-L247 PolarHBondContact O-N 2.59Å; M243-L247 HydrophobicContact SD-CD1 4.35Å; C244-L247 PolarHBondContact O-N 2.85Å; L247-F249 VanDerWaalsContact C-N 3.32Å; L247-F249 HydrophobicContact CB-CD1 4.28Å; L247-F249 HydrophobicContact CB-CD2 4.01Å; L247-F249 HydrophobicContact CB-CE1 4.09Å; L247-F249 HydrophobicContact CB-CE2 3.81Å; L247-F249 HydrophobicContact CB-CG 4.24Å; L247-F249 HydrophobicContact CB-CZ 3.85Å; L247-F249 HydrophobicContact CD1-CD2 4.43Å; L247-F249 HydrophobicContact CD1-CE2 3.65Å; L247-F249 HydrophobicContact CD1-CZ 3.94Å; L247-F249 HydrophobicContact CG-CE2 4.38Å; L247-L259 HydrophobicContact CD1-CD1 4.32Å; L247-L259 HydrophobicContact CD1-CD2 3.83Å; L247-Q263 HydrophobicContact CD1-CB 4.18Å; L247-Q263 HydrophobicContact CD2-CB 4.14Å; L247-Q263 HydrophobicContact CD2-CG 4.43Å; L247-K266 HydrophobicContact CD2-CB 4.19Å; L247-K266 HydrophobicContact CD2-CD 4.01Å; L247-K266 HydrophobicContact CD2-CG 4.27Å; L247-F267 HydrophobicContact CD2-CB 4.38Å
248	D	91.6	Very high	90.1	Very high	128 Å²	128	64.5 Å²	64.5	68%	0.684	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	36.5	-178.4	-57.6	-60	0	0	0	113	C244 K266	C244-D248 WeakPolarHBondContact O-CA 3.29Å; C244-D248 PolarHBondContact O-N 3.4Å; D248-K266 IonicContact OD2-NZ 3.12Å; D248-K266 PolarHBondContact OD2-NZ 2.96Å
249	F	90.9	Very high	89.9	Confident	32 Å²	32	63 Å²	63	14%	0.14	31%	0.307	C	S	.	.			trans	-86	139.2	171.5	-58.4	-27.5	0	0	0	110.5	C244 L247 Q255 L259	C244-F249 HydrophobicContact CB-CB 4.13Å; C244-F249 PolarHBondContact O-N 3.28Å; L247-F249 VanDerWaalsContact C-N 3.32Å; L247-F249 HydrophobicContact CB-CD1 4.28Å; L247-F249 HydrophobicContact CB-CD2 4.01Å; L247-F249 HydrophobicContact CB-CE1 4.09Å; L247-F249 HydrophobicContact CB-CE2 3.81Å; L247-F249 HydrophobicContact CB-CG 4.24Å; L247-F249 HydrophobicContact CB-CZ 3.85Å; L247-F249 HydrophobicContact CD1-CD2 4.43Å; L247-F249 HydrophobicContact CD1-CE2 3.65Å; L247-F249 HydrophobicContact CD1-CZ 3.94Å; L247-F249 HydrophobicContact CG-CE2 4.38Å; F249-Q255 HydrophobicContact CD2-CB 4.35Å; F249-Q255 HydrophobicContact CE2-CB 3.96Å; F249-Q255 HydrophobicContact CE2-CG 3.98Å; F249-Q255 HydrophobicContact CZ-CB 4.43Å; F249-Q255 HydrophobicContact CZ-CG 4.29Å; F249-Q255 VanDerWaalsContact CZ-OE1 3.27Å; F249-L259 HydrophobicContact CE2-CD2 4.29Å
250	K	87	Confident	89.7	Confident	192 Å²	192	66.5 Å²	66.5	84%	0.835	33%	0.329	S	S	*	.	S	Bend	trans	-76.6	-36.5	175.1	-63.4	-178.8	179.4	176.5	0	111.8	E254	K250-E254 WeakPolarHBondContact CB-OE1 3.34Å; K250-E254 PolarHBondContact N-OE2 2.86Å
251	S	85.9	Confident	89.5	Confident	41 Å²	41	69.3 Å²	69.3	29%	0.287	34%	0.344	S	S	.	.			trans	-145	152.9	179.4	170.4	0	0	0	0	109.2	E253 E254	S251-E253 PolarHBondContact O-N 2.78Å; S251-E253 WeakPolarHBondContact OG-CB 3.28Å; S251-E253 PolarHBondContact OG-N 2.91Å; S251-E253 VanDerWaalsContact OG-N 3.15Å; S251-E254 PolarHBondContact O-N 3.01Å
252	I	84.2	Confident	89.2	Confident	19 Å²	19	69.1 Å²	69.1	10%	0.097	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-62.9	-22.7	172.9	-168.8	56.8	0	0	0	112.4	I240 M243 E254 Q255 Y331 L334	I240-I252 HydrophobicContact CG2-CB 4.05Å; I240-I252 HydrophobicContact CG2-CD1 4.09Å; I240-I252 HydrophobicContact CG2-CG1 3.93Å; M243-I252 HydrophobicContact CE-CD1 3.38Å; I252-E254 PolarHBondContact O-N 2.79Å; I252-Q255 PolarHBondContact O-N 3.38Å; I252-Y331 HydrophobicContact CB-CE1 4.46Å; I252-Y331 HydrophobicContact CG1-CD1 3.98Å; I252-Y331 HydrophobicContact CG1-CE1 3.85Å; I252-Y331 HydrophobicContact CG1-CG 4.46Å; I252-Y331 HydrophobicContact CG2-CE1 3.73Å; I252-L334 HydrophobicContact CD1-CD1 3.99Å
253	E	80.2	Confident	89.1	Confident	152 Å²	152	71.3 Å²	71.3	71%	0.71	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23	179	-64.7	172.7	175.7	0	0	113	S251 Q255	S251-E253 PolarHBondContact O-N 2.78Å; S251-E253 WeakPolarHBondContact OG-CB 3.28Å; S251-E253 PolarHBondContact OG-N 2.91Å; S251-E253 VanDerWaalsContact OG-N 3.15Å; E253-Q255 PolarHBondContact O-N 3.39Å
254	E	78.6	Confident	89	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.509	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.6	-18.2	172.7	-64.7	-179.9	164.3	0	0	111.8	K250 S251 I252	K250-E254 WeakPolarHBondContact CB-OE1 3.34Å; K250-E254 PolarHBondContact N-OE2 2.86Å; S251-E254 PolarHBondContact O-N 3.01Å; I252-E254 PolarHBondContact O-N 2.79Å
255	Q	76.9	Confident	88.9	Confident	24 Å²	24	75.3 Å²	75.3	11%	0.112	38%	0.384	C	S	.	.			trans	-116.5	74.1	-175.3	-167	66.4	36.2	0	0	111.5	F249 I252 E253 K257 P258 L259 H333	F249-Q255 HydrophobicContact CD2-CB 4.35Å; F249-Q255 HydrophobicContact CE2-CB 3.96Å; F249-Q255 HydrophobicContact CE2-CG 3.98Å; F249-Q255 HydrophobicContact CZ-CB 4.43Å; F249-Q255 HydrophobicContact CZ-CG 4.29Å; F249-Q255 VanDerWaalsContact CZ-OE1 3.27Å; I252-Q255 PolarHBondContact O-N 3.38Å; E253-Q255 PolarHBondContact O-N 3.39Å; Q255-K257 VanDerWaalsContact C-N 3.33Å; Q255-K257 WeakPolarHBondContact CG-O 3.5Å; Q255-K257 PolarHBondContact NE2-O 3.02Å; Q255-P258 PolarHBondContact NE2-O 2.96Å; Q255-L259 HydrophobicContact CG-CD2 3.97Å; Q255-H333 PolarHBondContact O-NE2 3.23Å
256	Q	78.8	Confident	88.8	Confident	166 Å²	166	77.4 Å²	77.4	78%	0.776	39%	0.393	S	S	*	.			trans	-79.7	-13.7	173.7	-62.8	-175.5	-7.5	0	0	113.6	H333	Q256-H333 PolarHBondContact O-CD2 2.82Å
257	K	87	Confident	88.9	Confident	163 Å²	163	77 Å²	77	71%	0.709	39%	0.391	S	S	*	.	S	Bend	trans	-104.4	159.7	179.3	-68.7	-177.3	-179.5	178.7	0	111.5	Q255	Q255-K257 VanDerWaalsContact C-N 3.33Å; Q255-K257 WeakPolarHBondContact CG-O 3.5Å; Q255-K257 PolarHBondContact NE2-O 3.02Å
258	P	91.2	Very high	89	Confident	76 Å²	76	77.4 Å²	77.4	49%	0.494	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-53.6	151.6	169.6	-25	34.6	0	0	0	112.2	Q255	Q255-P258 PolarHBondContact NE2-O 2.96Å
259	L	92.8	Very high	89	Confident	15 Å²	15	78.4 Å²	78.4	8%	0.079	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-62.5	138	176.3	-60.1	179.9	0	0	0	110.7	M243 L247 F249 Q255 Q263 R264 L334 P335	M243-L259 HydrophobicContact SD-CD1 3.9Å; M243-L259 HydrophobicContact SD-CD2 4.28Å; L247-L259 HydrophobicContact CD1-CD1 4.32Å; L247-L259 HydrophobicContact CD1-CD2 3.83Å; F249-L259 HydrophobicContact CE2-CD2 4.29Å; Q255-L259 HydrophobicContact CG-CD2 3.97Å; L259-Q263 HydrophobicContact CB-CB 4.25Å; L259-R264 HydrophobicContact CB-CB 4.36Å; L259-L334 HydrophobicContact CD2-CD2 4.46Å; L259-L334 HydrophobicContact CG-CD2 4.43Å; L259-P335 HydrophobicContact CD1-CG 4.05Å
260	T	93.8	Very high	89.1	Confident	75 Å²	75	79 Å²	79	46%	0.46	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.9	158.2	168.3	62.5	0	0	0	0	110.7	S262 Q263 R264	T260-S262 PolarHBondContact O-N 3.46Å; T260-Q263 PolarHBondContact O-N 3.47Å; T260-Q263 VanDerWaalsContact O-N 3.15Å; T260-Q263 WeakPolarHBondContact OG1-CB 3.27Å; T260-Q263 VanDerWaalsContact OG1-CD 3.24Å; T260-Q263 VanDerWaalsContact OG1-CG 3.25Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.48Å; T260-Q263 PolarHBondContact OG1-N 3.12Å; T260-Q263 PolarHBondContact OG1-OE1 2.85Å; T260-R264 WeakPolarHBondContact O-CB 3.43Å; T260-R264 PolarHBondContact O-N 3.25Å
261	D	91.6	Very high	89.5	Confident	77 Å²	77	69.9 Å²	69.9	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-39.4	178.5	-79.9	-2.2	0	0	0	112	R264 V265 R295	D261-R264 PolarHBondContact O-N 2.74Å; D261-R264 IonicContact OD1-CZ 3.79Å; D261-R264 IonicContact OD1-NH1 3.55Å; D261-R264 PolarHBondContact OD1-NH1 2.87Å; D261-R264 IonicContact OD1-NH2 2.79Å; D261-R264 PolarHBondContact OD1-NH2 2.99Å; D261-R264 IonicContact OD2-NH2 3.55Å; D261-V265 WeakPolarHBondContact O-CB 3.43Å; D261-V265 VanDerWaalsContact O-CG2 3.23Å; D261-V265 WeakPolarHBondContact O-CG2 3.34Å; D261-V265 PolarHBondContact O-N 3.43Å; D261-R295 IonicContact OD2-NH1 3.56Å; D261-R295 IonicContact OD2-NH2 3.73Å
262	S	91.1	Very high	89.9	Confident	98 Å²	98	72.2 Å²	72.2	69%	0.685	36%	0.36	S	S	*	.	H	α-helix	trans	-63	-47.8	175.8	-177.1	0	0	0	0	112.4	T260 V265 K266	T260-S262 PolarHBondContact O-N 3.46Å; S262-V265 PolarHBondContact O-N 3.1Å; S262-K266 WeakPolarHBondContact O-CB 3.47Å; S262-K266 PolarHBondContact O-N 2.82Å
263	Q	93.8	Very high	90.3	Very high	45 Å²	45	72.8 Å²	72.8	21%	0.21	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-46.1	176.7	-74.1	164.2	-33.9	0	0	111.5	L247 L259 T260 V265 K266 F267	L247-Q263 HydrophobicContact CD1-CB 4.18Å; L247-Q263 HydrophobicContact CD2-CB 4.14Å; L247-Q263 HydrophobicContact CD2-CG 4.43Å; L259-Q263 HydrophobicContact CB-CB 4.25Å; T260-Q263 PolarHBondContact O-N 3.47Å; T260-Q263 VanDerWaalsContact O-N 3.15Å; T260-Q263 WeakPolarHBondContact OG1-CB 3.27Å; T260-Q263 VanDerWaalsContact OG1-CD 3.24Å; T260-Q263 VanDerWaalsContact OG1-CG 3.25Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.48Å; T260-Q263 PolarHBondContact OG1-N 3.12Å; T260-Q263 PolarHBondContact OG1-OE1 2.85Å; Q263-V265 VanDerWaalsContact C-N 3.33Å; Q263-V265 PolarHBondContact O-N 2.97Å; Q263-K266 PolarHBondContact O-N 2.91Å; Q263-F267 WeakPolarHBondContact O-CB 3.19Å; Q263-F267 PolarHBondContact O-N 2.8Å
264	R	95.6	Very high	91	Very high	31 Å²	31	66.1 Å²	66.1	12%	0.117	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-45.5	177.6	-175.2	-177.2	64.3	-115	-5.6	110.8	L259 T260 D261 F267 T268 V293 T294	L259-R264 HydrophobicContact CB-CB 4.36Å; T260-R264 WeakPolarHBondContact O-CB 3.43Å; T260-R264 PolarHBondContact O-N 3.25Å; D261-R264 PolarHBondContact O-N 2.74Å; D261-R264 IonicContact OD1-CZ 3.79Å; D261-R264 IonicContact OD1-NH1 3.55Å; D261-R264 PolarHBondContact OD1-NH1 2.87Å; D261-R264 IonicContact OD1-NH2 2.79Å; D261-R264 PolarHBondContact OD1-NH2 2.99Å; D261-R264 IonicContact OD2-NH2 3.55Å; R264-F267 PolarHBondContact O-N 3.08Å; R264-T268 VanDerWaalsContact O-CB 3.3Å; R264-T268 WeakPolarHBondContact O-CB 3.5Å; R264-T268 PolarHBondContact O-N 3.07Å; R264-T268 PolarHBondContact O-OG1 3.22Å; R264-V293 HydrophobicContact CG-CG1 4.32Å; R264-T294 WeakPolarHBondContact CD-O 3.47Å
265	V	93.3	Very high	91.8	Very high	66 Å²	66	64.7 Å²	64.7	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-42.3	177.8	169.9	0	0	0	0	111.2	D261 S262 Q263 T268 K269	D261-V265 WeakPolarHBondContact O-CB 3.43Å; D261-V265 VanDerWaalsContact O-CG2 3.23Å; D261-V265 WeakPolarHBondContact O-CG2 3.34Å; D261-V265 PolarHBondContact O-N 3.43Å; S262-V265 PolarHBondContact O-N 3.1Å; Q263-V265 VanDerWaalsContact C-N 3.33Å; Q263-V265 PolarHBondContact O-N 2.97Å; V265-T268 PolarHBondContact O-N 2.76Å; V265-K269 HydrophobicContact CG1-CD 4.21Å; V265-K269 HydrophobicContact CG1-CG 4.49Å; V265-K269 WeakPolarHBondContact O-CB 3.32Å; V265-K269 VanDerWaalsContact O-CG 3.31Å; V265-K269 WeakPolarHBondContact O-CG 3.34Å; V265-K269 PolarHBondContact O-N 3.28Å
266	K	93	Very high	92.8	Very high	94 Å²	94	63.5 Å²	63.5	41%	0.409	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-49.4	174.7	-173.7	-178.4	178.1	-161	0	111.1	V246 L247 D248 S262 Q263 K269 E270	V246-K266 HydrophobicContact CG1-CG 4.4Å; V246-K266 WeakPolarHBondContact O-CE 3.43Å; V246-K266 PolarHBondContact O-NZ 3.34Å; L247-K266 HydrophobicContact CD2-CB 4.19Å; L247-K266 HydrophobicContact CD2-CD 4.01Å; L247-K266 HydrophobicContact CD2-CG 4.27Å; D248-K266 IonicContact OD2-NZ 3.12Å; D248-K266 PolarHBondContact OD2-NZ 2.96Å; S262-K266 WeakPolarHBondContact O-CB 3.47Å; S262-K266 PolarHBondContact O-N 2.82Å; Q263-K266 PolarHBondContact O-N 2.91Å; K266-K269 PolarHBondContact O-N 3.45Å; K266-E270 PolarHBondContact O-N 3.14Å
267	F	96.2	Very high	93.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-46.2	177.2	174.4	-117.7	0	0	0	112.6	V239 F242 M243 L247 Q263 R264 K269 E270 I271 V293 L337 L350	V239-F267 HydrophobicContact CG1-CZ 3.99Å; F242-F267 AromaticContact CD1-CE2 3.93Å; F242-F267 HydrophobicContact CD1-CE2 3.93Å; F242-F267 HydrophobicContact CE1-CE2 4.18Å; M243-F267 HydrophobicContact CB-CD2 3.98Å; M243-F267 HydrophobicContact CB-CE2 3.65Å; M243-F267 HydrophobicContact CB-CZ 4.24Å; M243-F267 HydrophobicContact CG-CD2 3.83Å; M243-F267 HydrophobicContact CG-CE2 3.94Å; M243-F267 HydrophobicContact CG-CG 4.22Å; M243-F267 HydrophobicContact CG-CZ 4.43Å; L247-F267 HydrophobicContact CD2-CB 4.38Å; Q263-F267 WeakPolarHBondContact O-CB 3.19Å; Q263-F267 PolarHBondContact O-N 2.8Å; R264-F267 PolarHBondContact O-N 3.08Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 3.04Å; F267-E270 PolarHBondContact O-N 3.15Å; F267-I271 HydrophobicContact CD1-CG2 4.38Å; F267-I271 HydrophobicContact CE1-CG2 4.04Å; F267-I271 HydrophobicContact CE2-CB 4.16Å; F267-I271 HydrophobicContact CE2-CD1 3.94Å; F267-I271 HydrophobicContact CE2-CG2 4.25Å; F267-I271 HydrophobicContact CZ-CB 4.24Å; F267-I271 HydrophobicContact CZ-CD1 3.61Å; F267-I271 HydrophobicContact CZ-CG2 3.97Å; F267-I271 WeakPolarHBondContact O-CG2 3.36Å; F267-I271 PolarHBondContact O-N 2.91Å; F267-V293 HydrophobicContact CD1-CG1 4.13Å; F267-V293 HydrophobicContact CD1-CG2 4.02Å; F267-V293 HydrophobicContact CE1-CG1 4.16Å; F267-V293 HydrophobicContact CE1-CG2 3.92Å; F267-L337 HydrophobicContact CE1-CD2 4.19Å; F267-L337 HydrophobicContact CZ-CD2 4.28Å; F267-L350 HydrophobicContact CE1-CD1 4.35Å; F267-L350 HydrophobicContact CE1-CD2 4.27Å; F267-L350 HydrophobicContact CZ-CD1 4.4Å; F267-L350 HydrophobicContact CZ-CD2 4.35Å
268	T	95.4	Very high	93.9	Very high	22 Å²	22	50.3 Å²	50.3	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-45.4	177.9	-54.9	0	0	0	0	110.9	R264 V265 E270 I271 K272 V293	R264-T268 VanDerWaalsContact O-CB 3.3Å; R264-T268 WeakPolarHBondContact O-CB 3.5Å; R264-T268 PolarHBondContact O-N 3.07Å; R264-T268 PolarHBondContact O-OG1 3.22Å; V265-T268 PolarHBondContact O-N 2.76Å; T268-E270 PolarHBondContact O-N 2.89Å; T268-I271 PolarHBondContact O-N 3.23Å; T268-K272 WeakPolarHBondContact O-CB 3.39Å; T268-K272 PolarHBondContact O-N 3.25Å; T268-V293 HydrophobicContact CG2-CB 4.27Å; T268-V293 HydrophobicContact CG2-CG2 4.15Å; T268-V293 WeakPolarHBondContact OG1-CB 3.46Å
269	K	90.9	Very high	93.9	Very high	149 Å²	149	50 Å²	50	65%	0.648	26%	0.264	S	S	*	.	H	α-helix	trans	-59.2	-30.2	176.6	-78.8	177.7	179.9	177.9	0	112.2	V265 K266 F267 K363	V265-K269 HydrophobicContact CG1-CD 4.21Å; V265-K269 HydrophobicContact CG1-CG 4.49Å; V265-K269 WeakPolarHBondContact O-CB 3.32Å; V265-K269 VanDerWaalsContact O-CG 3.31Å; V265-K269 WeakPolarHBondContact O-CG 3.34Å; V265-K269 PolarHBondContact O-N 3.28Å; K266-K269 PolarHBondContact O-N 3.45Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 3.04Å; K269-K363 PolarHBondContact O-NZ 3.44Å
270	E	94.1	Very high	93.6	Very high	46 Å²	46	50.7 Å²	50.7	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-85.9	-44.1	-179.7	-72.8	-59.7	154.5	0	0	113.5	R205 F242 V246 K266 F267 T268 K363	R205-E270 IonicContact CZ-OE2 3.52Å; R205-E270 IonicContact NH2-OE1 3.64Å; R205-E270 PolarHBondContact NH2-OE1 2.69Å; R205-E270 IonicContact NH2-OE2 3.13Å; R205-E270 PolarHBondContact NH2-OE2 3.26Å; F242-E270 HydrophobicContact CE1-CB 4.33Å; F242-E270 HydrophobicContact CZ-CB 4.18Å; V246-E270 HydrophobicContact CG1-CB 3.98Å; V246-E270 HydrophobicContact CG1-CG 3.71Å; V246-E270 HydrophobicContact CG2-CB 4.02Å; V246-E270 HydrophobicContact CG2-CG 4.14Å; K266-E270 PolarHBondContact O-N 3.14Å; F267-E270 PolarHBondContact O-N 3.15Å; T268-E270 PolarHBondContact O-N 2.89Å; E270-K363 PolarHBondContact O-NZ 2.83Å
271	I	96	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-86	-24.9	-175.5	-159.8	162.5	0	0	0	114.4	V239 F242 F267 T268 G273 L274 V290 V293 L337 I355	V239-I271 HydrophobicContact CG1-CD1 3.65Å; V239-I271 HydrophobicContact CG2-CD1 4.21Å; F242-I271 HydrophobicContact CD1-CD1 4.25Å; F242-I271 HydrophobicContact CE1-CB 3.98Å; F242-I271 HydrophobicContact CE1-CD1 4.39Å; F242-I271 HydrophobicContact CE1-CG1 4.25Å; F267-I271 HydrophobicContact CD1-CG2 4.38Å; F267-I271 HydrophobicContact CE1-CG2 4.04Å; F267-I271 HydrophobicContact CE2-CB 4.16Å; F267-I271 HydrophobicContact CE2-CD1 3.94Å; F267-I271 HydrophobicContact CE2-CG2 4.25Å; F267-I271 HydrophobicContact CZ-CB 4.24Å; F267-I271 HydrophobicContact CZ-CD1 3.61Å; F267-I271 HydrophobicContact CZ-CG2 3.97Å; F267-I271 WeakPolarHBondContact O-CG2 3.36Å; F267-I271 PolarHBondContact O-N 2.91Å; T268-I271 PolarHBondContact O-N 3.23Å; I271-G273 PolarHBondContact O-N 3.44Å; I271-L274 HydrophobicContact CG1-CD1 4.49Å; I271-L274 WeakPolarHBondContact O-CB 3.32Å; I271-L274 WeakPolarHBondContact O-CG 3.32Å; I271-L274 PolarHBondContact O-N 2.91Å; I271-V290 HydrophobicContact CG1-CG2 4.3Å; I271-V290 HydrophobicContact CG2-CG1 4.27Å; I271-V293 HydrophobicContact CG2-CG2 3.63Å; I271-L337 HydrophobicContact CD1-CD1 4.03Å; I271-L337 HydrophobicContact CD1-CD2 3.82Å; I271-L337 HydrophobicContact CG2-CD2 4.33Å; I271-I355 HydrophobicContact CD1-CD1 4.25Å; I271-I355 HydrophobicContact CG1-CD1 4.47Å
272	K	93.9	Very high	92.4	Very high	90 Å²	90	48.5 Å²	48.5	39%	0.391	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	129.1	179.2	-179.1	167.7	179.2	140.5	0	110.3	T268 C291 E342	T268-K272 WeakPolarHBondContact O-CB 3.39Å; T268-K272 PolarHBondContact O-N 3.25Å; K272-C291 WeakPolarHBondContact CD-O 3.25Å; K272-C291 WeakPolarHBondContact CE-O 3.41Å; K272-C291 WeakPolarHBondContact CG-O 3.44Å; K272-C291 PolarHBondContact NZ-O 2.96Å; K272-E342 IonicContact NZ-OE1 2.71Å; K272-E342 PolarHBondContact NZ-OE1 2.76Å
273	G	92.1	Very high	91.2	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-12.5	-177.7	0	0	0	0	0	114.9	I271 R289 V290	I271-G273 PolarHBondContact O-N 3.44Å; G273-R289 PolarHBondContact O-NH1 2.94Å; G273-V290 WeakPolarHBondContact CA-O 3.28Å; G273-V290 PolarHBondContact N-O 2.94Å
274	L	95.5	Very high	90	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.063	30%	0.296	C	S	.	.			trans	-76.1	152.8	176.6	-56.6	-172.8	0	0	0	111.5	Y234 F242 I271 V290 I355	Y234-L274 HydrophobicContact CD1-CD1 3.95Å; Y234-L274 HydrophobicContact CD2-CD1 4.28Å; Y234-L274 HydrophobicContact CD2-CD2 3.66Å; Y234-L274 HydrophobicContact CE1-CD1 3.87Å; Y234-L274 HydrophobicContact CE1-CD2 4.39Å; Y234-L274 HydrophobicContact CE2-CD1 4.23Å; Y234-L274 HydrophobicContact CE2-CD2 3.3Å; Y234-L274 HydrophobicContact CE2-CG 4.41Å; Y234-L274 HydrophobicContact CG-CD1 4.14Å; Y234-L274 HydrophobicContact CG-CD2 4.35Å; F242-L274 HydrophobicContact CE2-CD1 4.38Å; F242-L274 HydrophobicContact CZ-CD1 4.01Å; I271-L274 HydrophobicContact CG1-CD1 4.49Å; I271-L274 WeakPolarHBondContact O-CB 3.32Å; I271-L274 WeakPolarHBondContact O-CG 3.32Å; I271-L274 PolarHBondContact O-N 2.91Å; L274-V290 PolarHBondContact O-N 3.23Å; L274-I355 HydrophobicContact CD1-CD1 4.35Å
275	K	95.6	Very high	89	Confident	78 Å²	78	60 Å²	60	34%	0.339	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.9	170.5	-60.4	177.4	-70.5	171.8	0	110.2	Y288 V356 Q359	K275-Y288 CarbonylContact C-O 3.45Å; K275-Y288 WeakPolarHBondContact CA-O 3.33Å; K275-V356 HydrophobicContact CB-CB 4.14Å; K275-V356 HydrophobicContact CB-CG2 4.02Å; K275-V356 PolarHBondContact O-N 3.37Å; K275-V356 VanDerWaalsContact O-N 3.09Å; K275-Q359 VanDerWaalsContact CB-OE1 3.24Å; K275-Q359 PolarHBondContact O-NE2 3.01Å
276	V	96.6	Very high	88.6	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.7	173.1	-64.9	0	0	0	0	109.8	V239 K287 Y288 V290 L337 V339 C353 N354 I355	V239-V276 HydrophobicContact CG2-CG1 3.87Å; V276-K287 CarbonylContact O-C 3.51Å; V276-K287 WeakPolarHBondContact O-CA 3.41Å; V276-Y288 PolarHBondContact N-O 3Å; V276-Y288 PolarHBondContact O-N 3.32Å; V276-V290 HydrophobicContact CG1-CG2 3.82Å; V276-V290 HydrophobicContact CG2-CG2 3.88Å; V276-L337 HydrophobicContact CG1-CD1 4.03Å; V276-L337 HydrophobicContact CG2-CD1 4.24Å; V276-V339 HydrophobicContact CG2-CG1 4.27Å; V276-C353 HydrophobicContact CB-CB 4.26Å; V276-N354 CarbonylContact C-O 3.54Å; V276-N354 WeakPolarHBondContact CA-O 3.44Å; V276-N354 WeakPolarHBondContact CB-O 3.15Å; V276-I355 HydrophobicContact CG1-CD1 4.13Å
277	E	94.8	Very high	88.4	Confident	39 Å²	39	64.6 Å²	64.6	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.1	171.8	61	-175.6	-150.8	0	0	110.5	R286 K287 C353 N354 V356	E277-R286 WeakPolarHBondContact CA-O 3.3Å; E277-K287 HydrophobicContact CB-CG 4.16Å; E277-C353 WeakPolarHBondContact O-CA 3.27Å; E277-N354 HydrophobicContact CG-CB 3.94Å; E277-N354 PolarHBondContact N-O 3.24Å; E277-N354 PolarHBondContact O-N 3.05Å; E277-V356 HydrophobicContact CB-CG2 3.92Å; E277-V356 HydrophobicContact CG-CG2 4.14Å
278	I	93.8	Very high	88.3	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.062	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.7	-178.8	62.8	174.2	0	0	0	111.7	C281 R286 Y288 L348 V352	I278-C281 HydrophobicContact CD1-CB 4.01Å; I278-R286 HydrophobicContact CD1-CB 3.84Å; I278-R286 HydrophobicContact CG1-CB 4.05Å; I278-R286 PolarHBondContact N-O 3.24Å; I278-Y288 HydrophobicContact CG2-CD2 4.01Å; I278-Y288 HydrophobicContact CG2-CE2 3.85Å; I278-L348 HydrophobicContact CG2-CD1 3.87Å; I278-L348 HydrophobicContact CG2-CD2 4.23Å; I278-V352 WeakPolarHBondContact CA-O 3.44Å
279	T	91.6	Very high	88.3	Confident	69 Å²	69	72.3 Å²	72.3	42%	0.423	35%	0.352	S	S	.	.	S	Bend	trans	-111.1	-10.1	179.3	54.1	0	0	0	0	113.9	V352 N354	T279-V352 PolarHBondContact N-O 3.41Å; T279-V352 WeakPolarHBondContact OG1-CA 3.45Å; T279-V352 PolarHBondContact OG1-O 2.93Å; T279-N354 WeakPolarHBondContact CG2-ND2 3.3Å
280	H	87	Confident	88.5	Confident	31 Å²	31	65.3 Å²	65.3	14%	0.144	32%	0.322	C	S	.	.	S	Bend	trans	-90	0.1	-171.2	64.8	-83	0	0	0	114.9	F321 Y325 L327 V352	H280-F321 AromaticContact CD2-CE1 3.72Å; H280-F321 AromaticContact CE1-CE1 3.82Å; H280-F321 AromaticContact CG-CE1 3.86Å; H280-F321 AromaticContact ND1-CE1 3.91Å; H280-F321 AromaticContact NE2-CE1 3.71Å; H280-F321 AromaticContact NE2-CZ 3.98Å; H280-Y325 AromaticContact CD2-CD1 3.9Å; H280-Y325 AromaticContact CD2-CD2 3.91Å; H280-Y325 AromaticContact CD2-CE1 3.87Å; H280-Y325 AromaticContact CD2-CE2 3.88Å; H280-Y325 AromaticContact CD2-CG 3.93Å; H280-Y325 AromaticContact CD2-CZ 3.86Å; H280-Y325 AromaticContact NE2-CE2 3.87Å; H280-Y325 AromaticContact NE2-CZ 3.81Å; H280-L327 HydrophobicContact CB-CD1 3.96Å; H280-V352 HydrophobicContact CB-CB 4.29Å; H280-V352 HydrophobicContact CB-CG1 4.16Å
281	C	84	Confident	88.5	Confident	39 Å²	39	63.7 Å²	63.7	26%	0.264	32%	0.315	S	S	.	.	S	Bend	trans	-112.8	34.1	-178	-64.7	0	0	0	0	113.6	I278 Q283 M284	I278-C281 HydrophobicContact CD1-CB 4.01Å; C281-Q283 PolarHBondContact O-N 3.37Å; C281-M284 HydrophobicContact CB-CB 4.03Å; C281-M284 WeakPolarHBondContact O-CB 3.46Å; C281-M284 PolarHBondContact O-N 2.92Å
282	G	75.9	Confident	88.6	Confident	66 Å²	66	66.6 Å²	66.6	68%	0.68	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-121	175.5	0	0	0	0	0	113	M284	G282-M284 VanDerWaalsContact C-N 3.26Å; G282-M284 PolarHBondContact O-N 3.43Å
283	Q	66.2	Low	88.7	Confident	200 Å²	200	62.8 Å²	62.8	94%	0.935	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.5	179.2	-67.5	-174.5	-11.5	0	0	113.7	C281 K285	C281-Q283 PolarHBondContact O-N 3.37Å; Q283-K285 PolarHBondContact O-N 2.99Å
284	M	69.6	Low	89	Confident	98 Å²	98	61.7 Å²	61.7	48%	0.483	30%	0.302	S	S	.	.			trans	-81.1	103.4	177.8	-71.2	-171.8	135.3	0	0	111.7	C281 G282 R286	C281-M284 HydrophobicContact CB-CB 4.03Å; C281-M284 WeakPolarHBondContact O-CB 3.46Å; C281-M284 PolarHBondContact O-N 2.92Å; G282-M284 VanDerWaalsContact C-N 3.26Å; G282-M284 PolarHBondContact O-N 3.43Å; M284-R286 PolarHBondContact O-N 3.11Å
285	K	73.4	Confident	89	Confident	118 Å²	118	69.7 Å²	69.7	51%	0.513	33%	0.331	S	S	.	.			trans	-96.7	52.6	-179.7	-63.2	-169.2	-179.4	-176.4	0	113.8	E131 Q283 K287	E131-K285 VanDerWaalsContact OE2-C 3.27Å; Q283-K285 PolarHBondContact O-N 2.99Å; K285-K287 PolarHBondContact O-N 3.38Å
286	R	84.5	Confident	89	Confident	150 Å²	150	72.9 Å²	72.9	57%	0.566	34%	0.342	S	S	*	.			trans	-58.1	130.1	-173.8	-168.9	166.5	174.4	-171.3	3.2	112.2	E131 E277 I278 M284 Y288	E131-R286 WeakPolarHBondContact OE2-CA 3.42Å; E277-R286 WeakPolarHBondContact CA-O 3.3Å; I278-R286 HydrophobicContact CD1-CB 3.84Å; I278-R286 HydrophobicContact CG1-CB 4.05Å; I278-R286 PolarHBondContact N-O 3.24Å; M284-R286 PolarHBondContact O-N 3.11Å; R286-Y288 HydrophobicContact CB-CE2 4.04Å; R286-Y288 WeakPolarHBondContact CD-OH 3.39Å; R286-Y288 HydrophobicContact CG-CD2 4.41Å; R286-Y288 HydrophobicContact CG-CE2 3.71Å; R286-Y288 VanDerWaalsContact CZ-OH 3.23Å; R286-Y288 PolarHBondContact NE-OH 3.4Å; R286-Y288 VanDerWaalsContact NE-OH 3.15Å; R286-Y288 PolarHBondContact NH1-OH 3.06Å
287	K	90.6	Very high	89	Confident	107 Å²	107	74 Å²	74	47%	0.465	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.1	-179.3	-62.2	172.2	-171.3	161.7	0	111.8	E131 V276 E277 K285 V356	E131-K287 IonicContact OE1-NZ 3.67Å; V276-K287 CarbonylContact O-C 3.51Å; V276-K287 WeakPolarHBondContact O-CA 3.41Å; E277-K287 HydrophobicContact CB-CG 4.16Å; K285-K287 PolarHBondContact O-N 3.38Å; K287-V356 HydrophobicContact CD-CG1 4.43Å; K287-V356 HydrophobicContact CD-CG2 4.44Å; K287-V356 HydrophobicContact CG-CG2 4.19Å
288	Y	92.8	Very high	89.1	Confident	43 Å²	43	72.3 Å²	72.3	17%	0.169	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.1	-179.9	-68.8	-80.2	0	0	0	111.3	K275 V276 I278 R286 V339 L348	K275-Y288 CarbonylContact C-O 3.45Å; K275-Y288 WeakPolarHBondContact CA-O 3.33Å; V276-Y288 PolarHBondContact N-O 3Å; V276-Y288 PolarHBondContact O-N 3.32Å; I278-Y288 HydrophobicContact CG2-CD2 4.01Å; I278-Y288 HydrophobicContact CG2-CE2 3.85Å; R286-Y288 HydrophobicContact CB-CE2 4.04Å; R286-Y288 WeakPolarHBondContact CD-OH 3.39Å; R286-Y288 HydrophobicContact CG-CD2 4.41Å; R286-Y288 HydrophobicContact CG-CE2 3.71Å; R286-Y288 VanDerWaalsContact CZ-OH 3.23Å; R286-Y288 PolarHBondContact NE-OH 3.4Å; R286-Y288 VanDerWaalsContact NE-OH 3.15Å; R286-Y288 PolarHBondContact NH1-OH 3.06Å; Y288-V339 HydrophobicContact CD1-CB 4.28Å; Y288-V339 HydrophobicContact CD1-CG2 3.85Å; Y288-V339 HydrophobicContact CE1-CG2 4.45Å; Y288-V339 HydrophobicContact CG-CB 4.24Å; Y288-V339 HydrophobicContact CG-CG2 3.95Å; Y288-L348 HydrophobicContact CD2-CD1 3.97Å; Y288-L348 HydrophobicContact CE2-CD1 4.4Å; Y288-L348 HydrophobicContact CG-CD1 4.42Å
289	R	94.7	Very high	89.3	Confident	141 Å²	141	73.7 Å²	73.7	53%	0.532	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.9	168.9	-171.1	178.1	-61.9	-86.1	4.5	109.7	G273 C291 V339 G340	G273-R289 PolarHBondContact O-NH1 2.94Å; R289-C291 PolarHBondContact O-N 3.3Å; R289-V339 WeakPolarHBondContact O-CA 3.36Å; R289-G340 PolarHBondContact O-N 3.16Å; R289-G340 VanDerWaalsContact O-N 3.15Å
290	V	96.2	Very high	89.5	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.6	176	-175.6	0	0	0	0	109.5	I271 G273 L274 V276 N292 L337 V339	I271-V290 HydrophobicContact CG1-CG2 4.3Å; I271-V290 HydrophobicContact CG2-CG1 4.27Å; G273-V290 WeakPolarHBondContact CA-O 3.28Å; G273-V290 PolarHBondContact N-O 2.94Å; L274-V290 PolarHBondContact O-N 3.23Å; V276-V290 HydrophobicContact CG1-CG2 3.82Å; V276-V290 HydrophobicContact CG2-CG2 3.88Å; V290-N292 WeakPolarHBondContact CG1-O 3.11Å; V290-L337 HydrophobicContact CG1-CB 4.36Å; V290-L337 HydrophobicContact CG1-CD2 4.26Å; V290-L337 HydrophobicContact CG2-CB 4.44Å; V290-L337 HydrophobicContact CG2-CD1 3.87Å; V290-V339 HydrophobicContact CG2-CG1 4.22Å
291	C	94.8	Very high	90.1	Very high	12 Å²	12	75.9 Å²	75.9	8%	0.081	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-27.9	177	66.6	0	0	0	0	112	K272 R289 Q338 E342	K272-C291 WeakPolarHBondContact CD-O 3.25Å; K272-C291 WeakPolarHBondContact CE-O 3.41Å; K272-C291 WeakPolarHBondContact CG-O 3.44Å; K272-C291 PolarHBondContact NZ-O 2.96Å; R289-C291 PolarHBondContact O-N 3.3Å; C291-Q338 PolarHBondContact N-O 2.99Å; C291-Q338 VanDerWaalsContact SG-C 3.54Å; C291-Q338 PolarHBondContact SG-O 2.81Å; C291-E342 HydrophobicContact CB-CG 3.45Å; C291-E342 VanDerWaalsContact CB-CG 3.45Å
292	N	96.5	Very high	90.7	Very high	61 Å²	61	75.7 Å²	75.7	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	174.7	175.9	-144.7	-12.6	0	0	0	113	V290 Q338	V290-N292 WeakPolarHBondContact CG1-O 3.11Å; N292-Q338 HydrophobicContact CB-CB 3.95Å; N292-Q338 VanDerWaalsContact CB-OE1 3.31Å; N292-Q338 PolarHBondContact N-O 2.74Å; N292-Q338 PolarHBondContact O-N 2.95Å
293	V	97.6	Very high	91.6	Very high	9 Å²	9	73.9 Å²	73.9	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.6	168.8	179.8	0	0	0	0	107.9	R264 F267 T268 I271 P335 C336 L337	R264-V293 HydrophobicContact CG-CG1 4.32Å; F267-V293 HydrophobicContact CD1-CG1 4.13Å; F267-V293 HydrophobicContact CD1-CG2 4.02Å; F267-V293 HydrophobicContact CE1-CG1 4.16Å; F267-V293 HydrophobicContact CE1-CG2 3.92Å; T268-V293 HydrophobicContact CG2-CB 4.27Å; T268-V293 HydrophobicContact CG2-CG2 4.15Å; T268-V293 WeakPolarHBondContact OG1-CB 3.46Å; I271-V293 HydrophobicContact CG2-CG2 3.63Å; V293-P335 HydrophobicContact CG1-CB 3.72Å; V293-P335 HydrophobicContact CG1-CG 3.71Å; V293-C336 WeakPolarHBondContact CA-O 3.35Å; V293-L337 HydrophobicContact CG2-CD2 4.12Å
294	T	97.1	Very high	93	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	147.4	-175.3	62.1	0	0	0	0	111.7	R264 R296 Q301 P335 C336 Y347	R264-T294 WeakPolarHBondContact CD-O 3.47Å; T294-R296 PolarHBondContact OG1-O 3.21Å; T294-Q301 HydrophobicContact CG2-CG 4.02Å; T294-P335 VanDerWaalsContact O-CB 3.25Å; T294-P335 WeakPolarHBondContact O-CB 3.18Å; T294-C336 HydrophobicContact CG2-CB 4Å; T294-C336 PolarHBondContact N-O 3.25Å; T294-C336 PolarHBondContact OG1-N 2.81Å; T294-C336 PolarHBondContact OG1-O 2.87Å; T294-Y347 HydrophobicContact CG2-CD1 3.58Å; T294-Y347 HydrophobicContact CG2-CE1 3.74Å; T294-Y347 HydrophobicContact CG2-CG 4.41Å
295	R	95.6	Very high	94	Very high	179 Å²	179	64.3 Å²	64.3	68%	0.675	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	-39.9	171.6	179.3	175.6	174	116.6	6	111.2	D261	D261-R295 IonicContact OD2-NH1 3.56Å; D261-R295 IonicContact OD2-NH2 3.73Å
296	R	96.1	Very high	94.7	Very high	146 Å²	146	65.3 Å²	65.3	55%	0.551	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	146.7	179.1	-64.8	-177.5	-177	172.8	1.9	110.8	T294 Q301	T294-R296 PolarHBondContact OG1-O 3.21Å; R296-Q301 HydrophobicContact CB-CB 4.23Å
297	P	97.3	Very high	94.6	Very high	24 Å²	24	62.2 Å²	62.2	16%	0.156	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	163.1	173.6	32.7	-38	0	0	0	111.7	S299 H300 Q301 H333 L334	P297-S299 PolarHBondContact O-N 3.33Å; P297-S299 VanDerWaalsContact O-N 3.16Å; P297-H300 HydrophobicContact CG-CB 4.09Å; P297-H300 CarbonylContact O-C 3.6Å; P297-H300 PolarHBondContact O-N 3.39Å; P297-Q301 WeakPolarHBondContact O-CB 3.14Å; P297-Q301 PolarHBondContact O-N 3.29Å; P297-H333 VanDerWaalsContact CB-O 3.27Å; P297-H333 WeakPolarHBondContact CB-O 3.29Å; P297-L334 CarbonylContact C-O 3.53Å; P297-L334 VanDerWaalsContact CA-O 3.3Å; P297-L334 WeakPolarHBondContact CA-O 3.48Å
298	A	97.1	Very high	94	Very high	2 Å²	2	67.1 Å²	67.1	2%	0.017	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30	-178.3	0	0	0	0	0	113.6	H300 A318 L329 P332 L334 C336	A298-H300 VanDerWaalsContact C-N 3.29Å; A298-H300 PolarHBondContact O-N 2.97Å; A298-A318 PolarHBondContact O-N 3.06Å; A298-L329 HydrophobicContact CB-CD1 3.86Å; A298-P332 PolarHBondContact N-O 3.05Å; A298-L334 PolarHBondContact N-O 3.35Å; A298-C336 VanDerWaalsContact CA-SG 3.59Å; A298-C336 VanDerWaalsContact CB-SG 3.57Å
299	S	96.7	Very high	93.4	Very high	41 Å²	41	69.2 Å²	69.2	29%	0.287	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.6	173.5	48.7	0	0	0	0	114.4	P297 T316 P332	P297-S299 PolarHBondContact O-N 3.33Å; P297-S299 VanDerWaalsContact O-N 3.16Å; S299-T316 WeakPolarHBondContact O-CG2 3.02Å; S299-P332 PolarHBondContact N-O 2.92Å; S299-P332 PolarHBondContact OG-O 2.96Å; S299-P332 VanDerWaalsContact OG-O 3.13Å
300	H	97.1	Very high	92.7	Very high	122 Å²	122	64.6 Å²	64.6	57%	0.565	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-10.8	-173.8	-64.3	76.4	0	0	0	113.8	P297 A298 T302	P297-H300 HydrophobicContact CG-CB 4.09Å; P297-H300 CarbonylContact O-C 3.6Å; P297-H300 PolarHBondContact O-N 3.39Å; A298-H300 VanDerWaalsContact C-N 3.29Å; A298-H300 PolarHBondContact O-N 2.97Å; H300-T302 PolarHBondContact O-N 2.87Å
301	Q	97.7	Very high	92.1	Very high	24 Å²	24	70.5 Å²	70.5	11%	0.112	36%	0.356	C	S	.	.			trans	-72.8	121.8	174.2	178.7	60.5	57	0	0	108.3	T294 R296 P297 T316 V317 Y347	T294-Q301 HydrophobicContact CG2-CG 4.02Å; R296-Q301 HydrophobicContact CB-CB 4.23Å; P297-Q301 WeakPolarHBondContact O-CB 3.14Å; P297-Q301 PolarHBondContact O-N 3.29Å; Q301-T316 CarbonylContact O-C 3.56Å; Q301-T316 VanDerWaalsContact O-CA 3.28Å; Q301-T316 WeakPolarHBondContact O-CA 3.37Å; Q301-V317 HydrophobicContact CB-CG2 4.15Å; Q301-V317 HydrophobicContact CG-CG2 3.94Å; Q301-V317 PolarHBondContact O-N 3.22Å; Q301-Y347 HydrophobicContact CG-CD2 4.04Å; Q301-Y347 HydrophobicContact CG-CE2 4.27Å; Q301-Y347 HydrophobicContact CG-CG 4.22Å
302	T	96.9	Very high	91.8	Very high	36 Å²	36	74 Å²	74	22%	0.221	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	163.8	-179.7	61.6	0	0	0	0	112	H300 E314 C315 T316	H300-T302 PolarHBondContact O-N 2.87Å; T302-E314 WeakPolarHBondContact CB-OE2 3.36Å; T302-E314 PolarHBondContact OG1-OE2 2.74Å; T302-C315 CarbonylContact C-O 3.59Å; T302-C315 VanDerWaalsContact CA-O 3.23Å; T302-C315 WeakPolarHBondContact CA-O 3.38Å; T302-T316 HydrophobicContact CG2-CG2 3.8Å
303	F	96.2	Very high	91.5	Very high	28 Å²	28	73.8 Å²	73.8	12%	0.123	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.6	168.9	65.2	-80.8	0	0	0	110.1	L305 C315 V317 Y320 H345 Y347	F303-L305 HydrophobicContact CD2-CB 4.49Å; F303-L305 HydrophobicContact CE2-CB 4.01Å; F303-L305 HydrophobicContact CE2-CD1 4Å; F303-L305 PolarHBondContact O-N 3.26Å; F303-C315 WeakPolarHBondContact CD1-O 3.43Å; F303-C315 PolarHBondContact N-O 3.21Å; F303-C315 PolarHBondContact O-N 2.83Å; F303-V317 HydrophobicContact CD1-CG2 4.22Å; F303-V317 HydrophobicContact CE1-CG2 4.4Å; F303-Y320 HydrophobicContact CE1-CD1 4.44Å; F303-Y320 HydrophobicContact CE1-CG 4.14Å; F303-Y320 HydrophobicContact CZ-CD1 4.01Å; F303-Y320 AromaticContact CZ-CD2 3.74Å; F303-Y320 HydrophobicContact CZ-CD2 3.74Å; F303-Y320 HydrophobicContact CZ-CE1 4.45Å; F303-Y320 HydrophobicContact CZ-CE2 4.2Å; F303-Y320 AromaticContact CZ-CG 3.61Å; F303-Y320 HydrophobicContact CZ-CG 3.61Å; F303-H345 HydrophobicContact CB-CB 3.99Å; F303-Y347 HydrophobicContact CB-CD2 4.12Å; F303-Y347 HydrophobicContact CB-CE2 3.97Å; F303-Y347 HydrophobicContact CD1-CD2 4.48Å
304	P	94.4	Very high	91.3	Very high	50 Å²	50	79 Å²	79	33%	0.325	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.3	175.3	27.1	-33.9	0	0	0	110.1	T312	P304-T312 HydrophobicContact CB-CG2 3.66Å
305	L	91.1	Very high	91.2	Very high	47 Å²	47	79 Å²	79	25%	0.246	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	177.1	179.7	70.6	0	0	0	109.3	F303 T312 I313 C315 Y320	F303-L305 HydrophobicContact CD2-CB 4.49Å; F303-L305 HydrophobicContact CE2-CB 4.01Å; F303-L305 HydrophobicContact CE2-CD1 4Å; F303-L305 PolarHBondContact O-N 3.26Å; L305-T312 WeakPolarHBondContact O-CA 3.12Å; L305-I313 HydrophobicContact CB-CG1 4.44Å; L305-I313 PolarHBondContact N-O 2.72Å; L305-I313 PolarHBondContact O-N 3.48Å; L305-C315 HydrophobicContact CB-CB 3.95Å; L305-C315 HydrophobicContact CD2-CB 3.96Å; L305-Y320 HydrophobicContact CD1-CD2 4.21Å; L305-Y320 HydrophobicContact CD1-CE2 3.98Å; L305-Y320 HydrophobicContact CD2-CD2 4.08Å
306	Q	87.9	Confident	91.2	Very high	139 Å²	139	72.3 Å²	72.3	65%	0.65	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.3	173.5	-163.1	172.8	17	0	0	109.8	G310	Q306-G310 PolarHBondContact NE2-O 3.41Å
307	Q	83	Confident	91.3	Very high	84 Å²	84	65.4 Å²	65.4	39%	0.393	35%	0.353	S	S	.	.			trans	-81.7	166.2	175	-66.5	-173.2	-18.3	0	0	111.3	S309 G310 Q311 I313	Q307-S309 PolarHBondContact O-N 3.17Å; Q307-G310 PolarHBondContact O-N 3.44Å; Q307-Q311 PolarHBondContact N-O 3.01Å; Q307-I313 HydrophobicContact CG-CD1 4.31Å; Q307-I313 HydrophobicContact CG-CG1 4.13Å; Q307-I313 VanDerWaalsContact NE2-CD1 3.27Å
308	E	78.4	Confident	91.3	Very high	211 Å²	211	65.3 Å²	65.3	99%	0.986	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.9	175.3	-66	-178.7	172.7	0	0	112.8	G310	E308-G310 PolarHBondContact O-N 3.46Å
309	S	78.8	Confident	91.2	Very high	87 Å²	87	69 Å²	69	61%	0.608	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.5	172.2	60.4	0	0	0	0	114.3	Q307 Q311	Q307-S309 PolarHBondContact O-N 3.17Å; S309-Q311 VanDerWaalsContact C-N 3.27Å; S309-Q311 PolarHBondContact O-N 2.77Å
310	G	79.8	Confident	91.2	Very high	44 Å²	44	69 Å²	69	45%	0.454	36%	0.364	S	S	.	.	S	Bend	trans	84.1	-12.3	-174.5	0	0	0	0	0	114.7	Q306 Q307 E308	Q306-G310 PolarHBondContact NE2-O 3.41Å; Q307-G310 PolarHBondContact O-N 3.44Å; E308-G310 PolarHBondContact O-N 3.46Å
311	Q	85.1	Confident	91.2	Very high	126 Å²	126	63.4 Å²	63.4	59%	0.589	34%	0.338	S	S	*	.			trans	-72.3	137.2	177.7	-167.5	176.6	14.7	0	0	111.5	Q307 S309	Q307-Q311 PolarHBondContact N-O 3.01Å; S309-Q311 VanDerWaalsContact C-N 3.27Å; S309-Q311 PolarHBondContact O-N 2.77Å
312	T	87.8	Confident	91.1	Very high	86 Å²	86	67.2 Å²	67.2	53%	0.528	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.4	173.9	-58.7	0	0	0	0	110	P304 L305	P304-T312 HydrophobicContact CB-CG2 3.66Å; L305-T312 WeakPolarHBondContact O-CA 3.12Å
313	I	90.9	Very high	90.9	Very high	55 Å²	55	69.5 Å²	69.5	28%	0.282	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.5	176.1	61.3	157.1	0	0	0	110.7	L305 Q307 C315	L305-I313 HydrophobicContact CB-CG1 4.44Å; L305-I313 PolarHBondContact N-O 2.72Å; L305-I313 PolarHBondContact O-N 3.48Å; Q307-I313 HydrophobicContact CG-CD1 4.31Å; Q307-I313 HydrophobicContact CG-CG1 4.13Å; Q307-I313 VanDerWaalsContact NE2-CD1 3.27Å; I313-C315 PolarHBondContact O-N 3.49Å
314	E	92.2	Very high	90.7	Very high	118 Å²	118	74 Å²	74	55%	0.551	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.7	167.9	-81.5	-72.8	139.7	0	0	108.9	T302	T302-E314 WeakPolarHBondContact CB-OE2 3.36Å; T302-E314 PolarHBondContact OG1-OE2 2.74Å
315	C	94.4	Very high	90.5	Very high	10 Å²	10	75.4 Å²	75.4	7%	0.068	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.5	179.4	-172.1	0	0	0	0	109.8	T302 F303 L305 I313	T302-C315 CarbonylContact C-O 3.59Å; T302-C315 VanDerWaalsContact CA-O 3.23Å; T302-C315 WeakPolarHBondContact CA-O 3.38Å; F303-C315 WeakPolarHBondContact CD1-O 3.43Å; F303-C315 PolarHBondContact N-O 3.21Å; F303-C315 PolarHBondContact O-N 2.83Å; L305-C315 HydrophobicContact CB-CB 3.95Å; L305-C315 HydrophobicContact CD2-CB 3.96Å; I313-C315 PolarHBondContact O-N 3.49Å
316	T	97.1	Very high	90.7	Very high	39 Å²	39	81.3 Å²	81.3	24%	0.239	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	151.4	173	69	0	0	0	0	110.5	S299 Q301 T302 A318 Q319 Y320	S299-T316 WeakPolarHBondContact O-CG2 3.02Å; Q301-T316 CarbonylContact O-C 3.56Å; Q301-T316 VanDerWaalsContact O-CA 3.28Å; Q301-T316 WeakPolarHBondContact O-CA 3.37Å; T302-T316 HydrophobicContact CG2-CG2 3.8Å; T316-A318 VanDerWaalsContact C-N 3.29Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-Q319 PolarHBondContact O-N 3.26Å; T316-Q319 WeakPolarHBondContact OG1-CB 3.18Å; T316-Q319 PolarHBondContact OG1-N 3.39Å; T316-Q319 VanDerWaalsContact OG1-N 3.14Å; T316-Y320 WeakPolarHBondContact O-CB 3.46Å; T316-Y320 PolarHBondContact O-N 2.93Å
317	V	97.5	Very high	91	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-43.8	176.2	178.2	0	0	0	0	110.6	Q301 F303 Q319 Y320 F321 Y347 P349	Q301-V317 HydrophobicContact CB-CG2 4.15Å; Q301-V317 HydrophobicContact CG-CG2 3.94Å; Q301-V317 PolarHBondContact O-N 3.22Å; F303-V317 HydrophobicContact CD1-CG2 4.22Å; F303-V317 HydrophobicContact CE1-CG2 4.4Å; V317-Q319 PolarHBondContact O-N 2.87Å; V317-Y320 PolarHBondContact O-N 2.77Å; V317-F321 HydrophobicContact CG1-CD2 3.94Å; V317-F321 HydrophobicContact CG1-CE2 4.01Å; V317-F321 WeakPolarHBondContact O-CD2 3.45Å; V317-F321 PolarHBondContact O-N 2.98Å; V317-F321 VanDerWaalsContact O-N 3.13Å; V317-Y347 HydrophobicContact CG2-CD2 4.23Å; V317-Y347 HydrophobicContact CG2-CG 4.37Å; V317-P349 HydrophobicContact CG1-CG 3.68Å
318	A	96.8	Very high	91.6	Very high	21 Å²	21	79.1 Å²	79.1	17%	0.174	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-44.4	178.4	0	0	0	0	0	112.8	A298 T316 F321 K322 L329	A298-A318 PolarHBondContact O-N 3.06Å; T316-A318 VanDerWaalsContact C-N 3.29Å; T316-A318 PolarHBondContact O-N 3.02Å; A318-F321 PolarHBondContact O-N 3.39Å; A318-K322 PolarHBondContact O-N 3.17Å; A318-K322 VanDerWaalsContact O-N 3.12Å; A318-L329 HydrophobicContact CB-CD1 3.91Å
319	Q	96.1	Very high	92.4	Very high	80 Å²	80	69.9 Å²	69.9	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-43.4	-179.8	-171.6	60.4	35.9	0	0	111.3	T316 V317 F321 K322 D323	T316-Q319 PolarHBondContact O-N 3.26Å; T316-Q319 WeakPolarHBondContact OG1-CB 3.18Å; T316-Q319 PolarHBondContact OG1-N 3.39Å; T316-Q319 VanDerWaalsContact OG1-N 3.14Å; V317-Q319 PolarHBondContact O-N 2.87Å; Q319-F321 VanDerWaalsContact C-N 3.34Å; Q319-F321 PolarHBondContact O-N 2.72Å; Q319-K322 WeakPolarHBondContact O-CB 3.49Å; Q319-K322 PolarHBondContact O-N 2.9Å; Q319-D323 WeakPolarHBondContact CG-OD2 3.37Å; Q319-D323 PolarHBondContact NE2-OD1 3.27Å; Q319-D323 PolarHBondContact NE2-OD2 3.27Å; Q319-D323 PolarHBondContact O-N 3.25Å
320	Y	96.1	Very high	93.2	Very high	41 Å²	41	75.3 Å²	75.3	16%	0.161	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-44.2	176.3	173.3	-103.8	0	0	0	112.7	F303 L305 T316 V317 D323 K324 Y325	F303-Y320 HydrophobicContact CE1-CD1 4.44Å; F303-Y320 HydrophobicContact CE1-CG 4.14Å; F303-Y320 HydrophobicContact CZ-CD1 4.01Å; F303-Y320 AromaticContact CZ-CD2 3.74Å; F303-Y320 HydrophobicContact CZ-CD2 3.74Å; F303-Y320 HydrophobicContact CZ-CE1 4.45Å; F303-Y320 HydrophobicContact CZ-CE2 4.2Å; F303-Y320 AromaticContact CZ-CG 3.61Å; F303-Y320 HydrophobicContact CZ-CG 3.61Å; L305-Y320 HydrophobicContact CD1-CD2 4.21Å; L305-Y320 HydrophobicContact CD1-CE2 3.98Å; L305-Y320 HydrophobicContact CD2-CD2 4.08Å; T316-Y320 WeakPolarHBondContact O-CB 3.46Å; T316-Y320 PolarHBondContact O-N 2.93Å; V317-Y320 PolarHBondContact O-N 2.77Å; Y320-D323 PolarHBondContact O-N 3.39Å; Y320-K324 HydrophobicContact CD2-CB 4.45Å; Y320-K324 HydrophobicContact CD2-CD 4.37Å; Y320-K324 HydrophobicContact CE1-CD 4.19Å; Y320-K324 HydrophobicContact CE2-CB 4.27Å; Y320-K324 HydrophobicContact CE2-CD 3.43Å; Y320-K324 VanDerWaalsContact CE2-CD 3.43Å; Y320-K324 VanDerWaalsContact O-CB 3.27Å; Y320-K324 WeakPolarHBondContact O-CB 3.44Å; Y320-K324 PolarHBondContact O-N 2.79Å; Y320-K324 WeakPolarHBondContact OH-CD 3.46Å; Y320-K324 WeakPolarHBondContact OH-CE 3.26Å; Y320-K324 PolarHBondContact OH-NZ 3.13Å; Y320-Y325 HydrophobicContact CD1-CE2 4.39Å; Y320-Y325 HydrophobicContact CE1-CD2 4.43Å; Y320-Y325 AromaticContact CE1-CE2 3.66Å; Y320-Y325 HydrophobicContact CE1-CE2 3.66Å
321	F	96.5	Very high	93.9	Very high	4 Å²	4	76.5 Å²	76.5	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-36.3	178.3	-88.8	-100.2	0	0	0	112.7	H280 V317 A318 Q319 Y325 K326 L327 L329 L348 P349 V352	H280-F321 AromaticContact CD2-CE1 3.72Å; H280-F321 AromaticContact CE1-CE1 3.82Å; H280-F321 AromaticContact CG-CE1 3.86Å; H280-F321 AromaticContact ND1-CE1 3.91Å; H280-F321 AromaticContact NE2-CE1 3.71Å; H280-F321 AromaticContact NE2-CZ 3.98Å; V317-F321 HydrophobicContact CG1-CD2 3.94Å; V317-F321 HydrophobicContact CG1-CE2 4.01Å; V317-F321 WeakPolarHBondContact O-CD2 3.45Å; V317-F321 PolarHBondContact O-N 2.98Å; V317-F321 VanDerWaalsContact O-N 3.13Å; A318-F321 PolarHBondContact O-N 3.39Å; Q319-F321 VanDerWaalsContact C-N 3.34Å; Q319-F321 PolarHBondContact O-N 2.72Å; F321-Y325 AromaticContact CD1-CD2 3.8Å; F321-Y325 HydrophobicContact CD1-CD2 3.8Å; F321-Y325 HydrophobicContact CD1-CE2 4.45Å; F321-Y325 HydrophobicContact CE1-CD2 4.01Å; F321-Y325 HydrophobicContact CE1-CE2 4.28Å; F321-Y325 HydrophobicContact CG-CD2 4.19Å; F321-Y325 HydrophobicContact CZ-CE2 4.47Å; F321-Y325 CarbonylContact O-C 3.57Å; F321-Y325 PolarHBondContact O-N 2.86Å; F321-Y325 VanDerWaalsContact O-N 3.15Å; F321-K326 PolarHBondContact O-N 3.01Å; F321-L327 CarbonylContact C-O 3.58Å; F321-L327 PolarHBondContact O-N 2.87Å; F321-L327 VanDerWaalsContact O-N 3.1Å; F321-L329 HydrophobicContact CB-CD2 4.43Å; F321-L348 HydrophobicContact CZ-CD2 4.47Å; F321-P349 HydrophobicContact CD1-CG 4.5Å; F321-P349 HydrophobicContact CD2-CG 3.96Å; F321-P349 HydrophobicContact CE1-CG 4.39Å; F321-P349 HydrophobicContact CE2-CG 3.85Å; F321-P349 HydrophobicContact CG-CG 4.3Å; F321-P349 VanDerWaalsContact CZ-CD 3.45Å; F321-P349 HydrophobicContact CZ-CG 4.08Å; F321-V352 HydrophobicContact CD1-CG1 4.47Å; F321-V352 HydrophobicContact CE1-CB 4.5Å; F321-V352 HydrophobicContact CE1-CG1 4.17Å; F321-V352 HydrophobicContact CE1-CG2 3.93Å; F321-V352 HydrophobicContact CZ-CG2 4.16Å
322	K	95.4	Very high	94.5	Very high	105 Å²	105	72.6 Å²	72.6	46%	0.457	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-45.1	173.6	-174.2	-179	178.2	-175.8	0	111.7	A318 Q319 K326 L327 I328	A318-K322 PolarHBondContact O-N 3.17Å; A318-K322 VanDerWaalsContact O-N 3.12Å; Q319-K322 WeakPolarHBondContact O-CB 3.49Å; Q319-K322 PolarHBondContact O-N 2.9Å; K322-K326 WeakPolarHBondContact O-CA 3.36Å; K322-K326 PolarHBondContact O-N 3.26Å; K322-L327 WeakPolarHBondContact CA-O 3.48Å; K322-L327 PolarHBondContact N-O 2.87Å; K322-I328 HydrophobicContact CG-CG1 4.36Å
323	D	92.6	Very high	94.8	Very high	83 Å²	83	70.5 Å²	70.5	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-78.2	-47.7	-173.5	-66.4	-22.3	0	0	0	112.4	Q319 Y320 K326	Q319-D323 WeakPolarHBondContact CG-OD2 3.37Å; Q319-D323 PolarHBondContact NE2-OD1 3.27Å; Q319-D323 PolarHBondContact NE2-OD2 3.27Å; Q319-D323 PolarHBondContact O-N 3.25Å; Y320-D323 PolarHBondContact O-N 3.39Å; D323-K326 WeakPolarHBondContact O-CE 3.34Å; D323-K326 PolarHBondContact O-NZ 2.85Å
324	K	91.6	Very high	95.1	Very high	124 Å²	124	68 Å²	68	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-82.2	-43.1	-173.8	-173.4	173.8	-175.8	161.3	0	113.7	Y320	Y320-K324 HydrophobicContact CD2-CB 4.45Å; Y320-K324 HydrophobicContact CD2-CD 4.37Å; Y320-K324 HydrophobicContact CE1-CD 4.19Å; Y320-K324 HydrophobicContact CE2-CB 4.27Å; Y320-K324 HydrophobicContact CE2-CD 3.43Å; Y320-K324 VanDerWaalsContact CE2-CD 3.43Å; Y320-K324 VanDerWaalsContact O-CB 3.27Å; Y320-K324 WeakPolarHBondContact O-CB 3.44Å; Y320-K324 PolarHBondContact O-N 2.79Å; Y320-K324 WeakPolarHBondContact OH-CD 3.46Å; Y320-K324 WeakPolarHBondContact OH-CE 3.26Å; Y320-K324 PolarHBondContact OH-NZ 3.13Å
325	Y	91.9	Very high	95.3	Very high	79 Å²	79	62.7 Å²	62.7	31%	0.31	29%	0.291	S	S	.	.	H	α-helix	trans	-106.5	1.6	-174.7	-59.1	-69	0	0	0	113.1	H280 Y320 F321 L327	H280-Y325 AromaticContact CD2-CD1 3.9Å; H280-Y325 AromaticContact CD2-CD2 3.91Å; H280-Y325 AromaticContact CD2-CE1 3.87Å; H280-Y325 AromaticContact CD2-CE2 3.88Å; H280-Y325 AromaticContact CD2-CG 3.93Å; H280-Y325 AromaticContact CD2-CZ 3.86Å; H280-Y325 AromaticContact NE2-CE2 3.87Å; H280-Y325 AromaticContact NE2-CZ 3.81Å; Y320-Y325 HydrophobicContact CD1-CE2 4.39Å; Y320-Y325 HydrophobicContact CE1-CD2 4.43Å; Y320-Y325 AromaticContact CE1-CE2 3.66Å; Y320-Y325 HydrophobicContact CE1-CE2 3.66Å; F321-Y325 AromaticContact CD1-CD2 3.8Å; F321-Y325 HydrophobicContact CD1-CD2 3.8Å; F321-Y325 HydrophobicContact CD1-CE2 4.45Å; F321-Y325 HydrophobicContact CE1-CD2 4.01Å; F321-Y325 HydrophobicContact CE1-CE2 4.28Å; F321-Y325 HydrophobicContact CG-CD2 4.19Å; F321-Y325 HydrophobicContact CZ-CE2 4.47Å; F321-Y325 CarbonylContact O-C 3.57Å; F321-Y325 PolarHBondContact O-N 2.86Å; F321-Y325 VanDerWaalsContact O-N 3.15Å; Y325-L327 PolarHBondContact O-N 2.79Å; Y325-L327 VanDerWaalsContact O-N 3.16Å
326	K	94.5	Very high	95.5	Very high	170 Å²	170	62.2 Å²	62.2	74%	0.739	29%	0.287	S	S	*	.			trans	53	34	-176	-52.5	-51.9	-175.5	-162.1	0	112.4	F321 K322 D323	F321-K326 PolarHBondContact O-N 3.01Å; K322-K326 WeakPolarHBondContact O-CA 3.36Å; K322-K326 PolarHBondContact O-N 3.26Å; D323-K326 WeakPolarHBondContact O-CE 3.34Å; D323-K326 PolarHBondContact O-NZ 2.85Å
327	L	94.1	Very high	95.6	Very high	46 Å²	46	60.4 Å²	60.4	24%	0.241	28%	0.276	C	S	.	.			trans	-113.1	110.8	-174.5	-166.1	156.7	0	0	0	109.7	H280 F321 K322 Y325 L329 V352	H280-L327 HydrophobicContact CB-CD1 3.96Å; F321-L327 CarbonylContact C-O 3.58Å; F321-L327 PolarHBondContact O-N 2.87Å; F321-L327 VanDerWaalsContact O-N 3.1Å; K322-L327 WeakPolarHBondContact CA-O 3.48Å; K322-L327 PolarHBondContact N-O 2.87Å; Y325-L327 PolarHBondContact O-N 2.79Å; Y325-L327 VanDerWaalsContact O-N 3.16Å; L327-L329 HydrophobicContact CD2-CD2 3.61Å; L327-V352 HydrophobicContact CD1-CG1 4.04Å; L327-V352 HydrophobicContact CD2-CG1 4.34Å
328	I	96.3	Very high	95.6	Very high	132 Å²	132	61.3 Å²	61.3	68%	0.677	28%	0.28	S	S	*	.			trans	-84.7	120.8	173.4	-59.9	174.5	0	0	0	108.1	K322	K322-I328 HydrophobicContact CG-CG1 4.36Å
329	L	95.6	Very high	95.5	Very high	16 Å²	16	60.3 Å²	60.3	8%	0.084	27%	0.272	C	S	.	.			trans	-68.4	134.9	-176.8	-59.6	178.9	0	0	0	111.5	A298 A318 F321 L327 P332 P349 E351	A298-L329 HydrophobicContact CB-CD1 3.86Å; A318-L329 HydrophobicContact CB-CD1 3.91Å; F321-L329 HydrophobicContact CB-CD2 4.43Å; L327-L329 HydrophobicContact CD2-CD2 3.61Å; L329-P332 HydrophobicContact CB-CB 4.3Å; L329-P349 HydrophobicContact CD1-CB 4.14Å; L329-P349 HydrophobicContact CD1-CG 3.91Å; L329-P349 HydrophobicContact CD2-CB 3.82Å; L329-P349 HydrophobicContact CD2-CG 3.79Å; L329-E351 WeakPolarHBondContact CA-OE1 3.47Å; L329-E351 HydrophobicContact CD2-CG 4.17Å; L329-E351 WeakPolarHBondContact CD2-OE1 3.47Å
330	R	94.8	Very high	95.3	Very high	202 Å²	202	58.8 Å²	58.8	76%	0.762	28%	0.277	S	S	*	.	S	Bend	trans	-77.1	-35	174.8	-62.2	-177.3	-174.2	177.3	1.2	111.7	P332 E351	R330-P332 VanDerWaalsContact O-CD 3.29Å; R330-P332 WeakPolarHBondContact O-CD 3.16Å; R330-E351 WeakPolarHBondContact CA-OE2 3.48Å; R330-E351 WeakPolarHBondContact CB-OE2 3.41Å; R330-E351 PolarHBondContact N-OE1 3.12Å; R330-E351 PolarHBondContact N-OE2 3.18Å
331	Y	95.1	Very high	94.8	Very high	68 Å²	68	62 Å²	62	27%	0.267	29%	0.294	S	S	.	.			trans	-120.8	60	-176.9	-44	-70.2	0	0	0	112.9	I240 I252 H333 L334 E351	I240-Y331 HydrophobicContact CD1-CD2 3.96Å; I240-Y331 HydrophobicContact CD1-CE2 4.47Å; I240-Y331 HydrophobicContact CG1-CD2 4.35Å; I240-Y331 HydrophobicContact CG1-CE2 4.43Å; I252-Y331 HydrophobicContact CB-CE1 4.46Å; I252-Y331 HydrophobicContact CG1-CD1 3.98Å; I252-Y331 HydrophobicContact CG1-CE1 3.85Å; I252-Y331 HydrophobicContact CG1-CG 4.46Å; I252-Y331 HydrophobicContact CG2-CE1 3.73Å; Y331-H333 PolarHBondContact O-N 3.37Å; Y331-L334 HydrophobicContact CG-CD1 4.12Å; Y331-L334 PolarHBondContact O-N 2.87Å; Y331-L334 VanDerWaalsContact O-N 3.16Å; Y331-E351 HydrophobicContact CD2-CB 4.13Å; Y331-E351 WeakPolarHBondContact CD2-OE2 3.49Å; Y331-E351 PolarHBondContact N-OE2 3.32Å
332	P	96	Very high	94.3	Very high	45 Å²	45	66.7 Å²	66.7	29%	0.292	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	-175.6	30.1	-36.4	0	0	0	113.8	A298 S299 L329 R330 L334	A298-P332 PolarHBondContact N-O 3.05Å; S299-P332 PolarHBondContact N-O 2.92Å; S299-P332 PolarHBondContact OG-O 2.96Å; S299-P332 VanDerWaalsContact OG-O 3.13Å; L329-P332 HydrophobicContact CB-CB 4.3Å; R330-P332 VanDerWaalsContact O-CD 3.29Å; R330-P332 WeakPolarHBondContact O-CD 3.16Å; P332-L334 VanDerWaalsContact C-N 3.32Å
333	H	94.9	Very high	94	Very high	41 Å²	41	69 Å²	69	19%	0.19	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.9	175.2	61.2	-68.5	0	0	0	114	Q255 Q256 P297 Y331	Q255-H333 PolarHBondContact O-NE2 3.23Å; Q256-H333 PolarHBondContact O-CD2 2.82Å; P297-H333 VanDerWaalsContact CB-O 3.27Å; P297-H333 WeakPolarHBondContact CB-O 3.29Å; Y331-H333 PolarHBondContact O-N 3.37Å
334	L	96.9	Very high	93.9	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	-85.1	155.2	175.7	-64	179.9	0	0	0	111.5	I240 M243 I252 L259 P297 A298 Y331 P332 L350	I240-L334 HydrophobicContact CD1-CD1 3.58Å; M243-L334 HydrophobicContact CE-CD1 4.01Å; M243-L334 HydrophobicContact CE-CD2 4.16Å; M243-L334 HydrophobicContact SD-CD2 4.46Å; I252-L334 HydrophobicContact CD1-CD1 3.99Å; L259-L334 HydrophobicContact CD2-CD2 4.46Å; L259-L334 HydrophobicContact CG-CD2 4.43Å; P297-L334 CarbonylContact C-O 3.53Å; P297-L334 VanDerWaalsContact CA-O 3.3Å; P297-L334 WeakPolarHBondContact CA-O 3.48Å; A298-L334 PolarHBondContact N-O 3.35Å; Y331-L334 HydrophobicContact CG-CD1 4.12Å; Y331-L334 PolarHBondContact O-N 2.87Å; Y331-L334 VanDerWaalsContact O-N 3.16Å; P332-L334 VanDerWaalsContact C-N 3.32Å; L334-L350 HydrophobicContact CB-CD1 4.11Å; L334-L350 HydrophobicContact CD1-CD1 4.16Å
335	P	97.8	Very high	94	Very high	8 Å²	8	69.2 Å²	69.2	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	172	176.5	31.2	-37.2	0	0	0	112.4	L259 V293 T294 L350	L259-P335 HydrophobicContact CD1-CG 4.05Å; V293-P335 HydrophobicContact CG1-CB 3.72Å; V293-P335 HydrophobicContact CG1-CG 3.71Å; T294-P335 VanDerWaalsContact O-CB 3.25Å; T294-P335 WeakPolarHBondContact O-CB 3.18Å; P335-L350 WeakPolarHBondContact O-CD2 3.22Å; P335-L350 VanDerWaalsContact O-CG 3.29Å; P335-L350 WeakPolarHBondContact O-CG 3.27Å
336	C	98.3	Very high	94.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	155.5	172.3	-56.6	0	0	0	0	111.2	V293 T294 A298 L348	V293-C336 WeakPolarHBondContact CA-O 3.35Å; T294-C336 HydrophobicContact CG2-CB 4Å; T294-C336 PolarHBondContact N-O 3.25Å; T294-C336 PolarHBondContact OG1-N 2.81Å; T294-C336 PolarHBondContact OG1-O 2.87Å; A298-C336 VanDerWaalsContact CA-SG 3.59Å; A298-C336 VanDerWaalsContact CB-SG 3.57Å; C336-L348 CarbonylContact C-O 3.52Å; C336-L348 WeakPolarHBondContact CA-O 3.44Å; C336-L348 WeakPolarHBondContact CB-O 3.43Å
337	L	98.3	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125	164.6	-55.2	-176.4	0	0	0	109.1	V239 F267 I271 V276 V290 V293 V339 Y347 L348 L350 C353	V239-L337 HydrophobicContact CG1-CD1 4.2Å; V239-L337 HydrophobicContact CG2-CD1 4.22Å; F267-L337 HydrophobicContact CE1-CD2 4.19Å; F267-L337 HydrophobicContact CZ-CD2 4.28Å; I271-L337 HydrophobicContact CD1-CD1 4.03Å; I271-L337 HydrophobicContact CD1-CD2 3.82Å; I271-L337 HydrophobicContact CG2-CD2 4.33Å; V276-L337 HydrophobicContact CG1-CD1 4.03Å; V276-L337 HydrophobicContact CG2-CD1 4.24Å; V290-L337 HydrophobicContact CG1-CB 4.36Å; V290-L337 HydrophobicContact CG1-CD2 4.26Å; V290-L337 HydrophobicContact CG2-CB 4.44Å; V290-L337 HydrophobicContact CG2-CD1 3.87Å; V293-L337 HydrophobicContact CG2-CD2 4.12Å; L337-V339 HydrophobicContact CB-CG1 4.29Å; L337-Y347 CarbonylContact O-C 3.6Å; L337-Y347 WeakPolarHBondContact O-CA 3.47Å; L337-L348 PolarHBondContact N-O 2.86Å; L337-L348 PolarHBondContact O-N 2.81Å; L337-L350 HydrophobicContact CD1-CD2 4.47Å; L337-L350 HydrophobicContact CD2-CD2 3.51Å; L337-L350 HydrophobicContact CG-CD2 3.64Å; L337-C353 HydrophobicContact CD1-CB 4.24Å
338	Q	97.8	Very high	94.5	Very high	21 Å²	21	60.4 Å²	60.4	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.5	165.4	-168.4	-174.1	6.4	0	0	108.6	C291 N292 E342 K344 T346 Y347	C291-Q338 PolarHBondContact N-O 2.99Å; C291-Q338 VanDerWaalsContact SG-C 3.54Å; C291-Q338 PolarHBondContact SG-O 2.81Å; N292-Q338 HydrophobicContact CB-CB 3.95Å; N292-Q338 VanDerWaalsContact CB-OE1 3.31Å; N292-Q338 PolarHBondContact N-O 2.74Å; N292-Q338 PolarHBondContact O-N 2.95Å; Q338-E342 PolarHBondContact NE2-O 3.1Å; Q338-K344 PolarHBondContact NE2-O 3.47Å; Q338-T346 WeakPolarHBondContact CA-O 3.38Å; Q338-Y347 HydrophobicContact CB-CD1 3.97Å; Q338-Y347 HydrophobicContact CB-CE1 3.98Å; Q338-Y347 HydrophobicContact CG-CD1 4Å; Q338-Y347 HydrophobicContact CG-CE1 3.68Å
339	V	95.6	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157	-174.4	-65.7	0	0	0	0	113.1	V276 Y288 R289 V290 L337 T346 L348	V276-V339 HydrophobicContact CG2-CG1 4.27Å; Y288-V339 HydrophobicContact CD1-CB 4.28Å; Y288-V339 HydrophobicContact CD1-CG2 3.85Å; Y288-V339 HydrophobicContact CE1-CG2 4.45Å; Y288-V339 HydrophobicContact CG-CB 4.24Å; Y288-V339 HydrophobicContact CG-CG2 3.95Å; R289-V339 WeakPolarHBondContact O-CA 3.36Å; V290-V339 HydrophobicContact CG2-CG1 4.22Å; L337-V339 HydrophobicContact CB-CG1 4.29Å; V339-T346 HydrophobicContact CG2-CG2 3.63Å; V339-T346 PolarHBondContact N-O 3.46Å; V339-L348 HydrophobicContact CG1-CD1 4.02Å; V339-L348 HydrophobicContact CG2-CD1 3.81Å; V339-L348 HydrophobicContact CG2-CG 4.02Å
340	G	90.5	Very high	94.6	Very high	47 Å²	47	53.8 Å²	53.8	49%	0.485	26%	0.259	S	S	.	.	S	Bend	trans	83.3	-128.4	179	0	0	0	0	0	112.2	R289	R289-G340 PolarHBondContact O-N 3.16Å; R289-G340 VanDerWaalsContact O-N 3.15Å
341	Q	87	Confident	94.7	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	23%	0.232	S	C	.	.			trans	-82.2	128.7	178.8	-68.6	177.1	-7.7	0	0	109.7	Q343 K344	Q341-Q343 PolarHBondContact O-N 2.87Å; Q341-K344 HydrophobicContact CB-CB 4.28Å; Q341-K344 HydrophobicContact CB-CD 4.29Å; Q341-K344 HydrophobicContact CB-CG 4.09Å; Q341-K344 PolarHBondContact O-N 3.39Å
342	E	86.2	Confident	94.7	Very high	102 Å²	102	43.3 Å²	43.3	48%	0.477	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.7	-179.5	-75.3	-174.3	169.3	0	0	112.7	K272 C291 Q338 K344	K272-E342 IonicContact NZ-OE1 2.71Å; K272-E342 PolarHBondContact NZ-OE1 2.76Å; C291-E342 HydrophobicContact CB-CG 3.45Å; C291-E342 VanDerWaalsContact CB-CG 3.45Å; Q338-E342 PolarHBondContact NE2-O 3.1Å; E342-K344 VanDerWaalsContact C-N 3.25Å; E342-K344 PolarHBondContact O-N 3.07Å
343	Q	88	Confident	94.8	Very high	155 Å²	155	41.1 Å²	41.1	72%	0.724	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.1	176.4	-56.5	82	2	0	0	113.1	Q341	Q341-Q343 PolarHBondContact O-N 2.87Å
344	K	91.6	Very high	94.9	Very high	114 Å²	114	41.3 Å²	41.3	50%	0.496	21%	0.209	S	C	.	.	S	Bend	trans	-102.7	161.9	179.4	-68.4	-170.4	173.2	-178	0	111.3	Q338 Q341 E342	Q338-K344 PolarHBondContact NE2-O 3.47Å; Q341-K344 HydrophobicContact CB-CB 4.28Å; Q341-K344 HydrophobicContact CB-CD 4.29Å; Q341-K344 HydrophobicContact CB-CG 4.09Å; Q341-K344 PolarHBondContact O-N 3.39Å; E342-K344 VanDerWaalsContact C-N 3.25Å; E342-K344 PolarHBondContact O-N 3.07Å
345	H	92	Very high	94.9	Very high	96 Å²	96	41.3 Å²	41.3	44%	0.444	21%	0.209	S	C	.	.			trans	-105.5	42.2	-170.6	-1.6	92.3	0	0	0	112	F303 Y347	F303-H345 HydrophobicContact CB-CB 3.99Å; H345-Y347 HydrophobicContact CB-CE2 3.71Å; H345-Y347 WeakPolarHBondContact O-CD2 3.21Å; H345-Y347 PolarHBondContact O-N 2.87Å
346	T	95.6	Very high	94.8	Very high	59 Å²	59	41.4 Å²	41.4	36%	0.362	21%	0.21	S	C	.	.			trans	-87.1	105.8	177.2	-51.4	0	0	0	0	110.1	Q338 V339	Q338-T346 WeakPolarHBondContact CA-O 3.38Å; V339-T346 HydrophobicContact CG2-CG2 3.63Å; V339-T346 PolarHBondContact N-O 3.46Å
347	Y	97.8	Very high	94.5	Very high	43 Å²	43	44.2 Å²	44.2	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.6	-177.8	-53.8	-60.9	0	0	0	111.4	T294 Q301 F303 V317 L337 Q338 H345	T294-Y347 HydrophobicContact CG2-CD1 3.58Å; T294-Y347 HydrophobicContact CG2-CE1 3.74Å; T294-Y347 HydrophobicContact CG2-CG 4.41Å; Q301-Y347 HydrophobicContact CG-CD2 4.04Å; Q301-Y347 HydrophobicContact CG-CE2 4.27Å; Q301-Y347 HydrophobicContact CG-CG 4.22Å; F303-Y347 HydrophobicContact CB-CD2 4.12Å; F303-Y347 HydrophobicContact CB-CE2 3.97Å; F303-Y347 HydrophobicContact CD1-CD2 4.48Å; V317-Y347 HydrophobicContact CG2-CD2 4.23Å; V317-Y347 HydrophobicContact CG2-CG 4.37Å; L337-Y347 CarbonylContact O-C 3.6Å; L337-Y347 WeakPolarHBondContact O-CA 3.47Å; Q338-Y347 HydrophobicContact CB-CD1 3.97Å; Q338-Y347 HydrophobicContact CB-CE1 3.98Å; Q338-Y347 HydrophobicContact CG-CD1 4Å; Q338-Y347 HydrophobicContact CG-CE1 3.68Å; H345-Y347 HydrophobicContact CB-CE2 3.71Å; H345-Y347 WeakPolarHBondContact O-CD2 3.21Å; H345-Y347 PolarHBondContact O-N 2.87Å
348	L	97.7	Very high	94.2	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.3	176.9	-60.6	176.2	0	0	0	110.2	I278 Y288 F321 C336 L337 V339 C353	I278-L348 HydrophobicContact CG2-CD1 3.87Å; I278-L348 HydrophobicContact CG2-CD2 4.23Å; Y288-L348 HydrophobicContact CD2-CD1 3.97Å; Y288-L348 HydrophobicContact CE2-CD1 4.4Å; Y288-L348 HydrophobicContact CG-CD1 4.42Å; F321-L348 HydrophobicContact CZ-CD2 4.47Å; C336-L348 CarbonylContact C-O 3.52Å; C336-L348 WeakPolarHBondContact CA-O 3.44Å; C336-L348 WeakPolarHBondContact CB-O 3.43Å; L337-L348 PolarHBondContact N-O 2.86Å; L337-L348 PolarHBondContact O-N 2.81Å; V339-L348 HydrophobicContact CG1-CD1 4.02Å; V339-L348 HydrophobicContact CG2-CD1 3.81Å; V339-L348 HydrophobicContact CG2-CG 4.02Å; L348-C353 VanDerWaalsContact CB-SG 3.59Å
349	P	98	Very high	94	Very high	3 Å²	3	45 Å²	45	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	146.8	167.4	-23.9	33.3	0	0	0	111.7	V317 F321 L329 E351 V352 C353	V317-P349 HydrophobicContact CG1-CG 3.68Å; F321-P349 HydrophobicContact CD1-CG 4.5Å; F321-P349 HydrophobicContact CD2-CG 3.96Å; F321-P349 HydrophobicContact CE1-CG 4.39Å; F321-P349 HydrophobicContact CE2-CG 3.85Å; F321-P349 HydrophobicContact CG-CG 4.3Å; F321-P349 VanDerWaalsContact CZ-CD 3.45Å; F321-P349 HydrophobicContact CZ-CG 4.08Å; L329-P349 HydrophobicContact CD1-CB 4.14Å; L329-P349 HydrophobicContact CD1-CG 3.91Å; L329-P349 HydrophobicContact CD2-CB 3.82Å; L329-P349 HydrophobicContact CD2-CG 3.79Å; P349-E351 VanDerWaalsContact C-N 3.28Å; P349-E351 HydrophobicContact CB-CG 4.29Å; P349-E351 PolarHBondContact O-N 3.3Å; P349-V352 HydrophobicContact CB-CG2 4.13Å; P349-V352 HydrophobicContact CG-CG2 4.28Å; P349-V352 VanDerWaalsContact O-CG2 3.26Å; P349-V352 WeakPolarHBondContact O-CG2 3.18Å; P349-V352 PolarHBondContact O-N 2.76Å; P349-C353 PolarHBondContact O-SG 3.09Å; P349-C353 VanDerWaalsContact O-SG 3.35Å
350	L	97.6	Very high	93.9	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62	-37.4	-177.5	-54.6	-169.8	0	0	0	112.2	V239 I240 M243 F267 L334 P335 L337 V352 C353	V239-L350 HydrophobicContact CG1-CB 4.08Å; V239-L350 HydrophobicContact CG1-CD2 4.02Å; V239-L350 HydrophobicContact CG1-CG 4.47Å; I240-L350 HydrophobicContact CD1-CB 3.54Å; I240-L350 HydrophobicContact CD1-CD1 4.32Å; I240-L350 HydrophobicContact CG1-CB 4.28Å; M243-L350 HydrophobicContact SD-CD1 3.79Å; F267-L350 HydrophobicContact CE1-CD1 4.35Å; F267-L350 HydrophobicContact CE1-CD2 4.27Å; F267-L350 HydrophobicContact CZ-CD1 4.4Å; F267-L350 HydrophobicContact CZ-CD2 4.35Å; L334-L350 HydrophobicContact CB-CD1 4.11Å; L334-L350 HydrophobicContact CD1-CD1 4.16Å; P335-L350 WeakPolarHBondContact O-CD2 3.22Å; P335-L350 VanDerWaalsContact O-CG 3.29Å; P335-L350 WeakPolarHBondContact O-CG 3.27Å; L337-L350 HydrophobicContact CD1-CD2 4.47Å; L337-L350 HydrophobicContact CD2-CD2 3.51Å; L337-L350 HydrophobicContact CG-CD2 3.64Å; L350-V352 VanDerWaalsContact C-N 3.26Å; L350-V352 PolarHBondContact O-N 3.43Å; L350-C353 PolarHBondContact O-N 3.14Å
351	E	96	Very high	94	Very high	46 Å²	46	49 Å²	49	22%	0.215	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-71.4	-13.6	-175.7	60.2	179.5	-134.8	0	0	115	I240 L329 R330 Y331 P349	I240-E351 HydrophobicContact CD1-CB 4.5Å; I240-E351 HydrophobicContact CG1-CB 4.22Å; L329-E351 WeakPolarHBondContact CA-OE1 3.47Å; L329-E351 HydrophobicContact CD2-CG 4.17Å; L329-E351 WeakPolarHBondContact CD2-OE1 3.47Å; R330-E351 WeakPolarHBondContact CA-OE2 3.48Å; R330-E351 WeakPolarHBondContact CB-OE2 3.41Å; R330-E351 PolarHBondContact N-OE1 3.12Å; R330-E351 PolarHBondContact N-OE2 3.18Å; Y331-E351 HydrophobicContact CD2-CB 4.13Å; Y331-E351 WeakPolarHBondContact CD2-OE2 3.49Å; Y331-E351 PolarHBondContact N-OE2 3.32Å; P349-E351 VanDerWaalsContact C-N 3.28Å; P349-E351 HydrophobicContact CB-CG 4.29Å; P349-E351 PolarHBondContact O-N 3.3Å
352	V	96.1	Very high	94.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-100.8	14.5	176.4	-57.6	0	0	0	0	112.9	I278 T279 H280 F321 L327 P349 L350	I278-V352 WeakPolarHBondContact CA-O 3.44Å; T279-V352 PolarHBondContact N-O 3.41Å; T279-V352 WeakPolarHBondContact OG1-CA 3.45Å; T279-V352 PolarHBondContact OG1-O 2.93Å; H280-V352 HydrophobicContact CB-CB 4.29Å; H280-V352 HydrophobicContact CB-CG1 4.16Å; F321-V352 HydrophobicContact CD1-CG1 4.47Å; F321-V352 HydrophobicContact CE1-CB 4.5Å; F321-V352 HydrophobicContact CE1-CG1 4.17Å; F321-V352 HydrophobicContact CE1-CG2 3.93Å; F321-V352 HydrophobicContact CZ-CG2 4.16Å; L327-V352 HydrophobicContact CD1-CG1 4.04Å; L327-V352 HydrophobicContact CD2-CG1 4.34Å; P349-V352 HydrophobicContact CB-CG2 4.13Å; P349-V352 HydrophobicContact CG-CG2 4.28Å; P349-V352 VanDerWaalsContact O-CG2 3.26Å; P349-V352 WeakPolarHBondContact O-CG2 3.18Å; P349-V352 PolarHBondContact O-N 2.76Å; L350-V352 VanDerWaalsContact C-N 3.26Å; L350-V352 PolarHBondContact O-N 3.43Å
353	C	96.9	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.7	-174.8	-63.5	0	0	0	0	111.9	V239 V276 E277 L337 L348 P349 L350	V239-C353 HydrophobicContact CB-CB 4.13Å; V239-C353 HydrophobicContact CG2-CB 3.57Å; V239-C353 WeakPolarHBondContact CG2-O 3.42Å; V239-C353 PolarHBondContact N-O 3.33Å; V276-C353 HydrophobicContact CB-CB 4.26Å; E277-C353 WeakPolarHBondContact O-CA 3.27Å; L337-C353 HydrophobicContact CD1-CB 4.24Å; L348-C353 VanDerWaalsContact CB-SG 3.59Å; P349-C353 PolarHBondContact O-SG 3.09Å; P349-C353 VanDerWaalsContact O-SG 3.35Å; L350-C353 PolarHBondContact O-N 3.14Å
354	N	97.1	Very high	94.1	Very high	44 Å²	44	47 Å²	47	24%	0.235	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.3	166.8	-68.4	-17.2	0	0	0	110.4	Q237 P238 V276 E277 T279 V356	Q237-N354 WeakPolarHBondContact O-CA 3.49Å; P238-N354 WeakPolarHBondContact CA-OD1 3.36Å; V276-N354 CarbonylContact C-O 3.54Å; V276-N354 WeakPolarHBondContact CA-O 3.44Å; V276-N354 WeakPolarHBondContact CB-O 3.15Å; E277-N354 HydrophobicContact CG-CB 3.94Å; E277-N354 PolarHBondContact N-O 3.24Å; E277-N354 PolarHBondContact O-N 3.05Å; T279-N354 WeakPolarHBondContact CG2-ND2 3.3Å; N354-V356 PolarHBondContact O-N 2.81Å
355	I	97.3	Very high	94	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.9	167.7	-58.3	-64.7	0	0	0	108.4	K235 A236 Q237 V239 F242 I271 L274 V276	K235-I355 WeakPolarHBondContact O-CB 3.45Å; K235-I355 WeakPolarHBondContact O-CG2 3.38Å; A236-I355 WeakPolarHBondContact CA-O 3.33Å; Q237-I355 PolarHBondContact O-N 3.37Å; V239-I355 HydrophobicContact CG2-CD1 3.94Å; V239-I355 HydrophobicContact CG2-CG1 4.34Å; F242-I355 HydrophobicContact CB-CD1 4.49Å; F242-I355 HydrophobicContact CB-CG1 4.1Å; F242-I355 HydrophobicContact CD1-CD1 4.34Å; F242-I355 HydrophobicContact CD2-CD1 4.41Å; F242-I355 HydrophobicContact CD2-CG1 4.21Å; F242-I355 HydrophobicContact CG-CD1 4.15Å; F242-I355 HydrophobicContact CG-CG1 4.11Å; I271-I355 HydrophobicContact CD1-CD1 4.25Å; I271-I355 HydrophobicContact CG1-CD1 4.47Å; L274-I355 HydrophobicContact CD1-CD1 4.35Å; V276-I355 HydrophobicContact CG1-CD1 4.13Å
356	V	94.6	Very high	93.8	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.5	136.4	178.7	177.1	0	0	0	0	110.1	K275 E277 K287 N354 Q359	K275-V356 HydrophobicContact CB-CB 4.14Å; K275-V356 HydrophobicContact CB-CG2 4.02Å; K275-V356 PolarHBondContact O-N 3.37Å; K275-V356 VanDerWaalsContact O-N 3.09Å; E277-V356 HydrophobicContact CB-CG2 3.92Å; E277-V356 HydrophobicContact CG-CG2 4.14Å; K287-V356 HydrophobicContact CD-CG1 4.43Å; K287-V356 HydrophobicContact CD-CG2 4.44Å; K287-V356 HydrophobicContact CG-CG2 4.19Å; N354-V356 PolarHBondContact O-N 2.81Å; V356-Q359 WeakPolarHBondContact O-CG 3.46Å; V356-Q359 PolarHBondContact O-NE2 2.69Å
357	A	92.4	Very high	93.4	Very high	59 Å²	59	42.9 Å²	42.9	49%	0.488	22%	0.22	S	C	.	.	S	Bend	trans	-61.7	160.6	177.4	0	0	0	0	0	113.7	A236 Q359	A236-A357 HydrophobicContact CB-CB 3.76Å; A357-Q359 VanDerWaalsContact C-N 3.3Å; A357-Q359 PolarHBondContact O-N 3.17Å
358	G	91.6	Very high	93	Very high	21 Å²	21	47.1 Å²	47.1	22%	0.216	25%	0.246	C	C	.	.	S	Bend	trans	70.9	20.8	172.5	0	0	0	0	0	114.8	W208	W208-G358 VanDerWaalsContact CH2-CA 3.4Å
359	Q	94	Very high	92.7	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.075	25%	0.246	C	C	.	.			trans	-92.3	107.6	176.2	-65.4	-171.7	94.5	0	0	111	F233 Y234 K275 V356 A357 C361	F233-Q359 WeakPolarHBondContact CA-O 3.44Å; F233-Q359 VanDerWaalsContact CD1-C 3.42Å; Y234-Q359 HydrophobicContact CD2-CB 4.24Å; Y234-Q359 WeakPolarHBondContact CD2-O 3.46Å; Y234-Q359 PolarHBondContact N-O 3.38Å; K275-Q359 VanDerWaalsContact CB-OE1 3.24Å; K275-Q359 PolarHBondContact O-NE2 3.01Å; V356-Q359 WeakPolarHBondContact O-CG 3.46Å; V356-Q359 PolarHBondContact O-NE2 2.69Å; A357-Q359 VanDerWaalsContact C-N 3.3Å; A357-Q359 PolarHBondContact O-N 3.17Å; Q359-C361 PolarHBondContact O-N 3.02Å
360	R	94.1	Very high	92.4	Very high	121 Å²	121	49.7 Å²	49.7	46%	0.457	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-60.6	135.1	175.7	178.2	-178.6	175.9	-162.8	-0.9	111.2	V186 F233 I362	V186-R360 VanDerWaalsContact CG1-CD 3.45Å; F233-R360 HydrophobicContact CD1-CB 4.4Å; F233-R360 HydrophobicContact CE1-CB 4.08Å; F233-R360 HydrophobicContact CZ-CB 4.31Å; R360-I362 PolarHBondContact O-N 3.43Å
361	C	93.1	Very high	91.9	Very high	9 Å²	9	52 Å²	52	6%	0.061	28%	0.277	C	S	.	.			trans	-76.6	111.6	168.2	-175.2	0	0	0	0	110	A232 Y234 Q359	A232-C361 HydrophobicContact CB-CB 3.88Å; A232-C361 PolarHBondContact O-N 2.76Å; Y234-C361 HydrophobicContact CD2-CB 4.33Å; Y234-C361 HydrophobicContact CE2-CB 3.95Å; Q359-C361 PolarHBondContact O-N 3.02Å
362	I	88.6	Confident	91.7	Very high	96 Å²	96	51.9 Å²	51.9	49%	0.492	28%	0.28	S	S	.	.			trans	-93	-24.5	178.4	-59.4	176.5	0	0	0	110.8	R360 A612	R360-I362 PolarHBondContact O-N 3.43Å; I362-A612 HydrophobicContact CG2-CB 3.29Å
363	K	86.9	Confident	91.5	Very high	64 Å²	64	53.6 Å²	53.6	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	-65.2	147.6	178.6	-64.8	178.1	-172.2	167.6	0	109.9	K269 E270 L365	K269-K363 PolarHBondContact O-NZ 3.44Å; E270-K363 PolarHBondContact O-NZ 2.83Å; K363-L365 PolarHBondContact O-N 3.14Å
364	K	86.9	Confident	91.1	Very high	164 Å²	164	57.5 Å²	57.5	71%	0.713	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-60.8	132.1	176.7	-170.8	179.4	175.1	179.1	0	109.4
365	L	89.3	Confident	90.6	Very high	24 Å²	24	63.6 Å²	63.6	13%	0.126	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.2	149	172.5	-63.1	-176.5	0	0	0	110.5	L201 A232 K363 Q369 M373	L201-L365 HydrophobicContact CD1-CD1 4.34Å; L201-L365 HydrophobicContact CD1-CD2 4.45Å; A232-L365 HydrophobicContact CB-CD1 4.27Å; A232-L365 HydrophobicContact CB-CD2 3.93Å; K363-L365 PolarHBondContact O-N 3.14Å; L365-Q369 HydrophobicContact CB-CB 3.9Å; L365-Q369 HydrophobicContact CD2-CB 4.34Å; L365-Q369 HydrophobicContact CG-CB 4.48Å; L365-M373 HydrophobicContact CD1-CB 4.32Å; L365-M373 HydrophobicContact CD1-SD 3.45Å; L365-M373 WeakPolarHBondContact CD1-SD 3.35Å
366	T	89.1	Confident	90	Very high	70 Å²	70	64.6 Å²	64.6	43%	0.429	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-67	165.3	170.5	69	0	0	0	0	110.4	N368 Q369 T370	T366-N368 PolarHBondContact O-N 2.85Å; T366-Q369 PolarHBondContact O-N 3.5Å; T366-Q369 WeakPolarHBondContact OG1-CB 3.17Å; T366-Q369 VanDerWaalsContact OG1-CG 3.27Å; T366-Q369 WeakPolarHBondContact OG1-CG 3.49Å; T366-Q369 PolarHBondContact OG1-N 3.33Å; T366-Q369 PolarHBondContact OG1-OE1 2.85Å; T366-T370 WeakPolarHBondContact O-CB 3.28Å; T366-T370 PolarHBondContact O-N 3.14Å; T366-T370 PolarHBondContact O-OG1 2.89Å
367	D	86.9	Confident	89.7	Confident	90 Å²	90	65.8 Å²	65.8	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-36.6	179.8	-59.9	-23	0	0	0	110.8	T370 S371 K534	D367-T370 PolarHBondContact O-N 2.94Å; D367-S371 PolarHBondContact O-N 3.28Å; D367-K534 IonicContact OD1-NZ 3.87Å; D367-K534 IonicContact OD2-NZ 2.7Å; D367-K534 PolarHBondContact OD2-NZ 2.91Å
368	N	88.4	Confident	89.5	Confident	131 Å²	131	64.9 Å²	64.9	70%	0.701	34%	0.336	S	S	*	.	H	α-helix	trans	-66.7	-48.4	174.4	-71.3	-8.2	0	0	0	112.3	T366 T370 S371 T372	T366-N368 PolarHBondContact O-N 2.85Å; N368-T370 VanDerWaalsContact C-N 3.29Å; N368-T370 PolarHBondContact O-N 2.93Å; N368-S371 WeakPolarHBondContact O-CB 3.49Å; N368-S371 PolarHBondContact O-N 3.19Å; N368-T372 PolarHBondContact O-N 3Å; N368-T372 PolarHBondContact O-OG1 3Å
369	Q	92.3	Very high	89.5	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-40.1	176.3	-74.6	168.7	-12.1	0	0	111.5	L201 G202 L365 T366 T372 M373	L201-Q369 HydrophobicContact CB-CB 4.47Å; L201-Q369 HydrophobicContact CB-CG 4.15Å; L201-Q369 VanDerWaalsContact O-CG 3.27Å; L201-Q369 WeakPolarHBondContact O-CG 3.36Å; G202-Q369 PolarHBondContact O-NE2 2.61Å; L365-Q369 HydrophobicContact CB-CB 3.9Å; L365-Q369 HydrophobicContact CD2-CB 4.34Å; L365-Q369 HydrophobicContact CG-CB 4.48Å; T366-Q369 PolarHBondContact O-N 3.5Å; T366-Q369 WeakPolarHBondContact OG1-CB 3.17Å; T366-Q369 VanDerWaalsContact OG1-CG 3.27Å; T366-Q369 WeakPolarHBondContact OG1-CG 3.49Å; T366-Q369 PolarHBondContact OG1-N 3.33Å; T366-Q369 PolarHBondContact OG1-OE1 2.85Å; Q369-T372 PolarHBondContact O-N 3.03Å; Q369-M373 VanDerWaalsContact O-CB 3.32Å; Q369-M373 WeakPolarHBondContact O-CB 3.37Å; Q369-M373 PolarHBondContact O-N 2.84Å
370	T	90.8	Very high	89.7	Confident	53 Å²	53	68.8 Å²	68.8	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.6	-56.6	0	0	0	0	110.9	T366 D367 N368 M373 I374	T366-T370 WeakPolarHBondContact O-CB 3.28Å; T366-T370 PolarHBondContact O-N 3.14Å; T366-T370 PolarHBondContact O-OG1 2.89Å; D367-T370 PolarHBondContact O-N 2.94Å; N368-T370 VanDerWaalsContact C-N 3.29Å; N368-T370 PolarHBondContact O-N 2.93Å; T370-M373 PolarHBondContact O-N 2.84Å; T370-I374 HydrophobicContact CG2-CD1 3.94Å; T370-I374 WeakPolarHBondContact O-CB 3.34Å; T370-I374 VanDerWaalsContact O-CG1 3.26Å; T370-I374 WeakPolarHBondContact O-CG1 3.14Å; T370-I374 PolarHBondContact O-N 2.91Å
371	S	88.6	Confident	89.8	Confident	53 Å²	53	63.1 Å²	63.1	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.2	-176.8	0	0	0	0	112.1	D367 N368 I374 R375	D367-S371 PolarHBondContact O-N 3.28Å; N368-S371 WeakPolarHBondContact O-CB 3.49Å; N368-S371 PolarHBondContact O-N 3.19Å; S371-I374 PolarHBondContact O-N 2.8Å; S371-R375 WeakPolarHBondContact O-CG 3.36Å; S371-R375 PolarHBondContact O-N 2.83Å
372	T	91.1	Very high	90	Very high	45 Å²	45	63.7 Å²	63.7	28%	0.276	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-43	176.2	-60.3	0	0	0	0	111.9	L201 N368 Q369 I374 R375 A376	L201-T372 HydrophobicContact CD2-CG2 3.93Å; N368-T372 PolarHBondContact O-N 3Å; N368-T372 PolarHBondContact O-OG1 3Å; Q369-T372 PolarHBondContact O-N 3.03Å; T372-I374 PolarHBondContact O-N 2.82Å; T372-R375 PolarHBondContact O-N 2.86Å; T372-R375 PolarHBondContact OG1-NH2 3.47Å; T372-R375 VanDerWaalsContact OG1-NH2 3.12Å; T372-A376 WeakPolarHBondContact O-CB 3.28Å; T372-A376 PolarHBondContact O-N 2.84Å
373	M	91.6	Very high	90.4	Very high	39 Å²	39	63 Å²	63	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-44.7	175.1	-176.1	178.9	-179.1	0	0	111.6	L201 A230 L365 Q369 T370 A376 T377	L201-M373 HydrophobicContact CD2-CB 4.01Å; A230-M373 WeakPolarHBondContact O-CE 3.21Å; L365-M373 HydrophobicContact CD1-CB 4.32Å; L365-M373 HydrophobicContact CD1-SD 3.45Å; L365-M373 WeakPolarHBondContact CD1-SD 3.35Å; Q369-M373 VanDerWaalsContact O-CB 3.32Å; Q369-M373 WeakPolarHBondContact O-CB 3.37Å; Q369-M373 PolarHBondContact O-N 2.84Å; T370-M373 PolarHBondContact O-N 2.84Å; M373-A376 PolarHBondContact O-N 2.98Å; M373-T377 WeakPolarHBondContact O-CB 3.45Å; M373-T377 VanDerWaalsContact O-CG2 3.27Å; M373-T377 WeakPolarHBondContact O-CG2 3.48Å; M373-T377 PolarHBondContact O-N 2.96Å; M373-T377 VanDerWaalsContact O-N 3.13Å; M373-T377 PolarHBondContact O-OG1 3.09Å
374	I	88.4	Confident	90.9	Very high	83 Å²	83	61.7 Å²	61.7	43%	0.426	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-44.6	177.1	-70.6	167.4	0	0	0	110.4	T370 S371 T372 A376 T377 A378	T370-I374 HydrophobicContact CG2-CD1 3.94Å; T370-I374 WeakPolarHBondContact O-CB 3.34Å; T370-I374 VanDerWaalsContact O-CG1 3.26Å; T370-I374 WeakPolarHBondContact O-CG1 3.14Å; T370-I374 PolarHBondContact O-N 2.91Å; S371-I374 PolarHBondContact O-N 2.8Å; T372-I374 PolarHBondContact O-N 2.82Å; I374-A376 PolarHBondContact O-N 2.84Å; I374-T377 PolarHBondContact O-N 2.62Å; I374-A378 WeakPolarHBondContact O-CB 3.45Å; I374-A378 PolarHBondContact O-N 2.93Å
375	R	86.3	Confident	91.4	Very high	171 Å²	171	54.5 Å²	54.5	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-63.3	-40.9	178.3	-74	-177.1	-65.6	-149.3	0.9	112.7	S371 T372 T377	S371-R375 WeakPolarHBondContact O-CG 3.36Å; S371-R375 PolarHBondContact O-N 2.83Å; T372-R375 PolarHBondContact O-N 2.86Å; T372-R375 PolarHBondContact OG1-NH2 3.47Å; T372-R375 VanDerWaalsContact OG1-NH2 3.12Å; R375-T377 VanDerWaalsContact C-N 3.26Å; R375-T377 PolarHBondContact O-N 3.01Å
376	A	85.7	Confident	91.8	Very high	24 Å²	24	57.3 Å²	57.3	20%	0.198	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-23.9	179.5	0	0	0	0	0	113.3	T372 M373 I374	T372-A376 WeakPolarHBondContact O-CB 3.28Å; T372-A376 PolarHBondContact O-N 2.84Å; M373-A376 PolarHBondContact O-N 2.98Å; I374-A376 PolarHBondContact O-N 2.84Å
377	T	87.8	Confident	92.1	Very high	36 Å²	36	56.6 Å²	56.6	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-118	-9.9	-169.3	62.4	0	0	0	0	114.3	V207 F209 A230 M373 I374 R375 R379	V207-T377 HydrophobicContact CG1-CG2 4.11Å; F209-T377 HydrophobicContact CE1-CG2 4.14Å; F209-T377 HydrophobicContact CZ-CG2 4.32Å; A230-T377 HydrophobicContact CB-CG2 3.34Å; M373-T377 WeakPolarHBondContact O-CB 3.45Å; M373-T377 VanDerWaalsContact O-CG2 3.27Å; M373-T377 WeakPolarHBondContact O-CG2 3.48Å; M373-T377 PolarHBondContact O-N 2.96Å; M373-T377 VanDerWaalsContact O-N 3.13Å; M373-T377 PolarHBondContact O-OG1 3.09Å; I374-T377 PolarHBondContact O-N 2.62Å; R375-T377 VanDerWaalsContact C-N 3.26Å; R375-T377 PolarHBondContact O-N 3.01Å; T377-R379 PolarHBondContact O-N 2.59Å
378	A	88	Confident	92.6	Very high	39 Å²	39	52.3 Å²	52.3	32%	0.322	27%	0.274	S	S	.	.			trans	-70.1	104.2	177.4	0	0	0	0	0	110.3	I374	I374-A378 WeakPolarHBondContact O-CB 3.45Å; I374-A378 PolarHBondContact O-N 2.93Å
379	R	92.6	Very high	93	Very high	95 Å²	95	47.1 Å²	47.1	36%	0.358	25%	0.248	S	C	.	.			trans	-110.7	137.1	173.9	-63.3	-59.5	-166.2	-143.6	-1.3	110.5	T377 D383 R384 E387 G767 T768	T377-R379 PolarHBondContact O-N 2.59Å; R379-D383 HydrophobicContact CB-CB 4.22Å; R379-R384 HydrophobicContact CB-CB 4.18Å; R379-E387 IonicContact CZ-OE1 2.75Å; R379-E387 IonicContact NE-OE1 3.01Å; R379-E387 PolarHBondContact NE-OE1 2.85Å; R379-E387 IonicContact NH2-OE1 3.32Å; R379-G767 CarbonylContact O-C 3.58Å; R379-G767 WeakPolarHBondContact O-CA 3.1Å; R379-T768 PolarHBondContact O-N 2.7Å; R379-T768 PolarHBondContact O-OG1 3.41Å
380	S	96.5	Very high	93.1	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	27%	0.272	C	S	.	.			trans	-59.6	163.1	171	75.4	0	0	0	0	110	D383 R384 S736 T768	S380-D383 WeakPolarHBondContact CB-OD2 2.96Å; S380-D383 PolarHBondContact N-OD2 2.85Å; S380-D383 PolarHBondContact O-N 2.83Å; S380-D383 PolarHBondContact OG-N 2.81Å; S380-D383 PolarHBondContact OG-OD2 3.36Å; S380-R384 WeakPolarHBondContact O-CB 3.38Å; S380-R384 PolarHBondContact O-N 2.83Å; S380-S736 WeakPolarHBondContact CB-O 3.36Å; S380-T768 PolarHBondContact O-OG1 3.31Å
381	A	97.4	Very high	93.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-44.8	178.7	0	0	0	0	0	112.5	R384 Q385 F725 S736 T768	A381-R384 PolarHBondContact O-N 3.25Å; A381-Q385 WeakPolarHBondContact O-CB 3.39Å; A381-Q385 PolarHBondContact O-N 3.1Å; A381-F725 HydrophobicContact CB-CD1 4.13Å; A381-F725 HydrophobicContact CB-CE1 4.36Å; A381-F725 WeakPolarHBondContact O-CD1 3.47Å; A381-F725 WeakPolarHBondContact O-CE1 3.48Å; A381-S736 PolarHBondContact N-O 2.83Å; A381-T768 WeakPolarHBondContact CA-OG1 3.03Å; A381-T768 HydrophobicContact CB-CG2 3.98Å
382	P	97.8	Very high	93.5	Very high	22 Å²	22	49.7 Å²	49.7	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-45.6	172.9	-25.4	35.7	0	0	0	113.5	R384 Q385 D386 S736	P382-R384 VanDerWaalsContact C-N 3.32Å; P382-R384 PolarHBondContact O-N 2.8Å; P382-Q385 WeakPolarHBondContact O-CB 3.49Å; P382-Q385 PolarHBondContact O-N 3.41Å; P382-D386 PolarHBondContact O-N 2.95Å; P382-S736 WeakPolarHBondContact CD-O 3.35Å
383	D	96.8	Very high	93.6	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-41.5	-179.5	-58.5	-34.4	0	0	0	111.4	R379 S380 D386 E387	R379-D383 HydrophobicContact CB-CB 4.22Å; S380-D383 WeakPolarHBondContact CB-OD2 2.96Å; S380-D383 PolarHBondContact N-OD2 2.85Å; S380-D383 PolarHBondContact O-N 2.83Å; S380-D383 PolarHBondContact OG-N 2.81Å; S380-D383 PolarHBondContact OG-OD2 3.36Å; D383-D386 PolarHBondContact O-N 3.28Å; D383-E387 WeakPolarHBondContact O-CB 3.31Å; D383-E387 WeakPolarHBondContact O-CG 3.48Å; D383-E387 PolarHBondContact O-N 2.83Å
384	R	96.9	Very high	93.5	Very high	38 Å²	38	57.3 Å²	57.3	14%	0.143	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-40.1	176.6	174.1	169.5	-86.3	-127	-9.7	111.5	D227 V228 R379 S380 A381 P382 D386 E387 I388 F725 T768	D227-R384 IonicContact OD1-CZ 2.96Å; D227-R384 IonicContact OD1-NH1 2.94Å; D227-R384 PolarHBondContact OD1-NH1 3.01Å; D227-R384 IonicContact OD2-CZ 2.91Å; D227-R384 IonicContact OD2-NH1 2.89Å; D227-R384 PolarHBondContact OD2-NH1 3.02Å; V228-R384 HydrophobicContact CG2-CG 3.93Å; V228-R384 PolarHBondContact O-NH1 3.36Å; V228-R384 PolarHBondContact O-NH2 3.43Å; R379-R384 HydrophobicContact CB-CB 4.18Å; S380-R384 WeakPolarHBondContact O-CB 3.38Å; S380-R384 PolarHBondContact O-N 2.83Å; A381-R384 PolarHBondContact O-N 3.25Å; P382-R384 VanDerWaalsContact C-N 3.32Å; P382-R384 PolarHBondContact O-N 2.8Å; R384-D386 VanDerWaalsContact C-N 3.29Å; R384-D386 PolarHBondContact O-N 3.01Å; R384-E387 PolarHBondContact O-N 2.88Å; R384-I388 HydrophobicContact CG-CD1 3.79Å; R384-I388 HydrophobicContact CG-CG1 4.33Å; R384-I388 VanDerWaalsContact O-CG1 3.25Å; R384-I388 WeakPolarHBondContact O-CG1 3.45Å; R384-I388 PolarHBondContact O-N 2.89Å; R384-F725 HydrophobicContact CG-CE1 4.46Å; R384-F725 HydrophobicContact CG-CZ 4.26Å; R384-T768 WeakPolarHBondContact CB-OG1 3.36Å; R384-T768 WeakPolarHBondContact CD-OG1 3.44Å
385	Q	97.9	Very high	93.6	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-45.3	175.3	-174.4	-178.7	13.6	0	0	110.8	A381 P382 I388 S389 M414 F725	A381-Q385 WeakPolarHBondContact O-CB 3.39Å; A381-Q385 PolarHBondContact O-N 3.1Å; P382-Q385 WeakPolarHBondContact O-CB 3.49Å; P382-Q385 PolarHBondContact O-N 3.41Å; Q385-I388 PolarHBondContact O-N 3.47Å; Q385-S389 WeakPolarHBondContact O-CB 3.33Å; Q385-S389 PolarHBondContact O-N 3.16Å; Q385-S389 PolarHBondContact O-OG 3.46Å; Q385-M414 HydrophobicContact CG-CE 4.03Å; Q385-M414 HydrophobicContact CG-SD 3.98Å; Q385-F725 HydrophobicContact CB-CD1 3.73Å; Q385-F725 HydrophobicContact CB-CD2 4.19Å; Q385-F725 HydrophobicContact CB-CE1 3.84Å; Q385-F725 HydrophobicContact CB-CE2 4.29Å; Q385-F725 HydrophobicContact CB-CG 3.91Å; Q385-F725 HydrophobicContact CB-CZ 4.12Å; Q385-F725 HydrophobicContact CG-CB 4.22Å; Q385-F725 HydrophobicContact CG-CD1 4.24Å; Q385-F725 HydrophobicContact CG-CD2 3.96Å; Q385-F725 HydrophobicContact CG-CE2 4.37Å; Q385-F725 HydrophobicContact CG-CG 3.88Å
386	D	97.1	Very high	93.8	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-42.6	177.7	-72.6	-14.6	0	0	0	112	P382 D383 R384 S389 K390	P382-D386 PolarHBondContact O-N 2.95Å; D383-D386 PolarHBondContact O-N 3.28Å; R384-D386 VanDerWaalsContact C-N 3.29Å; R384-D386 PolarHBondContact O-N 3.01Å; D386-S389 PolarHBondContact O-N 3.23Å; D386-K390 WeakPolarHBondContact O-CB 3.36Å; D386-K390 VanDerWaalsContact O-CG 3.24Å; D386-K390 WeakPolarHBondContact O-CG 3.41Å; D386-K390 PolarHBondContact O-N 3.18Å
387	E	95.4	Very high	94.1	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-44.2	175.5	-77.6	-178.4	172	0	0	111.9	V228 R379 D383 R384 K390 L391	V228-E387 HydrophobicContact CG1-CB 4.12Å; R379-E387 IonicContact CZ-OE1 2.75Å; R379-E387 IonicContact NE-OE1 3.01Å; R379-E387 PolarHBondContact NE-OE1 2.85Å; R379-E387 IonicContact NH2-OE1 3.32Å; D383-E387 WeakPolarHBondContact O-CB 3.31Å; D383-E387 WeakPolarHBondContact O-CG 3.48Å; D383-E387 PolarHBondContact O-N 2.83Å; R384-E387 PolarHBondContact O-N 2.88Å; E387-K390 PolarHBondContact O-N 3.1Å; E387-L391 VanDerWaalsContact O-CB 3.3Å; E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 2.72Å
388	I	97.2	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-43.6	176.9	-65.5	164.7	0	0	0	110.5	N52 F54 I226 V228 R384 Q385 K390 L391 M392 M414 F725	N52-I388 HydrophobicContact CB-CD1 4.08Å; N52-I388 HydrophobicContact CB-CG2 4.3Å; F54-I388 HydrophobicContact CE2-CG2 4.05Å; F54-I388 HydrophobicContact CZ-CG2 3.94Å; I226-I388 HydrophobicContact CG2-CG2 4.39Å; V228-I388 HydrophobicContact CG1-CG1 3.97Å; V228-I388 HydrophobicContact CG2-CG1 4.21Å; R384-I388 HydrophobicContact CG-CD1 3.79Å; R384-I388 HydrophobicContact CG-CG1 4.33Å; R384-I388 VanDerWaalsContact O-CG1 3.25Å; R384-I388 WeakPolarHBondContact O-CG1 3.45Å; R384-I388 PolarHBondContact O-N 2.89Å; Q385-I388 PolarHBondContact O-N 3.47Å; I388-K390 PolarHBondContact O-N 3.44Å; I388-L391 WeakPolarHBondContact O-CB 3.42Å; I388-L391 PolarHBondContact O-N 2.87Å; I388-M392 PolarHBondContact O-N 3Å; I388-M414 HydrophobicContact CB-CE 3.66Å; I388-M414 HydrophobicContact CD1-CE 4.28Å; I388-M414 HydrophobicContact CG2-CE 3.53Å; I388-F725 HydrophobicContact CD1-CE2 4.39Å; I388-F725 HydrophobicContact CD1-CZ 4.07Å
389	S	96.6	Very high	94.8	Very high	22 Å²	22	53.1 Å²	53.1	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-39.5	179.5	-55.2	0	0	0	0	111.8	Q385 D386 M392 R393	Q385-S389 WeakPolarHBondContact O-CB 3.33Å; Q385-S389 PolarHBondContact O-N 3.16Å; Q385-S389 PolarHBondContact O-OG 3.46Å; D386-S389 PolarHBondContact O-N 3.23Å; S389-M392 PolarHBondContact O-N 3.24Å; S389-R393 PolarHBondContact O-N 2.88Å
390	K	95.1	Very high	95	Very high	131 Å²	131	49.2 Å²	49.2	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-64	-43.2	172.7	-74.1	172.3	-175	176.3	0	111.5	D386 E387 I388 M392 R393 S394	D386-K390 WeakPolarHBondContact O-CB 3.36Å; D386-K390 VanDerWaalsContact O-CG 3.24Å; D386-K390 WeakPolarHBondContact O-CG 3.41Å; D386-K390 PolarHBondContact O-N 3.18Å; E387-K390 PolarHBondContact O-N 3.1Å; I388-K390 PolarHBondContact O-N 3.44Å; K390-M392 VanDerWaalsContact C-N 3.35Å; K390-M392 PolarHBondContact O-N 2.87Å; K390-R393 PolarHBondContact O-N 3.34Å; K390-S394 PolarHBondContact O-N 2.89Å; K390-S394 PolarHBondContact O-OG 3.02Å
391	L	93.9	Very high	95	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-43.1	176.3	172.6	69.6	0	0	0	111.8	F211 I226 V228 E387 I388 S394 A395	F211-L391 HydrophobicContact CB-CD2 3.37Å; F211-L391 HydrophobicContact CD1-CD1 4.14Å; F211-L391 HydrophobicContact CD1-CD2 4.39Å; F211-L391 HydrophobicContact CG-CD1 4.46Å; F211-L391 HydrophobicContact CG-CD2 3.92Å; I226-L391 HydrophobicContact CG2-CD2 3.62Å; V228-L391 HydrophobicContact CG1-CD2 4.18Å; E387-L391 VanDerWaalsContact O-CB 3.3Å; E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 2.72Å; I388-L391 WeakPolarHBondContact O-CB 3.42Å; I388-L391 PolarHBondContact O-N 2.87Å; L391-S394 PolarHBondContact O-N 3.04Å; L391-S394 PolarHBondContact O-OG 2.91Å; L391-S394 VanDerWaalsContact O-OG 3.1Å; L391-A395 WeakPolarHBondContact O-CB 3.26Å; L391-A395 PolarHBondContact O-N 2.95Å
392	M	93.9	Very high	95	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.8	-78.9	-62.1	-59.8	0	0	112.2	F54 I226 I388 S389 K390 S394 A395 N396 F397 V410	F54-M392 HydrophobicContact CB-CE 4.02Å; F54-M392 HydrophobicContact CD1-CE 3.71Å; F54-M392 HydrophobicContact CD1-CG 3.99Å; F54-M392 HydrophobicContact CD1-SD 4.26Å; F54-M392 HydrophobicContact CD2-CE 4.06Å; F54-M392 HydrophobicContact CD2-CG 4.11Å; F54-M392 HydrophobicContact CD2-SD 3.84Å; F54-M392 HydrophobicContact CE1-CB 4.26Å; F54-M392 HydrophobicContact CE1-CE 4.25Å; F54-M392 HydrophobicContact CE1-CG 3.52Å; F54-M392 HydrophobicContact CE1-SD 4.34Å; F54-M392 HydrophobicContact CE2-CG 3.67Å; F54-M392 HydrophobicContact CE2-SD 3.93Å; F54-M392 HydrophobicContact CG-CE 3.63Å; F54-M392 HydrophobicContact CG-CG 4.29Å; F54-M392 HydrophobicContact CG-SD 4.04Å; F54-M392 HydrophobicContact CZ-CB 4.43Å; F54-M392 HydrophobicContact CZ-CG 3.36Å; F54-M392 HydrophobicContact CZ-SD 4.2Å; I226-M392 HydrophobicContact CB-SD 4.11Å; I226-M392 HydrophobicContact CG1-SD 3.61Å; I226-M392 HydrophobicContact CG2-SD 4.28Å; I388-M392 PolarHBondContact O-N 3Å; S389-M392 PolarHBondContact O-N 3.24Å; K390-M392 VanDerWaalsContact C-N 3.35Å; K390-M392 PolarHBondContact O-N 2.87Å; M392-S394 VanDerWaalsContact C-N 3.33Å; M392-S394 PolarHBondContact O-N 3.47Å; M392-A395 PolarHBondContact O-N 3.33Å; M392-N396 PolarHBondContact O-N 3.15Å; M392-F397 HydrophobicContact CE-CD2 3.81Å; M392-F397 HydrophobicContact CE-CE2 3.98Å; M392-F397 HydrophobicContact SD-CD2 4.07Å; M392-F397 HydrophobicContact SD-CE2 3.6Å; M392-F397 VanDerWaalsContact SD-CE2 3.6Å; M392-V410 HydrophobicContact CE-CG1 3.96Å
393	R	93.1	Very high	95	Very high	150 Å²	150	51.2 Å²	51.2	57%	0.566	27%	0.268	S	S	*	.	H	α-helix	trans	-62.3	-38.6	176.5	-71.5	-174.5	-70.6	-110.7	0.1	112.4	S389 K390	S389-R393 PolarHBondContact O-N 2.88Å; K390-R393 PolarHBondContact O-N 3.34Å
394	S	89.9	Confident	95	Very high	93 Å²	93	55.7 Å²	55.7	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-79.3	-32.1	179.5	68.2	0	0	0	0	113.9	K390 L391 M392 N396	K390-S394 PolarHBondContact O-N 2.89Å; K390-S394 PolarHBondContact O-OG 3.02Å; L391-S394 PolarHBondContact O-N 3.04Å; L391-S394 PolarHBondContact O-OG 2.91Å; L391-S394 VanDerWaalsContact O-OG 3.1Å; M392-S394 VanDerWaalsContact C-N 3.33Å; M392-S394 PolarHBondContact O-N 3.47Å; S394-N396 VanDerWaalsContact C-N 3.3Å
395	A	89.6	Confident	95	Very high	39 Å²	39	56.4 Å²	56.4	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-33.8	177.1	0	0	0	0	0	111.7	L391 M392 F397	L391-A395 WeakPolarHBondContact O-CB 3.26Å; L391-A395 PolarHBondContact O-N 2.95Å; M392-A395 PolarHBondContact O-N 3.33Å; A395-F397 HydrophobicContact CB-CD2 4.01Å; A395-F397 HydrophobicContact CB-CE2 3.63Å; A395-F397 HydrophobicContact CB-CZ 4.05Å; A395-F397 PolarHBondContact O-N 3.46Å
396	N	90.6	Very high	94.9	Very high	78 Å²	78	55.9 Å²	55.9	42%	0.417	28%	0.281	S	S	.	.			trans	45.5	54.7	174.7	-161.2	3.3	0	0	0	113.1	M392 S394 N398 T399	M392-N396 PolarHBondContact O-N 3.15Å; S394-N396 VanDerWaalsContact C-N 3.3Å; N396-N398 PolarHBondContact O-N 3.4Å; N396-T399 WeakPolarHBondContact ND2-CG2 3.29Å; N396-T399 PolarHBondContact O-N 2.9Å; N396-T399 PolarHBondContact O-OG1 3.26Å
397	F	92.3	Very high	94.9	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-51.2	-30.1	-173.7	-72.3	-81	0	0	0	113.9	M175 L224 I226 M392 A395 T399 D400 V410	M175-F397 HydrophobicContact CE-CB 4.41Å; M175-F397 HydrophobicContact CE-CD1 3.87Å; M175-F397 HydrophobicContact CE-CG 4.35Å; L224-F397 HydrophobicContact CD2-CD1 4.44Å; L224-F397 HydrophobicContact CD2-CD2 4.12Å; L224-F397 HydrophobicContact CD2-CE1 4.31Å; L224-F397 HydrophobicContact CD2-CE2 3.98Å; L224-F397 HydrophobicContact CD2-CG 4.35Å; L224-F397 HydrophobicContact CD2-CZ 4.07Å; I226-F397 HydrophobicContact CD1-CE2 4.46Å; I226-F397 HydrophobicContact CD1-CZ 4.08Å; M392-F397 HydrophobicContact CE-CD2 3.81Å; M392-F397 HydrophobicContact CE-CE2 3.98Å; M392-F397 HydrophobicContact SD-CD2 4.07Å; M392-F397 HydrophobicContact SD-CE2 3.6Å; M392-F397 VanDerWaalsContact SD-CE2 3.6Å; A395-F397 HydrophobicContact CB-CD2 4.01Å; A395-F397 HydrophobicContact CB-CE2 3.63Å; A395-F397 HydrophobicContact CB-CZ 4.05Å; A395-F397 PolarHBondContact O-N 3.46Å; F397-T399 PolarHBondContact O-N 2.82Å; F397-D400 VanDerWaalsContact O-CB 3.26Å; F397-D400 WeakPolarHBondContact O-CB 3.41Å; F397-D400 PolarHBondContact O-N 2.83Å; F397-D400 VanDerWaalsContact O-N 3.12Å; F397-V410 HydrophobicContact CB-CB 4.31Å; F397-V410 HydrophobicContact CB-CG2 4.2Å
398	N	95	Very high	95	Very high	57 Å²	57	51.3 Å²	51.3	31%	0.305	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-71.4	-11.2	179.3	-62.5	-24.2	0	0	0	113.7	N396 R404 V410	N396-N398 PolarHBondContact O-N 3.4Å; N398-R404 WeakPolarHBondContact O-CD 3.48Å; N398-R404 WeakPolarHBondContact O-CG 3Å; N398-V410 PolarHBondContact ND2-O 2.94Å; N398-V410 PolarHBondContact OD1-N 3.41Å; N398-V410 PolarHBondContact OD1-O 3.09Å
399	T	95.8	Very high	95	Very high	79 Å²	79	54.4 Å²	54.4	49%	0.485	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-97.6	-8	172.3	62.4	0	0	0	0	113.3	N396 F397	N396-T399 WeakPolarHBondContact ND2-CG2 3.29Å; N396-T399 PolarHBondContact O-N 2.9Å; N396-T399 PolarHBondContact O-OG1 3.26Å; F397-T399 PolarHBondContact O-N 2.82Å
400	D	96.3	Very high	95	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.07	28%	0.28	C	S	.	.			trans	-62.3	120.5	175.5	-176.8	-39.1	0	0	0	109.1	L178 F397 Y402 V403 R404	L178-D400 VanDerWaalsContact CB-OD2 3.27Å; L178-D400 WeakPolarHBondContact CB-OD2 3.38Å; L178-D400 HydrophobicContact CD2-CB 4.46Å; L178-D400 WeakPolarHBondContact CD2-OD2 3.36Å; F397-D400 VanDerWaalsContact O-CB 3.26Å; F397-D400 WeakPolarHBondContact O-CB 3.41Å; F397-D400 PolarHBondContact O-N 2.83Å; F397-D400 VanDerWaalsContact O-N 3.12Å; D400-Y402 PolarHBondContact O-N 3.28Å; D400-Y402 VanDerWaalsContact O-N 3.14Å; D400-Y402 WeakPolarHBondContact OD1-CB 3.34Å; D400-Y402 WeakPolarHBondContact OD1-CD2 3.25Å; D400-Y402 PolarHBondContact OD1-N 3.24Å; D400-V403 HydrophobicContact CB-CB 3.92Å; D400-V403 HydrophobicContact CB-CG2 3.69Å; D400-V403 PolarHBondContact O-N 3.45Å; D400-V403 VanDerWaalsContact O-N 3.15Å; D400-V403 PolarHBondContact OD1-N 3.26Å; D400-R404 WeakPolarHBondContact O-CG 3.13Å; D400-R404 PolarHBondContact O-N 2.66Å
401	P	96.9	Very high	95	Very high	49 Å²	49	52.9 Å²	52.9	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-25	-174	26.1	-35.8	0	0	0	112.7	K100 E405	K100-P401 HydrophobicContact CD-CB 4.1Å; P401-E405 WeakPolarHBondContact O-CB 3.43Å; P401-E405 PolarHBondContact O-N 2.76Å
402	Y	97.4	Very high	95	Very high	41 Å²	41	55.6 Å²	55.6	16%	0.161	29%	0.289	C	S	.	.	H	α-helix	trans	-84.5	-35.9	178.4	-58.7	-85.3	0	0	0	111.4	K100 V102 H177 L178 M181 D400 R404 E405 F406	K100-Y402 HydrophobicContact CB-CD1 3.87Å; K100-Y402 HydrophobicContact CB-CE1 4.03Å; V102-Y402 HydrophobicContact CG1-CD1 3.88Å; V102-Y402 HydrophobicContact CG1-CG 4.19Å; H177-Y402 AromaticContact CD2-CD1 3.43Å; H177-Y402 VanDerWaalsContact CD2-CD1 3.43Å; H177-Y402 WeakPolarHBondContact CD2-CD1 3.46Å; H177-Y402 AromaticContact CD2-CD2 3.7Å; H177-Y402 AromaticContact CD2-CE1 3.36Å; H177-Y402 WeakPolarHBondContact CD2-CE1 3.43Å; H177-Y402 AromaticContact CD2-CE2 3.64Å; H177-Y402 AromaticContact CD2-CG 3.6Å; H177-Y402 AromaticContact CD2-CZ 3.47Å; H177-Y402 VanDerWaalsContact CD2-CZ 3.47Å; H177-Y402 AromaticContact NE2-CD1 3.94Å; H177-Y402 AromaticContact NE2-CE1 3.42Å; H177-Y402 WeakPolarHBondContact NE2-CE1 3.04Å; H177-Y402 AromaticContact NE2-CZ 3.52Å; L178-Y402 HydrophobicContact CB-CD2 3.99Å; L178-Y402 HydrophobicContact CB-CE2 4.27Å; L178-Y402 HydrophobicContact CD1-CE2 4.2Å; M181-Y402 HydrophobicContact CE-CE2 4.14Å; D400-Y402 PolarHBondContact O-N 3.28Å; D400-Y402 VanDerWaalsContact O-N 3.14Å; D400-Y402 WeakPolarHBondContact OD1-CB 3.34Å; D400-Y402 WeakPolarHBondContact OD1-CD2 3.25Å; D400-Y402 PolarHBondContact OD1-N 3.24Å; Y402-R404 VanDerWaalsContact C-N 3.33Å; Y402-E405 WeakPolarHBondContact O-CB 3.36Å; Y402-E405 PolarHBondContact O-N 3.37Å; Y402-F406 VanDerWaalsContact O-CD2 3.31Å; Y402-F406 WeakPolarHBondContact O-CD2 3.37Å; Y402-F406 PolarHBondContact O-N 3.45Å
403	V	97.1	Very high	95.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-42.7	173.6	177.5	0	0	0	0	110	M175 D400 F406 G407 V408	M175-V403 HydrophobicContact CE-CG1 4.34Å; M175-V403 HydrophobicContact CE-CG2 3.98Å; M175-V403 HydrophobicContact SD-CG1 4.07Å; M175-V403 HydrophobicContact SD-CG2 3.79Å; D400-V403 HydrophobicContact CB-CB 3.92Å; D400-V403 HydrophobicContact CB-CG2 3.69Å; D400-V403 PolarHBondContact O-N 3.45Å; D400-V403 VanDerWaalsContact O-N 3.15Å; D400-V403 PolarHBondContact OD1-N 3.26Å; V403-F406 PolarHBondContact O-N 2.87Å; V403-G407 PolarHBondContact O-N 2.97Å; V403-V408 HydrophobicContact CG1-CB 3.89Å; V403-V408 HydrophobicContact CG1-CG1 4.08Å; V403-V408 WeakPolarHBondContact CG1-O 3.36Å; V403-V408 PolarHBondContact O-N 2.92Å
404	R	96.8	Very high	95.4	Very high	174 Å²	174	53.7 Å²	53.7	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-39.9	176.2	-67.6	-174.2	86.8	167.1	5.8	113.2	N398 D400 Y402 F406 G407	N398-R404 WeakPolarHBondContact O-CD 3.48Å; N398-R404 WeakPolarHBondContact O-CG 3Å; D400-R404 WeakPolarHBondContact O-CG 3.13Å; D400-R404 PolarHBondContact O-N 2.66Å; Y402-R404 VanDerWaalsContact C-N 3.33Å; R404-F406 PolarHBondContact O-N 3.31Å; R404-G407 PolarHBondContact O-N 3.5Å
405	E	96.8	Very high	95.8	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-54.5	-41.2	176.1	178.5	76.7	175.1	0	0	111.7	R99 K100 A112 P401 Y402 G407	R99-E405 VanDerWaalsContact CA-OE1 3.26Å; R99-E405 WeakPolarHBondContact CA-OE1 3.4Å; K100-E405 HydrophobicContact CB-CB 4.22Å; K100-E405 HydrophobicContact CB-CG 3.97Å; K100-E405 PolarHBondContact N-OE1 2.89Å; A112-E405 HydrophobicContact CB-CG 4.21Å; A112-E405 WeakPolarHBondContact CB-O 3.27Å; P401-E405 WeakPolarHBondContact O-CB 3.43Å; P401-E405 PolarHBondContact O-N 2.76Å; Y402-E405 WeakPolarHBondContact O-CB 3.36Å; Y402-E405 PolarHBondContact O-N 3.37Å; E405-G407 VanDerWaalsContact C-N 3.27Å; E405-G407 PolarHBondContact O-N 2.82Å
406	F	96.9	Very high	96.2	Very high	2 Å²	2	53 Å²	53	1%	0.009	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.7	179.9	-76.9	-101.7	0	0	0	113.2	P59 V63 V102 A112 V174 Y402 V403 R404 V408	P59-F406 WeakPolarHBondContact CG-O 3.47Å; V63-F406 HydrophobicContact CG1-CE1 3.79Å; V63-F406 HydrophobicContact CG2-CD1 4.06Å; V63-F406 HydrophobicContact CG2-CE1 4.09Å; V102-F406 HydrophobicContact CB-CE2 4.45Å; V102-F406 HydrophobicContact CG1-CD2 4.45Å; V102-F406 HydrophobicContact CG1-CE2 3.82Å; V102-F406 HydrophobicContact CG1-CZ 4.49Å; V102-F406 HydrophobicContact CG2-CE2 3.9Å; V102-F406 HydrophobicContact CG2-CZ 3.71Å; A112-F406 HydrophobicContact CB-CD1 4.32Å; A112-F406 HydrophobicContact CB-CE1 4.42Å; A112-F406 HydrophobicContact CB-CG 4.41Å; V174-F406 HydrophobicContact CG1-CB 4.05Å; V174-F406 HydrophobicContact CG1-CD2 4.12Å; V174-F406 HydrophobicContact CG1-CG 4.06Å; V174-F406 HydrophobicContact CG2-CB 4.38Å; V174-F406 HydrophobicContact CG2-CD1 3.63Å; V174-F406 HydrophobicContact CG2-CD2 3.95Å; V174-F406 HydrophobicContact CG2-CE1 3.78Å; V174-F406 HydrophobicContact CG2-CE2 4.11Å; V174-F406 HydrophobicContact CG2-CG 3.71Å; V174-F406 HydrophobicContact CG2-CZ 4.01Å; Y402-F406 VanDerWaalsContact O-CD2 3.31Å; Y402-F406 WeakPolarHBondContact O-CD2 3.37Å; Y402-F406 PolarHBondContact O-N 3.45Å; V403-F406 PolarHBondContact O-N 2.87Å; R404-F406 PolarHBondContact O-N 3.31Å; F406-V408 HydrophobicContact CB-CG2 4.28Å; F406-V408 PolarHBondContact O-N 3.15Å; F406-V408 VanDerWaalsContact O-N 3.14Å
407	G	96.3	Very high	96.5	Very high	38 Å²	38	49.5 Å²	49.5	39%	0.392	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	18.5	178.2	0	0	0	0	0	114.8	P59 V403 R404 E405	P59-G407 WeakPolarHBondContact CD-O 3.45Å; V403-G407 PolarHBondContact O-N 2.97Å; R404-G407 PolarHBondContact O-N 3.5Å; E405-G407 VanDerWaalsContact C-N 3.27Å; E405-G407 PolarHBondContact O-N 2.82Å
408	V	96.7	Very high	96.8	Very high	4 Å²	4	54 Å²	54	2%	0.024	27%	0.272	C	S	.	.			trans	-81.1	135.3	-179.4	173.3	0	0	0	0	109.6	M56 E57 I58 L171 M175 V403 F406 V410	M56-V408 HydrophobicContact CE-CG1 3.75Å; E57-V408 WeakPolarHBondContact O-CA 3.49Å; I58-V408 HydrophobicContact CD1-CG1 3.94Å; I58-V408 HydrophobicContact CD1-CG2 3.98Å; L171-V408 HydrophobicContact CD2-CG2 4.25Å; M175-V408 HydrophobicContact SD-CG1 4Å; V403-V408 HydrophobicContact CG1-CB 3.89Å; V403-V408 HydrophobicContact CG1-CG1 4.08Å; V403-V408 WeakPolarHBondContact CG1-O 3.36Å; V403-V408 PolarHBondContact O-N 2.92Å; F406-V408 HydrophobicContact CB-CG2 4.28Å; F406-V408 PolarHBondContact O-N 3.15Å; F406-V408 VanDerWaalsContact O-N 3.14Å; V408-V410 HydrophobicContact CG1-CG2 4.37Å
409	V	97.1	Very high	96.9	Very high	65 Å²	65	51.4 Å²	51.4	39%	0.394	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.1	173.8	-177.3	0	0	0	0	109.2	M56 E57	M56-V409 CarbonylContact C-O 3.54Å; M56-V409 WeakPolarHBondContact CA-O 3.4Å; E57-V409 HydrophobicContact CB-CB 4.2Å; E57-V409 PolarHBondContact N-O 3.37Å; E57-V409 PolarHBondContact O-N 3.39Å
410	V	97	Very high	97.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.2	179.7	-174.3	0	0	0	0	109.1	F54 M56 M175 L224 M392 F397 N398 V408	F54-V410 HydrophobicContact CB-CG1 4.04Å; M56-V410 HydrophobicContact CG-CG2 4.39Å; M175-V410 HydrophobicContact CE-CG2 3.71Å; L224-V410 HydrophobicContact CB-CG1 4.33Å; L224-V410 HydrophobicContact CD2-CG1 3.82Å; L224-V410 HydrophobicContact CD2-CG2 4.39Å; M392-V410 HydrophobicContact CE-CG1 3.96Å; F397-V410 HydrophobicContact CB-CB 4.31Å; F397-V410 HydrophobicContact CB-CG2 4.2Å; N398-V410 PolarHBondContact ND2-O 2.94Å; N398-V410 PolarHBondContact OD1-N 3.41Å; N398-V410 PolarHBondContact OD1-O 3.09Å; V408-V410 HydrophobicContact CG1-CG2 4.37Å
411	R	96.3	Very high	97.2	Very high	118 Å²	118	48.7 Å²	48.7	45%	0.445	24%	0.241	S	C	.	.			trans	-68.9	141.4	171.8	-169.4	172.8	177	168.7	-1.1	110.3	F54 E55 E413	F54-R411 WeakPolarHBondContact CB-O 3.13Å; F54-R411 WeakPolarHBondContact CD1-O 3.49Å; E55-R411 HydrophobicContact CB-CB 4.32Å; E55-R411 PolarHBondContact O-N 3.23Å; R411-E413 HydrophobicContact CG-CB 4.43Å; R411-E413 IonicContact CZ-OE2 3.68Å; R411-E413 IonicContact NE-OE2 2.96Å; R411-E413 PolarHBondContact NE-OE2 3.28Å; R411-E413 IonicContact NH2-OE2 3.02Å; R411-E413 PolarHBondContact NH2-OE2 3.3Å
412	D	93.9	Very high	97.3	Very high	93 Å²	93	46.6 Å²	46.6	50%	0.497	23%	0.227	S	C	.	.	S	Bend	trans	-87.9	-13.3	-177.6	59.9	-17.4	0	0	0	114	F54	F54-D412 WeakPolarHBondContact CE1-O 3.42Å
413	E	96.3	Very high	97.3	Very high	106 Å²	106	53.2 Å²	53.2	50%	0.495	26%	0.259	S	S	.	.	S	Bend	trans	-96.8	146.1	177.7	-64.6	177.6	157	0	0	113.2	F54 R411	F54-E413 VanDerWaalsContact CD1-C 3.48Å; F54-E413 WeakPolarHBondContact CD1-O 3.4Å; F54-E413 VanDerWaalsContact CE1-C 3.44Å; R411-E413 HydrophobicContact CG-CB 4.43Å; R411-E413 IonicContact CZ-OE2 3.68Å; R411-E413 IonicContact NE-OE2 2.96Å; R411-E413 PolarHBondContact NE-OE2 3.28Å; R411-E413 IonicContact NH2-OE2 3.02Å; R411-E413 PolarHBondContact NH2-OE2 3.3Å
414	M	98.3	Very high	97.3	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.049	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62.2	140.6	173.9	-76.3	-169.6	-175.5	0	0	111.5	Q50 A51 N52 F54 Q385 I388 E416 F725	Q50-M414 HydrophobicContact CB-CB 4.03Å; Q50-M414 HydrophobicContact CB-SD 4.24Å; Q50-M414 HydrophobicContact CG-CB 4.2Å; A51-M414 WeakPolarHBondContact O-CB 3.3Å; A51-M414 WeakPolarHBondContact O-CG 3.44Å; N52-M414 HydrophobicContact CB-CE 4.2Å; F54-M414 HydrophobicContact CE1-CB 4.46Å; F54-M414 HydrophobicContact CE1-CG 3.87Å; F54-M414 HydrophobicContact CZ-CE 4.38Å; F54-M414 HydrophobicContact CZ-CG 3.63Å; Q385-M414 HydrophobicContact CG-CE 4.03Å; Q385-M414 HydrophobicContact CG-SD 3.98Å; I388-M414 HydrophobicContact CB-CE 3.66Å; I388-M414 HydrophobicContact CD1-CE 4.28Å; I388-M414 HydrophobicContact CG2-CE 3.53Å; M414-E416 PolarHBondContact O-N 3.34Å; M414-F725 HydrophobicContact CE-CD2 4.32Å; M414-F725 HydrophobicContact CE-CE2 3.9Å; M414-F725 HydrophobicContact SD-CD2 3.82Å; M414-F725 HydrophobicContact SD-CE2 3.96Å
415	T	98.3	Very high	97.4	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	120.6	176.5	-59.2	0	0	0	0	110.4	A51 F53 M223 K748 I749	A51-T415 PolarHBondContact N-O 2.9Å; A51-T415 PolarHBondContact O-N 3.36Å; F53-T415 VanDerWaalsContact O-CB 3.3Å; F53-T415 WeakPolarHBondContact O-CB 3.46Å; F53-T415 PolarHBondContact O-N 2.64Å; F53-T415 PolarHBondContact O-OG1 2.94Å; M223-T415 HydrophobicContact CE-CG2 4.28Å; T415-K748 HydrophobicContact CG2-CD 3.71Å; T415-K748 HydrophobicContact CG2-CG 4.17Å; T415-I749 HydrophobicContact CG2-CG2 4.26Å
416	E	97.9	Very high	97.4	Very high	114 Å²	114	45.9 Å²	45.9	53%	0.533	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.8	170.2	-64.5	-169.4	170.9	0	0	111	L49 Q50 M414 K748	L49-E416 CarbonylContact O-C 3.46Å; L49-E416 WeakPolarHBondContact O-CA 3.29Å; Q50-E416 HydrophobicContact CG-CG 4.12Å; M414-E416 PolarHBondContact O-N 3.34Å; E416-K748 WeakPolarHBondContact O-CD 3.46Å; E416-K748 WeakPolarHBondContact O-CE 3.28Å; E416-K748 PolarHBondContact O-NZ 3.24Å
417	V	97.6	Very high	97.5	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.3	179.2	63.9	0	0	0	0	110.1	L49 A51 L724 V745 K748	L49-V417 WeakPolarHBondContact CA-O 3.19Å; L49-V417 HydrophobicContact CB-CG1 3.85Å; L49-V417 WeakPolarHBondContact CB-O 3.43Å; L49-V417 PolarHBondContact N-O 2.73Å; L49-V417 PolarHBondContact O-N 3.06Å; A51-V417 HydrophobicContact CB-CG1 4.47Å; V417-L724 HydrophobicContact CG1-CD2 4.31Å; V417-V745 HydrophobicContact CG1-CG1 4.41Å; V417-V745 HydrophobicContact CG1-CG2 4.48Å; V417-V745 HydrophobicContact CG2-CG1 3.64Å; V417-K748 HydrophobicContact CG2-CB 3.96Å
418	N	97.8	Very high	97.6	Very high	107 Å²	107	45.5 Å²	45.5	57%	0.572	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.9	172.8	-68.7	-39.4	0	0	0	108.7
419	G	98.4	Very high	97.6	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	173.8	169.2	0	0	0	0	0	111.8	T46 I47 T744	T46-G419 CarbonylContact C-O 3.59Å; T46-G419 WeakPolarHBondContact CA-O 3.46Å; I47-G419 PolarHBondContact N-O 3.26Å; I47-G419 PolarHBondContact O-N 2.82Å; G419-T744 CarbonylContact C-O 3.57Å; G419-T744 WeakPolarHBondContact CA-O 3.34Å
420	R	98.8	Very high	97.6	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.3	169.4	-68.2	170	-66.7	111.9	-1.8	109.8	G41 M43 R45 T743 T744 D746 D786	G41-R420 WeakPolarHBondContact O-CD 3.19Å; G41-R420 PolarHBondContact O-NE 2.98Å; M43-R420 WeakPolarHBondContact O-CD 3.09Å; M43-R420 PolarHBondContact O-NH1 2.98Å; R45-R420 CarbonylContact O-C 3.45Å; R45-R420 VanDerWaalsContact O-CA 3.29Å; R45-R420 WeakPolarHBondContact O-CA 3.27Å; R420-T743 CarbonylContact O-C 3.58Å; R420-T743 WeakPolarHBondContact O-CA 3.17Å; R420-T744 PolarHBondContact N-O 3.23Å; R420-T744 PolarHBondContact O-N 3.13Å; R420-D746 IonicContact CZ-OD1 2.75Å; R420-D746 IonicContact NE-OD1 3.29Å; R420-D746 IonicContact NH2-OD1 3.61Å; R420-D746 PolarHBondContact NH2-OD1 2.98Å; R420-D746 IonicContact NH2-OD2 3.51Å; R420-D746 PolarHBondContact NH2-OD2 3.28Å; R420-D786 IonicContact NH1-OD1 3.95Å; R420-D786 PolarHBondContact NH1-OD1 3.45Å
421	V	98.7	Very high	97.3	Very high	17 Å²	17	44 Å²	44	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.1	172.8	-172.5	0	0	0	0	107.9	G44 R45 I47 P740	G44-V421 VanDerWaalsContact CA-O 3.22Å; G44-V421 WeakPolarHBondContact CA-O 3.47Å; R45-V421 HydrophobicContact CG-CB 3.89Å; R45-V421 HydrophobicContact CG-CG2 4.34Å; R45-V421 PolarHBondContact N-O 2.65Å; R45-V421 PolarHBondContact O-N 3Å; I47-V421 HydrophobicContact CB-CG2 4Å; I47-V421 HydrophobicContact CD1-CG2 4.24Å; I47-V421 HydrophobicContact CG2-CG2 3.65Å; V421-P740 HydrophobicContact CG1-CB 4.43Å; V421-P740 HydrophobicContact CG1-CG 4.25Å; V421-P740 HydrophobicContact CG2-CG 3.79Å
422	L	98.6	Very high	97	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.2	145	178.2	-61.9	178.4	0	0	0	110.8	M43 G742 T744 L759 Q789 V790 Y793	M43-L422 HydrophobicContact CB-CD2 4.31Å; M43-L422 WeakPolarHBondContact O-CD2 3.3Å; L422-G742 PolarHBondContact N-O 3.16Å; L422-T744 WeakPolarHBondContact CD1-OG1 3.25Å; L422-T744 WeakPolarHBondContact CG-OG1 3.34Å; L422-L759 HydrophobicContact CD1-CD1 4.33Å; L422-Q789 HydrophobicContact CD1-CB 4.17Å; L422-V790 HydrophobicContact CD2-CG2 4.38Å; L422-Y793 HydrophobicContact CB-CD1 3.69Å; L422-Y793 HydrophobicContact CB-CE1 4.01Å; L422-Y793 HydrophobicContact CD1-CD1 4.29Å; L422-Y793 HydrophobicContact CD1-CG 4.38Å
423	Q	97.7	Very high	96.8	Very high	180 Å²	180	52.1 Å²	52.1	84%	0.841	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-70.9	133	174.1	-167.9	173.1	23.1	0	0	110
424	A	97.7	Very high	96.6	Very high	22 Å²	22	54.3 Å²	54.3	18%	0.182	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.3	143	175.1	0	0	0	0	0	110.7	P439 Y793	A424-P439 HydrophobicContact CB-CB 3.81Å; A424-P439 HydrophobicContact CB-CG 4.09Å; A424-Y793 HydrophobicContact CB-CE1 4.27Å
425	P	97.7	Very high	96.6	Very high	12 Å²	12	54.9 Å²	54.9	8%	0.078	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-68.2	148	175.5	30.3	-36	0	0	0	111.3	I427 P439 L587 Q794 H797	P425-I427 HydrophobicContact CG-CD1 4.21Å; P425-P439 WeakPolarHBondContact O-CD 3.23Å; P425-P439 WeakPolarHBondContact O-CG 3.49Å; P425-L587 HydrophobicContact CB-CD2 3.93Å; P425-L587 HydrophobicContact CG-CD2 3.82Å; P425-Q794 HydrophobicContact CB-CG 3.94Å; P425-Q794 HydrophobicContact CG-CB 4.35Å; P425-Q794 HydrophobicContact CG-CG 3.99Å; P425-H797 HydrophobicContact CG-CB 3.99Å
426	S	97.9	Very high	96.5	Very high	38 Å²	38	58.9 Å²	58.9	27%	0.266	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-69.7	140	163.8	-62.1	0	0	0	0	110.7	L588	S426-L588 WeakPolarHBondContact O-CB 3.48Å; S426-L588 PolarHBondContact O-N 3.21Å
427	I	98.3	Very high	96.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.1	-176.8	-52.7	-58.6	0	0	0	109	P425 Y429 I436 A437 P439 W444 N585 L587 H797	P425-I427 HydrophobicContact CG-CD1 4.21Å; I427-Y429 HydrophobicContact CG2-CD2 4.32Å; I427-Y429 HydrophobicContact CG2-CE2 3.85Å; I427-I436 WeakPolarHBondContact O-CA 2.97Å; I427-A437 HydrophobicContact CB-CB 4.29Å; I427-A437 PolarHBondContact N-O 2.81Å; I427-A437 PolarHBondContact O-N 2.66Å; I427-P439 HydrophobicContact CG1-CG 4.03Å; I427-W444 HydrophobicContact CG1-CZ2 4.33Å; I427-N585 HydrophobicContact CG2-CB 3.53Å; I427-N585 VanDerWaalsContact CG2-CG 3.46Å; I427-L587 HydrophobicContact CD1-CD2 4.03Å; I427-H797 HydrophobicContact CD1-CB 3.88Å
428	L	98.4	Very high	96.4	Very high	31 Å²	31	58 Å²	58	16%	0.162	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.3	-178.4	-179.3	62.4	0	0	0	110.9	K434 I436 N585 I586 L588	L428-K434 HydrophobicContact CD1-CB 4.42Å; L428-K434 WeakPolarHBondContact CD1-O 3.25Å; L428-I436 HydrophobicContact CD1-CG1 3.93Å; L428-N585 WeakPolarHBondContact O-CA 2.95Å; L428-N585 WeakPolarHBondContact O-CB 3.37Å; L428-I586 HydrophobicContact CB-CG1 3.94Å; L428-I586 HydrophobicContact CD2-CD1 4.14Å; L428-I586 HydrophobicContact CD2-CG1 4.26Å; L428-I586 HydrophobicContact CG-CG1 4.38Å; L428-I586 PolarHBondContact N-O 2.74Å; L428-I586 PolarHBondContact O-N 3.49Å; L428-L588 HydrophobicContact CB-CD1 4.43Å
429	Y	98.2	Very high	96.3	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.276	C	S	.	.			trans	-102.3	175.6	172.8	-79.1	-90.7	0	0	0	111.1	I427 K434 A435 A437 W444 M446 K449 Q450 N585 T803	I427-Y429 HydrophobicContact CG2-CD2 4.32Å; I427-Y429 HydrophobicContact CG2-CE2 3.85Å; Y429-K434 CarbonylContact O-C 3.46Å; Y429-K434 WeakPolarHBondContact O-CA 3.37Å; Y429-A435 WeakPolarHBondContact CB-O 3.43Å; Y429-A435 PolarHBondContact N-O 3.44Å; Y429-A437 HydrophobicContact CD2-CB 4.23Å; Y429-A437 HydrophobicContact CE2-CB 3.86Å; Y429-W444 AromaticContact CE2-NE1 3.94Å; Y429-W444 AromaticContact CZ-NE1 3.87Å; Y429-W444 PolarHBondContact OH-NE1 2.68Å; Y429-M446 HydrophobicContact CD1-CE 4.35Å; Y429-M446 HydrophobicContact CE1-CE 3.81Å; Y429-M446 HydrophobicContact CE1-CG 3.78Å; Y429-M446 HydrophobicContact CE1-SD 4.05Å; Y429-M446 WeakPolarHBondContact OH-CG 3.29Å; Y429-K449 HydrophobicContact CD1-CB 4Å; Y429-K449 HydrophobicContact CD2-CB 4.24Å; Y429-K449 HydrophobicContact CD2-CD 3.71Å; Y429-K449 HydrophobicContact CD2-CG 4.45Å; Y429-K449 HydrophobicContact CE1-CB 4.44Å; Y429-K449 HydrophobicContact CE2-CD 3.83Å; Y429-K449 HydrophobicContact CG-CB 3.88Å; Y429-K449 HydrophobicContact CG-CD 4.23Å; Y429-Q450 VanDerWaalsContact CB-O 3.3Å; Y429-Q450 WeakPolarHBondContact CB-O 3.41Å; Y429-Q450 VanDerWaalsContact CD1-O 3.31Å; Y429-Q450 WeakPolarHBondContact CD1-O 3.11Å; Y429-N585 HydrophobicContact CD1-CB 4.1Å; Y429-N585 HydrophobicContact CD2-CB 4.33Å; Y429-N585 HydrophobicContact CE1-CB 3.94Å; Y429-N585 HydrophobicContact CE2-CB 4.16Å; Y429-N585 HydrophobicContact CG-CB 4.31Å; Y429-N585 PolarHBondContact OH-ND2 2.89Å; Y429-T803 WeakPolarHBondContact OH-CG2 3.37Å
430	G	95.4	Very high	96.1	Very high	8 Å²	8	59 Å²	59	8%	0.082	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-108.7	-143	-176.6	0	0	0	0	0	113.4	K434 Q450 F451	G430-K434 WeakPolarHBondContact O-CA 3.13Å; G430-K434 PolarHBondContact O-N 3.17Å; G430-Q450 PolarHBondContact N-O 2.71Å; G430-F451 WeakPolarHBondContact CA-O 3.47Å
431	G	91.8	Very high	95.8	Very high	33 Å²	33	63.8 Å²	63.8	34%	0.34	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-171.2	-170.2	0	0	0	0	0	112.6	N433 K434	G431-N433 PolarHBondContact O-N 2.77Å; G431-K434 PolarHBondContact O-N 3.36Å
432	R	88.8	Confident	95.5	Very high	245 Å²	245	63.1 Å²	63.1	93%	0.925	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.1	178.5	-66.7	-175.8	-179.3	-177.4	-0.7	112.6
433	N	90.3	Very high	95.4	Very high	135 Å²	135	65.2 Å²	65.2	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.5	-171.5	-60.9	1	0	0	0	113.6	G431 A435	G431-N433 PolarHBondContact O-N 2.77Å; N433-A435 PolarHBondContact O-N 3.48Å
434	K	93.4	Very high	95.3	Very high	152 Å²	152	57.4 Å²	57.4	66%	0.661	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.7	48.6	-176.8	-65.2	-174.3	177.9	-179.8	0	113	L428 Y429 G430 G431	L428-K434 HydrophobicContact CD1-CB 4.42Å; L428-K434 WeakPolarHBondContact CD1-O 3.25Å; Y429-K434 CarbonylContact O-C 3.46Å; Y429-K434 WeakPolarHBondContact O-CA 3.37Å; G430-K434 WeakPolarHBondContact O-CA 3.13Å; G430-K434 PolarHBondContact O-N 3.17Å; G431-K434 PolarHBondContact O-N 3.36Å
435	A	96.3	Very high	95.1	Very high	22 Å²	22	58.4 Å²	58.4	18%	0.182	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.9	144	-168.2	0	0	0	0	0	111.8	Y429 N433 K449	Y429-A435 WeakPolarHBondContact CB-O 3.43Å; Y429-A435 PolarHBondContact N-O 3.44Å; N433-A435 PolarHBondContact O-N 3.48Å; A435-K449 HydrophobicContact CB-CB 4.47Å; A435-K449 HydrophobicContact CB-CD 4.49Å; A435-K449 HydrophobicContact CB-CG 3.9Å
436	I	97.4	Very high	94.8	Very high	89 Å²	89	58.7 Å²	58.7	46%	0.456	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.5	173.8	-62.4	172.9	0	0	0	108.5	I427 L428 L588	I427-I436 WeakPolarHBondContact O-CA 2.97Å; L428-I436 HydrophobicContact CD1-CG1 3.93Å; I436-L588 HydrophobicContact CD1-CD1 4.17Å
437	A	96.8	Very high	94.5	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.033	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.6	169.4	0	0	0	0	0	109.9	I427 Y429 W444 K449	I427-A437 HydrophobicContact CB-CB 4.29Å; I427-A437 PolarHBondContact N-O 2.81Å; I427-A437 PolarHBondContact O-N 2.66Å; Y429-A437 HydrophobicContact CD2-CB 4.23Å; Y429-A437 HydrophobicContact CE2-CB 3.86Å; A437-W444 HydrophobicContact CB-CB 4.2Å; A437-W444 HydrophobicContact CB-CG 4.16Å; A437-K449 HydrophobicContact CB-CD 4.01Å
438	T	95.4	Very high	94.3	Very high	94 Å²	94	73.3 Å²	73.3	58%	0.577	37%	0.365	S	S	*	.			trans	-106.3	111.8	173.7	-57.1	0	0	0	0	108.4	I440	T438-I440 PolarHBondContact O-N 3.09Å
439	P	96.6	Very high	94.2	Very high	10 Å²	10	73.4 Å²	73.4	7%	0.065	36%	0.363	C	S	.	.			trans	-61.8	131	175.9	-22	33.4	0	0	0	111.2	A424 P425 I427 V443 W444	A424-P439 HydrophobicContact CB-CB 3.81Å; A424-P439 HydrophobicContact CB-CG 4.09Å; P425-P439 WeakPolarHBondContact O-CD 3.23Å; P425-P439 WeakPolarHBondContact O-CG 3.49Å; I427-P439 HydrophobicContact CG1-CG 4.03Å; P439-V443 WeakPolarHBondContact CA-O 3.3Å; P439-W444 HydrophobicContact CB-CE3 3.93Å; P439-W444 HydrophobicContact CG-CD2 4.39Å; P439-W444 HydrophobicContact CG-CE3 3.81Å; P439-W444 HydrophobicContact CG-CZ3 4.28Å
440	I	94.8	Very high	94.2	Very high	122 Å²	122	77.3 Å²	77.3	63%	0.626	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-117.9	125.8	173.8	-61	174.6	0	0	0	107.1	T438 G442 V443	T438-I440 PolarHBondContact O-N 3.09Å; I440-G442 PolarHBondContact O-N 2.85Å; I440-G442 VanDerWaalsContact O-N 3.11Å; I440-V443 PolarHBondContact N-O 2.87Å; I440-V443 PolarHBondContact O-N 2.98Å
441	Q	91.6	Very high	94.3	Very high	118 Å²	118	77.1 Å²	77.1	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	40.1	-175.6	-63.3	-179.3	-22.7	0	0	112.5	V443 V733 A763	Q441-V443 PolarHBondContact O-N 3.42Å; Q441-V733 HydrophobicContact CB-CG1 4.43Å; Q441-V733 HydrophobicContact CG-CG1 4.31Å; Q441-A763 VanDerWaalsContact O-CB 3.28Å; Q441-A763 WeakPolarHBondContact O-CB 3.18Å
442	G	92.2	Very high	94.6	Very high	3 Å²	3	78.2 Å²	78.2	3%	0.031	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	15	177.8	0	0	0	0	0	115.8	I440 R804 S805	I440-G442 PolarHBondContact O-N 2.85Å; I440-G442 VanDerWaalsContact O-N 3.11Å; G442-R804 WeakPolarHBondContact O-CA 3.43Å; G442-S805 PolarHBondContact O-N 2.73Å
443	V	96.5	Very high	95.1	Very high	50 Å²	50	69.8 Å²	69.8	30%	0.303	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-132.9	143.9	-179	-173	0	0	0	0	111.1	P439 I440 Q441 R804	P439-V443 WeakPolarHBondContact CA-O 3.3Å; I440-V443 PolarHBondContact N-O 2.87Å; I440-V443 PolarHBondContact O-N 2.98Å; Q441-V443 PolarHBondContact O-N 3.42Å; V443-R804 HydrophobicContact CG1-CG 4.38Å; V443-R804 HydrophobicContact CG2-CG 4.47Å; V443-R804 VanDerWaalsContact CG2-NH1 3.29Å
444	W	97.1	Very high	95.4	Very high	16 Å²	16	64.8 Å²	64.8	6%	0.061	33%	0.331	C	S	.	.			trans	-142	179.3	164.4	67.3	101.6	0	0	0	109.6	I427 Y429 A437 P439 H797 T803 R804	I427-W444 HydrophobicContact CG1-CZ2 4.33Å; Y429-W444 AromaticContact CE2-NE1 3.94Å; Y429-W444 AromaticContact CZ-NE1 3.87Å; Y429-W444 PolarHBondContact OH-NE1 2.68Å; A437-W444 HydrophobicContact CB-CB 4.2Å; A437-W444 HydrophobicContact CB-CG 4.16Å; P439-W444 HydrophobicContact CB-CE3 3.93Å; P439-W444 HydrophobicContact CG-CD2 4.39Å; P439-W444 HydrophobicContact CG-CE3 3.81Å; P439-W444 HydrophobicContact CG-CZ3 4.28Å; W444-H797 HydrophobicContact CH2-CB 4.21Å; W444-H797 AromaticContact CZ3-CD2 3.71Å; W444-T803 PolarHBondContact N-O 2.88Å; W444-T803 WeakPolarHBondContact O-CB 3.45Å; W444-T803 PolarHBondContact O-OG1 2.74Å; W444-R804 VanDerWaalsContact CZ3-CA 3.47Å
445	D	92.2	Very high	95.7	Very high	42 Å²	42	59.3 Å²	59.3	23%	0.225	31%	0.309	C	S	.	.			trans	-135.8	170	176.1	69.4	46.8	0	0	0	112.6	R447 K449	D445-R447 WeakPolarHBondContact OD1-CB 3.49Å; D445-R447 PolarHBondContact OD1-N 3.35Å; D445-R447 IonicContact OD1-NE 3.48Å; D445-R447 IonicContact OD2-CZ 3.86Å; D445-R447 IonicContact OD2-NE 2.77Å; D445-R447 PolarHBondContact OD2-NE 3.44Å; D445-R447 IonicContact OD2-NH2 3.55Å; D445-R447 PolarHBondContact OD2-NH2 2.82Å; D445-K449 WeakPolarHBondContact O-CD 3.46Å; D445-K449 WeakPolarHBondContact O-CE 3.32Å; D445-K449 PolarHBondContact O-NZ 2.85Å; D445-K449 IonicContact OD1-NZ 3.65Å; D445-K449 PolarHBondContact OD1-NZ 3.18Å; D445-K449 VanDerWaalsContact OD1-NZ 3.07Å
446	M	92.7	Very high	95.8	Very high	19 Å²	19	62.1 Å²	62.1	9%	0.094	32%	0.318	C	S	.	.			trans	-97.6	11.6	177	-74.1	-167.9	67.5	0	0	114.3	Y429 N448 K449 F451 A490 L574 T803	Y429-M446 HydrophobicContact CD1-CE 4.35Å; Y429-M446 HydrophobicContact CE1-CE 3.81Å; Y429-M446 HydrophobicContact CE1-CG 3.78Å; Y429-M446 HydrophobicContact CE1-SD 4.05Å; Y429-M446 WeakPolarHBondContact OH-CG 3.29Å; M446-N448 PolarHBondContact O-N 2.82Å; M446-K449 PolarHBondContact O-N 2.88Å; M446-F451 HydrophobicContact CE-CD1 3.48Å; M446-F451 VanDerWaalsContact CE-CD1 3.48Å; M446-F451 HydrophobicContact CE-CE1 3.32Å; M446-F451 HydrophobicContact CE-CG 4.23Å; M446-F451 HydrophobicContact CE-CZ 3.91Å; M446-F451 HydrophobicContact SD-CD1 4.31Å; M446-F451 HydrophobicContact SD-CE1 3.69Å; M446-F451 HydrophobicContact SD-CZ 4.32Å; M446-A490 HydrophobicContact CE-CB 4.04Å; M446-L574 HydrophobicContact SD-CD2 3.31Å; M446-L574 WeakPolarHBondContact SD-CD2 3.3Å; M446-L574 HydrophobicContact SD-CG 4.48Å; M446-T803 HydrophobicContact CG-CG2 3.75Å; M446-T803 HydrophobicContact SD-CG2 4.44Å
447	R	91.2	Very high	95.8	Very high	186 Å²	186	57.9 Å²	57.9	70%	0.702	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	127.6	178.4	-68.1	179.9	-69.3	171.1	-1.5	108.9	D445 K449	D445-R447 WeakPolarHBondContact OD1-CB 3.49Å; D445-R447 PolarHBondContact OD1-N 3.35Å; D445-R447 IonicContact OD1-NE 3.48Å; D445-R447 IonicContact OD2-CZ 3.86Å; D445-R447 IonicContact OD2-NE 2.77Å; D445-R447 PolarHBondContact OD2-NE 3.44Å; D445-R447 IonicContact OD2-NH2 3.55Å; D445-R447 PolarHBondContact OD2-NH2 2.82Å; R447-K449 WeakPolarHBondContact O-CG 3.3Å; R447-K449 PolarHBondContact O-N 2.77Å; R447-K449 PolarHBondContact O-NZ 2.92Å
448	N	92.9	Very high	95.9	Very high	160 Å²	160	63.2 Å²	63.2	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	27.6	-176	-53.4	-31.4	0	0	0	114.6	M446	M446-N448 PolarHBondContact O-N 2.82Å
449	K	96.7	Very high	96	Very high	32 Å²	32	60.6 Å²	60.6	14%	0.139	30%	0.302	C	S	.	.			trans	-128.3	139	178.9	-53.3	178.7	-162.2	68.2	0	110.1	Y429 A435 A437 D445 M446 R447	Y429-K449 HydrophobicContact CD1-CB 4Å; Y429-K449 HydrophobicContact CD2-CB 4.24Å; Y429-K449 HydrophobicContact CD2-CD 3.71Å; Y429-K449 HydrophobicContact CD2-CG 4.45Å; Y429-K449 HydrophobicContact CE1-CB 4.44Å; Y429-K449 HydrophobicContact CE2-CD 3.83Å; Y429-K449 HydrophobicContact CG-CB 3.88Å; Y429-K449 HydrophobicContact CG-CD 4.23Å; A435-K449 HydrophobicContact CB-CB 4.47Å; A435-K449 HydrophobicContact CB-CD 4.49Å; A435-K449 HydrophobicContact CB-CG 3.9Å; A437-K449 HydrophobicContact CB-CD 4.01Å; D445-K449 WeakPolarHBondContact O-CD 3.46Å; D445-K449 WeakPolarHBondContact O-CE 3.32Å; D445-K449 PolarHBondContact O-NZ 2.85Å; D445-K449 IonicContact OD1-NZ 3.65Å; D445-K449 PolarHBondContact OD1-NZ 3.18Å; D445-K449 VanDerWaalsContact OD1-NZ 3.07Å; M446-K449 PolarHBondContact O-N 2.88Å; R447-K449 WeakPolarHBondContact O-CG 3.3Å; R447-K449 PolarHBondContact O-N 2.77Å; R447-K449 PolarHBondContact O-NZ 2.92Å
450	Q	98.1	Very high	96.1	Very high	83 Å²	83	60.2 Å²	60.2	39%	0.388	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-110.4	150.6	177.1	-68.2	174	19.4	0	0	109.9	Y429 G430 A490	Y429-Q450 VanDerWaalsContact CB-O 3.3Å; Y429-Q450 WeakPolarHBondContact CB-O 3.41Å; Y429-Q450 VanDerWaalsContact CD1-O 3.31Å; Y429-Q450 WeakPolarHBondContact CD1-O 3.11Å; G430-Q450 PolarHBondContact N-O 2.71Å; Q450-A490 CarbonylContact C-O 3.53Å; Q450-A490 WeakPolarHBondContact CA-O 3.5Å
451	F	98.6	Very high	96.3	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	27%	0.27	C	S	.	.			trans	-52.1	144.9	177.8	-66.4	-51.8	0	0	0	112.3	G430 M446 T453 A490 M492 C573 L574 N577 N584	G430-F451 WeakPolarHBondContact CA-O 3.47Å; M446-F451 HydrophobicContact CE-CD1 3.48Å; M446-F451 VanDerWaalsContact CE-CD1 3.48Å; M446-F451 HydrophobicContact CE-CE1 3.32Å; M446-F451 HydrophobicContact CE-CG 4.23Å; M446-F451 HydrophobicContact CE-CZ 3.91Å; M446-F451 HydrophobicContact SD-CD1 4.31Å; M446-F451 HydrophobicContact SD-CE1 3.69Å; M446-F451 HydrophobicContact SD-CZ 4.32Å; F451-T453 PolarHBondContact O-N 3.36Å; F451-A490 HydrophobicContact CD2-CB 4.27Å; F451-A490 WeakPolarHBondContact CD2-O 3.29Å; F451-A490 HydrophobicContact CE2-CB 3.82Å; F451-A490 WeakPolarHBondContact CG-O 3.32Å; F451-A490 HydrophobicContact CZ-CB 4.19Å; F451-A490 PolarHBondContact N-O 3.21Å; F451-M492 HydrophobicContact CD2-CB 3.77Å; F451-M492 HydrophobicContact CE2-CB 3.76Å; F451-M492 HydrophobicContact CE2-SD 4.39Å; F451-C573 HydrophobicContact CE2-CB 4.39Å; F451-C573 HydrophobicContact CZ-CB 4.25Å; F451-L574 HydrophobicContact CE1-CD2 3.56Å; F451-L574 HydrophobicContact CZ-CD2 4.01Å; F451-N577 HydrophobicContact CD2-CB 4.07Å; F451-N577 HydrophobicContact CE2-CB 3.79Å; F451-N577 HydrophobicContact CZ-CB 4.13Å; F451-N584 VanDerWaalsContact CA-O 3.28Å; F451-N584 WeakPolarHBondContact CA-O 3.48Å; F451-N584 VanDerWaalsContact CD1-CA 3.46Å; F451-N584 HydrophobicContact CD1-CB 3.75Å; F451-N584 HydrophobicContact CE1-CB 3.89Å; F451-N584 WeakPolarHBondContact CE1-OD1 3.39Å
452	H	98.4	Very high	96.7	Very high	57 Å²	57	48.8 Å²	48.8	26%	0.264	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-47.5	174.9	179.9	-81.7	0	0	0	111.1	V583 N584	H452-V583 HydrophobicContact CB-CB 4.43Å; H452-V583 HydrophobicContact CB-CG1 4.04Å; H452-V583 PolarHBondContact N-O 3.18Å; H452-N584 PolarHBondContact N-O 3.08Å
453	T	98.2	Very high	97	Very high	67 Å²	67	48.7 Å²	48.7	41%	0.411	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-135.6	94.2	172.3	-48.7	0	0	0	0	107.8	F451 N577 G582 V583	F451-T453 PolarHBondContact O-N 3.36Å; T453-N577 PolarHBondContact O-ND2 3.45Å; T453-G582 CarbonylContact O-C 3.52Å; T453-G582 VanDerWaalsContact O-CA 3.28Å; T453-G582 WeakPolarHBondContact O-CA 3.46Å; T453-V583 PolarHBondContact N-O 3.46Å; T453-V583 PolarHBondContact O-N 2.83Å
454	G	97.5	Very high	97.1	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-84.9	137	177.5	0	0	0	0	0	112	G491 N577	G454-G491 WeakPolarHBondContact CA-O 3.45Å; G454-N577 WeakPolarHBondContact CA-OD1 3.43Å
455	I	98.3	Very high	97.1	Very high	38 Å²	38	46 Å²	46	20%	0.195	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-85.5	134.1	176.6	-57.8	-59.3	0	0	0	110.6	I457 M492 N577 L580	I455-I457 HydrophobicContact CG2-CG1 4.49Å; I455-M492 CarbonylContact O-C 3.51Å; I455-M492 WeakPolarHBondContact O-CA 3.49Å; I455-M492 WeakPolarHBondContact O-CG 3.32Å; I455-N577 PolarHBondContact N-OD1 2.86Å; I455-L580 HydrophobicContact CB-CB 4.22Å; I455-L580 HydrophobicContact CG1-CB 4.02Å; I455-L580 HydrophobicContact CG2-CB 3.95Å; I455-L580 HydrophobicContact CG2-CD1 4.21Å
456	E	98.3	Very high	97.3	Very high	80 Å²	80	44.1 Å²	44.1	37%	0.374	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-81.3	121.4	167.9	-174.8	-175.9	-155.2	0	0	109.6	K458 P493 Q495 Q525	E456-K458 HydrophobicContact CG-CG 4.24Å; E456-K458 WeakPolarHBondContact OE1-CE 3.49Å; E456-K458 WeakPolarHBondContact OE2-CE 3.32Å; E456-K458 IonicContact OE2-NZ 3.93Å; E456-K458 PolarHBondContact OE2-NZ 2.94Å; E456-K458 VanDerWaalsContact OE2-NZ 3.12Å; E456-P493 HydrophobicContact CB-CG 4.37Å; E456-P493 HydrophobicContact CG-CG 4.25Å; E456-Q495 HydrophobicContact CG-CG 4.39Å; E456-Q495 VanDerWaalsContact OE1-CD 3.27Å; E456-Q495 PolarHBondContact OE1-NE2 3.48Å; E456-Q525 PolarHBondContact O-NE2 3.46Å
457	I	98.6	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-103.5	107	-177.5	-57.6	174.2	0	0	0	108.5	I455 W460 M492 P493 I494 Q495 I576 L580	I455-I457 HydrophobicContact CG2-CG1 4.49Å; I457-W460 HydrophobicContact CG2-CB 3.84Å; I457-W460 HydrophobicContact CG2-CG 3.99Å; I457-M492 HydrophobicContact CD1-CE 3.91Å; I457-M492 HydrophobicContact CD1-CG 4.05Å; I457-M492 HydrophobicContact CD1-SD 3.9Å; I457-M492 HydrophobicContact CG1-CG 4.46Å; I457-P493 PolarHBondContact N-O 3.49Å; I457-I494 HydrophobicContact CB-CG1 4.06Å; I457-I494 HydrophobicContact CD1-CD1 4.46Å; I457-I494 HydrophobicContact CD1-CG1 3.82Å; I457-I494 HydrophobicContact CG1-CG1 4.41Å; I457-I494 HydrophobicContact CG2-CG1 4.47Å; I457-Q495 PolarHBondContact O-N 2.77Å; I457-I576 HydrophobicContact CD1-CG2 3.58Å; I457-L580 HydrophobicContact CD1-CD1 3.58Å; I457-L580 HydrophobicContact CG1-CD1 3.59Å
458	K	98.1	Very high	97.5	Very high	116 Å²	116	41.8 Å²	41.8	50%	0.504	22%	0.219	S	C	.	.			trans	-97.8	-47	-177.2	-60.5	-177.5	-179.2	177.7	0	112.1	E456	E456-K458 HydrophobicContact CG-CG 4.24Å; E456-K458 WeakPolarHBondContact OE1-CE 3.49Å; E456-K458 WeakPolarHBondContact OE2-CE 3.32Å; E456-K458 IonicContact OE2-NZ 3.93Å; E456-K458 PolarHBondContact OE2-NZ 2.94Å; E456-K458 VanDerWaalsContact OE2-NZ 3.12Å
459	V	98.4	Very high	97.6	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.236	22%	0.221	C	C	.	.	S	Bend	trans	-121.3	113.7	-175.2	-171.2	0	0	0	0	109.3	C499 L524 Q525	V459-C499 HydrophobicContact CG1-CB 4.39Å; V459-L524 HydrophobicContact CG1-CB 4.29Å; V459-L524 HydrophobicContact CG1-CD1 4.15Å; V459-Q525 WeakPolarHBondContact O-CB 3.39Å; V459-Q525 PolarHBondContact O-N 3.43Å
460	W	98.7	Very high	97.4	Very high	2 Å²	2	49 Å²	49	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.9	-177.1	67.4	-73.7	0	0	0	111.2	I457 I462 T480 I494 P498 C499 L526 V528	I457-W460 HydrophobicContact CG2-CB 3.84Å; I457-W460 HydrophobicContact CG2-CG 3.99Å; W460-I462 HydrophobicContact CE3-CG1 4.19Å; W460-I462 HydrophobicContact CH2-CD1 3.93Å; W460-I462 HydrophobicContact CH2-CG1 4.22Å; W460-I462 HydrophobicContact CZ3-CD1 3.67Å; W460-I462 HydrophobicContact CZ3-CG1 3.5Å; W460-I462 VanDerWaalsContact CZ3-CG1 3.5Å; W460-T480 HydrophobicContact CH2-CG2 3.55Å; W460-T480 HydrophobicContact CZ2-CG2 3.84Å; W460-I494 HydrophobicContact CD2-CG2 4.27Å; W460-I494 HydrophobicContact CG-CG2 4.49Å; W460-I494 HydrophobicContact CZ2-CG2 3.81Å; W460-I494 VanDerWaalsContact NE1-CG2 3.29Å; W460-P498 HydrophobicContact CD2-CB 3.96Å; W460-P498 HydrophobicContact CE3-CB 3.95Å; W460-P498 HydrophobicContact CH2-CB 3.88Å; W460-P498 HydrophobicContact CH2-CG 3.96Å; W460-P498 HydrophobicContact CZ2-CB 3.89Å; W460-P498 VanDerWaalsContact CZ2-CD 3.46Å; W460-P498 HydrophobicContact CZ2-CG 4.11Å; W460-P498 HydrophobicContact CZ3-CB 3.93Å; W460-P498 HydrophobicContact CZ3-CG 4.35Å; W460-P498 CarbonylContact O-C 3.58Å; W460-P498 WeakPolarHBondContact O-CA 3.49Å; W460-P498 WeakPolarHBondContact O-CB 3.46Å; W460-C499 PolarHBondContact O-N 2.95Å; W460-C499 PolarHBondContact O-SG 3.33Å; W460-L526 CarbonylContact C-O 3.58Å; W460-L526 VanDerWaalsContact CA-O 3.28Å; W460-L526 WeakPolarHBondContact CA-O 3.21Å; W460-L526 HydrophobicContact CB-CB 4.21Å; W460-V528 HydrophobicContact CE3-CG2 4.22Å; W460-V528 HydrophobicContact CZ3-CG2 4.33Å
461	A	98.7	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.7	-175.3	0	0	0	0	0	112.5	F500 L517 L524 L526 V528	A461-F500 CarbonylContact C-O 3.56Å; A461-F500 WeakPolarHBondContact CA-O 3.37Å; A461-F500 HydrophobicContact CB-CB 3.96Å; A461-F500 HydrophobicContact CB-CD1 4.43Å; A461-L517 HydrophobicContact CB-CD1 4.23Å; A461-L517 HydrophobicContact CB-CD2 3.9Å; A461-L524 HydrophobicContact CB-CD1 4.2Å; A461-L526 PolarHBondContact N-O 2.81Å; A461-V528 PolarHBondContact O-N 3.4Å
462	I	98.8	Very high	97.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.3	170.5	-60.3	-178.2	0	0	0	109.7	W460 T480 P498 F500 C501 K502 V528 I530	W460-I462 HydrophobicContact CE3-CG1 4.19Å; W460-I462 HydrophobicContact CH2-CD1 3.93Å; W460-I462 HydrophobicContact CH2-CG1 4.22Å; W460-I462 HydrophobicContact CZ3-CD1 3.67Å; W460-I462 HydrophobicContact CZ3-CG1 3.5Å; W460-I462 VanDerWaalsContact CZ3-CG1 3.5Å; I462-T480 WeakPolarHBondContact CD1-OG1 3.15Å; I462-P498 HydrophobicContact CD1-CG 4.04Å; I462-P498 HydrophobicContact CG1-CB 4.17Å; I462-P498 HydrophobicContact CG1-CG 4.19Å; I462-F500 PolarHBondContact N-O 3.08Å; I462-C501 HydrophobicContact CB-CB 4.36Å; I462-C501 WeakPolarHBondContact O-CA 3.43Å; I462-K502 PolarHBondContact O-N 2.87Å; I462-V528 WeakPolarHBondContact CA-O 3.36Å; I462-V528 HydrophobicContact CG1-CB 4.38Å; I462-I530 HydrophobicContact CG2-CD1 3.96Å
463	A	98.6	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.3	169.4	0	0	0	0	0	109.6	F465 M513 V527 V528 V529 I530	A463-F465 HydrophobicContact CB-CD2 4.49Å; A463-F465 HydrophobicContact CB-CE2 3.92Å; A463-M513 HydrophobicContact CB-SD 3.59Å; A463-M513 VanDerWaalsContact CB-SD 3.59Å; A463-V527 HydrophobicContact CB-CG1 4.26Å; A463-V528 PolarHBondContact N-O 2.88Å; A463-V529 CarbonylContact O-C 3.58Å; A463-V529 VanDerWaalsContact O-CA 3.32Å; A463-V529 WeakPolarHBondContact O-CA 3.33Å; A463-I530 PolarHBondContact O-N 3.42Å
464	C	98.4	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.7	-176.5	-168.5	0	0	0	0	111.6	L476 K502 Y503 A504 I530	C464-L476 HydrophobicContact CB-CD1 4.39Å; C464-K502 PolarHBondContact N-O 2.78Å; C464-Y503 HydrophobicContact CB-CD1 3.72Å; C464-Y503 HydrophobicContact CB-CE1 3.93Å; C464-Y503 HydrophobicContact CB-CG 4.45Å; C464-Y503 CarbonylContact O-C 3.32Å; C464-Y503 VanDerWaalsContact O-CA 3.24Å; C464-Y503 WeakPolarHBondContact O-CA 3.31Å; C464-A504 PolarHBondContact O-N 3.31Å; C464-I530 HydrophobicContact CB-CB 4.4Å
465	F	97.8	Very high	97	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.044	26%	0.261	C	S	.	.			trans	-94.2	2.6	175.4	-69.3	-99.8	0	0	0	113	A463 A504 G506 S509 V510 V529 I530 L531 V537	A463-F465 HydrophobicContact CB-CD2 4.49Å; A463-F465 HydrophobicContact CB-CE2 3.92Å; F465-A504 WeakPolarHBondContact CA-O 3.37Å; F465-A504 HydrophobicContact CD1-CB 3.99Å; F465-A504 HydrophobicContact CE1-CB 3.69Å; F465-A504 HydrophobicContact CE2-CB 4.46Å; F465-A504 HydrophobicContact CZ-CB 3.93Å; F465-G506 WeakPolarHBondContact CE1-O 3.4Å; F465-S509 WeakPolarHBondContact CE1-OG 3.29Å; F465-V510 HydrophobicContact CE1-CG2 3.7Å; F465-V510 HydrophobicContact CE2-CG2 4.45Å; F465-V510 HydrophobicContact CZ-CB 4.4Å; F465-V510 HydrophobicContact CZ-CG2 3.53Å; F465-V529 HydrophobicContact CD2-CG1 3.67Å; F465-V529 HydrophobicContact CE2-CG1 3.88Å; F465-I530 WeakPolarHBondContact CA-O 3.23Å; F465-I530 WeakPolarHBondContact CB-O 3.45Å; F465-I530 PolarHBondContact N-O 3.38Å; F465-L531 HydrophobicContact CB-CD2 4.21Å; F465-V537 HydrophobicContact CB-CG1 4.3Å; F465-V537 HydrophobicContact CD1-CG1 3.65Å; F465-V537 HydrophobicContact CD1-CG2 4.27Å; F465-V537 HydrophobicContact CD2-CG1 4.16Å; F465-V537 HydrophobicContact CE1-CG1 3.91Å; F465-V537 HydrophobicContact CE2-CG1 4.41Å; F465-V537 HydrophobicContact CG-CG1 3.78Å; F465-V537 HydrophobicContact CZ-CG1 4.3Å
466	A	96.4	Very high	97	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	25%	0.253	C	S	.	.	S	Bend	trans	-82.1	142.1	169.7	0	0	0	0	0	109.5	Q468 C471 I530 P532 V558	A466-Q468 PolarHBondContact O-N 3.46Å; A466-C471 HydrophobicContact CB-CB 3.91Å; A466-I530 HydrophobicContact CB-CG2 4.25Å; A466-P532 HydrophobicContact CB-CB 4.4Å; A466-V558 HydrophobicContact CB-CB 3.98Å; A466-V558 HydrophobicContact CB-CG2 3.76Å
467	P	94.8	Very high	96.9	Very high	50 Å²	50	55.5 Å²	55.5	33%	0.325	26%	0.261	S	S	.	.			trans	-56.4	137.3	176.4	-24	33.2	0	0	0	111.5	R469 Q470 C471	P467-R469 PolarHBondContact O-N 3.32Å; P467-R469 VanDerWaalsContact O-N 3.1Å; P467-Q470 WeakPolarHBondContact O-CA 3.5Å; P467-Q470 PolarHBondContact O-N 2.81Å; P467-C471 PolarHBondContact O-N 3Å
468	Q	94.6	Very high	96.9	Very high	107 Å²	107	57.9 Å²	57.9	50%	0.5	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32	-178.3	-173.9	177.1	12.3	0	0	113	A466 Q470 C471 T472 Y503	A466-Q468 PolarHBondContact O-N 3.46Å; Q468-Q470 VanDerWaalsContact C-N 3.28Å; Q468-Q470 PolarHBondContact O-N 2.94Å; Q468-C471 CarbonylContact O-C 3.2Å; Q468-C471 PolarHBondContact O-N 2.99Å; Q468-T472 WeakPolarHBondContact O-CA 3.39Å; Q468-T472 WeakPolarHBondContact O-CG2 3.45Å; Q468-T472 PolarHBondContact O-N 3.49Å; Q468-Y503 HydrophobicContact CB-CD1 4.17Å; Q468-Y503 HydrophobicContact CB-CE1 3.96Å; Q468-Y503 HydrophobicContact CB-CE2 4.37Å; Q468-Y503 HydrophobicContact CB-CG 4.47Å; Q468-Y503 HydrophobicContact CG-CD2 4.45Å; Q468-Y503 HydrophobicContact CG-CE1 4.16Å; Q468-Y503 HydrophobicContact CG-CE2 3.91Å
469	R	93.4	Very high	96.9	Very high	242 Å²	242	52.4 Å²	52.4	91%	0.913	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.9	174.8	-64.6	-176.5	-177.5	177.9	0.4	113.1	P467	P467-R469 PolarHBondContact O-N 3.32Å; P467-R469 VanDerWaalsContact O-N 3.1Å
470	Q	92.6	Very high	96.9	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-34.5	178	-65.3	-179.3	1.2	0	0	111.8	P467 Q468 Q562	P467-Q470 WeakPolarHBondContact O-CA 3.5Å; P467-Q470 PolarHBondContact O-N 2.81Å; Q468-Q470 VanDerWaalsContact C-N 3.28Å; Q468-Q470 PolarHBondContact O-N 2.94Å; Q470-Q562 PolarHBondContact O-NE2 3.5Å
471	C	96.1	Very high	96.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-127.2	90.9	-179.7	-167.1	0	0	0	0	108.8	A466 P467 Q468 L476 Y503 V558	A466-C471 HydrophobicContact CB-CB 3.91Å; P467-C471 PolarHBondContact O-N 3Å; Q468-C471 CarbonylContact O-C 3.2Å; Q468-C471 PolarHBondContact O-N 2.99Å; C471-L476 VanDerWaalsContact SG-CD2 3.58Å; C471-Y503 WeakPolarHBondContact O-CE1 3.32Å; C471-Y503 PolarHBondContact O-OH 3.45Å; C471-V558 HydrophobicContact CB-CG2 3.66Å
472	T	97.1	Very high	96.8	Very high	55 Å²	55	57.5 Å²	57.5	34%	0.337	28%	0.281	S	S	.	.			trans	-76.9	164.2	-178.5	63	0	0	0	0	111.6	Q468 L474 L475 L476 Y503	Q468-T472 WeakPolarHBondContact O-CA 3.39Å; Q468-T472 WeakPolarHBondContact O-CG2 3.45Å; Q468-T472 PolarHBondContact O-N 3.49Å; T472-L474 PolarHBondContact O-N 3.27Å; T472-L475 WeakPolarHBondContact O-CB 3.3Å; T472-L475 PolarHBondContact O-N 3.48Å; T472-L475 WeakPolarHBondContact OG1-CG 3.47Å; T472-L475 PolarHBondContact OG1-N 3.44Å; T472-L476 PolarHBondContact O-N 3.32Å; T472-Y503 VanDerWaalsContact C-OH 3.24Å
473	E	95.8	Very high	96.8	Very high	125 Å²	125	57.5 Å²	57.5	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-62	-33	177.3	-64.6	-179.1	178.6	0	0	112.4	L475 L476 K477 Y503	E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.8Å; E473-L476 WeakPolarHBondContact O-CB 3.48Å; E473-L476 PolarHBondContact O-N 2.77Å; E473-K477 WeakPolarHBondContact O-CB 3.29Å; E473-K477 PolarHBondContact O-N 3.21Å; E473-Y503 HydrophobicContact CG-CE2 3.9Å; E473-Y503 WeakPolarHBondContact CG-OH 3.41Å; E473-Y503 PolarHBondContact N-OH 3.49Å; E473-Y503 VanDerWaalsContact N-OH 3.12Å
474	L	96.6	Very high	96.8	Very high	135 Å²	135	60.9 Å²	60.9	71%	0.707	29%	0.293	S	S	*	.	H	α-helix	trans	-60.1	-42.8	173.4	-175.3	67.8	0	0	0	111.5	T472 K477 A478	T472-L474 PolarHBondContact O-N 3.27Å; L474-K477 PolarHBondContact O-N 2.81Å; L474-A478 WeakPolarHBondContact O-CB 3.3Å; L474-A478 PolarHBondContact O-N 3.28Å
475	L	97.2	Very high	96.8	Very high	50 Å²	50	65.8 Å²	65.8	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-67.1	-38.8	176.4	-68.4	172.8	0	0	0	111.7	T472 E473 A478 F479 Q562	T472-L475 WeakPolarHBondContact O-CB 3.3Å; T472-L475 PolarHBondContact O-N 3.48Å; T472-L475 WeakPolarHBondContact OG1-CG 3.47Å; T472-L475 PolarHBondContact OG1-N 3.44Å; E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.8Å; L475-A478 PolarHBondContact O-N 2.78Å; L475-F479 VanDerWaalsContact O-CB 3.27Å; L475-F479 WeakPolarHBondContact O-CB 3.28Å; L475-F479 PolarHBondContact O-N 3.23Å; L475-Q562 HydrophobicContact CD1-CG 4.01Å
476	L	97.7	Very high	96.8	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-43.3	175	-65.1	-179.2	0	0	0	111.9	C464 C471 T472 E473 T480 Y503 I530 V561	C464-L476 HydrophobicContact CB-CD1 4.39Å; C471-L476 VanDerWaalsContact SG-CD2 3.58Å; T472-L476 PolarHBondContact O-N 3.32Å; E473-L476 WeakPolarHBondContact O-CB 3.48Å; E473-L476 PolarHBondContact O-N 2.77Å; L476-T480 VanDerWaalsContact O-CB 3.31Å; L476-T480 WeakPolarHBondContact O-CB 3.37Å; L476-T480 PolarHBondContact O-N 2.81Å; L476-T480 PolarHBondContact O-OG1 3.48Å; L476-Y503 HydrophobicContact CD1-CE1 4.21Å; L476-Y503 HydrophobicContact CD1-CE2 4.46Å; L476-Y503 WeakPolarHBondContact CD1-OH 3.49Å; L476-I530 HydrophobicContact CD2-CD1 3.08Å; L476-V561 HydrophobicContact CD2-CG1 4.27Å
477	K	97.3	Very high	96.9	Very high	127 Å²	127	66.5 Å²	66.5	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-64.2	-49.8	176.4	-173.7	176	-179.5	177.3	0	111.2	E473 L474 F479 T480 D481	E473-K477 WeakPolarHBondContact O-CB 3.29Å; E473-K477 PolarHBondContact O-N 3.21Å; L474-K477 PolarHBondContact O-N 2.81Å; K477-F479 VanDerWaalsContact C-N 3.34Å; K477-F479 PolarHBondContact O-N 3.1Å; K477-T480 WeakPolarHBondContact O-CB 3.24Å; K477-T480 PolarHBondContact O-N 2.99Å; K477-T480 VanDerWaalsContact O-N 3.11Å; K477-D481 PolarHBondContact O-N 3.43Å
478	A	97.6	Very high	97	Very high	50 Å²	50	71.3 Å²	71.3	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-43.4	178.3	0	0	0	0	0	112.4	L474 L475 Q482	L474-A478 WeakPolarHBondContact O-CB 3.3Å; L474-A478 PolarHBondContact O-N 3.28Å; L475-A478 PolarHBondContact O-N 2.78Å; A478-Q482 WeakPolarHBondContact O-CG 3.27Å; A478-Q482 PolarHBondContact O-N 3.1Å; A478-Q482 VanDerWaalsContact O-N 3.14Å
479	F	98.4	Very high	97.1	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-46.4	173.3	166.2	-99.1	0	0	0	111.8	L475 K477 Q482 L483 V528 V556 V561 T564 L569 L572	L475-F479 VanDerWaalsContact O-CB 3.27Å; L475-F479 WeakPolarHBondContact O-CB 3.28Å; L475-F479 PolarHBondContact O-N 3.23Å; K477-F479 VanDerWaalsContact C-N 3.34Å; K477-F479 PolarHBondContact O-N 3.1Å; F479-Q482 PolarHBondContact O-N 3.09Å; F479-L483 HydrophobicContact CE1-CD2 4.02Å; F479-L483 HydrophobicContact CZ-CD2 3.9Å; F479-L483 VanDerWaalsContact O-CB 3.31Å; F479-L483 WeakPolarHBondContact O-CB 3.22Å; F479-L483 PolarHBondContact O-N 2.91Å; F479-V528 HydrophobicContact CE1-CG1 4.35Å; F479-V556 HydrophobicContact CE2-CG1 4.49Å; F479-V556 HydrophobicContact CZ-CG2 4.37Å; F479-V561 HydrophobicContact CB-CG1 3.71Å; F479-V561 HydrophobicContact CD1-CG1 4.4Å; F479-V561 HydrophobicContact CD2-CB 4.37Å; F479-V561 HydrophobicContact CD2-CG1 4.28Å; F479-V561 HydrophobicContact CD2-CG2 4.21Å; F479-V561 HydrophobicContact CE2-CG2 4.35Å; F479-V561 HydrophobicContact CG-CB 4.45Å; F479-V561 HydrophobicContact CG-CG1 3.88Å; F479-V561 HydrophobicContact CG-CG2 4.41Å; F479-T564 HydrophobicContact CB-CG2 4.33Å; F479-T564 HydrophobicContact CD2-CG2 3.75Å; F479-L569 HydrophobicContact CD2-CD2 4.09Å; F479-L569 HydrophobicContact CE2-CD2 3.65Å; F479-L572 HydrophobicContact CE2-CD2 4.37Å; F479-L572 HydrophobicContact CZ-CD2 4.03Å
480	T	98.3	Very high	97.3	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-48.1	179.7	-65.3	0	0	0	0	111.3	W460 I462 L476 K477 Q482 L483 R484	W460-T480 HydrophobicContact CH2-CG2 3.55Å; W460-T480 HydrophobicContact CZ2-CG2 3.84Å; I462-T480 WeakPolarHBondContact CD1-OG1 3.15Å; L476-T480 VanDerWaalsContact O-CB 3.31Å; L476-T480 WeakPolarHBondContact O-CB 3.37Å; L476-T480 PolarHBondContact O-N 2.81Å; L476-T480 PolarHBondContact O-OG1 3.48Å; K477-T480 WeakPolarHBondContact O-CB 3.24Å; K477-T480 PolarHBondContact O-N 2.99Å; K477-T480 VanDerWaalsContact O-N 3.11Å; T480-Q482 PolarHBondContact O-N 2.87Å; T480-L483 PolarHBondContact O-N 2.84Å; T480-R484 HydrophobicContact CG2-CG 4.26Å; T480-R484 WeakPolarHBondContact O-CB 3.34Å; T480-R484 WeakPolarHBondContact O-CG 3.26Å; T480-R484 PolarHBondContact O-N 2.93Å
481	D	98.1	Very high	97.5	Very high	60 Å²	60	55 Å²	55	32%	0.321	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-178.2	-68.3	-27.1	0	0	0	111.8	K477 R484 K485 Q497	K477-D481 PolarHBondContact O-N 3.43Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 IonicContact OD1-NH1 2.87Å; D481-K485 PolarHBondContact O-N 3.35Å; D481-Q497 PolarHBondContact OD1-NE2 2.84Å
482	Q	98.1	Very high	97.6	Very high	84 Å²	84	55 Å²	55	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-42.2	174.7	-67	-59.3	-38.1	0	0	112.2	A478 F479 T480 K485 I486 L569	A478-Q482 WeakPolarHBondContact O-CG 3.27Å; A478-Q482 PolarHBondContact O-N 3.1Å; A478-Q482 VanDerWaalsContact O-N 3.14Å; F479-Q482 PolarHBondContact O-N 3.09Å; T480-Q482 PolarHBondContact O-N 2.87Å; Q482-K485 PolarHBondContact O-N 3.28Å; Q482-I486 WeakPolarHBondContact O-CG1 3.34Å; Q482-I486 PolarHBondContact O-N 3.46Å; Q482-L569 HydrophobicContact CB-CD1 3.63Å
483	L	98.4	Very high	97.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.8	179.8	61.1	0	0	0	110.9	F479 T480 K485 I486 S487 I494 L569 L572	F479-L483 HydrophobicContact CE1-CD2 4.02Å; F479-L483 HydrophobicContact CZ-CD2 3.9Å; F479-L483 VanDerWaalsContact O-CB 3.31Å; F479-L483 WeakPolarHBondContact O-CB 3.22Å; F479-L483 PolarHBondContact O-N 2.91Å; T480-L483 PolarHBondContact O-N 2.84Å; L483-K485 PolarHBondContact O-N 2.76Å; L483-I486 PolarHBondContact O-N 2.96Å; L483-S487 WeakPolarHBondContact O-CB 3.28Å; L483-S487 PolarHBondContact O-N 2.96Å; L483-S487 PolarHBondContact O-OG 2.95Å; L483-I494 HydrophobicContact CD2-CD1 4.25Å; L483-I494 HydrophobicContact CG-CD1 4Å; L483-L569 HydrophobicContact CB-CD2 4.47Å; L483-L569 HydrophobicContact CD1-CD2 4.29Å; L483-L572 HydrophobicContact CD1-CD2 4.13Å; L483-L572 HydrophobicContact CD2-CD2 4.44Å
484	R	98.4	Very high	97.8	Very high	71 Å²	71	49.1 Å²	49.1	27%	0.268	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-46.6	176.7	-72.9	176.8	67.9	-146.2	1.7	111.4	T480 D481 S487 R488 I494 G496	T480-R484 HydrophobicContact CG2-CG 4.26Å; T480-R484 WeakPolarHBondContact O-CB 3.34Å; T480-R484 WeakPolarHBondContact O-CG 3.26Å; T480-R484 PolarHBondContact O-N 2.93Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 IonicContact OD1-NH1 2.87Å; R484-S487 WeakPolarHBondContact CA-OG 3.17Å; R484-S487 PolarHBondContact O-N 3Å; R484-S487 PolarHBondContact O-OG 2.89Å; R484-R488 PolarHBondContact O-N 3.26Å; R484-I494 HydrophobicContact CG-CB 3.95Å; R484-I494 HydrophobicContact CG-CG2 3.83Å; R484-I494 PolarHBondContact NE-O 3.07Å; R484-G496 WeakPolarHBondContact CD-O 3.42Å; R484-G496 VanDerWaalsContact CZ-O 3.31Å; R484-G496 PolarHBondContact NE-O 3.41Å
485	K	97.9	Very high	97.7	Very high	103 Å²	103	46.7 Å²	46.7	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-55.4	-56.5	175.4	-178.7	-177.9	177.1	-178.5	0	111.4	D481 Q482 L483 S487 R488 D489	D481-K485 PolarHBondContact O-N 3.35Å; Q482-K485 PolarHBondContact O-N 3.28Å; L483-K485 PolarHBondContact O-N 2.76Å; K485-S487 VanDerWaalsContact C-N 3.3Å; K485-S487 PolarHBondContact O-N 2.81Å; K485-R488 PolarHBondContact O-N 3.41Å; K485-D489 VanDerWaalsContact O-CG 3.23Å; K485-D489 PolarHBondContact O-N 2.8Å
486	I	97.9	Very high	97.5	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-36.3	-178	-63	-63.6	0	0	0	111.8	Q482 L483 D489 A490 P566 L569	Q482-I486 WeakPolarHBondContact O-CG1 3.34Å; Q482-I486 PolarHBondContact O-N 3.46Å; L483-I486 PolarHBondContact O-N 2.96Å; I486-D489 PolarHBondContact O-N 3.29Å; I486-A490 WeakPolarHBondContact O-CB 3.43Å; I486-A490 PolarHBondContact O-N 2.98Å; I486-P566 HydrophobicContact CD1-CB 4.16Å; I486-L569 HydrophobicContact CB-CB 4.32Å; I486-L569 HydrophobicContact CG1-CB 4.2Å; I486-L569 HydrophobicContact CG1-CD1 4.23Å; I486-L569 HydrophobicContact CG2-CB 4.2Å
487	S	97.9	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-42.6	177.3	76.5	0	0	0	0	112.1	L483 R484 K485 A490 G491 M492 I494	L483-S487 WeakPolarHBondContact O-CB 3.28Å; L483-S487 PolarHBondContact O-N 2.96Å; L483-S487 PolarHBondContact O-OG 2.95Å; R484-S487 WeakPolarHBondContact CA-OG 3.17Å; R484-S487 PolarHBondContact O-N 3Å; R484-S487 PolarHBondContact O-OG 2.89Å; K485-S487 VanDerWaalsContact C-N 3.3Å; K485-S487 PolarHBondContact O-N 2.81Å; S487-A490 CarbonylContact O-C 3.29Å; S487-A490 PolarHBondContact O-N 2.97Å; S487-G491 PolarHBondContact O-N 2.94Å; S487-M492 CarbonylContact C-O 3.6Å; S487-M492 VanDerWaalsContact C-O 3.29Å; S487-M492 WeakPolarHBondContact CB-O 3.44Å; S487-M492 CarbonylContact O-C 3.52Å; S487-M492 WeakPolarHBondContact O-CA 3.47Å; S487-M492 PolarHBondContact O-N 2.96Å; S487-M492 PolarHBondContact OG-O 3.04Å; S487-I494 WeakPolarHBondContact OG-CG1 3.41Å; S487-I494 PolarHBondContact OG-N 2.8Å
488	R	97.8	Very high	97.4	Very high	151 Å²	151	45.9 Å²	45.9	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-65.2	-44.9	176	-179.6	-175.9	61.8	-143.6	-3.2	111.3	R484 K485 A490 G491	R484-R488 PolarHBondContact O-N 3.26Å; K485-R488 PolarHBondContact O-N 3.41Å; R488-A490 PolarHBondContact O-N 3.48Å; R488-G491 PolarHBondContact O-N 2.8Å
489	D	96.7	Very high	97.4	Very high	84 Å²	84	45.7 Å²	45.7	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-32.2	178.8	-60.7	-12.8	0	0	0	111.2	K485 I486 G491	K485-D489 VanDerWaalsContact O-CG 3.23Å; K485-D489 PolarHBondContact O-N 2.8Å; I486-D489 PolarHBondContact O-N 3.29Å; D489-G491 VanDerWaalsContact C-N 3.31Å
490	A	97.1	Very high	97.4	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.3	173.5	0	0	0	0	0	114.4	M446 Q450 F451 I486 S487 R488	M446-A490 HydrophobicContact CE-CB 4.04Å; Q450-A490 CarbonylContact C-O 3.53Å; Q450-A490 WeakPolarHBondContact CA-O 3.5Å; F451-A490 HydrophobicContact CD2-CB 4.27Å; F451-A490 WeakPolarHBondContact CD2-O 3.29Å; F451-A490 HydrophobicContact CE2-CB 3.82Å; F451-A490 WeakPolarHBondContact CG-O 3.32Å; F451-A490 HydrophobicContact CZ-CB 4.19Å; F451-A490 PolarHBondContact N-O 3.21Å; I486-A490 WeakPolarHBondContact O-CB 3.43Å; I486-A490 PolarHBondContact O-N 2.98Å; S487-A490 CarbonylContact O-C 3.29Å; S487-A490 PolarHBondContact O-N 2.97Å; R488-A490 PolarHBondContact O-N 3.48Å
491	G	97.4	Very high	97.4	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	17.5	-179.2	0	0	0	0	0	115.1	G454 S487 R488 D489 P493	G454-G491 WeakPolarHBondContact CA-O 3.45Å; S487-G491 PolarHBondContact O-N 2.94Å; R488-G491 PolarHBondContact O-N 2.8Å; D489-G491 VanDerWaalsContact C-N 3.31Å; G491-P493 VanDerWaalsContact C-CD 3.47Å; G491-P493 WeakPolarHBondContact O-CD 3.43Å
492	M	98.2	Very high	97.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.			trans	-116	72.3	172.3	-177.4	-164.8	73.4	0	0	108.8	F451 I455 I457 S487 I494 C573 I576 N577	F451-M492 HydrophobicContact CD2-CB 3.77Å; F451-M492 HydrophobicContact CE2-CB 3.76Å; F451-M492 HydrophobicContact CE2-SD 4.39Å; I455-M492 CarbonylContact O-C 3.51Å; I455-M492 WeakPolarHBondContact O-CA 3.49Å; I455-M492 WeakPolarHBondContact O-CG 3.32Å; I457-M492 HydrophobicContact CD1-CE 3.91Å; I457-M492 HydrophobicContact CD1-CG 4.05Å; I457-M492 HydrophobicContact CD1-SD 3.9Å; I457-M492 HydrophobicContact CG1-CG 4.46Å; S487-M492 CarbonylContact C-O 3.6Å; S487-M492 VanDerWaalsContact C-O 3.29Å; S487-M492 WeakPolarHBondContact CB-O 3.44Å; S487-M492 CarbonylContact O-C 3.52Å; S487-M492 WeakPolarHBondContact O-CA 3.47Å; S487-M492 PolarHBondContact O-N 2.96Å; S487-M492 PolarHBondContact OG-O 3.04Å; M492-I494 HydrophobicContact CE-CD1 4.48Å; M492-I494 PolarHBondContact O-N 2.99Å; M492-C573 HydrophobicContact CE-CB 3.91Å; M492-I576 HydrophobicContact CE-CB 4.09Å; M492-I576 HydrophobicContact CE-CG2 3.88Å; M492-I576 HydrophobicContact SD-CB 4.03Å; M492-I576 HydrophobicContact SD-CG2 3.71Å; M492-N577 HydrophobicContact CG-CB 4.37Å; M492-N577 VanDerWaalsContact SD-CA 3.57Å; M492-N577 HydrophobicContact SD-CB 3.6Å; M492-N577 VanDerWaalsContact SD-CB 3.6Å; M492-N577 PolarHBondContact SD-N 3.38Å; M492-N577 VanDerWaalsContact SD-N 3.43Å
493	P	97.9	Very high	97.3	Very high	45 Å²	45	51.4 Å²	51.4	29%	0.292	26%	0.261	S	S	.	.			trans	-66	123.2	-170.5	26.8	-33.8	0	0	0	111.6	E456 I457 G491	E456-P493 HydrophobicContact CB-CG 4.37Å; E456-P493 HydrophobicContact CG-CG 4.25Å; I457-P493 PolarHBondContact N-O 3.49Å; G491-P493 VanDerWaalsContact C-CD 3.47Å; G491-P493 WeakPolarHBondContact O-CD 3.43Å
494	I	98.4	Very high	97.2	Very high	11 Å²	11	52 Å²	52	6%	0.056	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-87.9	107.9	166.2	-62.3	168	0	0	0	109.1	I457 W460 L483 R484 S487 M492	I457-I494 HydrophobicContact CB-CG1 4.06Å; I457-I494 HydrophobicContact CD1-CD1 4.46Å; I457-I494 HydrophobicContact CD1-CG1 3.82Å; I457-I494 HydrophobicContact CG1-CG1 4.41Å; I457-I494 HydrophobicContact CG2-CG1 4.47Å; W460-I494 HydrophobicContact CD2-CG2 4.27Å; W460-I494 HydrophobicContact CG-CG2 4.49Å; W460-I494 HydrophobicContact CZ2-CG2 3.81Å; W460-I494 VanDerWaalsContact NE1-CG2 3.29Å; L483-I494 HydrophobicContact CD2-CD1 4.25Å; L483-I494 HydrophobicContact CG-CD1 4Å; R484-I494 HydrophobicContact CG-CB 3.95Å; R484-I494 HydrophobicContact CG-CG2 3.83Å; R484-I494 PolarHBondContact NE-O 3.07Å; S487-I494 WeakPolarHBondContact OG-CG1 3.41Å; S487-I494 PolarHBondContact OG-N 2.8Å; M492-I494 HydrophobicContact CE-CD1 4.48Å; M492-I494 PolarHBondContact O-N 2.99Å
495	Q	94.7	Very high	96.9	Very high	85 Å²	85	56 Å²	56	40%	0.397	29%	0.288	S	S	.	.			trans	-81.3	137.9	179.3	-63.8	-168.1	-19.4	0	0	111.2	E456 I457	E456-Q495 HydrophobicContact CG-CG 4.39Å; E456-Q495 VanDerWaalsContact OE1-CD 3.27Å; E456-Q495 PolarHBondContact OE1-NE2 3.48Å; I457-Q495 PolarHBondContact O-N 2.77Å
496	G	92.6	Very high	96.6	Very high	39 Å²	39	53.1 Å²	53.1	40%	0.402	29%	0.287	S	S	.	.	S	Bend	trans	62.2	-172	176.3	0	0	0	0	0	115.6	R484	R484-G496 WeakPolarHBondContact CD-O 3.42Å; R484-G496 VanDerWaalsContact CZ-O 3.31Å; R484-G496 PolarHBondContact NE-O 3.41Å
497	Q	96.9	Very high	96.3	Very high	99 Å²	99	53 Å²	53	46%	0.463	29%	0.29	S	S	.	.	S	Bend	trans	-86	162	169.7	-71.1	-62.2	-27	0	0	109.5	D481	D481-Q497 PolarHBondContact OD1-NE2 2.84Å
498	P	97.6	Very high	96.1	Very high	25 Å²	25	60.1 Å²	60.1	16%	0.162	33%	0.328	C	S	.	.			trans	-62	142.5	177.6	27.1	-34.3	0	0	0	110.8	W460 I462 F500 C501	W460-P498 HydrophobicContact CD2-CB 3.96Å; W460-P498 HydrophobicContact CE3-CB 3.95Å; W460-P498 HydrophobicContact CH2-CB 3.88Å; W460-P498 HydrophobicContact CH2-CG 3.96Å; W460-P498 HydrophobicContact CZ2-CB 3.89Å; W460-P498 VanDerWaalsContact CZ2-CD 3.46Å; W460-P498 HydrophobicContact CZ2-CG 4.11Å; W460-P498 HydrophobicContact CZ3-CB 3.93Å; W460-P498 HydrophobicContact CZ3-CG 4.35Å; W460-P498 CarbonylContact O-C 3.58Å; W460-P498 WeakPolarHBondContact O-CA 3.49Å; W460-P498 WeakPolarHBondContact O-CB 3.46Å; I462-P498 HydrophobicContact CD1-CG 4.04Å; I462-P498 HydrophobicContact CG1-CB 4.17Å; I462-P498 HydrophobicContact CG1-CG 4.19Å; P498-F500 PolarHBondContact O-N 3.36Å; P498-C501 HydrophobicContact CG-CB 4.3Å
499	C	97.7	Very high	96.1	Very high	47 Å²	47	54.5 Å²	54.5	32%	0.318	31%	0.311	S	S	.	.	S	Bend	trans	-69.8	-16.9	178.7	66.9	0	0	0	0	112.8	V459 W460 Y521	V459-C499 HydrophobicContact CG1-CB 4.39Å; W460-C499 PolarHBondContact O-N 2.95Å; W460-C499 PolarHBondContact O-SG 3.33Å; C499-Y521 HydrophobicContact CB-CD1 3.72Å; C499-Y521 HydrophobicContact CB-CE1 3.78Å; C499-Y521 VanDerWaalsContact O-CE1 3.3Å; C499-Y521 WeakPolarHBondContact O-CE1 3.45Å; C499-Y521 PolarHBondContact O-OH 2.87Å; C499-Y521 WeakPolarHBondContact SG-CD1 3.14Å
500	F	98	Very high	96.1	Very high	27 Å²	27	50.5 Å²	50.5	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.4	177.5	179.4	-86.6	0	0	0	110.2	A461 I462 P498 K502 M513 L517 Y521	A461-F500 CarbonylContact C-O 3.56Å; A461-F500 WeakPolarHBondContact CA-O 3.37Å; A461-F500 HydrophobicContact CB-CB 3.96Å; A461-F500 HydrophobicContact CB-CD1 4.43Å; I462-F500 PolarHBondContact N-O 3.08Å; P498-F500 PolarHBondContact O-N 3.36Å; F500-K502 HydrophobicContact CD1-CB 4.47Å; F500-K502 HydrophobicContact CD1-CG 4.41Å; F500-K502 HydrophobicContact CD2-CG 4.34Å; F500-K502 HydrophobicContact CE1-CB 3.58Å; F500-K502 HydrophobicContact CE1-CG 3.73Å; F500-K502 HydrophobicContact CE2-CB 4.37Å; F500-K502 HydrophobicContact CE2-CG 3.63Å; F500-K502 HydrophobicContact CZ-CB 3.53Å; F500-K502 HydrophobicContact CZ-CG 3.29Å; F500-M513 HydrophobicContact CE1-CE 4.4Å; F500-M513 HydrophobicContact CE1-CG 4.33Å; F500-M513 HydrophobicContact CE1-SD 4.03Å; F500-M513 HydrophobicContact CZ-CE 4.39Å; F500-M513 HydrophobicContact CZ-CG 4.36Å; F500-M513 HydrophobicContact CZ-SD 4.44Å; F500-L517 HydrophobicContact CB-CD2 3.7Å; F500-L517 HydrophobicContact CD1-CD2 3.66Å; F500-L517 HydrophobicContact CD2-CD2 4.01Å; F500-L517 HydrophobicContact CE1-CD2 4.19Å; F500-L517 HydrophobicContact CG-CD2 3.54Å; F500-Y521 HydrophobicContact CB-CE2 3.97Å; F500-Y521 HydrophobicContact CD2-CE2 4.1Å; F500-Y521 HydrophobicContact CG-CE2 4.4Å
501	C	97.6	Very high	96.1	Very high	56 Å²	56	52 Å²	52	38%	0.378	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	107.7	173.7	-173.6	0	0	0	0	109.6	I462 P498	I462-C501 HydrophobicContact CB-CB 4.36Å; I462-C501 WeakPolarHBondContact O-CA 3.43Å; P498-C501 HydrophobicContact CG-CB 4.3Å
502	K	97.2	Very high	96.1	Very high	127 Å²	127	54.9 Å²	54.9	55%	0.552	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.4	-179.7	-67.9	-68.1	-176.3	176.7	0	112.7	I462 C464 F500	I462-K502 PolarHBondContact O-N 2.87Å; C464-K502 PolarHBondContact N-O 2.78Å; F500-K502 HydrophobicContact CD1-CB 4.47Å; F500-K502 HydrophobicContact CD1-CG 4.41Å; F500-K502 HydrophobicContact CD2-CG 4.34Å; F500-K502 HydrophobicContact CE1-CB 3.58Å; F500-K502 HydrophobicContact CE1-CG 3.73Å; F500-K502 HydrophobicContact CE2-CB 4.37Å; F500-K502 HydrophobicContact CE2-CG 3.63Å; F500-K502 HydrophobicContact CZ-CB 3.53Å; F500-K502 HydrophobicContact CZ-CG 3.29Å
503	Y	97.5	Very high	96.1	Very high	60 Å²	60	56.2 Å²	56.2	24%	0.235	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.8	169.2	-63.3	-86	0	0	0	111.1	C464 Q468 C471 T472 E473 L476	C464-Y503 HydrophobicContact CB-CD1 3.72Å; C464-Y503 HydrophobicContact CB-CE1 3.93Å; C464-Y503 HydrophobicContact CB-CG 4.45Å; C464-Y503 CarbonylContact O-C 3.32Å; C464-Y503 VanDerWaalsContact O-CA 3.24Å; C464-Y503 WeakPolarHBondContact O-CA 3.31Å; Q468-Y503 HydrophobicContact CB-CD1 4.17Å; Q468-Y503 HydrophobicContact CB-CE1 3.96Å; Q468-Y503 HydrophobicContact CB-CE2 4.37Å; Q468-Y503 HydrophobicContact CB-CG 4.47Å; Q468-Y503 HydrophobicContact CG-CD2 4.45Å; Q468-Y503 HydrophobicContact CG-CE1 4.16Å; Q468-Y503 HydrophobicContact CG-CE2 3.91Å; C471-Y503 WeakPolarHBondContact O-CE1 3.32Å; C471-Y503 PolarHBondContact O-OH 3.45Å; T472-Y503 VanDerWaalsContact C-OH 3.24Å; E473-Y503 HydrophobicContact CG-CE2 3.9Å; E473-Y503 WeakPolarHBondContact CG-OH 3.41Å; E473-Y503 PolarHBondContact N-OH 3.49Å; E473-Y503 VanDerWaalsContact N-OH 3.12Å; L476-Y503 HydrophobicContact CD1-CE1 4.21Å; L476-Y503 HydrophobicContact CD1-CE2 4.46Å; L476-Y503 WeakPolarHBondContact CD1-OH 3.49Å
504	A	96.3	Very high	96.1	Very high	14 Å²	14	54 Å²	54	12%	0.116	30%	0.304	C	S	.	.			trans	-145.5	165.9	172.7	0	0	0	0	0	110.9	C464 F465 M513	C464-A504 PolarHBondContact O-N 3.31Å; F465-A504 WeakPolarHBondContact CA-O 3.37Å; F465-A504 HydrophobicContact CD1-CB 3.99Å; F465-A504 HydrophobicContact CE1-CB 3.69Å; F465-A504 HydrophobicContact CE2-CB 4.46Å; F465-A504 HydrophobicContact CZ-CB 3.93Å; A504-M513 HydrophobicContact CB-CE 3.56Å
505	Q	92.2	Very high	96.1	Very high	155 Å²	155	59.4 Å²	59.4	72%	0.724	32%	0.324	S	S	*	.			trans	-139.7	150.6	177.3	-64.6	-171.7	2.2	0	0	110.3	S509	Q505-S509 WeakPolarHBondContact O-CB 3.48Å; Q505-S509 PolarHBondContact O-OG 3.14Å
506	G	90.4	Very high	96.3	Very high	42 Å²	42	59.9 Å²	59.9	43%	0.433	33%	0.326	S	S	.	.	S	Bend	trans	74.7	164.6	-179.8	0	0	0	0	0	114	F465 S509	F465-G506 WeakPolarHBondContact CE1-O 3.4Å; G506-S509 PolarHBondContact O-OG 3.23Å
507	A	93.3	Very high	96.5	Very high	23 Å²	23	58 Å²	58	19%	0.19	31%	0.307	C	S	.	.	S	Bend	trans	-74.1	-33.8	175.2	0	0	0	0	0	111.2	S509 V510 V537 E540	A507-S509 PolarHBondContact O-N 3.29Å; A507-S509 VanDerWaalsContact O-N 3.08Å; A507-V510 VanDerWaalsContact O-CB 3.29Å; A507-V510 WeakPolarHBondContact O-CB 3.44Å; A507-V510 VanDerWaalsContact O-CG2 3.22Å; A507-V510 WeakPolarHBondContact O-CG2 3.4Å; A507-V510 PolarHBondContact O-N 3.36Å; A507-V537 HydrophobicContact CB-CG2 4.48Å; A507-E540 HydrophobicContact CB-CB 4.09Å; A507-E540 HydrophobicContact CB-CG 4.13Å
508	D	93.5	Very high	96.5	Very high	149 Å²	149	56.4 Å²	56.4	80%	0.797	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.3	-174.7	-48.8	-44.2	0	0	0	113.9	P512	D508-P512 WeakPolarHBondContact O-CD 3.23Å; D508-P512 WeakPolarHBondContact O-CG 3.46Å
509	S	96.1	Very high	96.5	Very high	33 Å²	33	63.4 Å²	63.4	23%	0.231	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.1	177.6	60.1	0	0	0	0	114	F465 Q505 G506 A507 M513	F465-S509 WeakPolarHBondContact CE1-OG 3.29Å; Q505-S509 WeakPolarHBondContact O-CB 3.48Å; Q505-S509 PolarHBondContact O-OG 3.14Å; G506-S509 PolarHBondContact O-OG 3.23Å; A507-S509 PolarHBondContact O-N 3.29Å; A507-S509 VanDerWaalsContact O-N 3.08Å; S509-M513 WeakPolarHBondContact O-CB 3.27Å; S509-M513 PolarHBondContact O-N 3.36Å
510	V	97.1	Very high	96.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-54.7	-177.6	175.4	0	0	0	0	111.2	F465 A507 M513 F514 V537 E540 V541 V544	F465-V510 HydrophobicContact CE1-CG2 3.7Å; F465-V510 HydrophobicContact CE2-CG2 4.45Å; F465-V510 HydrophobicContact CZ-CB 4.4Å; F465-V510 HydrophobicContact CZ-CG2 3.53Å; A507-V510 VanDerWaalsContact O-CB 3.29Å; A507-V510 WeakPolarHBondContact O-CB 3.44Å; A507-V510 VanDerWaalsContact O-CG2 3.22Å; A507-V510 WeakPolarHBondContact O-CG2 3.4Å; A507-V510 PolarHBondContact O-N 3.36Å; V510-M513 PolarHBondContact O-N 2.99Å; V510-F514 HydrophobicContact CG1-CD1 4.47Å; V510-F514 HydrophobicContact CG1-CD2 4.41Å; V510-F514 HydrophobicContact CG1-CE1 4.41Å; V510-F514 HydrophobicContact CG1-CE2 4.31Å; V510-F514 HydrophobicContact CG1-CG 4.48Å; V510-F514 HydrophobicContact CG1-CZ 4.33Å; V510-F514 WeakPolarHBondContact O-CB 3.18Å; V510-F514 WeakPolarHBondContact O-CD1 3.41Å; V510-F514 PolarHBondContact O-N 3.48Å; V510-V537 HydrophobicContact CG2-CG1 3.93Å; V510-E540 HydrophobicContact CB-CG 3.77Å; V510-E540 HydrophobicContact CG1-CG 4.09Å; V510-E540 HydrophobicContact CG2-CB 4.46Å; V510-E540 HydrophobicContact CG2-CG 3.94Å; V510-V541 HydrophobicContact CG1-CB 4.43Å; V510-V541 HydrophobicContact CG1-CG2 3.83Å; V510-V541 HydrophobicContact CG2-CG2 3.91Å; V510-V544 HydrophobicContact CG1-CB 4.13Å; V510-V544 HydrophobicContact CG1-CG2 4.02Å
511	E	97.3	Very high	96.5	Very high	36 Å²	36	65.8 Å²	65.8	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-47.5	-174.9	-175.8	162.5	-177.5	0	0	113.1	M513 F514 R515 R543 V544	E511-M513 VanDerWaalsContact C-N 3.35Å; E511-M513 PolarHBondContact O-N 3.24Å; E511-F514 PolarHBondContact O-N 3.48Å; E511-R515 HydrophobicContact CG-CG 4.47Å; E511-R515 WeakPolarHBondContact O-CG 3.32Å; E511-R515 PolarHBondContact O-N 3.23Å; E511-R515 IonicContact OE1-CZ 3.41Å; E511-R515 IonicContact OE1-NE 3.49Å; E511-R515 PolarHBondContact OE1-NE 3.45Å; E511-R515 IonicContact OE1-NH2 3.92Å; E511-R515 PolarHBondContact OE1-NH2 2.76Å; E511-R543 IonicContact OE2-CZ 2.74Å; E511-R543 IonicContact OE2-NH1 3.71Å; E511-R543 IonicContact OE2-NH2 2.62Å; E511-R543 PolarHBondContact OE2-NH2 2.85Å; E511-V544 HydrophobicContact CB-CG1 4.31Å; E511-V544 HydrophobicContact CB-CG2 3.76Å; E511-V544 HydrophobicContact CG-CG1 4.33Å; E511-V544 HydrophobicContact CG-CG2 4.24Å
512	P	97.9	Very high	96.4	Very high	80 Å²	80	71.9 Å²	71.9	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-44.4	175.2	-24.3	34.7	0	0	0	112.6	D508 H516	D508-P512 WeakPolarHBondContact O-CD 3.23Å; D508-P512 WeakPolarHBondContact O-CG 3.46Å; P512-H516 PolarHBondContact O-N 2.61Å
513	M	98.1	Very high	96.2	Very high	27 Å²	27	68.6 Å²	68.6	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-44.6	178.8	-179.2	179.6	-70	0	0	111.5	A463 F500 A504 S509 V510 E511 H516 L517	A463-M513 HydrophobicContact CB-SD 3.59Å; A463-M513 VanDerWaalsContact CB-SD 3.59Å; F500-M513 HydrophobicContact CE1-CE 4.4Å; F500-M513 HydrophobicContact CE1-CG 4.33Å; F500-M513 HydrophobicContact CE1-SD 4.03Å; F500-M513 HydrophobicContact CZ-CE 4.39Å; F500-M513 HydrophobicContact CZ-CG 4.36Å; F500-M513 HydrophobicContact CZ-SD 4.44Å; A504-M513 HydrophobicContact CB-CE 3.56Å; S509-M513 WeakPolarHBondContact O-CB 3.27Å; S509-M513 PolarHBondContact O-N 3.36Å; V510-M513 PolarHBondContact O-N 2.99Å; E511-M513 VanDerWaalsContact C-N 3.35Å; E511-M513 PolarHBondContact O-N 3.24Å; M513-H516 WeakPolarHBondContact O-CB 3.41Å; M513-H516 PolarHBondContact O-N 3.17Å; M513-L517 HydrophobicContact CG-CD1 4.18Å; M513-L517 HydrophobicContact CG-CG 4.45Å; M513-L517 WeakPolarHBondContact O-CG 3.25Å; M513-L517 PolarHBondContact O-N 3.42Å
514	F	98.4	Very high	96.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70.4	-36.3	-177.9	-80.3	24	0	0	0	112.2	V510 E511 L517 K518 V527 V529 V541 V544 L549 M551 T553	V510-F514 HydrophobicContact CG1-CD1 4.47Å; V510-F514 HydrophobicContact CG1-CD2 4.41Å; V510-F514 HydrophobicContact CG1-CE1 4.41Å; V510-F514 HydrophobicContact CG1-CE2 4.31Å; V510-F514 HydrophobicContact CG1-CG 4.48Å; V510-F514 HydrophobicContact CG1-CZ 4.33Å; V510-F514 WeakPolarHBondContact O-CB 3.18Å; V510-F514 WeakPolarHBondContact O-CD1 3.41Å; V510-F514 PolarHBondContact O-N 3.48Å; E511-F514 PolarHBondContact O-N 3.48Å; F514-L517 HydrophobicContact CD1-CD1 4.25Å; F514-L517 PolarHBondContact O-N 3.22Å; F514-K518 WeakPolarHBondContact O-CB 3.3Å; F514-K518 PolarHBondContact O-N 3.46Å; F514-V527 HydrophobicContact CE1-CG1 3.91Å; F514-V527 HydrophobicContact CZ-CG1 4.11Å; F514-V529 HydrophobicContact CE1-CG2 4.44Å; F514-V529 HydrophobicContact CZ-CG2 3.92Å; F514-V541 HydrophobicContact CE2-CG1 4.24Å; F514-V541 HydrophobicContact CZ-CG1 4.06Å; F514-V541 HydrophobicContact CZ-CG2 4.39Å; F514-V544 HydrophobicContact CB-CG1 3.83Å; F514-V544 HydrophobicContact CD2-CB 4.3Å; F514-V544 HydrophobicContact CD2-CG1 3.71Å; F514-V544 HydrophobicContact CG-CG1 4.13Å; F514-L549 HydrophobicContact CB-CD1 3.62Å; F514-M551 HydrophobicContact CB-SD 4.12Å; F514-M551 HydrophobicContact CD2-SD 4.45Å; F514-T553 HydrophobicContact CE2-CG2 3.51Å; F514-T553 HydrophobicContact CZ-CG2 3.93Å
515	R	98.1	Very high	96.4	Very high	124 Å²	124	69.4 Å²	69.4	47%	0.468	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-47.8	170.9	-74.5	-177.9	-170.5	165.3	-3.8	110.7	E511 L517 K518 Y519 L549	E511-R515 HydrophobicContact CG-CG 4.47Å; E511-R515 WeakPolarHBondContact O-CG 3.32Å; E511-R515 PolarHBondContact O-N 3.23Å; E511-R515 IonicContact OE1-CZ 3.41Å; E511-R515 IonicContact OE1-NE 3.49Å; E511-R515 PolarHBondContact OE1-NE 3.45Å; E511-R515 IonicContact OE1-NH2 3.92Å; E511-R515 PolarHBondContact OE1-NH2 2.76Å; R515-L517 VanDerWaalsContact C-N 3.33Å; R515-L517 PolarHBondContact O-N 3.45Å; R515-K518 PolarHBondContact O-N 3.41Å; R515-Y519 WeakPolarHBondContact O-CD2 3.41Å; R515-Y519 PolarHBondContact O-N 3.23Å; R515-Y519 VanDerWaalsContact O-N 3.16Å; R515-L549 HydrophobicContact CG-CD1 3.9Å; R515-L549 HydrophobicContact CG-CD2 4Å
516	H	97.9	Very high	96.7	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-57.5	-46.7	175.2	177.5	77.4	0	0	0	111.5	P512 M513 K518 Y519 S520	P512-H516 PolarHBondContact O-N 2.61Å; M513-H516 WeakPolarHBondContact O-CB 3.41Å; M513-H516 PolarHBondContact O-N 3.17Å; H516-K518 PolarHBondContact O-N 3.13Å; H516-Y519 PolarHBondContact O-N 3.3Å; H516-S520 PolarHBondContact CE1-OG 3.29Å; H516-S520 PolarHBondContact ND1-OG 2.98Å; H516-S520 PolarHBondContact NE2-OG 3.18Å; H516-S520 WeakPolarHBondContact O-CB 2.99Å; H516-S520 PolarHBondContact O-N 3.46Å; H516-S520 PolarHBondContact O-OG 3.37Å
517	L	98.1	Very high	97.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-44.2	177.9	-74.7	175.1	0	0	0	112.8	A461 F500 M513 F514 R515 Y519 Y521 L524 V527 M551	A461-L517 HydrophobicContact CB-CD1 4.23Å; A461-L517 HydrophobicContact CB-CD2 3.9Å; F500-L517 HydrophobicContact CB-CD2 3.7Å; F500-L517 HydrophobicContact CD1-CD2 3.66Å; F500-L517 HydrophobicContact CD2-CD2 4.01Å; F500-L517 HydrophobicContact CE1-CD2 4.19Å; F500-L517 HydrophobicContact CG-CD2 3.54Å; M513-L517 HydrophobicContact CG-CD1 4.18Å; M513-L517 HydrophobicContact CG-CG 4.45Å; M513-L517 WeakPolarHBondContact O-CG 3.25Å; M513-L517 PolarHBondContact O-N 3.42Å; F514-L517 HydrophobicContact CD1-CD1 4.25Å; F514-L517 PolarHBondContact O-N 3.22Å; R515-L517 VanDerWaalsContact C-N 3.33Å; R515-L517 PolarHBondContact O-N 3.45Å; L517-Y519 PolarHBondContact O-N 2.66Å; L517-Y521 HydrophobicContact CD2-CD2 3.89Å; L517-Y521 HydrophobicContact CD2-CE2 3.84Å; L517-Y521 PolarHBondContact O-N 3.04Å; L517-L524 HydrophobicContact CB-CD2 3.79Å; L517-V527 HydrophobicContact CD1-CG1 4.1Å; L517-V527 HydrophobicContact CD1-CG2 4Å; L517-M551 HydrophobicContact CB-CE 4.1Å
518	K	97.1	Very high	97.3	Very high	65 Å²	65	59.1 Å²	59.1	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-40.3	-178.9	-173.9	169.8	179.9	173.8	0	112.5	F514 R515 H516 L549 M551	F514-K518 WeakPolarHBondContact O-CB 3.3Å; F514-K518 PolarHBondContact O-N 3.46Å; R515-K518 PolarHBondContact O-N 3.41Å; H516-K518 PolarHBondContact O-N 3.13Å; K518-L549 HydrophobicContact CD-CB 4.22Å; K518-L549 HydrophobicContact CD-CD2 4.48Å; K518-L549 PolarHBondContact NZ-O 3.25Å; K518-M551 HydrophobicContact CB-CE 4.14Å; K518-M551 HydrophobicContact CB-SD 3.84Å; K518-M551 HydrophobicContact CD-CG 4.39Å; K518-M551 HydrophobicContact CD-SD 4.39Å; K518-M551 HydrophobicContact CG-SD 4.44Å
519	Y	96.8	Very high	97.6	Very high	172 Å²	172	52 Å²	52	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-92	-26.7	-174.3	-63.7	-60	0	0	0	113.8	R515 H516 L517	R515-Y519 WeakPolarHBondContact O-CD2 3.41Å; R515-Y519 PolarHBondContact O-N 3.23Å; R515-Y519 VanDerWaalsContact O-N 3.16Å; H516-Y519 PolarHBondContact O-N 3.3Å; L517-Y519 PolarHBondContact O-N 2.66Å
520	S	97.8	Very high	97.7	Very high	62 Å²	62	50.5 Å²	50.5	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-84.1	-29.1	-179.9	-58.8	0	0	0	0	113.6	H516	H516-S520 PolarHBondContact CE1-OG 3.29Å; H516-S520 PolarHBondContact ND1-OG 2.98Å; H516-S520 PolarHBondContact NE2-OG 3.18Å; H516-S520 WeakPolarHBondContact O-CB 2.99Å; H516-S520 PolarHBondContact O-N 3.46Å; H516-S520 PolarHBondContact O-OG 3.37Å
521	Y	97.1	Very high	97.8	Very high	62 Å²	62	50.8 Å²	50.8	24%	0.243	25%	0.254	C	S	.	.	S	Bend	trans	-117.4	93.1	-174	-60.7	-83.5	0	0	0	110.7	C499 F500 L517 G523 L524	C499-Y521 HydrophobicContact CB-CD1 3.72Å; C499-Y521 HydrophobicContact CB-CE1 3.78Å; C499-Y521 VanDerWaalsContact O-CE1 3.3Å; C499-Y521 WeakPolarHBondContact O-CE1 3.45Å; C499-Y521 PolarHBondContact O-OH 2.87Å; C499-Y521 WeakPolarHBondContact SG-CD1 3.14Å; F500-Y521 HydrophobicContact CB-CE2 3.97Å; F500-Y521 HydrophobicContact CD2-CE2 4.1Å; F500-Y521 HydrophobicContact CG-CE2 4.4Å; L517-Y521 HydrophobicContact CD2-CD2 3.89Å; L517-Y521 HydrophobicContact CD2-CE2 3.84Å; L517-Y521 PolarHBondContact O-N 3.04Å; Y521-G523 PolarHBondContact O-N 2.88Å; Y521-L524 WeakPolarHBondContact O-CB 3.21Å; Y521-L524 PolarHBondContact O-N 2.93Å
522	Q	95.4	Very high	97.6	Very high	184 Å²	184	51.8 Å²	51.8	86%	0.86	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	136	175.4	-69.2	-172.5	-12.1	0	0	111	L524	Q522-L524 VanDerWaalsContact C-N 3.29Å; Q522-L524 PolarHBondContact O-N 3.23Å
523	G	94.6	Very high	97.3	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	15	-179.6	0	0	0	0	0	115	Y521 Q525	Y521-G523 PolarHBondContact O-N 2.88Å; G523-Q525 WeakPolarHBondContact O-CG 3.45Å; G523-Q525 PolarHBondContact O-N 3.36Å; G523-Q525 VanDerWaalsContact O-N 3.16Å
524	L	98.1	Very high	96.9	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.178	28%	0.281	C	S	.	.			trans	-54.9	118.1	175.8	178.5	63.6	0	0	0	111.7	V459 A461 L517 Y521 Q522 V527 M551	V459-L524 HydrophobicContact CG1-CB 4.29Å; V459-L524 HydrophobicContact CG1-CD1 4.15Å; A461-L524 HydrophobicContact CB-CD1 4.2Å; L517-L524 HydrophobicContact CB-CD2 3.79Å; Y521-L524 WeakPolarHBondContact O-CB 3.21Å; Y521-L524 PolarHBondContact O-N 2.93Å; Q522-L524 VanDerWaalsContact C-N 3.29Å; Q522-L524 PolarHBondContact O-N 3.23Å; L524-V527 HydrophobicContact CD2-CG2 4.12Å; L524-M551 HydrophobicContact CD2-CE 3.51Å
525	Q	98.5	Very high	96.5	Very high	57 Å²	57	57.9 Å²	57.9	27%	0.266	29%	0.291	S	S	.	.			trans	-93.9	-38.1	-176.2	-65.8	169.5	-82.7	0	0	112.5	E456 V459 G523 A552 L580	E456-Q525 PolarHBondContact O-NE2 3.46Å; V459-Q525 WeakPolarHBondContact O-CB 3.39Å; V459-Q525 PolarHBondContact O-N 3.43Å; G523-Q525 WeakPolarHBondContact O-CG 3.45Å; G523-Q525 PolarHBondContact O-N 3.36Å; G523-Q525 VanDerWaalsContact O-N 3.16Å; Q525-A552 WeakPolarHBondContact O-CB 3.35Å; Q525-L580 HydrophobicContact CB-CD2 4.22Å; Q525-L580 WeakPolarHBondContact O-CD2 3.43Å
526	L	98.7	Very high	96.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.9	-169.5	-178.7	69.4	0	0	0	112.7	W460 A461 V528 A552 Q554 I576 L580	W460-L526 CarbonylContact C-O 3.58Å; W460-L526 VanDerWaalsContact CA-O 3.28Å; W460-L526 WeakPolarHBondContact CA-O 3.21Å; W460-L526 HydrophobicContact CB-CB 4.21Å; A461-L526 PolarHBondContact N-O 2.81Å; L526-V528 HydrophobicContact CD2-CG2 3.78Å; L526-V528 HydrophobicContact CG-CG2 4.18Å; L526-A552 HydrophobicContact CD1-CB 4.43Å; L526-Q554 HydrophobicContact CD1-CB 4.04Å; L526-I576 HydrophobicContact CD2-CD1 4.19Å; L526-I576 HydrophobicContact CD2-CG1 4.21Å; L526-I576 HydrophobicContact CD2-CG2 3.7Å; L526-L580 HydrophobicContact CB-CD2 4.45Å
527	V	98.8	Very high	96	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.9	163.2	-171.1	0	0	0	0	110	A463 F514 L517 L524 V529 M551 A552 T553 Q554	A463-V527 HydrophobicContact CB-CG1 4.26Å; F514-V527 HydrophobicContact CE1-CG1 3.91Å; F514-V527 HydrophobicContact CZ-CG1 4.11Å; L517-V527 HydrophobicContact CD1-CG1 4.1Å; L517-V527 HydrophobicContact CD1-CG2 4Å; L524-V527 HydrophobicContact CD2-CG2 4.12Å; V527-V529 HydrophobicContact CG1-CG2 3.99Å; V527-M551 HydrophobicContact CG2-CE 3.9Å; V527-A552 PolarHBondContact N-O 2.89Å; V527-T553 HydrophobicContact CB-CG2 4.47Å; V527-T553 WeakPolarHBondContact O-CA 3.12Å; V527-Q554 PolarHBondContact O-N 2.94Å
528	V	98.8	Very high	95.9	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.5	171.1	179.7	0	0	0	0	108.6	W460 A461 I462 A463 F479 L526 Q554 V556	W460-V528 HydrophobicContact CE3-CG2 4.22Å; W460-V528 HydrophobicContact CZ3-CG2 4.33Å; A461-V528 PolarHBondContact O-N 3.4Å; I462-V528 WeakPolarHBondContact CA-O 3.36Å; I462-V528 HydrophobicContact CG1-CB 4.38Å; A463-V528 PolarHBondContact N-O 2.88Å; F479-V528 HydrophobicContact CE1-CG1 4.35Å; L526-V528 HydrophobicContact CD2-CG2 3.78Å; L526-V528 HydrophobicContact CG-CG2 4.18Å; V528-Q554 CarbonylContact C-O 3.49Å; V528-Q554 WeakPolarHBondContact CA-O 3.22Å; V528-V556 HydrophobicContact CG1-CG2 4.28Å
529	V	98.8	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.7	-174.5	-173.6	0	0	0	0	110.6	A463 F465 F514 V527 L531 V541 Q554 C555 V556	A463-V529 CarbonylContact O-C 3.58Å; A463-V529 VanDerWaalsContact O-CA 3.32Å; A463-V529 WeakPolarHBondContact O-CA 3.33Å; F465-V529 HydrophobicContact CD2-CG1 3.67Å; F465-V529 HydrophobicContact CE2-CG1 3.88Å; F514-V529 HydrophobicContact CE1-CG2 4.44Å; F514-V529 HydrophobicContact CZ-CG2 3.92Å; V527-V529 HydrophobicContact CG1-CG2 3.99Å; V529-L531 HydrophobicContact CG1-CD2 3.87Å; V529-L531 HydrophobicContact CG1-CG 4.39Å; V529-V541 HydrophobicContact CG1-CG2 4.05Å; V529-V541 HydrophobicContact CG2-CG1 3.99Å; V529-Q554 PolarHBondContact N-O 3.44Å; V529-C555 CarbonylContact O-C 3.54Å; V529-C555 WeakPolarHBondContact O-CA 3.33Å; V529-V556 PolarHBondContact O-N 2.88Å
530	I	98.6	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.8	-178.8	-59.5	168.2	0	0	0	109.4	I462 A463 C464 F465 A466 L476 V556 V558 V561	I462-I530 HydrophobicContact CG2-CD1 3.96Å; A463-I530 PolarHBondContact O-N 3.42Å; C464-I530 HydrophobicContact CB-CB 4.4Å; F465-I530 WeakPolarHBondContact CA-O 3.23Å; F465-I530 WeakPolarHBondContact CB-O 3.45Å; F465-I530 PolarHBondContact N-O 3.38Å; A466-I530 HydrophobicContact CB-CG2 4.25Å; L476-I530 HydrophobicContact CD2-CD1 3.08Å; I530-V556 WeakPolarHBondContact CA-O 3.18Å; I530-V558 HydrophobicContact CG2-CB 4.32Å; I530-V561 HydrophobicContact CD1-CG1 4.24Å; I530-V561 HydrophobicContact CD1-CG2 4.04Å; I530-V561 HydrophobicContact CG1-CG2 4.02Å; I530-V561 HydrophobicContact CG2-CG2 3.94Å
531	L	97.8	Very high	95.8	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.4	-173.3	-60	178.2	0	0	0	111.8	F465 V529 G533 T535 V537 Y538 C555 V556 V558	F465-L531 HydrophobicContact CB-CD2 4.21Å; V529-L531 HydrophobicContact CG1-CD2 3.87Å; V529-L531 HydrophobicContact CG1-CG 4.39Å; L531-G533 PolarHBondContact O-N 2.92Å; L531-G533 VanDerWaalsContact O-N 3.11Å; L531-T535 HydrophobicContact CB-CG2 4.21Å; L531-T535 HydrophobicContact CD1-CG2 4.38Å; L531-T535 HydrophobicContact CD2-CG2 4.13Å; L531-T535 HydrophobicContact CG-CG2 4.48Å; L531-V537 HydrophobicContact CD2-CB 4.19Å; L531-V537 HydrophobicContact CD2-CG1 3.73Å; L531-Y538 HydrophobicContact CD1-CD2 3.9Å; L531-Y538 HydrophobicContact CD1-CG 4.43Å; L531-C555 HydrophobicContact CD1-CB 3.93Å; L531-V556 PolarHBondContact N-O 3.24Å; L531-V558 PolarHBondContact O-N 2.85Å
532	P	94.7	Very high	95.8	Very high	56 Å²	56	39 Å²	39	36%	0.364	22%	0.217	S	C	.	.	S	Bend	trans	-73.2	0.7	-178.9	30.2	-35.7	0	0	0	114.2	A466	A466-P532 HydrophobicContact CB-CB 4.4Å
533	G	92	Very high	95.8	Very high	25 Å²	25	32.9 Å²	32.9	26%	0.258	19%	0.186	S	C	.	.	S	Bend	trans	140	-137.5	-175.8	0	0	0	0	0	111.4	L531	L531-G533 PolarHBondContact O-N 2.92Å; L531-G533 VanDerWaalsContact O-N 3.11Å
534	K	88	Confident	95.9	Very high	178 Å²	178	30 Å²	30	77%	0.774	16%	0.157	S	C	*	.	S	Bend	trans	-78.9	116.8	172.2	-169.9	177.8	-171.9	174.1	0	108.5	D367	D367-K534 IonicContact OD1-NZ 3.87Å; D367-K534 IonicContact OD2-NZ 2.7Å; D367-K534 PolarHBondContact OD2-NZ 2.91Å
535	T	90.5	Very high	95.9	Very high	33 Å²	33	28.4 Å²	28.4	20%	0.202	15%	0.149	C	C	.	.			trans	-149.7	146.7	-173.8	172.8	0	0	0	0	110.1	L531 V537 Y538	L531-T535 HydrophobicContact CB-CG2 4.21Å; L531-T535 HydrophobicContact CD1-CG2 4.38Å; L531-T535 HydrophobicContact CD2-CG2 4.13Å; L531-T535 HydrophobicContact CG-CG2 4.48Å; T535-V537 HydrophobicContact CG2-CB 3.93Å; T535-V537 HydrophobicContact CG2-CG2 4.48Å; T535-V537 PolarHBondContact O-N 3.15Å; T535-V537 WeakPolarHBondContact OG1-CG2 3.21Å; T535-V537 PolarHBondContact OG1-N 3.25Å; T535-Y538 PolarHBondContact O-N 3.48Å
536	P	90.6	Very high	95.9	Very high	92 Å²	92	25.9 Å²	25.9	60%	0.597	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.9	173.1	24.7	-35.2	0	0	0	112.9	Y538 A539 E540	P536-Y538 PolarHBondContact O-N 2.71Å; P536-A539 PolarHBondContact O-N 3.16Å; P536-E540 PolarHBondContact O-N 3.33Å
537	V	95	Very high	95.7	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-52.4	-31.9	177.6	178.8	0	0	0	0	112.5	F465 A507 V510 L531 T535 A539 E540 V541	F465-V537 HydrophobicContact CB-CG1 4.3Å; F465-V537 HydrophobicContact CD1-CG1 3.65Å; F465-V537 HydrophobicContact CD1-CG2 4.27Å; F465-V537 HydrophobicContact CD2-CG1 4.16Å; F465-V537 HydrophobicContact CE1-CG1 3.91Å; F465-V537 HydrophobicContact CE2-CG1 4.41Å; F465-V537 HydrophobicContact CG-CG1 3.78Å; F465-V537 HydrophobicContact CZ-CG1 4.3Å; A507-V537 HydrophobicContact CB-CG2 4.48Å; V510-V537 HydrophobicContact CG2-CG1 3.93Å; L531-V537 HydrophobicContact CD2-CB 4.19Å; L531-V537 HydrophobicContact CD2-CG1 3.73Å; T535-V537 HydrophobicContact CG2-CB 3.93Å; T535-V537 HydrophobicContact CG2-CG2 4.48Å; T535-V537 PolarHBondContact O-N 3.15Å; T535-V537 WeakPolarHBondContact OG1-CG2 3.21Å; T535-V537 PolarHBondContact OG1-N 3.25Å; V537-A539 PolarHBondContact O-N 3.5Å; V537-E540 PolarHBondContact O-N 2.7Å; V537-V541 HydrophobicContact CG1-CG2 3.95Å; V537-V541 WeakPolarHBondContact O-CB 3.41Å; V537-V541 WeakPolarHBondContact O-CG2 3.45Å; V537-V541 PolarHBondContact O-N 2.9Å
538	Y	96.5	Very high	95.6	Very high	63 Å²	63	29.3 Å²	29.3	25%	0.247	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-44.9	177	177.4	-93.1	0	0	0	112.5	L531 T535 P536 E540 K542 C555 Y824	L531-Y538 HydrophobicContact CD1-CD2 3.9Å; L531-Y538 HydrophobicContact CD1-CG 4.43Å; T535-Y538 PolarHBondContact O-N 3.48Å; P536-Y538 PolarHBondContact O-N 2.71Å; Y538-E540 VanDerWaalsContact C-N 3.35Å; Y538-K542 HydrophobicContact CE1-CG 4.1Å; Y538-K542 HydrophobicContact CE2-CG 4.4Å; Y538-K542 WeakPolarHBondContact O-CG 3.41Å; Y538-K542 PolarHBondContact O-N 2.91Å; Y538-C555 HydrophobicContact CD2-CB 4.18Å; Y538-C555 HydrophobicContact CE2-CB 4.21Å; Y538-Y824 AromaticContact CD1-CD1 3.8Å; Y538-Y824 HydrophobicContact CD1-CD1 3.8Å; Y538-Y824 AromaticContact CD1-CE1 3.66Å; Y538-Y824 HydrophobicContact CD1-CE1 3.66Å; Y538-Y824 HydrophobicContact CD1-CE2 4.49Å; Y538-Y824 HydrophobicContact CD1-CG 4.28Å; Y538-Y824 AromaticContact CE1-CD1 3.92Å; Y538-Y824 HydrophobicContact CE1-CD1 3.92Å; Y538-Y824 AromaticContact CE1-CD2 3.91Å; Y538-Y824 HydrophobicContact CE1-CD2 3.91Å; Y538-Y824 AromaticContact CE1-CE1 3.85Å; Y538-Y824 HydrophobicContact CE1-CE1 3.85Å; Y538-Y824 AromaticContact CE1-CE2 3.84Å; Y538-Y824 HydrophobicContact CE1-CE2 3.84Å; Y538-Y824 AromaticContact CE1-CG 3.95Å; Y538-Y824 HydrophobicContact CE1-CG 3.95Å; Y538-Y824 AromaticContact CE1-CZ 3.8Å
539	A	95.3	Very high	95.5	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-45.8	-179.2	0	0	0	0	0	109.9	P536 V537 V541 K542 R543 Y824 V827	P536-A539 PolarHBondContact O-N 3.16Å; V537-A539 PolarHBondContact O-N 3.5Å; A539-V541 PolarHBondContact O-N 3.18Å; A539-K542 CarbonylContact O-C 3.6Å; A539-K542 PolarHBondContact O-N 3.46Å; A539-K542 VanDerWaalsContact O-N 3.09Å; A539-R543 PolarHBondContact O-N 2.93Å; A539-Y824 HydrophobicContact CB-CD1 4.09Å; A539-V827 HydrophobicContact CB-CB 4.1Å; A539-V827 HydrophobicContact CB-CG1 4.27Å; A539-V827 HydrophobicContact CB-CG2 4.33Å
540	E	96	Very high	95.4	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-43.4	180	179.7	59.5	-170.5	0	0	112.6	A507 V510 P536 V537 Y538 K542 R543 V544	A507-E540 HydrophobicContact CB-CB 4.09Å; A507-E540 HydrophobicContact CB-CG 4.13Å; V510-E540 HydrophobicContact CB-CG 3.77Å; V510-E540 HydrophobicContact CG1-CG 4.09Å; V510-E540 HydrophobicContact CG2-CB 4.46Å; V510-E540 HydrophobicContact CG2-CG 3.94Å; P536-E540 PolarHBondContact O-N 3.33Å; V537-E540 PolarHBondContact O-N 2.7Å; Y538-E540 VanDerWaalsContact C-N 3.35Å; E540-K542 PolarHBondContact O-N 3.46Å; E540-R543 PolarHBondContact O-N 2.88Å; E540-R543 VanDerWaalsContact O-N 3.17Å; E540-R543 IonicContact OE1-CZ 3.56Å; E540-R543 IonicContact OE1-NE 2.69Å; E540-R543 IonicContact OE1-NH2 3.24Å; E540-R543 PolarHBondContact OE1-NH2 2.87Å; E540-R543 IonicContact OE2-CZ 3.37Å; E540-R543 IonicContact OE2-NE 3.93Å; E540-R543 PolarHBondContact OE2-NE 2.9Å; E540-R543 IonicContact OE2-NH2 3.88Å; E540-R543 PolarHBondContact OE2-NH2 2.8Å; E540-V544 HydrophobicContact CG-CG2 4.32Å; E540-V544 WeakPolarHBondContact O-CB 3.43Å; E540-V544 WeakPolarHBondContact O-CG2 3.42Å; E540-V544 PolarHBondContact O-N 2.82Å; E540-V544 WeakPolarHBondContact OE1-CG2 3.42Å
541	V	97.8	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.1	-37.8	172.9	165.7	0	0	0	0	111.9	V510 F514 V529 V537 A539 G545 T553	V510-V541 HydrophobicContact CG1-CB 4.43Å; V510-V541 HydrophobicContact CG1-CG2 3.83Å; V510-V541 HydrophobicContact CG2-CG2 3.91Å; F514-V541 HydrophobicContact CE2-CG1 4.24Å; F514-V541 HydrophobicContact CZ-CG1 4.06Å; F514-V541 HydrophobicContact CZ-CG2 4.39Å; V529-V541 HydrophobicContact CG1-CG2 4.05Å; V529-V541 HydrophobicContact CG2-CG1 3.99Å; V537-V541 HydrophobicContact CG1-CG2 3.95Å; V537-V541 WeakPolarHBondContact O-CB 3.41Å; V537-V541 WeakPolarHBondContact O-CG2 3.45Å; V537-V541 PolarHBondContact O-N 2.9Å; A539-V541 PolarHBondContact O-N 3.18Å; V541-G545 WeakPolarHBondContact O-CA 3.34Å; V541-G545 PolarHBondContact O-N 2.94Å; V541-T553 HydrophobicContact CG1-CG2 4.22Å
542	K	97.5	Very high	95.4	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-78.8	-34.6	178.2	-64.9	-48.6	179.1	-173.7	0	113.1	Y538 A539 E540 D546 T553 H825	Y538-K542 HydrophobicContact CE1-CG 4.1Å; Y538-K542 HydrophobicContact CE2-CG 4.4Å; Y538-K542 WeakPolarHBondContact O-CG 3.41Å; Y538-K542 PolarHBondContact O-N 2.91Å; A539-K542 CarbonylContact O-C 3.6Å; A539-K542 PolarHBondContact O-N 3.46Å; A539-K542 VanDerWaalsContact O-N 3.09Å; E540-K542 PolarHBondContact O-N 3.46Å; K542-D546 WeakPolarHBondContact O-CB 3.43Å; K542-D546 PolarHBondContact O-N 3.28Å; K542-T553 PolarHBondContact NZ-O 2.69Å; K542-T553 PolarHBondContact NZ-OG1 3.4Å; K542-H825 PolarHBondContact O-NE2 2.77Å
543	R	95.7	Very high	95.6	Very high	54 Å²	54	30.1 Å²	30.1	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-58.5	171.5	-170.7	-168.7	69.2	80.6	1	109.6	E511 A539 E540 G545 T547 V548 D828	E511-R543 IonicContact OE2-CZ 2.74Å; E511-R543 IonicContact OE2-NH1 3.71Å; E511-R543 IonicContact OE2-NH2 2.62Å; E511-R543 PolarHBondContact OE2-NH2 2.85Å; A539-R543 PolarHBondContact O-N 2.93Å; E540-R543 PolarHBondContact O-N 2.88Å; E540-R543 VanDerWaalsContact O-N 3.17Å; E540-R543 IonicContact OE1-CZ 3.56Å; E540-R543 IonicContact OE1-NE 2.69Å; E540-R543 IonicContact OE1-NH2 3.24Å; E540-R543 PolarHBondContact OE1-NH2 2.87Å; E540-R543 IonicContact OE2-CZ 3.37Å; E540-R543 IonicContact OE2-NE 3.93Å; E540-R543 PolarHBondContact OE2-NE 2.9Å; E540-R543 IonicContact OE2-NH2 3.88Å; E540-R543 PolarHBondContact OE2-NH2 2.8Å; R543-G545 PolarHBondContact O-N 2.97Å; R543-T547 PolarHBondContact O-N 3.43Å; R543-T547 PolarHBondContact O-OG1 2.91Å; R543-V548 VanDerWaalsContact NH1-CG2 3.33Å; R543-V548 PolarHBondContact O-N 3.38Å; R543-D828 WeakPolarHBondContact CD-OD2 3.48Å; R543-D828 IonicContact NE-OD2 3.14Å
544	V	97.1	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-60.3	-47.5	-178.4	178.3	0	0	0	0	111.6	V510 E511 F514 E540 V548 L549	V510-V544 HydrophobicContact CG1-CB 4.13Å; V510-V544 HydrophobicContact CG1-CG2 4.02Å; E511-V544 HydrophobicContact CB-CG1 4.31Å; E511-V544 HydrophobicContact CB-CG2 3.76Å; E511-V544 HydrophobicContact CG-CG1 4.33Å; E511-V544 HydrophobicContact CG-CG2 4.24Å; F514-V544 HydrophobicContact CB-CG1 3.83Å; F514-V544 HydrophobicContact CD2-CB 4.3Å; F514-V544 HydrophobicContact CD2-CG1 3.71Å; F514-V544 HydrophobicContact CG-CG1 4.13Å; E540-V544 HydrophobicContact CG-CG2 4.32Å; E540-V544 WeakPolarHBondContact O-CB 3.43Å; E540-V544 WeakPolarHBondContact O-CG2 3.42Å; E540-V544 PolarHBondContact O-N 2.82Å; E540-V544 WeakPolarHBondContact OE1-CG2 3.42Å; V544-V548 PolarHBondContact O-N 2.95Å; V544-L549 HydrophobicContact CG1-CD1 3.64Å; V544-L549 HydrophobicContact CG1-CG 4.07Å; V544-L549 PolarHBondContact O-N 3.26Å
545	G	97.7	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-66.5	-51.9	-179.2	0	0	0	0	0	113.3	V541 R543 G550 M551	V541-G545 WeakPolarHBondContact O-CA 3.34Å; V541-G545 PolarHBondContact O-N 2.94Å; R543-G545 PolarHBondContact O-N 2.97Å; G545-G550 CarbonylContact O-C 3.58Å; G545-G550 WeakPolarHBondContact O-CA 3.24Å; G545-G550 PolarHBondContact O-N 3.1Å; G545-M551 PolarHBondContact O-N 3.35Å
546	D	97.8	Very high	96.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.119	C	C	.	.	I	π-helix	trans	-85	-34.7	-169.3	-52	-26.6	0	0	0	112.6	K542 R821 H825 H858 T861 Y866	K542-D546 WeakPolarHBondContact O-CB 3.43Å; K542-D546 PolarHBondContact O-N 3.28Å; D546-R821 IonicContact OD1-NH1 2.72Å; D546-R821 WeakPolarHBondContact OD2-CD 3.25Å; D546-R821 IonicContact OD2-CZ 2.59Å; D546-R821 IonicContact OD2-NE 3.62Å; D546-R821 IonicContact OD2-NH1 3.87Å; D546-R821 PolarHBondContact OD2-NH1 2.85Å; D546-H825 IonicContact OD2-CE1 3.8Å; D546-H825 IonicContact OD2-NE2 3.59Å; D546-H825 PolarHBondContact OD2-NE2 2.9Å; D546-H825 VanDerWaalsContact OD2-NE2 3.13Å; D546-H858 PolarHBondContact O-N 2.94Å; D546-T861 HydrophobicContact CB-CG2 4.38Å; D546-T861 WeakPolarHBondContact O-CB 3.21Å; D546-T861 PolarHBondContact O-OG1 3.3Å; D546-Y866 HydrophobicContact CB-CD2 3.93Å; D546-Y866 HydrophobicContact CB-CE2 4.38Å; D546-Y866 WeakPolarHBondContact OD2-CD2 3.49Å
547	T	95.3	Very high	97.1	Very high	27 Å²	27	20 Å²	20	17%	0.166	11%	0.108	C	C	.	.	I	π-helix	trans	-110	-35.8	-170.6	75.4	0	0	0	0	114.4	R543 Q856 I857	R543-T547 PolarHBondContact O-N 3.43Å; R543-T547 PolarHBondContact O-OG1 2.91Å; T547-Q856 WeakPolarHBondContact CB-O 3.36Å; T547-I857 HydrophobicContact CG2-CG2 4.48Å
548	V	95.8	Very high	97.2	Very high	47 Å²	47	20.4 Å²	20.4	29%	0.285	11%	0.11	S	C	.	.	I	π-helix	trans	-89.3	-51.4	-175.5	-174.8	0	0	0	0	112.4	R543 V544 H858	R543-V548 VanDerWaalsContact NH1-CG2 3.33Å; R543-V548 PolarHBondContact O-N 3.38Å; V544-V548 PolarHBondContact O-N 2.95Å; V548-H858 PolarHBondContact O-CD2 3.06Å; V548-H858 VanDerWaalsContact O-CD2 3.26Å
549	L	97.1	Very high	97.2	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.058	12%	0.124	C	C	.	.	I	π-helix	trans	-113.1	-14	-168.7	-61.4	179.8	0	0	0	114.3	F514 R515 K518 V544 M551	F514-L549 HydrophobicContact CB-CD1 3.62Å; R515-L549 HydrophobicContact CG-CD1 3.9Å; R515-L549 HydrophobicContact CG-CD2 4Å; K518-L549 HydrophobicContact CD-CB 4.22Å; K518-L549 HydrophobicContact CD-CD2 4.48Å; K518-L549 PolarHBondContact NZ-O 3.25Å; V544-L549 HydrophobicContact CG1-CD1 3.64Å; V544-L549 HydrophobicContact CG1-CG 4.07Å; V544-L549 PolarHBondContact O-N 3.26Å; L549-M551 HydrophobicContact CB-CG 3.94Å; L549-M551 HydrophobicContact CB-SD 3.91Å; L549-M551 HydrophobicContact CD1-SD 3.93Å
550	G	97.3	Very high	97.3	Very high	19 Å²	19	25.3 Å²	25.3	20%	0.196	14%	0.135	C	C	.	.			trans	63.6	47.7	-179.8	0	0	0	0	0	114	G545 T861	G545-G550 CarbonylContact O-C 3.58Å; G545-G550 WeakPolarHBondContact O-CA 3.24Å; G545-G550 PolarHBondContact O-N 3.1Å; G550-T861 WeakPolarHBondContact CA-OG1 3.49Å
551	M	98.1	Very high	97.4	Very high	21 Å²	21	24.8 Å²	24.8	10%	0.103	13%	0.133	C	C	.	.			trans	-113.6	134	-177.7	-61.5	174.7	73.2	0	0	111.1	F514 L517 K518 L524 V527 G545 L549 T553	F514-M551 HydrophobicContact CB-SD 4.12Å; F514-M551 HydrophobicContact CD2-SD 4.45Å; L517-M551 HydrophobicContact CB-CE 4.1Å; K518-M551 HydrophobicContact CB-CE 4.14Å; K518-M551 HydrophobicContact CB-SD 3.84Å; K518-M551 HydrophobicContact CD-CG 4.39Å; K518-M551 HydrophobicContact CD-SD 4.39Å; K518-M551 HydrophobicContact CG-SD 4.44Å; L524-M551 HydrophobicContact CD2-CE 3.51Å; V527-M551 HydrophobicContact CG2-CE 3.9Å; G545-M551 PolarHBondContact O-N 3.35Å; L549-M551 HydrophobicContact CB-CG 3.94Å; L549-M551 HydrophobicContact CB-SD 3.91Å; L549-M551 HydrophobicContact CD1-SD 3.93Å; M551-T553 PolarHBondContact O-N 2.91Å
552	A	98.4	Very high	97.3	Very high	28 Å²	28	29 Å²	29	23%	0.231	15%	0.152	C	C	.	.			trans	-70.8	124.4	176.4	0	0	0	0	0	111	Q525 L526 V527 L580	Q525-A552 WeakPolarHBondContact O-CB 3.35Å; L526-A552 HydrophobicContact CD1-CB 4.43Å; V527-A552 PolarHBondContact N-O 2.89Å; A552-L580 HydrophobicContact CB-CD2 3.9Å
553	T	98.7	Very high	97.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	-177.7	56.8	0	0	0	0	112.5	F514 V527 V541 K542 M551 K579	F514-T553 HydrophobicContact CE2-CG2 3.51Å; F514-T553 HydrophobicContact CZ-CG2 3.93Å; V527-T553 HydrophobicContact CB-CG2 4.47Å; V527-T553 WeakPolarHBondContact O-CA 3.12Å; V541-T553 HydrophobicContact CG1-CG2 4.22Å; K542-T553 PolarHBondContact NZ-O 2.69Å; K542-T553 PolarHBondContact NZ-OG1 3.4Å; M551-T553 PolarHBondContact O-N 2.91Å; T553-K579 PolarHBondContact O-NZ 2.91Å
554	Q	98.6	Very high	97.3	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	105.7	174.7	-178.5	52.6	56.1	0	0	111.3	L526 V527 V528 V529 L572 K575 I576	L526-Q554 HydrophobicContact CD1-CB 4.04Å; V527-Q554 PolarHBondContact O-N 2.94Å; V528-Q554 CarbonylContact C-O 3.49Å; V528-Q554 WeakPolarHBondContact CA-O 3.22Å; V529-Q554 PolarHBondContact N-O 3.44Å; Q554-L572 VanDerWaalsContact CD-CD1 3.49Å; Q554-L572 HydrophobicContact CG-CD1 3.49Å; Q554-L572 VanDerWaalsContact CG-CD1 3.49Å; Q554-L572 HydrophobicContact CG-CG 4.28Å; Q554-K575 VanDerWaalsContact OE1-CE 3.31Å; Q554-I576 HydrophobicContact CB-CG1 4.18Å; Q554-I576 HydrophobicContact CG-CD1 4.24Å; Q554-I576 HydrophobicContact CG-CG1 3.84Å
555	C	98.5	Very high	97.2	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.128	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.7	178.5	-49.6	0	0	0	0	111.6	V529 L531 Y538	V529-C555 CarbonylContact O-C 3.54Å; V529-C555 WeakPolarHBondContact O-CA 3.33Å; L531-C555 HydrophobicContact CD1-CB 3.93Å; Y538-C555 HydrophobicContact CD2-CB 4.18Å; Y538-C555 HydrophobicContact CE2-CB 4.21Å
556	V	98.3	Very high	97.2	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.7	176.7	-172	0	0	0	0	108.8	F479 V528 V529 I530 L531 N560 V561 L572	F479-V556 HydrophobicContact CE2-CG1 4.49Å; F479-V556 HydrophobicContact CZ-CG2 4.37Å; V528-V556 HydrophobicContact CG1-CG2 4.28Å; V529-V556 PolarHBondContact O-N 2.88Å; I530-V556 WeakPolarHBondContact CA-O 3.18Å; L531-V556 PolarHBondContact N-O 3.24Å; V556-N560 HydrophobicContact CG1-CB 4.02Å; V556-V561 HydrophobicContact CB-CG2 4.35Å; V556-V561 HydrophobicContact CG1-CG2 3.83Å; V556-L572 HydrophobicContact CG2-CD1 3.96Å; V556-L572 HydrophobicContact CG2-CD2 3.76Å
557	Q	97.4	Very high	97	Very high	77 Å²	77	48.2 Å²	48.2	36%	0.36	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.7	174.1	-70.1	-171.5	-26.6	0	0	110.6	K559 N560 V561	Q557-K559 HydrophobicContact CB-CG 4.17Å; Q557-K559 PolarHBondContact O-N 3.3Å; Q557-K559 VanDerWaalsContact O-N 3.13Å; Q557-N560 WeakPolarHBondContact O-CB 3.38Å; Q557-N560 PolarHBondContact O-N 2.97Å; Q557-V561 PolarHBondContact O-N 3.45Å
558	V	97.4	Very high	97	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-52.7	-38.2	-178.4	68.4	0	0	0	0	112.9	A466 C471 I530 L531 N560 V561 Q562	A466-V558 HydrophobicContact CB-CB 3.98Å; A466-V558 HydrophobicContact CB-CG2 3.76Å; C471-V558 HydrophobicContact CB-CG2 3.66Å; I530-V558 HydrophobicContact CG2-CB 4.32Å; L531-V558 PolarHBondContact O-N 2.85Å; V558-N560 PolarHBondContact O-N 3.33Å; V558-V561 WeakPolarHBondContact O-CA 3.36Å; V558-V561 WeakPolarHBondContact O-CB 3.19Å; V558-V561 PolarHBondContact O-N 2.84Å; V558-Q562 HydrophobicContact CG2-CG 4.22Å; V558-Q562 WeakPolarHBondContact O-CG 3.47Å; V558-Q562 PolarHBondContact O-N 2.87Å
559	K	96.4	Very high	97.1	Very high	120 Å²	120	47.4 Å²	47.4	52%	0.522	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-31.4	177.4	71.2	-177.3	-170.7	-167.2	0	113.7	Q557 K563	Q557-K559 HydrophobicContact CB-CG 4.17Å; Q557-K559 PolarHBondContact O-N 3.3Å; Q557-K559 VanDerWaalsContact O-N 3.13Å; K559-K563 PolarHBondContact O-N 2.79Å
560	N	97.1	Very high	97.1	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-85.5	-12.1	178.7	-62.8	-19.1	0	0	0	112.3	V556 Q557 V558 T568	V556-N560 HydrophobicContact CG1-CB 4.02Å; Q557-N560 WeakPolarHBondContact O-CB 3.38Å; Q557-N560 PolarHBondContact O-N 2.97Å; V558-N560 PolarHBondContact O-N 3.33Å; N560-T568 HydrophobicContact CB-CG2 4.35Å
561	V	97.5	Very high	97.1	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-86.8	-44.9	170	179.1	0	0	0	0	109.3	L476 F479 I530 V556 Q557 V558	L476-V561 HydrophobicContact CD2-CG1 4.27Å; F479-V561 HydrophobicContact CB-CG1 3.71Å; F479-V561 HydrophobicContact CD1-CG1 4.4Å; F479-V561 HydrophobicContact CD2-CB 4.37Å; F479-V561 HydrophobicContact CD2-CG1 4.28Å; F479-V561 HydrophobicContact CD2-CG2 4.21Å; F479-V561 HydrophobicContact CE2-CG2 4.35Å; F479-V561 HydrophobicContact CG-CB 4.45Å; F479-V561 HydrophobicContact CG-CG1 3.88Å; F479-V561 HydrophobicContact CG-CG2 4.41Å; I530-V561 HydrophobicContact CD1-CG1 4.24Å; I530-V561 HydrophobicContact CD1-CG2 4.04Å; I530-V561 HydrophobicContact CG1-CG2 4.02Å; I530-V561 HydrophobicContact CG2-CG2 3.94Å; V556-V561 HydrophobicContact CB-CG2 4.35Å; V556-V561 HydrophobicContact CG1-CG2 3.83Å; Q557-V561 PolarHBondContact O-N 3.45Å; V558-V561 WeakPolarHBondContact O-CA 3.36Å; V558-V561 WeakPolarHBondContact O-CB 3.19Å; V558-V561 PolarHBondContact O-N 2.84Å
562	Q	95.9	Very high	97.1	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-45.3	175.1	-72.2	171.3	-33.1	0	0	112	Q470 L475 V558	Q470-Q562 PolarHBondContact O-NE2 3.5Å; L475-Q562 HydrophobicContact CD1-CG 4.01Å; V558-Q562 HydrophobicContact CG2-CG 4.22Å; V558-Q562 WeakPolarHBondContact O-CG 3.47Å; V558-Q562 PolarHBondContact O-N 2.87Å
563	K	96	Very high	97.1	Very high	166 Å²	166	47.9 Å²	47.9	72%	0.722	25%	0.248	S	C	*	.	S	Bend	trans	-124.3	92.9	178.6	-169.2	172.6	-176.8	173.4	0	110.1	K559	K559-K563 PolarHBondContact O-N 2.79Å
564	T	96.3	Very high	97.1	Very high	44 Å²	44	47.9 Å²	47.9	27%	0.27	25%	0.248	S	C	.	.			trans	-79.1	147.1	176.8	61.1	0	0	0	0	111	F479 L569	F479-T564 HydrophobicContact CB-CG2 4.33Å; F479-T564 HydrophobicContact CD2-CG2 3.75Å; T564-L569 HydrophobicContact CG2-CD1 4.46Å; T564-L569 HydrophobicContact CG2-CD2 4.4Å
565	T	96.9	Very high	97	Very high	55 Å²	55	48.9 Å²	48.9	34%	0.337	25%	0.252	S	S	.	.			trans	-132.9	145.1	167.7	69	0	0	0	0	109	Q567 T568 L569	T565-Q567 PolarHBondContact O-N 3.17Å; T565-T568 PolarHBondContact O-N 3.21Å; T565-T568 VanDerWaalsContact O-N 3.1Å; T565-T568 WeakPolarHBondContact OG1-CB 3.4Å; T565-T568 PolarHBondContact OG1-N 3.12Å; T565-T568 PolarHBondContact OG1-OG1 3.24Å; T565-L569 WeakPolarHBondContact O-CG 3.42Å; T565-L569 PolarHBondContact O-N 2.83Å
566	P	96.1	Very high	97.1	Very high	91 Å²	91	48 Å²	48	59%	0.591	25%	0.246	S	C	*	.	H	α-helix	trans	-54.7	-38.8	179.3	-28.3	35.5	0	0	0	112.9	I486 L569 S570	I486-P566 HydrophobicContact CD1-CB 4.16Å; P566-L569 PolarHBondContact O-N 3.47Å; P566-S570 VanDerWaalsContact O-CB 3.23Å; P566-S570 WeakPolarHBondContact O-CB 3.27Å; P566-S570 PolarHBondContact O-N 2.95Å
567	Q	93.4	Very high	97.1	Very high	108 Å²	108	47.5 Å²	47.5	51%	0.505	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-44	177.6	-175.4	62.2	55.7	0	0	112.7	T565 N571	T565-Q567 PolarHBondContact O-N 3.17Å; Q567-N571 PolarHBondContact NE2-ND2 2.8Å; Q567-N571 PolarHBondContact NE2-OD1 2.86Å; Q567-N571 WeakPolarHBondContact O-CB 3.37Å; Q567-N571 VanDerWaalsContact O-CG 3.31Å; Q567-N571 PolarHBondContact O-N 3.26Å; Q567-N571 PolarHBondContact O-ND2 3.3Å
568	T	95.3	Very high	97.1	Very high	54 Å²	54	44 Å²	44	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-66.3	-42.4	178.4	-65.9	0	0	0	0	111	N560 T565 N571 L572	N560-T568 HydrophobicContact CB-CG2 4.35Å; T565-T568 PolarHBondContact O-N 3.21Å; T565-T568 VanDerWaalsContact O-N 3.1Å; T565-T568 WeakPolarHBondContact OG1-CB 3.4Å; T565-T568 PolarHBondContact OG1-N 3.12Å; T565-T568 PolarHBondContact OG1-OG1 3.24Å; T568-N571 PolarHBondContact O-N 2.9Å; T568-L572 WeakPolarHBondContact O-CB 3.07Å; T568-L572 PolarHBondContact O-N 3.13Å
569	L	97.8	Very high	97.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-40.3	177.6	-64.4	179.4	0	0	0	111.9	F479 Q482 L483 I486 T564 T565 P566 L572 C573	F479-L569 HydrophobicContact CD2-CD2 4.09Å; F479-L569 HydrophobicContact CE2-CD2 3.65Å; Q482-L569 HydrophobicContact CB-CD1 3.63Å; L483-L569 HydrophobicContact CB-CD2 4.47Å; L483-L569 HydrophobicContact CD1-CD2 4.29Å; I486-L569 HydrophobicContact CB-CB 4.32Å; I486-L569 HydrophobicContact CG1-CB 4.2Å; I486-L569 HydrophobicContact CG1-CD1 4.23Å; I486-L569 HydrophobicContact CG2-CB 4.2Å; T564-L569 HydrophobicContact CG2-CD1 4.46Å; T564-L569 HydrophobicContact CG2-CD2 4.4Å; T565-L569 WeakPolarHBondContact O-CG 3.42Å; T565-L569 PolarHBondContact O-N 2.83Å; P566-L569 PolarHBondContact O-N 3.47Å; L569-L572 WeakPolarHBondContact O-CA 3.19Å; L569-L572 VanDerWaalsContact O-CB 3.28Å; L569-L572 WeakPolarHBondContact O-CB 3.35Å; L569-L572 PolarHBondContact O-N 2.92Å; L569-L572 VanDerWaalsContact O-N 3.08Å; L569-C573 PolarHBondContact O-N 2.62Å; L569-C573 PolarHBondContact O-SG 3.36Å; L569-C573 VanDerWaalsContact O-SG 3.36Å
570	S	97.5	Very high	97.2	Very high	22 Å²	22	40 Å²	40	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-47.2	174.5	178.5	0	0	0	0	111.1	P566 L572 C573 L574	P566-S570 VanDerWaalsContact O-CB 3.23Å; P566-S570 WeakPolarHBondContact O-CB 3.27Å; P566-S570 PolarHBondContact O-N 2.95Å; S570-L572 PolarHBondContact O-N 3.48Å; S570-C573 WeakPolarHBondContact O-CB 3.46Å; S570-C573 PolarHBondContact O-N 3.36Å; S570-C573 VanDerWaalsContact O-N 3.12Å; S570-L574 WeakPolarHBondContact O-CG 3.14Å; S570-L574 PolarHBondContact O-N 2.81Å
571	N	96.8	Very high	97.2	Very high	52 Å²	52	38.5 Å²	38.5	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-28.3	173.9	-72.9	-16.5	0	0	0	113.1	Q567 T568 L574	Q567-N571 PolarHBondContact NE2-ND2 2.8Å; Q567-N571 PolarHBondContact NE2-OD1 2.86Å; Q567-N571 WeakPolarHBondContact O-CB 3.37Å; Q567-N571 VanDerWaalsContact O-CG 3.31Å; Q567-N571 PolarHBondContact O-N 3.26Å; Q567-N571 PolarHBondContact O-ND2 3.3Å; T568-N571 PolarHBondContact O-N 2.9Å; N571-L574 WeakPolarHBondContact O-CB 3.16Å
572	L	98.1	Very high	97.2	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-70.2	-45	173.1	-169.9	64.1	0	0	0	110.8	F479 L483 Q554 V556 T568 L569 S570 L574 K575 I576	F479-L572 HydrophobicContact CE2-CD2 4.37Å; F479-L572 HydrophobicContact CZ-CD2 4.03Å; L483-L572 HydrophobicContact CD1-CD2 4.13Å; L483-L572 HydrophobicContact CD2-CD2 4.44Å; Q554-L572 VanDerWaalsContact CD-CD1 3.49Å; Q554-L572 HydrophobicContact CG-CD1 3.49Å; Q554-L572 VanDerWaalsContact CG-CD1 3.49Å; Q554-L572 HydrophobicContact CG-CG 4.28Å; V556-L572 HydrophobicContact CG2-CD1 3.96Å; V556-L572 HydrophobicContact CG2-CD2 3.76Å; T568-L572 WeakPolarHBondContact O-CB 3.07Å; T568-L572 PolarHBondContact O-N 3.13Å; L569-L572 WeakPolarHBondContact O-CA 3.19Å; L569-L572 VanDerWaalsContact O-CB 3.28Å; L569-L572 WeakPolarHBondContact O-CB 3.35Å; L569-L572 PolarHBondContact O-N 2.92Å; L569-L572 VanDerWaalsContact O-N 3.08Å; S570-L572 PolarHBondContact O-N 3.48Å; L572-L574 VanDerWaalsContact C-N 3.3Å; L572-L574 PolarHBondContact O-N 2.8Å; L572-K575 PolarHBondContact O-N 2.75Å; L572-K575 VanDerWaalsContact O-N 3.11Å; L572-I576 HydrophobicContact CG-CD1 3.99Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 3.37Å
573	C	98.6	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-39.3	175	-66.8	0	0	0	0	112.2	F451 M492 L569 S570 K575 I576 N577	F451-C573 HydrophobicContact CE2-CB 4.39Å; F451-C573 HydrophobicContact CZ-CB 4.25Å; M492-C573 HydrophobicContact CE-CB 3.91Å; L569-C573 PolarHBondContact O-N 2.62Å; L569-C573 PolarHBondContact O-SG 3.36Å; L569-C573 VanDerWaalsContact O-SG 3.36Å; S570-C573 WeakPolarHBondContact O-CB 3.46Å; S570-C573 PolarHBondContact O-N 3.36Å; S570-C573 VanDerWaalsContact O-N 3.12Å; C573-K575 PolarHBondContact O-N 2.6Å; C573-I576 PolarHBondContact O-N 2.81Å; C573-N577 WeakPolarHBondContact O-CB 3.47Å; C573-N577 PolarHBondContact O-N 2.85Å
574	L	98.4	Very high	97.5	Very high	2 Å²	2	27 Å²	27	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-51	-44.2	173.8	-66.3	-175	0	0	0	112.1	M446 F451 S570 N571 L572 V578 N584 V800	M446-L574 HydrophobicContact SD-CD2 3.31Å; M446-L574 WeakPolarHBondContact SD-CD2 3.3Å; M446-L574 HydrophobicContact SD-CG 4.48Å; F451-L574 HydrophobicContact CE1-CD2 3.56Å; F451-L574 HydrophobicContact CZ-CD2 4.01Å; S570-L574 WeakPolarHBondContact O-CG 3.14Å; S570-L574 PolarHBondContact O-N 2.81Å; N571-L574 WeakPolarHBondContact O-CB 3.16Å; L572-L574 VanDerWaalsContact C-N 3.3Å; L572-L574 PolarHBondContact O-N 2.8Å; L574-V578 VanDerWaalsContact O-CG2 3.26Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; L574-N584 PolarHBondContact O-ND2 3.31Å; L574-V800 WeakPolarHBondContact CB-O 3.49Å
575	K	98.4	Very high	97.6	Very high	30 Å²	30	25.3 Å²	25.3	13%	0.13	15%	0.146	C	C	.	.	H	α-helix	trans	-76.6	-38.9	-178.1	-65	165.9	56.4	71.6	0	111.9	Q554 L572 C573 K579 R801 A868	Q554-K575 VanDerWaalsContact OE1-CE 3.31Å; L572-K575 PolarHBondContact O-N 2.75Å; L572-K575 VanDerWaalsContact O-N 3.11Å; C573-K575 PolarHBondContact O-N 2.6Å; K575-K579 VanDerWaalsContact O-CG 3.32Å; K575-K579 WeakPolarHBondContact O-CG 3.37Å; K575-K579 PolarHBondContact O-N 3.4Å; K575-K579 VanDerWaalsContact O-N 3.14Å; K575-R801 HydrophobicContact CG-CG 4.31Å; K575-A868 PolarHBondContact NZ-O 3.45Å; K575-A868 PolarHBondContact NZ-OXT 3.49Å
576	I	98.8	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-50.6	-179.9	-67.9	168.6	0	0	0	109.9	I457 M492 L526 Q554 L572 C573 V578 K579 L580	I457-I576 HydrophobicContact CD1-CG2 3.58Å; M492-I576 HydrophobicContact CE-CB 4.09Å; M492-I576 HydrophobicContact CE-CG2 3.88Å; M492-I576 HydrophobicContact SD-CB 4.03Å; M492-I576 HydrophobicContact SD-CG2 3.71Å; L526-I576 HydrophobicContact CD2-CD1 4.19Å; L526-I576 HydrophobicContact CD2-CG1 4.21Å; L526-I576 HydrophobicContact CD2-CG2 3.7Å; Q554-I576 HydrophobicContact CB-CG1 4.18Å; Q554-I576 HydrophobicContact CG-CD1 4.24Å; Q554-I576 HydrophobicContact CG-CG1 3.84Å; L572-I576 HydrophobicContact CG-CD1 3.99Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 3.37Å; C573-I576 PolarHBondContact O-N 2.81Å; I576-V578 VanDerWaalsContact C-N 3.29Å; I576-V578 PolarHBondContact O-N 3.09Å; I576-K579 PolarHBondContact O-N 2.81Å; I576-K579 VanDerWaalsContact O-N 3.14Å; I576-L580 HydrophobicContact CG2-CD1 3.93Å; I576-L580 HydrophobicContact CG2-CG 4.46Å; I576-L580 WeakPolarHBondContact O-CG 3.47Å; I576-L580 PolarHBondContact O-N 2.99Å; I576-L580 VanDerWaalsContact O-N 3.14Å
577	N	98.8	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-54.5	-47.7	-177.4	-170.1	51.7	0	0	0	111.5	F451 T453 G454 I455 M492 C573 L580 G581 G582 N584	F451-N577 HydrophobicContact CD2-CB 4.07Å; F451-N577 HydrophobicContact CE2-CB 3.79Å; F451-N577 HydrophobicContact CZ-CB 4.13Å; T453-N577 PolarHBondContact O-ND2 3.45Å; G454-N577 WeakPolarHBondContact CA-OD1 3.43Å; I455-N577 PolarHBondContact N-OD1 2.86Å; M492-N577 HydrophobicContact CG-CB 4.37Å; M492-N577 VanDerWaalsContact SD-CA 3.57Å; M492-N577 HydrophobicContact SD-CB 3.6Å; M492-N577 VanDerWaalsContact SD-CB 3.6Å; M492-N577 PolarHBondContact SD-N 3.38Å; M492-N577 VanDerWaalsContact SD-N 3.43Å; C573-N577 WeakPolarHBondContact O-CB 3.47Å; C573-N577 PolarHBondContact O-N 2.85Å; N577-L580 CarbonylContact O-C 3.59Å; N577-L580 PolarHBondContact O-N 3.43Å; N577-G581 PolarHBondContact O-N 3.04Å; N577-G582 WeakPolarHBondContact O-CA 3.28Å; N577-G582 PolarHBondContact O-N 3.45Å; N577-N584 WeakPolarHBondContact CB-OD1 3.28Å; N577-N584 PolarHBondContact ND2-OD1 3.45Å
578	V	98.2	Very high	97.9	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.024	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-42.2	179.7	169.9	0	0	0	0	112.7	L574 I576 L580 G581 N584 V800 M865 A868	L574-V578 VanDerWaalsContact O-CG2 3.26Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; I576-V578 VanDerWaalsContact C-N 3.29Å; I576-V578 PolarHBondContact O-N 3.09Å; V578-L580 PolarHBondContact O-N 3.12Å; V578-G581 PolarHBondContact O-N 3.28Å; V578-N584 WeakPolarHBondContact CG2-ND2 3.37Å; V578-V800 HydrophobicContact CB-CG2 4.36Å; V578-V800 HydrophobicContact CG1-CG2 3.97Å; V578-V800 HydrophobicContact CG2-CB 3.67Å; V578-V800 HydrophobicContact CG2-CG1 4.03Å; V578-V800 HydrophobicContact CG2-CG2 3.75Å; V578-M865 HydrophobicContact CG1-CB 3.53Å; V578-M865 HydrophobicContact CG1-CE 4.01Å; V578-M865 HydrophobicContact CG1-CG 4.11Å; V578-M865 HydrophobicContact CG1-SD 3.57Å; V578-M865 VanDerWaalsContact CG1-SD 3.57Å; V578-A868 HydrophobicContact CG1-CB 3.94Å
579	K	98.3	Very high	97.9	Very high	15 Å²	15	14.9 Å²	14.9	7%	0.065	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-30	177.9	-79.2	175.1	177	175.3	0	112.7	T553 K575 I576 G581 A868	T553-K579 PolarHBondContact O-NZ 2.91Å; K575-K579 VanDerWaalsContact O-CG 3.32Å; K575-K579 WeakPolarHBondContact O-CG 3.37Å; K575-K579 PolarHBondContact O-N 3.4Å; K575-K579 VanDerWaalsContact O-N 3.14Å; I576-K579 PolarHBondContact O-N 2.81Å; I576-K579 VanDerWaalsContact O-N 3.14Å; K579-G581 VanDerWaalsContact C-N 3.29Å; K579-A868 WeakPolarHBondContact CE-O 3.46Å; K579-A868 HydrophobicContact CG-CB 4.46Å; K579-A868 PolarHBondContact NZ-O 3.12Å
580	L	98	Very high	97.7	Very high	35 Å²	35	21.8 Å²	21.8	18%	0.183	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6.6	177	-57.1	-179.2	0	0	0	113	I455 I457 Q525 L526 A552 I576 N577 V578	I455-L580 HydrophobicContact CB-CB 4.22Å; I455-L580 HydrophobicContact CG1-CB 4.02Å; I455-L580 HydrophobicContact CG2-CB 3.95Å; I455-L580 HydrophobicContact CG2-CD1 4.21Å; I457-L580 HydrophobicContact CD1-CD1 3.58Å; I457-L580 HydrophobicContact CG1-CD1 3.59Å; Q525-L580 HydrophobicContact CB-CD2 4.22Å; Q525-L580 WeakPolarHBondContact O-CD2 3.43Å; L526-L580 HydrophobicContact CB-CD2 4.45Å; A552-L580 HydrophobicContact CB-CD2 3.9Å; I576-L580 HydrophobicContact CG2-CD1 3.93Å; I576-L580 HydrophobicContact CG2-CG 4.46Å; I576-L580 WeakPolarHBondContact O-CG 3.47Å; I576-L580 PolarHBondContact O-N 2.99Å; I576-L580 VanDerWaalsContact O-N 3.14Å; N577-L580 CarbonylContact O-C 3.59Å; N577-L580 PolarHBondContact O-N 3.43Å; V578-L580 PolarHBondContact O-N 3.12Å
581	G	96.3	Very high	97.4	Very high	19 Å²	19	22.8 Å²	22.8	20%	0.196	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	5.9	174.2	0	0	0	0	0	115.5	N577 V578 K579 R633	N577-G581 PolarHBondContact O-N 3.04Å; V578-G581 PolarHBondContact O-N 3.28Å; K579-G581 VanDerWaalsContact C-N 3.29Å; G581-R633 PolarHBondContact O-NH1 3.21Å
582	G	97.8	Very high	97.3	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.031	13%	0.131	C	C	.	.			trans	-72.5	166.1	175.5	0	0	0	0	0	113.6	T453 N577	T453-G582 CarbonylContact O-C 3.52Å; T453-G582 VanDerWaalsContact O-CA 3.28Å; T453-G582 WeakPolarHBondContact O-CA 3.46Å; N577-G582 WeakPolarHBondContact O-CA 3.28Å; N577-G582 PolarHBondContact O-N 3.45Å
583	V	98.6	Very high	97.2	Very high	12 Å²	12	23.4 Å²	23.4	7%	0.073	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-116	116.2	177.4	179	0	0	0	0	108.1	H452 T453 I586 R633	H452-V583 HydrophobicContact CB-CB 4.43Å; H452-V583 HydrophobicContact CB-CG1 4.04Å; H452-V583 PolarHBondContact N-O 3.18Å; T453-V583 PolarHBondContact N-O 3.46Å; T453-V583 PolarHBondContact O-N 2.83Å; V583-I586 HydrophobicContact CG1-CG2 3.65Å; V583-R633 HydrophobicContact CG2-CG 4.25Å
584	N	98.3	Very high	97	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.161	C	C	.	.			trans	-69.4	-50.2	-175.8	-71.2	-7	0	0	0	111.6	F451 H452 L574 N577 V578 V800	F451-N584 VanDerWaalsContact CA-O 3.28Å; F451-N584 WeakPolarHBondContact CA-O 3.48Å; F451-N584 VanDerWaalsContact CD1-CA 3.46Å; F451-N584 HydrophobicContact CD1-CB 3.75Å; F451-N584 HydrophobicContact CE1-CB 3.89Å; F451-N584 WeakPolarHBondContact CE1-OD1 3.39Å; H452-N584 PolarHBondContact N-O 3.08Å; L574-N584 PolarHBondContact O-ND2 3.31Å; N577-N584 WeakPolarHBondContact CB-OD1 3.28Å; N577-N584 PolarHBondContact ND2-OD1 3.45Å; V578-N584 WeakPolarHBondContact CG2-ND2 3.37Å; N584-V800 PolarHBondContact ND2-O 2.88Å; N584-V800 VanDerWaalsContact ND2-O 3.09Å
585	N	98.3	Very high	96.9	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.053	16%	0.161	C	C	.	.			trans	-161	170	178.2	53.3	56.5	0	0	0	108.7	I427 L428 Y429 S632	I427-N585 HydrophobicContact CG2-CB 3.53Å; I427-N585 VanDerWaalsContact CG2-CG 3.46Å; L428-N585 WeakPolarHBondContact O-CA 2.95Å; L428-N585 WeakPolarHBondContact O-CB 3.37Å; Y429-N585 HydrophobicContact CD1-CB 4.1Å; Y429-N585 HydrophobicContact CD2-CB 4.33Å; Y429-N585 HydrophobicContact CE1-CB 3.94Å; Y429-N585 HydrophobicContact CE2-CB 4.16Å; Y429-N585 HydrophobicContact CG-CB 4.31Å; Y429-N585 PolarHBondContact OH-ND2 2.89Å; N585-S632 PolarHBondContact O-OG 3.4Å
586	I	98.6	Very high	96.8	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.9	176.5	67.7	171.2	0	0	0	110.2	L428 V583 P589 H630	L428-I586 HydrophobicContact CB-CG1 3.94Å; L428-I586 HydrophobicContact CD2-CD1 4.14Å; L428-I586 HydrophobicContact CD2-CG1 4.26Å; L428-I586 HydrophobicContact CG-CG1 4.38Å; L428-I586 PolarHBondContact N-O 2.74Å; L428-I586 PolarHBondContact O-N 3.49Å; V583-I586 HydrophobicContact CG1-CG2 3.65Å; I586-P589 HydrophobicContact CD1-CG 4.22Å; I586-H630 HydrophobicContact CB-CB 4.1Å; I586-H630 WeakPolarHBondContact CD1-ND1 3.31Å; I586-H630 HydrophobicContact CG2-CB 3.71Å; I586-H630 VanDerWaalsContact CG2-CG 3.48Å
587	L	98	Very high	96.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.4	165.9	-62.7	172.4	0	0	0	109	P425 I427 P589 R592 Q794 H797 T798	P425-L587 HydrophobicContact CB-CD2 3.93Å; P425-L587 HydrophobicContact CG-CD2 3.82Å; I427-L587 HydrophobicContact CD1-CD2 4.03Å; L587-P589 VanDerWaalsContact O-CD 3.25Å; L587-P589 WeakPolarHBondContact O-CD 3.45Å; L587-P589 VanDerWaalsContact O-N 3.12Å; L587-R592 HydrophobicContact CB-CG 4.08Å; L587-R592 HydrophobicContact CD1-CG 4.49Å; L587-Q794 HydrophobicContact CD1-CB 3.88Å; L587-Q794 HydrophobicContact CD2-CB 4.19Å; L587-H797 HydrophobicContact CD2-CB 4.44Å; L587-T798 HydrophobicContact CD1-CG2 3.81Å; L587-T798 HydrophobicContact CD2-CG2 4.02Å; L587-T798 HydrophobicContact CG-CG2 3.75Å
588	L	97.6	Very high	96.6	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.147	22%	0.216	C	C	.	.			trans	-58	116.5	175.1	-175.2	65.8	0	0	0	109.6	S426 L428 I436 Q590 G591	S426-L588 WeakPolarHBondContact O-CB 3.48Å; S426-L588 PolarHBondContact O-N 3.21Å; L428-L588 HydrophobicContact CB-CD1 4.43Å; I436-L588 HydrophobicContact CD1-CD1 4.17Å; L588-Q590 VanDerWaalsContact C-N 3.32Å; L588-Q590 HydrophobicContact CD2-CG 4.26Å; L588-Q590 VanDerWaalsContact CG-CD 3.45Å; L588-Q590 HydrophobicContact CG-CG 4.18Å; L588-Q590 PolarHBondContact O-N 2.67Å; L588-G591 PolarHBondContact O-N 2.98Å
589	P	95.6	Very high	96.6	Very high	49 Å²	49	42.1 Å²	42.1	32%	0.318	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.4	-38.7	-164.8	-31.8	37.9	0	0	0	115.7	I586 L587 G591 R592	I586-P589 HydrophobicContact CD1-CG 4.22Å; L587-P589 VanDerWaalsContact O-CD 3.25Å; L587-P589 WeakPolarHBondContact O-CD 3.45Å; L587-P589 VanDerWaalsContact O-N 3.12Å; P589-G591 VanDerWaalsContact C-N 3.3Å; P589-G591 PolarHBondContact O-N 3.39Å; P589-R592 PolarHBondContact O-NE 3.24Å
590	Q	92.4	Very high	96.6	Very high	148 Å²	148	41.8 Å²	41.8	69%	0.692	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-74.9	-15.2	179.4	65.1	-90	35.1	0	0	114.1	L588	L588-Q590 VanDerWaalsContact C-N 3.32Å; L588-Q590 HydrophobicContact CD2-CG 4.26Å; L588-Q590 VanDerWaalsContact CG-CD 3.45Å; L588-Q590 HydrophobicContact CG-CG 4.18Å; L588-Q590 PolarHBondContact O-N 2.67Å
591	G	91.3	Very high	96.7	Very high	43 Å²	43	40.1 Å²	40.1	44%	0.443	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-92.5	6.3	177.8	0	0	0	0	0	113.6	L588 P589 Q794	L588-G591 PolarHBondContact O-N 2.98Å; P589-G591 VanDerWaalsContact C-N 3.3Å; P589-G591 PolarHBondContact O-N 3.39Å; G591-Q794 PolarHBondContact O-NE2 3.48Å
592	R	96.1	Very high	96.8	Very high	62 Å²	62	39.3 Å²	39.3	23%	0.234	21%	0.208	C	C	.	.	S	Bend	trans	-89.6	150.8	-176	-64.4	179.1	-60.1	169.7	4.4	111.8	L587 P589 F596 A629	L587-R592 HydrophobicContact CB-CG 4.08Å; L587-R592 HydrophobicContact CD1-CG 4.49Å; P589-R592 PolarHBondContact O-NE 3.24Å; R592-F596 HydrophobicContact CB-CB 4.48Å; R592-F596 HydrophobicContact CB-CD2 3.68Å; R592-F596 HydrophobicContact CB-CE2 4.09Å; R592-F596 HydrophobicContact CB-CG 4.15Å; R592-F596 HydrophobicContact CG-CD2 4.39Å; R592-F596 HydrophobicContact CG-CE2 4.46Å; R592-A629 PolarHBondContact NH1-O 3Å
593	P	95.2	Very high	96.9	Very high	18 Å²	18	39.2 Å²	39.2	12%	0.117	21%	0.207	C	C	.	.			trans	-56.8	161.9	172.9	-26.9	34.5	0	0	0	114.9	V595 F596 E787 V790 L791 Q794	P593-V595 HydrophobicContact CB-CG1 4.2Å; P593-V595 PolarHBondContact O-N 3.05Å; P593-F596 WeakPolarHBondContact O-CD2 3.41Å; P593-F596 PolarHBondContact O-N 3.4Å; P593-E787 HydrophobicContact CB-CG 3.84Å; P593-V790 HydrophobicContact CG-CG1 4.24Å; P593-L791 HydrophobicContact CG-CB 4.03Å; P593-L791 HydrophobicContact CG-CD1 4.34Å; P593-Q794 VanDerWaalsContact CD-OE1 3.25Å
594	L	94.2	Very high	96.9	Very high	112 Å²	112	38.6 Å²	38.6	59%	0.586	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-63.9	-27.3	-175.7	-64.5	175.2	0	0	0	113	F596 Q597 E787	L594-F596 PolarHBondContact O-N 3.16Å; L594-Q597 VanDerWaalsContact CD2-NE2 3.28Å; L594-Q597 WeakPolarHBondContact O-CB 3.28Å; L594-Q597 WeakPolarHBondContact O-CG 3.49Å; L594-Q597 PolarHBondContact O-N 3.42Å; L594-E787 PolarHBondContact N-OE1 2.93Å
595	V	96.5	Very high	96.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-46.8	-31.1	173.8	75.2	0	0	0	0	113.9	P593 Q597 V600 F783 E787 L791	P593-V595 HydrophobicContact CB-CG1 4.2Å; P593-V595 PolarHBondContact O-N 3.05Å; V595-Q597 VanDerWaalsContact C-N 3.29Å; V595-Q597 PolarHBondContact O-N 3.17Å; V595-V600 HydrophobicContact CG2-CB 4.43Å; V595-V600 HydrophobicContact CG2-CG2 4.09Å; V595-F783 HydrophobicContact CB-CE1 4.11Å; V595-F783 HydrophobicContact CB-CZ 4.09Å; V595-F783 HydrophobicContact CG2-CE1 4.26Å; V595-F783 HydrophobicContact CG2-CZ 3.72Å; V595-E787 PolarHBondContact N-OE1 3.36Å; V595-E787 VanDerWaalsContact N-OE1 3.1Å; V595-L791 HydrophobicContact CG1-CD1 4.14Å; V595-L791 HydrophobicContact CG1-CD2 4.21Å
596	F	97.1	Very high	96.8	Very high	28 Å²	28	38.5 Å²	38.5	12%	0.123	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-76.2	-7.3	-179	-73.2	-86.6	0	0	0	114.7	R592 P593 L594 Q598 V600 F602 P631 L791	R592-F596 HydrophobicContact CB-CB 4.48Å; R592-F596 HydrophobicContact CB-CD2 3.68Å; R592-F596 HydrophobicContact CB-CE2 4.09Å; R592-F596 HydrophobicContact CB-CG 4.15Å; R592-F596 HydrophobicContact CG-CD2 4.39Å; R592-F596 HydrophobicContact CG-CE2 4.46Å; P593-F596 WeakPolarHBondContact O-CD2 3.41Å; P593-F596 PolarHBondContact O-N 3.4Å; L594-F596 PolarHBondContact O-N 3.16Å; F596-Q598 PolarHBondContact O-N 2.93Å; F596-V600 HydrophobicContact CD1-CG1 4.35Å; F596-F602 HydrophobicContact CD1-CE2 4.44Å; F596-F602 AromaticContact CE1-CE2 3.56Å; F596-F602 HydrophobicContact CE1-CE2 3.56Å; F596-F602 AromaticContact CE1-CZ 3.76Å; F596-F602 HydrophobicContact CE1-CZ 3.76Å; F596-F602 HydrophobicContact CE2-CZ 4.13Å; F596-F602 AromaticContact CZ-CE2 3.74Å; F596-F602 HydrophobicContact CZ-CE2 3.74Å; F596-F602 AromaticContact CZ-CZ 3.5Å; F596-F602 HydrophobicContact CZ-CZ 3.5Å; F596-P631 HydrophobicContact CE1-CG 4.06Å; F596-P631 HydrophobicContact CZ-CG 4.24Å; F596-L791 HydrophobicContact CE2-CD1 3.61Å; F596-L791 HydrophobicContact CZ-CD1 4.06Å
597	Q	96	Very high	96.7	Very high	156 Å²	156	38.8 Å²	38.8	73%	0.729	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70.7	-20.8	178	-68.6	-178.6	-8.7	0	0	113	L594 V595	L594-Q597 VanDerWaalsContact CD2-NE2 3.28Å; L594-Q597 WeakPolarHBondContact O-CB 3.28Å; L594-Q597 WeakPolarHBondContact O-CG 3.49Å; L594-Q597 PolarHBondContact O-N 3.42Å; V595-Q597 VanDerWaalsContact C-N 3.29Å; V595-Q597 PolarHBondContact O-N 3.17Å
598	Q	96.7	Very high	96.4	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.43	21%	0.208	S	C	.	.	S	Bend	trans	-119.9	159.8	172.5	-60.2	176.2	-13.7	0	0	109.7	F596 V600 T671 R672	F596-Q598 PolarHBondContact O-N 2.93Å; Q598-V600 PolarHBondContact O-N 3.02Å; Q598-T671 HydrophobicContact CB-CG2 4.42Å; Q598-T671 WeakPolarHBondContact CB-OG1 3.4Å; Q598-T671 PolarHBondContact OE1-OG1 3.39Å; Q598-R672 VanDerWaalsContact OE1-CZ 3.29Å; Q598-R672 VanDerWaalsContact OE1-NH1 3.07Å; Q598-R672 VanDerWaalsContact OE1-NH2 3.09Å
599	P	98.4	Very high	96.1	Very high	38 Å²	38	40.7 Å²	40.7	25%	0.247	21%	0.214	C	C	.	.			trans	-57.2	123.3	177	-24.8	34.8	0	0	0	111.3	F668 K669 P670 T671	P599-F668 HydrophobicContact CB-CB 3.73Å; P599-F668 HydrophobicContact CB-CG 4.34Å; P599-F668 HydrophobicContact CG-CB 3.67Å; P599-F668 HydrophobicContact CG-CD1 3.67Å; P599-F668 HydrophobicContact CG-CG 3.8Å; P599-K669 WeakPolarHBondContact CB-O 3.39Å; P599-P670 CarbonylContact O-C 3.45Å; P599-P670 WeakPolarHBondContact O-CA 3.31Å; P599-T671 PolarHBondContact O-N 3.37Å; P599-T671 PolarHBondContact O-OG1 3.37Å
600	V	98.8	Very high	95.7	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.9	-179.6	55.3	0	0	0	0	109.5	V595 F596 Q598 F602 R672 I674	V595-V600 HydrophobicContact CG2-CB 4.43Å; V595-V600 HydrophobicContact CG2-CG2 4.09Å; F596-V600 HydrophobicContact CD1-CG1 4.35Å; Q598-V600 PolarHBondContact O-N 3.02Å; V600-F602 HydrophobicContact CG1-CE2 3.8Å; V600-F602 HydrophobicContact CG1-CZ 3.94Å; V600-F602 HydrophobicContact CG2-CE1 4.34Å; V600-F602 HydrophobicContact CG2-CE2 4.22Å; V600-F602 HydrophobicContact CG2-CZ 4.01Å; V600-R672 WeakPolarHBondContact CA-O 3.49Å; V600-R672 HydrophobicContact CB-CB 4.27Å; V600-R672 HydrophobicContact CG2-CB 3.97Å; V600-I674 HydrophobicContact CG2-CG1 3.73Å
601	I	98.9	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131	172.5	-169.3	174.6	0	0	0	110.2	L603 L659 F662 P670 R672 I673 I674	I601-L603 HydrophobicContact CD1-CD2 3.79Å; I601-L603 HydrophobicContact CG1-CD2 3.94Å; I601-L659 HydrophobicContact CD1-CD2 4.31Å; I601-L659 HydrophobicContact CG2-CD2 4.19Å; I601-F662 HydrophobicContact CB-CD2 4.05Å; I601-F662 HydrophobicContact CB-CE2 4.12Å; I601-F662 HydrophobicContact CD1-CB 3.92Å; I601-F662 HydrophobicContact CD1-CD2 3.93Å; I601-F662 HydrophobicContact CD1-CG 4.13Å; I601-F662 HydrophobicContact CG1-CD2 3.87Å; I601-F662 HydrophobicContact CG1-CE2 4.33Å; I601-F662 HydrophobicContact CG1-CG 4.5Å; I601-P670 HydrophobicContact CB-CB 4.19Å; I601-P670 HydrophobicContact CB-CG 3.91Å; I601-P670 HydrophobicContact CG2-CB 3.8Å; I601-P670 HydrophobicContact CG2-CG 3.8Å; I601-R672 PolarHBondContact N-O 2.89Å; I601-R672 VanDerWaalsContact N-O 3.09Å; I601-I673 HydrophobicContact CG2-CB 4.24Å; I601-I673 HydrophobicContact CG2-CG1 3.8Å; I601-I673 HydrophobicContact CG2-CG2 4.25Å; I601-I674 PolarHBondContact O-N 3.32Å
602	F	98.9	Very high	94.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.6	174.4	-61.2	-82.3	0	0	0	109.3	F596 V600 G625 S626 P631 Y634 I674 L791 L795	F596-F602 HydrophobicContact CD1-CE2 4.44Å; F596-F602 AromaticContact CE1-CE2 3.56Å; F596-F602 HydrophobicContact CE1-CE2 3.56Å; F596-F602 AromaticContact CE1-CZ 3.76Å; F596-F602 HydrophobicContact CE1-CZ 3.76Å; F596-F602 HydrophobicContact CE2-CZ 4.13Å; F596-F602 AromaticContact CZ-CE2 3.74Å; F596-F602 HydrophobicContact CZ-CE2 3.74Å; F596-F602 AromaticContact CZ-CZ 3.5Å; F596-F602 HydrophobicContact CZ-CZ 3.5Å; V600-F602 HydrophobicContact CG1-CE2 3.8Å; V600-F602 HydrophobicContact CG1-CZ 3.94Å; V600-F602 HydrophobicContact CG2-CE1 4.34Å; V600-F602 HydrophobicContact CG2-CE2 4.22Å; V600-F602 HydrophobicContact CG2-CZ 4.01Å; F602-G625 CarbonylContact O-C 3.57Å; F602-G625 WeakPolarHBondContact O-CA 3.36Å; F602-S626 PolarHBondContact N-OG 2.97Å; F602-S626 PolarHBondContact O-N 3.26Å; F602-P631 HydrophobicContact CD2-CB 3.66Å; F602-P631 HydrophobicContact CD2-CG 3.56Å; F602-P631 HydrophobicContact CE2-CB 4Å; F602-P631 HydrophobicContact CE2-CG 3.66Å; F602-P631 HydrophobicContact CG-CG 4.4Å; F602-Y634 HydrophobicContact CB-CE1 4.47Å; F602-I674 HydrophobicContact CD1-CB 3.81Å; F602-I674 HydrophobicContact CD1-CG1 4.15Å; F602-I674 HydrophobicContact CD1-CG2 4.22Å; F602-I674 HydrophobicContact CE1-CB 4.06Å; F602-I674 HydrophobicContact CE1-CG1 3.91Å; F602-I674 HydrophobicContact CE1-CG2 4.42Å; F602-L791 HydrophobicContact CE1-CD1 3.83Å; F602-L791 HydrophobicContact CE1-CD2 4.16Å; F602-L791 HydrophobicContact CE1-CG 4.36Å; F602-L791 HydrophobicContact CZ-CD1 4.03Å; F602-L795 HydrophobicContact CD1-CD1 3.76Å; F602-L795 HydrophobicContact CD1-CD2 4.34Å; F602-L795 HydrophobicContact CE1-CD1 4.04Å; F602-L795 HydrophobicContact CG-CD1 4.5Å; F602-L795 HydrophobicContact CG-CD2 4.42Å
603	L	98.9	Very high	92.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.6	178	-61.6	-174.2	0	0	0	110.3	I601 V624 V655 L658 I673 I674 Y675 Y676	I601-L603 HydrophobicContact CD1-CD2 3.79Å; I601-L603 HydrophobicContact CG1-CD2 3.94Å; L603-V624 CarbonylContact C-O 3.56Å; L603-V624 VanDerWaalsContact CA-O 3.24Å; L603-V624 WeakPolarHBondContact CA-O 3.36Å; L603-V655 HydrophobicContact CD1-CG1 4.32Å; L603-V655 HydrophobicContact CD1-CG2 4.2Å; L603-L658 HydrophobicContact CD2-CB 4.48Å; L603-L658 HydrophobicContact CD2-CD1 3.94Å; L603-I673 HydrophobicContact CD1-CG2 3.61Å; L603-I673 HydrophobicContact CG-CG2 4.09Å; L603-I674 PolarHBondContact N-O 2.93Å; L603-Y675 HydrophobicContact CB-CD2 3.62Å; L603-Y675 HydrophobicContact CB-CE2 4.37Å; L603-Y675 HydrophobicContact CD1-CD2 4.41Å; L603-Y676 PolarHBondContact O-N 2.8Å
604	G	98.8	Very high	91.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.5	173.1	0	0	0	0	0	110.5	V623 V624 Y676	G604-V623 CarbonylContact O-C 3.55Å; G604-V623 VanDerWaalsContact O-CA 3.27Å; G604-V623 WeakPolarHBondContact O-CA 3.35Å; G604-V624 PolarHBondContact N-O 3.49Å; G604-V624 PolarHBondContact O-N 3.04Å; G604-Y676 CarbonylContact C-O 3.37Å; G604-Y676 WeakPolarHBondContact CA-O 3.45Å
605	S	98.4	Very high	91	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.1	180	59.5	0	0	0	0	114.7	A622 Y675 Y676 R677 D678 A815	S605-A622 CarbonylContact C-O 3.47Å; S605-A622 WeakPolarHBondContact CA-O 3.46Å; S605-A622 WeakPolarHBondContact CB-O 3.36Å; S605-Y675 WeakPolarHBondContact CB-OH 3.42Å; S605-Y675 WeakPolarHBondContact OG-CE2 3.27Å; S605-Y675 PolarHBondContact OG-OH 3.16Å; S605-Y676 PolarHBondContact N-O 3.3Å; S605-R677 WeakPolarHBondContact OG-CD 3.47Å; S605-D678 PolarHBondContact O-N 3.36Å; S605-A815 VanDerWaalsContact CA-CB 3.49Å
606	D	96.5	Very high	90.3	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.2	-178	178.7	53.8	0	0	0	113.9	T608 A621 A622 A815 H816	D606-T608 PolarHBondContact OD2-OG1 3.09Å; D606-A621 WeakPolarHBondContact O-CA 3.44Å; D606-A622 PolarHBondContact N-O 2.88Å; D606-A622 PolarHBondContact O-N 2.95Å; D606-A622 VanDerWaalsContact O-N 3.1Å; D606-A815 HydrophobicContact CB-CB 3.97Å; D606-H816 HydrophobicContact CB-CB 4.38Å; D606-H816 IonicContact OD2-CD2 3.73Å
607	V	96	Very high	89.8	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.085	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	79.4	168.3	-144.4	0	0	0	0	118.3	H609 A621 I648	V607-H609 PolarHBondContact O-N 2.94Å; V607-A621 HydrophobicContact CG2-CB 3.91Å; V607-I648 HydrophobicContact CG2-CD1 4.29Å; V607-I648 HydrophobicContact CG2-CG1 3.66Å
608	T	92.7	Very high	89.6	Confident	16 Å²	16	38.6 Å²	38.6	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	105.2	178.3	-68.6	0	0	0	0	113.3	D606 I620 F820 R823	D606-T608 PolarHBondContact OD2-OG1 3.09Å; T608-I620 PolarHBondContact N-O 3.11Å; T608-I620 PolarHBondContact O-N 3.26Å; T608-F820 HydrophobicContact CG2-CD1 4.33Å; T608-F820 HydrophobicContact CG2-CE1 4.21Å; T608-R823 PolarHBondContact O-NH2 2.91Å
609	H	90.9	Very high	89.5	Confident	56 Å²	56	34.2 Å²	34.2	26%	0.259	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-78.2	158	173.8	-56	-50	0	0	0	114.1	V607 S619 Q645 D646	V607-H609 PolarHBondContact O-N 2.94Å; H609-S619 PolarHBondContact ND1-OG 2.97Å; H609-Q645 PolarHBondContact CE1-O 2.9Å; H609-D646 IonicContact CE1-OD1 3.92Å; H609-D646 PolarHBondContact CE1-OD1 3.36Å; H609-D646 IonicContact NE2-OD1 3.43Å; H609-D646 PolarHBondContact NE2-OD1 2.99Å
610	P	86.4	Confident	89.4	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.039	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-59.5	158.6	167.9	-23	33.1	0	0	0	113.8	D614 K617 P618	P610-D614 HydrophobicContact CB-CB 3.91Å; P610-K617 HydrophobicContact CB-CB 3.81Å; P610-K617 HydrophobicContact CG-CB 3.57Å; P610-K617 WeakPolarHBondContact CG-O 3.26Å; P610-P618 WeakPolarHBondContact CG-O 3.42Å
611	P	80.1	Confident	89.4	Confident	71 Å²	71	32 Å²	32	46%	0.461	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-49.5	148.6	171.4	-25.6	34.9	0	0	0	112.6	G613 D614 R644	P611-G613 PolarHBondContact O-N 3.34Å; P611-D614 VanDerWaalsContact O-CB 3.29Å; P611-D614 WeakPolarHBondContact O-CB 3.33Å; P611-D614 PolarHBondContact O-N 3.12Å; P611-D614 VanDerWaalsContact O-N 3.15Å; P611-R644 PolarHBondContact O-NH2 3.48Å
612	A	71	Confident	89.3	Confident	55 Å²	55	32 Å²	32	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	136.9	179.5	0	0	0	0	0	111	I362 D614	I362-A612 HydrophobicContact CG2-CB 3.29Å; A612-D614 VanDerWaalsContact C-N 3.34Å
613	G	68.6	Low	89.3	Confident	76 Å²	76	31.9 Å²	31.9	78%	0.784	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-10.8	-173.9	0	0	0	0	0	115	P611	P611-G613 PolarHBondContact O-N 3.34Å
614	D	74.8	Confident	89.3	Confident	41 Å²	41	31.9 Å²	31.9	22%	0.219	20%	0.202	C	C	.	.			trans	-77	132.2	166.5	-165.5	-63.9	0	0	0	109.7	P610 P611 A612 K616 K617 H643 R644	P610-D614 HydrophobicContact CB-CB 3.91Å; P611-D614 VanDerWaalsContact O-CB 3.29Å; P611-D614 WeakPolarHBondContact O-CB 3.33Å; P611-D614 PolarHBondContact O-N 3.12Å; P611-D614 VanDerWaalsContact O-N 3.15Å; A612-D614 VanDerWaalsContact C-N 3.34Å; D614-K616 PolarHBondContact OD1-N 3.25Å; D614-K617 WeakPolarHBondContact OD1-CB 3.3Å; D614-K617 PolarHBondContact OD1-N 3.19Å; D614-K617 WeakPolarHBondContact OD2-CD 3.41Å; D614-K617 WeakPolarHBondContact OD2-CE 3.46Å; D614-K617 VanDerWaalsContact OD2-CG 3.25Å; D614-K617 WeakPolarHBondContact OD2-CG 3.43Å; D614-H643 PolarHBondContact O-CE1 2.91Å; D614-H643 PolarHBondContact O-NE2 3.35Å; D614-H643 VanDerWaalsContact O-NE2 3.13Å; D614-R644 PolarHBondContact O-NH2 2.71Å
615	G	76.7	Confident	89.3	Confident	60 Å²	60	31.9 Å²	31.9	62%	0.619	20%	0.202	S	C	*	.	S	Bend	trans	-121.1	10.8	177.8	0	0	0	0	0	114.3
616	K	82.4	Confident	89.3	Confident	200 Å²	200	31.9 Å²	31.9	87%	0.87	20%	0.202	S	C	*	.	S	Bend	trans	-123.5	-34.7	-175.1	-66.2	-170.3	178.9	-171.4	0	113.6	D614	D614-K616 PolarHBondContact OD1-N 3.25Å
617	K	85.9	Confident	89.4	Confident	50 Å²	50	32 Å²	32	22%	0.217	20%	0.203	C	C	.	.	S	Bend	trans	-70.5	146.1	-174.5	-68.3	-177.9	-166.6	-143.5	0	111.3	P610 D614 H643 E830	P610-K617 HydrophobicContact CB-CB 3.81Å; P610-K617 HydrophobicContact CG-CB 3.57Å; P610-K617 WeakPolarHBondContact CG-O 3.26Å; D614-K617 WeakPolarHBondContact OD1-CB 3.3Å; D614-K617 PolarHBondContact OD1-N 3.19Å; D614-K617 WeakPolarHBondContact OD2-CD 3.41Å; D614-K617 WeakPolarHBondContact OD2-CE 3.46Å; D614-K617 VanDerWaalsContact OD2-CG 3.25Å; D614-K617 WeakPolarHBondContact OD2-CG 3.43Å; K617-H643 PolarHBondContact O-ND1 3.34Å; K617-E830 WeakPolarHBondContact CD-OE1 3.08Å; K617-E830 WeakPolarHBondContact CE-OE1 3.42Å; K617-E830 IonicContact NZ-OE1 2.75Å; K617-E830 PolarHBondContact NZ-OE1 3.06Å; K617-E830 IonicContact NZ-OE2 3.47Å; K617-E830 PolarHBondContact NZ-OE2 2.86Å
618	P	91.9	Very high	89.5	Confident	16 Å²	16	32.5 Å²	32.5	10%	0.104	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-73.6	156.1	177	32.4	-37.6	0	0	0	111.6	P610 V640 Q641 R823 L826 L851	P610-P618 WeakPolarHBondContact CG-O 3.42Å; P618-V640 HydrophobicContact CB-CB 4.07Å; P618-V640 HydrophobicContact CB-CG1 4.43Å; P618-V640 HydrophobicContact CG-CB 4.22Å; P618-V640 HydrophobicContact CG-CG1 4.07Å; P618-Q641 WeakPolarHBondContact CB-O 3.38Å; P618-R823 PolarHBondContact O-NH1 3.33Å; P618-R823 PolarHBondContact O-NH2 3.04Å; P618-L826 HydrophobicContact CG-CD1 4.27Å; P618-L851 HydrophobicContact CG-CD1 4.15Å
619	S	94.1	Very high	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	150.9	158.6	-55.8	0	0	0	0	109	H609 Q641 Q642 R644	H609-S619 PolarHBondContact ND1-OG 2.97Å; S619-Q641 PolarHBondContact N-O 3.4Å; S619-Q641 PolarHBondContact O-N 2.74Å; S619-Q642 WeakPolarHBondContact CB-O 3.32Å; S619-Q642 PolarHBondContact OG-O 3.35Å; S619-Q642 VanDerWaalsContact OG-O 3.06Å; S619-R644 WeakPolarHBondContact OG-CA 3.34Å; S619-R644 PolarHBondContact OG-N 3.2Å
620	I	96.7	Very high	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.6	176.6	-64.7	168.5	0	0	0	108.2	T608 V638 R639 V640 A819 A822 R823 L826	T608-I620 PolarHBondContact N-O 3.11Å; T608-I620 PolarHBondContact O-N 3.26Å; I620-V638 HydrophobicContact CG2-CG2 3.56Å; I620-R639 WeakPolarHBondContact CA-O 3.47Å; I620-V640 HydrophobicContact CG1-CG1 4.45Å; I620-A819 HydrophobicContact CG2-CB 4.08Å; I620-A822 HydrophobicContact CD1-CB 4.06Å; I620-A822 HydrophobicContact CG2-CB 3.94Å; I620-R823 HydrophobicContact CD1-CB 3.93Å; I620-L826 HydrophobicContact CD1-CD1 3.86Å; I620-L826 HydrophobicContact CG1-CD1 4.43Å
621	A	97.9	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.2	171.1	0	0	0	0	0	110.3	D606 V607 V638 R639 I648	D606-A621 WeakPolarHBondContact O-CA 3.44Å; V607-A621 HydrophobicContact CG2-CB 3.91Å; A621-V638 CarbonylContact O-C 3.57Å; A621-V638 WeakPolarHBondContact O-CA 3.25Å; A621-V638 WeakPolarHBondContact O-CG2 3.42Å; A621-R639 PolarHBondContact N-O 3.47Å; A621-R639 PolarHBondContact O-N 3.23Å; A621-I648 HydrophobicContact CB-CB 4.43Å; A621-I648 HydrophobicContact CB-CG1 4.04Å; A621-I648 HydrophobicContact CB-CG2 3.89Å
622	A	98.4	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.6	176	0	0	0	0	0	110.4	S605 D606 T637 V638 A815 V818 A819	S605-A622 CarbonylContact C-O 3.47Å; S605-A622 WeakPolarHBondContact CA-O 3.46Å; S605-A622 WeakPolarHBondContact CB-O 3.36Å; D606-A622 PolarHBondContact N-O 2.88Å; D606-A622 PolarHBondContact O-N 2.95Å; D606-A622 VanDerWaalsContact O-N 3.1Å; A622-T637 WeakPolarHBondContact CA-O 3.38Å; A622-V638 HydrophobicContact CB-CG2 4.44Å; A622-A815 HydrophobicContact CB-CB 4.49Å; A622-A815 VanDerWaalsContact CB-O 3.28Å; A622-A815 WeakPolarHBondContact CB-O 3.37Å; A622-V818 HydrophobicContact CB-CB 3.85Å; A622-V818 HydrophobicContact CB-CG1 3.65Å; A622-A819 HydrophobicContact CB-CB 3.97Å
623	V	98.8	Very high	92.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.9	173.9	-172.8	0	0	0	0	108.6	G604 T637 I648 L651 M654 L658	G604-V623 CarbonylContact O-C 3.55Å; G604-V623 VanDerWaalsContact O-CA 3.27Å; G604-V623 WeakPolarHBondContact O-CA 3.35Å; V623-T637 PolarHBondContact N-O 3.38Å; V623-T637 PolarHBondContact O-N 2.72Å; V623-T637 PolarHBondContact O-OG1 3.41Å; V623-I648 HydrophobicContact CG2-CD1 4.13Å; V623-L651 HydrophobicContact CG2-CD1 3.63Å; V623-M654 HydrophobicContact CB-CB 4.42Å; V623-M654 HydrophobicContact CB-CE 3.83Å; V623-M654 HydrophobicContact CG2-CB 4.33Å; V623-M654 HydrophobicContact CG2-CE 3.51Å; V623-M654 HydrophobicContact CG2-SD 3.99Å; V623-L658 HydrophobicContact CB-CD1 4.28Å; V623-L658 HydrophobicContact CG1-CD1 3.68Å
624	V	98.9	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154	174.8	-59.5	0	0	0	0	110.2	L603 G604 Y634 C635 A636 P811 A815 V818	L603-V624 CarbonylContact C-O 3.56Å; L603-V624 VanDerWaalsContact CA-O 3.24Å; L603-V624 WeakPolarHBondContact CA-O 3.36Å; G604-V624 PolarHBondContact N-O 3.49Å; G604-V624 PolarHBondContact O-N 3.04Å; V624-Y634 HydrophobicContact CB-CD1 4.3Å; V624-Y634 HydrophobicContact CG2-CD1 4.04Å; V624-C635 CarbonylContact C-O 3.5Å; V624-C635 WeakPolarHBondContact CA-O 3.48Å; V624-C635 WeakPolarHBondContact CB-O 3.36Å; V624-A636 HydrophobicContact CG1-CB 3.99Å; V624-P811 HydrophobicContact CG2-CB 4.23Å; V624-P811 WeakPolarHBondContact CG2-O 3.22Å; V624-A815 HydrophobicContact CG2-CB 4.46Å; V624-V818 HydrophobicContact CG1-CG2 3.9Å
625	G	98.8	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141	174.1	0	0	0	0	0	111.8	F602 M627 Y634 C635	F602-G625 CarbonylContact O-C 3.57Å; F602-G625 WeakPolarHBondContact O-CA 3.36Å; G625-M627 WeakPolarHBondContact O-CE 3.22Å; G625-Y634 CarbonylContact O-C 3.54Å; G625-Y634 WeakPolarHBondContact O-CA 3.33Å; G625-Y634 WeakPolarHBondContact O-CD1 3.39Å; G625-C635 PolarHBondContact N-O 3.41Å; G625-C635 PolarHBondContact O-N 3.17Å
626	S	98.8	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	147.2	172.6	60.4	0	0	0	0	110.4	F602 R633 Y634 F662	F602-S626 PolarHBondContact N-OG 2.97Å; F602-S626 PolarHBondContact O-N 3.26Å; S626-R633 CarbonylContact C-O 3.56Å; S626-R633 WeakPolarHBondContact CA-O 3.19Å; S626-Y634 VanDerWaalsContact N-CD1 3.3Å; S626-F662 VanDerWaalsContact O-CD2 3.27Å; S626-F662 WeakPolarHBondContact O-CD2 3.38Å
627	M	98.4	Very high	96.6	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.049	9%	0.09	C	C	.	.			trans	-123.5	6.3	-172.4	-62.9	-68.1	134.1	0	0	113.5	G625 R633 C635 L658 Q661 S665 T666	G625-M627 WeakPolarHBondContact O-CE 3.22Å; M627-R633 HydrophobicContact CB-CB 4.37Å; M627-R633 PolarHBondContact N-O 2.93Å; M627-C635 HydrophobicContact CE-CB 3.82Å; M627-C635 HydrophobicContact CG-CB 3.94Å; M627-C635 VanDerWaalsContact CG-SG 3.6Å; M627-C635 HydrophobicContact SD-CB 3.95Å; M627-L658 HydrophobicContact CE-CB 4.39Å; M627-L658 HydrophobicContact CE-CD2 3.87Å; M627-Q661 HydrophobicContact SD-CB 4.03Å; M627-Q661 HydrophobicContact SD-CG 3.7Å; M627-S665 VanDerWaalsContact O-CB 3.3Å; M627-S665 WeakPolarHBondContact O-CB 3.46Å; M627-T666 WeakPolarHBondContact O-CG2 3.29Å
628	D	97.3	Very high	97.1	Very high	25 Å²	25	14.5 Å²	14.5	13%	0.134	8%	0.082	C	C	.	.	S	Bend	trans	-148.3	168.4	178	60	52.2	0	0	0	109.9	H630 P631 S632 R633	D628-H630 PolarHBondContact O-N 2.73Å; D628-H630 VanDerWaalsContact OD1-CB 3.27Å; D628-H630 WeakPolarHBondContact OD1-CB 3.5Å; D628-H630 IonicContact OD1-CD2 2.73Å; D628-H630 IonicContact OD1-CG 3.74Å; D628-H630 PolarHBondContact OD1-N 3.38Å; D628-P631 WeakPolarHBondContact OD1-CA 3.44Å; D628-S632 PolarHBondContact OD1-N 3.26Å; D628-R633 VanDerWaalsContact OD2-CB 3.29Å; D628-R633 WeakPolarHBondContact OD2-CB 3.31Å; D628-R633 WeakPolarHBondContact OD2-CG 3.39Å; D628-R633 PolarHBondContact OD2-N 2.81Å
629	A	97.1	Very high	97.4	Very high	73 Å²	73	16 Å²	16	60%	0.603	9%	0.086	S	C	*	.	S	Bend	trans	-77.8	0.9	179.8	0	0	0	0	0	113.4	R592	R592-A629 PolarHBondContact NH1-O 3Å
630	H	95.3	Very high	97.5	Very high	57 Å²	57	16.4 Å²	16.4	26%	0.264	9%	0.088	S	C	.	.	S	Bend	trans	-74	-45.3	-170.9	-69	-55.6	0	0	0	115.2	I586 D628	I586-H630 HydrophobicContact CB-CB 4.1Å; I586-H630 WeakPolarHBondContact CD1-ND1 3.31Å; I586-H630 HydrophobicContact CG2-CB 3.71Å; I586-H630 VanDerWaalsContact CG2-CG 3.48Å; D628-H630 PolarHBondContact O-N 2.73Å; D628-H630 VanDerWaalsContact OD1-CB 3.27Å; D628-H630 WeakPolarHBondContact OD1-CB 3.5Å; D628-H630 IonicContact OD1-CD2 2.73Å; D628-H630 IonicContact OD1-CG 3.74Å; D628-H630 PolarHBondContact OD1-N 3.38Å
631	P	93.4	Very high	97.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.091	C	C	.	.	S	Bend	cis	-99.4	98.6	-7.1	34.7	-24.3	0	0	0	112	F596 F602 D628 Y634 L795	F596-P631 HydrophobicContact CE1-CG 4.06Å; F596-P631 HydrophobicContact CZ-CG 4.24Å; F602-P631 HydrophobicContact CD2-CB 3.66Å; F602-P631 HydrophobicContact CD2-CG 3.56Å; F602-P631 HydrophobicContact CE2-CB 4Å; F602-P631 HydrophobicContact CE2-CG 3.66Å; F602-P631 HydrophobicContact CG-CG 4.4Å; D628-P631 WeakPolarHBondContact OD1-CA 3.44Å; P631-Y634 WeakPolarHBondContact O-CE2 3.47Å; P631-L795 HydrophobicContact CG-CD2 3.76Å
632	S	94.9	Very high	97.1	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.042	12%	0.122	C	C	.	.			trans	-102.2	-46.4	-168	-164.2	0	0	0	0	113.5	N585 D628 Y634	N585-S632 PolarHBondContact O-OG 3.4Å; D628-S632 PolarHBondContact OD1-N 3.26Å; S632-Y634 WeakPolarHBondContact O-CD2 3.37Å
633	R	97.4	Very high	96.8	Very high	86 Å²	86	26.4 Å²	26.4	33%	0.325	14%	0.135	S	C	.	.			trans	-84.7	142.3	178.6	-66	-172.8	57.9	166.1	-7.8	111.6	G581 V583 S626 M627 D628 R863	G581-R633 PolarHBondContact O-NH1 3.21Å; V583-R633 HydrophobicContact CG2-CG 4.25Å; S626-R633 CarbonylContact C-O 3.56Å; S626-R633 WeakPolarHBondContact CA-O 3.19Å; M627-R633 HydrophobicContact CB-CB 4.37Å; M627-R633 PolarHBondContact N-O 2.93Å; D628-R633 VanDerWaalsContact OD2-CB 3.29Å; D628-R633 WeakPolarHBondContact OD2-CB 3.31Å; D628-R633 WeakPolarHBondContact OD2-CG 3.39Å; D628-R633 PolarHBondContact OD2-N 2.81Å; R633-R863 PolarHBondContact NH2-O 2.94Å
634	Y	98.7	Very high	96.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142	176.1	-72.4	-103.6	0	0	0	111.5	F602 V624 G625 S626 P631 S632 P811 Y814 M865	F602-Y634 HydrophobicContact CB-CE1 4.47Å; V624-Y634 HydrophobicContact CB-CD1 4.3Å; V624-Y634 HydrophobicContact CG2-CD1 4.04Å; G625-Y634 CarbonylContact O-C 3.54Å; G625-Y634 WeakPolarHBondContact O-CA 3.33Å; G625-Y634 WeakPolarHBondContact O-CD1 3.39Å; S626-Y634 VanDerWaalsContact N-CD1 3.3Å; P631-Y634 WeakPolarHBondContact O-CE2 3.47Å; S632-Y634 WeakPolarHBondContact O-CD2 3.37Å; Y634-P811 HydrophobicContact CE1-CB 3.76Å; Y634-P811 HydrophobicContact CE1-CG 4.39Å; Y634-Y814 HydrophobicContact CD1-CD2 4.19Å; Y634-Y814 AromaticContact CD2-CD2 3.69Å; Y634-Y814 HydrophobicContact CD2-CD2 3.69Å; Y634-Y814 AromaticContact CD2-CE2 3.42Å; Y634-Y814 HydrophobicContact CD2-CE2 3.42Å; Y634-Y814 VanDerWaalsContact CD2-CE2 3.42Å; Y634-Y814 HydrophobicContact CE2-CD2 4.16Å; Y634-Y814 AromaticContact CE2-CE2 3.73Å; Y634-Y814 HydrophobicContact CE2-CE2 3.73Å; Y634-Y814 AromaticContact CG-CD2 3.74Å; Y634-Y814 HydrophobicContact CG-CD2 3.74Å; Y634-Y814 AromaticContact CG-CE2 3.98Å; Y634-Y814 HydrophobicContact CG-CE2 3.98Å; Y634-M865 HydrophobicContact CD2-CE 4.42Å; Y634-M865 PolarHBondContact N-SD 3.14Å; Y634-M865 VanDerWaalsContact N-SD 3.42Å; Y634-M865 WeakPolarHBondContact O-CG 3.39Å
635	C	98.3	Very high	96	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	160.8	163.6	-72	0	0	0	0	110.1	V624 G625 M627 L658 Q661	V624-C635 CarbonylContact C-O 3.5Å; V624-C635 WeakPolarHBondContact CA-O 3.48Å; V624-C635 WeakPolarHBondContact CB-O 3.36Å; G625-C635 PolarHBondContact N-O 3.41Å; G625-C635 PolarHBondContact O-N 3.17Å; M627-C635 HydrophobicContact CE-CB 3.82Å; M627-C635 HydrophobicContact CG-CB 3.94Å; M627-C635 VanDerWaalsContact CG-SG 3.6Å; M627-C635 HydrophobicContact SD-CB 3.95Å; C635-L658 HydrophobicContact CB-CD2 4.15Å; C635-Q661 HydrophobicContact CB-CG 4.38Å
636	A	98.3	Very high	95.7	Very high	6 Å²	6	34.4 Å²	34.4	5%	0.05	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.3	-173.5	0	0	0	0	0	112	V624 V818 Y866 F867	V624-A636 HydrophobicContact CG1-CB 3.99Å; A636-V818 HydrophobicContact CB-CB 4.49Å; A636-V818 HydrophobicContact CB-CG1 4.11Å; A636-V818 HydrophobicContact CB-CG2 3.53Å; A636-Y866 HydrophobicContact CB-CE1 4.28Å; A636-F867 HydrophobicContact CB-CD1 3.97Å; A636-F867 HydrophobicContact CB-CE1 3.7Å
637	T	98.4	Very high	95.6	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	167.9	58.9	0	0	0	0	107.9	A622 V623 M654 E657 L658	A622-T637 WeakPolarHBondContact CA-O 3.38Å; V623-T637 PolarHBondContact N-O 3.38Å; V623-T637 PolarHBondContact O-N 2.72Å; V623-T637 PolarHBondContact O-OG1 3.41Å; T637-M654 WeakPolarHBondContact O-CE 3.37Å; T637-M654 WeakPolarHBondContact OG1-CB 3.43Å; T637-M654 VanDerWaalsContact OG1-CE 3.28Å; T637-M654 WeakPolarHBondContact OG1-CE 3.41Å; T637-E657 HydrophobicContact CG2-CB 4.01Å; T637-E657 WeakPolarHBondContact CG2-OE2 3.18Å; T637-L658 HydrophobicContact CG2-CD2 4.11Å; T637-L658 HydrophobicContact CG2-CG 3.98Å
638	V	98.1	Very high	95.6	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.1	-176.6	66.3	0	0	0	0	110.9	I620 A621 A622 V818 A822 V855	I620-V638 HydrophobicContact CG2-CG2 3.56Å; A621-V638 CarbonylContact O-C 3.57Å; A621-V638 WeakPolarHBondContact O-CA 3.25Å; A621-V638 WeakPolarHBondContact O-CG2 3.42Å; A622-V638 HydrophobicContact CB-CG2 4.44Å; V638-V818 HydrophobicContact CB-CG1 3.83Å; V638-V818 HydrophobicContact CG2-CG1 4.12Å; V638-A822 HydrophobicContact CG2-CB 3.63Å; V638-V855 HydrophobicContact CG1-CB 4.3Å; V638-V855 WeakPolarHBondContact CG1-O 3.27Å
639	R	97.3	Very high	95.6	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.177	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.6	-178.8	-62.2	-65.3	-175	-92.3	-1.8	111.1	I620 A621 D650 M654 E657	I620-R639 WeakPolarHBondContact CA-O 3.47Å; A621-R639 PolarHBondContact N-O 3.47Å; A621-R639 PolarHBondContact O-N 3.23Å; R639-D650 WeakPolarHBondContact CD-OD2 3.42Å; R639-D650 HydrophobicContact CG-CB 4.1Å; R639-D650 IonicContact CZ-OD2 3.7Å; R639-D650 IonicContact NE-OD2 3.68Å; R639-D650 PolarHBondContact NE-OD2 3.01Å; R639-D650 IonicContact NH2-OD2 2.74Å; R639-M654 HydrophobicContact CB-SD 4.37Å; R639-M654 HydrophobicContact CG-CE 4.22Å; R639-M654 HydrophobicContact CG-CG 4.07Å; R639-M654 HydrophobicContact CG-SD 3.68Å; R639-E657 IonicContact CZ-OE1 2.74Å; R639-E657 IonicContact NH2-OE1 3.53Å; R639-E657 PolarHBondContact NH2-OE1 3.26Å
640	V	96	Very high	95.6	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.2	162.4	-67.4	0	0	0	0	108.4	P618 I620 L826 H848 L851 A852 V855	P618-V640 HydrophobicContact CB-CB 4.07Å; P618-V640 HydrophobicContact CB-CG1 4.43Å; P618-V640 HydrophobicContact CG-CB 4.22Å; P618-V640 HydrophobicContact CG-CG1 4.07Å; I620-V640 HydrophobicContact CG1-CG1 4.45Å; V640-L826 HydrophobicContact CG1-CD1 4.34Å; V640-H848 PolarHBondContact O-CE1 2.81Å; V640-L851 HydrophobicContact CG1-CB 4.39Å; V640-L851 HydrophobicContact CG2-CB 4.01Å; V640-A852 HydrophobicContact CG2-CB 4.08Å; V640-V855 HydrophobicContact CG1-CG1 3.99Å; V640-V855 HydrophobicContact CG1-CG2 4.11Å
641	Q	94.4	Very high	95.7	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	-179	178.2	69.2	-177.1	40.3	0	0	111.2	P618 S619 Q645 I647	P618-Q641 WeakPolarHBondContact CB-O 3.38Å; S619-Q641 PolarHBondContact N-O 3.4Å; S619-Q641 PolarHBondContact O-N 2.74Å; Q641-Q645 PolarHBondContact NE2-O 2.85Å; Q641-I647 PolarHBondContact NE2-O 2.6Å; Q641-I647 PolarHBondContact OE1-O 3.29Å
642	Q	93	Very high	96	Very high	140 Å²	140	35.2 Å²	35.2	65%	0.654	16%	0.163	S	C	*	.	S	Bend	trans	-54.2	146.9	-175.5	-165.4	177.5	7.2	0	0	112.1	S619 R644 Q645	S619-Q642 WeakPolarHBondContact CB-O 3.32Å; S619-Q642 PolarHBondContact OG-O 3.35Å; S619-Q642 VanDerWaalsContact OG-O 3.06Å; Q642-R644 PolarHBondContact O-N 3.08Å; Q642-Q645 HydrophobicContact CB-CB 4.07Å; Q642-Q645 VanDerWaalsContact CB-OE1 3.24Å; Q642-Q645 PolarHBondContact O-N 3.48Å
643	H	90.9	Very high	96.1	Very high	59 Å²	59	38 Å²	38	27%	0.273	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	123.5	178.4	-176.8	73	0	0	0	111.2	D614 K617 Q645	D614-H643 PolarHBondContact O-CE1 2.91Å; D614-H643 PolarHBondContact O-NE2 3.35Å; D614-H643 VanDerWaalsContact O-NE2 3.13Å; K617-H643 PolarHBondContact O-ND1 3.34Å; H643-Q645 PolarHBondContact O-N 2.96Å
644	R	89.6	Confident	96.2	Very high	104 Å²	104	34 Å²	34	39%	0.392	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	26.1	178.6	-64.5	178.5	-173.6	-69.1	-13.4	115.8	P611 D614 S619 Q642	P611-R644 PolarHBondContact O-NH2 3.48Å; D614-R644 PolarHBondContact O-NH2 2.71Å; S619-R644 WeakPolarHBondContact OG-CA 3.34Å; S619-R644 PolarHBondContact OG-N 3.2Å; Q642-R644 PolarHBondContact O-N 3.08Å
645	Q	92.6	Very high	96.2	Very high	37 Å²	37	33.9 Å²	33.9	17%	0.173	16%	0.162	C	C	.	.			trans	-85.3	126.4	168.1	-172.2	-179.8	12.1	0	0	110.4	H609 Q641 Q642 H643 I647	H609-Q645 PolarHBondContact CE1-O 2.9Å; Q641-Q645 PolarHBondContact NE2-O 2.85Å; Q642-Q645 HydrophobicContact CB-CB 4.07Å; Q642-Q645 VanDerWaalsContact CB-OE1 3.24Å; Q642-Q645 PolarHBondContact O-N 3.48Å; H643-Q645 PolarHBondContact O-N 2.96Å; Q645-I647 HydrophobicContact CG-CB 4.5Å
646	D	92.5	Very high	96.2	Very high	28 Å²	28	38.1 Å²	38.1	15%	0.15	18%	0.177	C	C	.	.			trans	-83.3	-36.9	178.4	-75.9	-67.1	0	0	0	113.4	H609 I648 R677 Q684	H609-D646 IonicContact CE1-OD1 3.92Å; H609-D646 PolarHBondContact CE1-OD1 3.36Å; H609-D646 IonicContact NE2-OD1 3.43Å; H609-D646 PolarHBondContact NE2-OD1 2.99Å; D646-I648 PolarHBondContact O-N 2.79Å; D646-R677 PolarHBondContact O-NH2 2.82Å; D646-Q684 PolarHBondContact OD2-NE2 3.4Å
647	I	96.4	Very high	96.2	Very high	18 Å²	18	41.6 Å²	41.6	9%	0.092	19%	0.192	C	C	.	.	S	Bend	trans	-63.2	131.6	179	-64.2	169.5	0	0	0	109.7	Q641 Q645 Q649 Q687 V688 H691	Q641-I647 PolarHBondContact NE2-O 2.6Å; Q641-I647 PolarHBondContact OE1-O 3.29Å; Q645-I647 HydrophobicContact CG-CB 4.5Å; I647-Q649 PolarHBondContact O-N 3.3Å; I647-Q687 HydrophobicContact CD1-CG 3.85Å; I647-V688 HydrophobicContact CG1-CG2 3.95Å; I647-H691 HydrophobicContact CG2-CB 3.9Å; I647-H691 VanDerWaalsContact CG2-CG 3.45Å; I647-H691 VanDerWaalsContact CG2-ND1 3.26Å; I647-H691 WeakPolarHBondContact CG2-ND1 3.45Å
648	I	97.9	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.191	C	C	.	.			trans	-76.7	103.2	174.7	-58.7	173	0	0	0	109.2	V607 A621 V623 D646 D650 L651 M654 H691 E692	V607-I648 HydrophobicContact CG2-CD1 4.29Å; V607-I648 HydrophobicContact CG2-CG1 3.66Å; A621-I648 HydrophobicContact CB-CB 4.43Å; A621-I648 HydrophobicContact CB-CG1 4.04Å; A621-I648 HydrophobicContact CB-CG2 3.89Å; V623-I648 HydrophobicContact CG2-CD1 4.13Å; D646-I648 PolarHBondContact O-N 2.79Å; I648-D650 PolarHBondContact O-N 2.69Å; I648-L651 HydrophobicContact CB-CB 4.09Å; I648-L651 HydrophobicContact CD1-CD1 4.4Å; I648-L651 HydrophobicContact CG2-CB 3.77Å; I648-L651 HydrophobicContact CG2-CD1 4.13Å; I648-L651 HydrophobicContact CG2-CG 4.5Å; I648-M654 HydrophobicContact CG2-SD 3.88Å; I648-H691 PolarHBondContact O-CE1 3.32Å; I648-E692 WeakPolarHBondContact CG1-OE1 3.22Å; I648-E692 PolarHBondContact N-OE1 3.2Å
649	Q	96.3	Very high	96.3	Very high	107 Å²	107	41.3 Å²	41.3	50%	0.5	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.9	-171.8	-168.8	67.2	49.6	0	0	113	I647	I647-Q649 PolarHBondContact O-N 3.3Å
650	D	97.4	Very high	96.3	Very high	47 Å²	47	41.9 Å²	41.9	25%	0.251	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	27.2	-174.3	-166.7	39.1	0	0	0	112.6	R639 I648 A652 N653 M654	R639-D650 WeakPolarHBondContact CD-OD2 3.42Å; R639-D650 HydrophobicContact CG-CB 4.1Å; R639-D650 IonicContact CZ-OD2 3.7Å; R639-D650 IonicContact NE-OD2 3.68Å; R639-D650 PolarHBondContact NE-OD2 3.01Å; R639-D650 IonicContact NH2-OD2 2.74Å; I648-D650 PolarHBondContact O-N 2.69Å; D650-A652 VanDerWaalsContact C-N 3.31Å; D650-A652 PolarHBondContact O-N 3.27Å; D650-N653 PolarHBondContact O-N 2.84Å; D650-N653 WeakPolarHBondContact OD1-CB 3.32Å; D650-N653 PolarHBondContact OD1-ND2 2.98Å; D650-M654 VanDerWaalsContact O-CG 3.3Å; D650-M654 WeakPolarHBondContact O-CG 3.44Å; D650-M654 PolarHBondContact O-N 2.72Å
651	L	98.6	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-38.8	-172.1	-176.3	61.2	0	0	0	112.7	V623 I648 N653 M654 V655 E692 A695 I696	V623-L651 HydrophobicContact CG2-CD1 3.63Å; I648-L651 HydrophobicContact CB-CB 4.09Å; I648-L651 HydrophobicContact CD1-CD1 4.4Å; I648-L651 HydrophobicContact CG2-CB 3.77Å; I648-L651 HydrophobicContact CG2-CD1 4.13Å; I648-L651 HydrophobicContact CG2-CG 4.5Å; L651-N653 VanDerWaalsContact C-N 3.35Å; L651-N653 PolarHBondContact O-N 2.92Å; L651-M654 PolarHBondContact O-N 3.27Å; L651-V655 HydrophobicContact CD1-CG2 3.72Å; L651-V655 HydrophobicContact CG-CG2 3.97Å; L651-V655 WeakPolarHBondContact O-CB 3.49Å; L651-V655 VanDerWaalsContact O-CG2 3.28Å; L651-V655 WeakPolarHBondContact O-CG2 3.41Å; L651-V655 PolarHBondContact O-N 2.85Å; L651-E692 HydrophobicContact CD2-CB 3.46Å; L651-E692 VanDerWaalsContact CD2-CB 3.46Å; L651-E692 HydrophobicContact CD2-CG 3.66Å; L651-A695 HydrophobicContact CB-CB 3.92Å; L651-A695 HydrophobicContact CD2-CB 4.24Å; L651-A695 HydrophobicContact CG-CB 4.25Å; L651-I696 HydrophobicContact CD2-CD1 4.42Å; L651-I696 HydrophobicContact CD2-CG1 4.09Å
652	A	98.6	Very high	96.6	Very high	10 Å²	10	42.6 Å²	42.6	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-44.6	-178.1	0	0	0	0	0	112	D650 R656 A695 E698 A699	D650-A652 VanDerWaalsContact C-N 3.31Å; D650-A652 PolarHBondContact O-N 3.27Å; A652-R656 VanDerWaalsContact O-CB 3.27Å; A652-R656 WeakPolarHBondContact O-CB 3.2Å; A652-R656 PolarHBondContact O-N 2.8Å; A652-A695 WeakPolarHBondContact CA-O 3.4Å; A652-A695 HydrophobicContact CB-CB 4.1Å; A652-A695 WeakPolarHBondContact CB-O 3.22Å; A652-E698 HydrophobicContact CB-CB 4.44Å; A652-E698 HydrophobicContact CB-CG 4.44Å; A652-A699 WeakPolarHBondContact O-CB 3.29Å
653	N	98.3	Very high	96.9	Very high	66 Å²	66	40.9 Å²	40.9	35%	0.353	19%	0.187	S	C	.	.	H	α-helix	trans	-70.2	-41.6	178.1	-69.3	-38.6	0	0	0	111.6	D650 L651 V655 R656 E657	D650-N653 PolarHBondContact O-N 2.84Å; D650-N653 WeakPolarHBondContact OD1-CB 3.32Å; D650-N653 PolarHBondContact OD1-ND2 2.98Å; L651-N653 VanDerWaalsContact C-N 3.35Å; L651-N653 PolarHBondContact O-N 2.92Å; N653-V655 PolarHBondContact O-N 2.86Å; N653-R656 WeakPolarHBondContact O-CB 3.19Å; N653-R656 PolarHBondContact O-N 2.79Å; N653-E657 WeakPolarHBondContact O-CG 3.2Å; N653-E657 PolarHBondContact O-N 2.99Å
654	M	98.7	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-46.4	176.3	-68	174.4	84.1	0	0	111.8	V623 T637 R639 I648 D650 L651 E657 L658	V623-M654 HydrophobicContact CB-CB 4.42Å; V623-M654 HydrophobicContact CB-CE 3.83Å; V623-M654 HydrophobicContact CG2-CB 4.33Å; V623-M654 HydrophobicContact CG2-CE 3.51Å; V623-M654 HydrophobicContact CG2-SD 3.99Å; T637-M654 WeakPolarHBondContact O-CE 3.37Å; T637-M654 WeakPolarHBondContact OG1-CB 3.43Å; T637-M654 VanDerWaalsContact OG1-CE 3.28Å; T637-M654 WeakPolarHBondContact OG1-CE 3.41Å; R639-M654 HydrophobicContact CB-SD 4.37Å; R639-M654 HydrophobicContact CG-CE 4.22Å; R639-M654 HydrophobicContact CG-CG 4.07Å; R639-M654 HydrophobicContact CG-SD 3.68Å; I648-M654 HydrophobicContact CG2-SD 3.88Å; D650-M654 VanDerWaalsContact O-CG 3.3Å; D650-M654 WeakPolarHBondContact O-CG 3.44Å; D650-M654 PolarHBondContact O-N 2.72Å; L651-M654 PolarHBondContact O-N 3.27Å; M654-E657 PolarHBondContact O-N 3.25Å; M654-L658 WeakPolarHBondContact O-CG 3.37Å; M654-L658 PolarHBondContact O-N 3.1Å
655	V	98.9	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-42.5	177.4	172.7	0	0	0	0	110.9	L603 L651 N653 E657 L658 L659 I696 A699	L603-V655 HydrophobicContact CD1-CG1 4.32Å; L603-V655 HydrophobicContact CD1-CG2 4.2Å; L651-V655 HydrophobicContact CD1-CG2 3.72Å; L651-V655 HydrophobicContact CG-CG2 3.97Å; L651-V655 WeakPolarHBondContact O-CB 3.49Å; L651-V655 VanDerWaalsContact O-CG2 3.28Å; L651-V655 WeakPolarHBondContact O-CG2 3.41Å; L651-V655 PolarHBondContact O-N 2.85Å; N653-V655 PolarHBondContact O-N 2.86Å; V655-E657 VanDerWaalsContact C-N 3.35Å; V655-E657 PolarHBondContact O-N 2.8Å; V655-L658 PolarHBondContact O-N 3.5Å; V655-L658 VanDerWaalsContact O-N 3.16Å; V655-L659 HydrophobicContact CG1-CD1 3.86Å; V655-L659 HydrophobicContact CG1-CG 4.17Å; V655-L659 WeakPolarHBondContact O-CG 3.49Å; V655-L659 PolarHBondContact O-N 2.85Å; V655-I696 HydrophobicContact CG1-CG2 4.43Å; V655-I696 HydrophobicContact CG2-CG1 4.11Å; V655-A699 HydrophobicContact CB-CB 3.92Å; V655-A699 HydrophobicContact CG1-CB 3.79Å
656	R	98.7	Very high	97.8	Very high	96 Å²	96	40.6 Å²	40.6	36%	0.362	20%	0.197	S	C	.	.	H	α-helix	trans	-56.3	-47.2	176	179.2	-177.8	174.3	158.5	3.9	111.9	A652 N653 L658 L659 I660 A699 L703	A652-R656 VanDerWaalsContact O-CB 3.27Å; A652-R656 WeakPolarHBondContact O-CB 3.2Å; A652-R656 PolarHBondContact O-N 2.8Å; N653-R656 WeakPolarHBondContact O-CB 3.19Å; N653-R656 PolarHBondContact O-N 2.79Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 2.83Å; R656-L659 PolarHBondContact O-N 3.36Å; R656-I660 HydrophobicContact CG-CD1 4Å; R656-I660 VanDerWaalsContact O-CG1 3.31Å; R656-I660 WeakPolarHBondContact O-CG1 3.26Å; R656-I660 PolarHBondContact O-N 3.14Å; R656-A699 HydrophobicContact CB-CB 4.23Å; R656-L703 HydrophobicContact CG-CD1 4.36Å; R656-L703 HydrophobicContact CG-CD2 3.82Å; R656-L703 HydrophobicContact CG-CG 4.04Å
657	E	98.4	Very high	98.1	Very high	80 Å²	80	47.8 Å²	47.8	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-44.4	176.8	-75.1	176.5	-147.1	0	0	111.7	T637 R639 N653 M654 V655 I660 Q661	T637-E657 HydrophobicContact CG2-CB 4.01Å; T637-E657 WeakPolarHBondContact CG2-OE2 3.18Å; R639-E657 IonicContact CZ-OE1 2.74Å; R639-E657 IonicContact NH2-OE1 3.53Å; R639-E657 PolarHBondContact NH2-OE1 3.26Å; N653-E657 WeakPolarHBondContact O-CG 3.2Å; N653-E657 PolarHBondContact O-N 2.99Å; M654-E657 PolarHBondContact O-N 3.25Å; V655-E657 VanDerWaalsContact C-N 3.35Å; V655-E657 PolarHBondContact O-N 2.8Å; E657-I660 PolarHBondContact O-N 2.96Å; E657-Q661 WeakPolarHBondContact O-CB 3.38Å; E657-Q661 PolarHBondContact O-N 2.89Å
658	L	98.8	Very high	98.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-40.3	179.6	-67.4	171.4	0	0	0	112.4	L603 V623 M627 C635 T637 M654 V655 R656 Q661 F662	L603-L658 HydrophobicContact CD2-CB 4.48Å; L603-L658 HydrophobicContact CD2-CD1 3.94Å; V623-L658 HydrophobicContact CB-CD1 4.28Å; V623-L658 HydrophobicContact CG1-CD1 3.68Å; M627-L658 HydrophobicContact CE-CB 4.39Å; M627-L658 HydrophobicContact CE-CD2 3.87Å; C635-L658 HydrophobicContact CB-CD2 4.15Å; T637-L658 HydrophobicContact CG2-CD2 4.11Å; T637-L658 HydrophobicContact CG2-CG 3.98Å; M654-L658 WeakPolarHBondContact O-CG 3.37Å; M654-L658 PolarHBondContact O-N 3.1Å; V655-L658 PolarHBondContact O-N 3.5Å; V655-L658 VanDerWaalsContact O-N 3.16Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 2.83Å; L658-Q661 PolarHBondContact O-N 3.21Å; L658-F662 WeakPolarHBondContact O-CB 3.34Å; L658-F662 PolarHBondContact O-N 3.22Å
659	L	98.8	Very high	98.2	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-43.1	176	-71.4	173.2	0	0	0	111.7	I601 V655 R656 Q661 F662 Y663 P670 I673 L703 Y707	I601-L659 HydrophobicContact CD1-CD2 4.31Å; I601-L659 HydrophobicContact CG2-CD2 4.19Å; V655-L659 HydrophobicContact CG1-CD1 3.86Å; V655-L659 HydrophobicContact CG1-CG 4.17Å; V655-L659 WeakPolarHBondContact O-CG 3.49Å; V655-L659 PolarHBondContact O-N 2.85Å; R656-L659 PolarHBondContact O-N 3.36Å; L659-Q661 VanDerWaalsContact C-N 3.32Å; L659-Q661 PolarHBondContact O-N 2.67Å; L659-F662 PolarHBondContact O-N 2.75Å; L659-Y663 PolarHBondContact O-N 2.81Å; L659-P670 HydrophobicContact CD2-CG 3.9Å; L659-I673 HydrophobicContact CD2-CD1 4.3Å; L659-L703 HydrophobicContact CB-CD1 3.63Å; L659-L703 HydrophobicContact CD1-CD1 3.66Å; L659-L703 HydrophobicContact CG-CD1 4.31Å; L659-Y707 HydrophobicContact CD1-CE1 4.34Å
660	I	98.6	Very high	98.3	Very high	59 Å²	59	52.3 Å²	52.3	30%	0.303	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-44.9	174.1	-68.3	167.4	0	0	0	110.3	R656 E657 Y663 K664 L703	R656-I660 HydrophobicContact CG-CD1 4Å; R656-I660 VanDerWaalsContact O-CG1 3.31Å; R656-I660 WeakPolarHBondContact O-CG1 3.26Å; R656-I660 PolarHBondContact O-N 3.14Å; E657-I660 PolarHBondContact O-N 2.96Å; I660-Y663 PolarHBondContact O-N 3.22Å; I660-K664 HydrophobicContact CG2-CD 4.1Å; I660-K664 WeakPolarHBondContact O-CG 3.19Å; I660-K664 PolarHBondContact O-N 3.44Å; I660-L703 HydrophobicContact CD1-CD2 3.81Å; I660-L703 HydrophobicContact CG1-CD2 3.57Å
661	Q	98.3	Very high	98.4	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-69.7	-34.1	-179.1	-170.6	54	45.8	0	0	112.1	M627 C635 E657 L658 L659 K664 S665	M627-Q661 HydrophobicContact SD-CB 4.03Å; M627-Q661 HydrophobicContact SD-CG 3.7Å; C635-Q661 HydrophobicContact CB-CG 4.38Å; E657-Q661 WeakPolarHBondContact O-CB 3.38Å; E657-Q661 PolarHBondContact O-N 2.89Å; L658-Q661 PolarHBondContact O-N 3.21Å; L659-Q661 VanDerWaalsContact C-N 3.32Å; L659-Q661 PolarHBondContact O-N 2.67Å; Q661-K664 PolarHBondContact O-N 3.31Å; Q661-S665 PolarHBondContact NE2-OG 3.32Å; Q661-S665 WeakPolarHBondContact O-CB 3.48Å; Q661-S665 PolarHBondContact O-N 3.24Å; Q661-S665 PolarHBondContact O-OG 2.61Å
662	F	98.6	Very high	98.4	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-49.8	172	-178.7	-84.9	0	0	0	110.9	I601 S626 L658 L659 K664 S665 T666 F668 P670	I601-F662 HydrophobicContact CB-CD2 4.05Å; I601-F662 HydrophobicContact CB-CE2 4.12Å; I601-F662 HydrophobicContact CD1-CB 3.92Å; I601-F662 HydrophobicContact CD1-CD2 3.93Å; I601-F662 HydrophobicContact CD1-CG 4.13Å; I601-F662 HydrophobicContact CG1-CD2 3.87Å; I601-F662 HydrophobicContact CG1-CE2 4.33Å; I601-F662 HydrophobicContact CG1-CG 4.5Å; S626-F662 VanDerWaalsContact O-CD2 3.27Å; S626-F662 WeakPolarHBondContact O-CD2 3.38Å; L658-F662 WeakPolarHBondContact O-CB 3.34Å; L658-F662 PolarHBondContact O-N 3.22Å; L659-F662 PolarHBondContact O-N 2.75Å; F662-K664 VanDerWaalsContact C-N 3.32Å; F662-K664 PolarHBondContact O-N 3.41Å; F662-S665 PolarHBondContact O-N 3.45Å; F662-S665 VanDerWaalsContact O-N 3.09Å; F662-T666 HydrophobicContact CD1-CG2 4.39Å; F662-T666 WeakPolarHBondContact CD1-OG1 3.41Å; F662-T666 HydrophobicContact CD2-CG2 4.29Å; F662-T666 HydrophobicContact CE1-CG2 4.13Å; F662-T666 VanDerWaalsContact CE1-OG1 3.22Å; F662-T666 WeakPolarHBondContact CE1-OG1 3.09Å; F662-T666 HydrophobicContact CE2-CG2 4.03Å; F662-T666 HydrophobicContact CG-CG2 4.48Å; F662-T666 HydrophobicContact CZ-CG2 3.95Å; F662-T666 PolarHBondContact O-N 3.47Å; F662-T666 PolarHBondContact O-OG1 2.82Å; F662-F668 VanDerWaalsContact CD1-O 3.28Å; F662-F668 WeakPolarHBondContact CD1-O 3.4Å; F662-F668 HydrophobicContact CE1-CB 4.32Å; F662-F668 WeakPolarHBondContact CE1-O 3.3Å; F662-P670 HydrophobicContact CD1-CG 3.52Å; F662-P670 HydrophobicContact CE1-CG 3.61Å; F662-P670 HydrophobicContact CG-CG 4.06Å; F662-P670 HydrophobicContact CZ-CG 4.22Å
663	Y	98.5	Very high	98.4	Very high	104 Å²	104	54.9 Å²	54.9	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-61.5	-40.4	177.6	-178.6	-104.3	0	0	0	111.9	L659 I660 S665 R667 K669	L659-Y663 PolarHBondContact O-N 2.81Å; I660-Y663 PolarHBondContact O-N 3.22Å; Y663-S665 VanDerWaalsContact C-N 3.28Å; Y663-S665 PolarHBondContact O-N 3.36Å; Y663-R667 WeakPolarHBondContact O-CA 3.42Å; Y663-R667 PolarHBondContact O-N 2.93Å; Y663-K669 HydrophobicContact CD2-CG 4.02Å; Y663-K669 HydrophobicContact CE2-CG 4.22Å
664	K	97.9	Very high	98.4	Very high	108 Å²	108	51.7 Å²	51.7	47%	0.47	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-36.1	174.6	-74.9	174.8	-178.9	175.6	0	112.8	I660 Q661 F662	I660-K664 HydrophobicContact CG2-CD 4.1Å; I660-K664 WeakPolarHBondContact O-CG 3.19Å; I660-K664 PolarHBondContact O-N 3.44Å; Q661-K664 PolarHBondContact O-N 3.31Å; F662-K664 VanDerWaalsContact C-N 3.32Å; F662-K664 PolarHBondContact O-N 3.41Å
665	S	97	Very high	98.5	Very high	60 Å²	60	51.7 Å²	51.7	42%	0.42	23%	0.233	S	C	.	.	H	α-helix	trans	-82.6	-35	-176	-50.4	0	0	0	0	112.7	M627 Q661 F662 Y663	M627-S665 VanDerWaalsContact O-CB 3.3Å; M627-S665 WeakPolarHBondContact O-CB 3.46Å; Q661-S665 PolarHBondContact NE2-OG 3.32Å; Q661-S665 WeakPolarHBondContact O-CB 3.48Å; Q661-S665 PolarHBondContact O-N 3.24Å; Q661-S665 PolarHBondContact O-OG 2.61Å; F662-S665 PolarHBondContact O-N 3.45Å; F662-S665 VanDerWaalsContact O-N 3.09Å; Y663-S665 VanDerWaalsContact C-N 3.28Å; Y663-S665 PolarHBondContact O-N 3.36Å
666	T	97.8	Very high	98.5	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.16	23%	0.233	C	C	.	.	H	α-helix	trans	-113	-20.2	-170.6	66.7	0	0	0	0	114.2	M627 F662 F668	M627-T666 WeakPolarHBondContact O-CG2 3.29Å; F662-T666 HydrophobicContact CD1-CG2 4.39Å; F662-T666 WeakPolarHBondContact CD1-OG1 3.41Å; F662-T666 HydrophobicContact CD2-CG2 4.29Å; F662-T666 HydrophobicContact CE1-CG2 4.13Å; F662-T666 VanDerWaalsContact CE1-OG1 3.22Å; F662-T666 WeakPolarHBondContact CE1-OG1 3.09Å; F662-T666 HydrophobicContact CE2-CG2 4.03Å; F662-T666 HydrophobicContact CG-CG2 4.48Å; F662-T666 HydrophobicContact CZ-CG2 3.95Å; F662-T666 PolarHBondContact O-N 3.47Å; F662-T666 PolarHBondContact O-OG1 2.82Å; T666-F668 WeakPolarHBondContact O-CD2 3.4Å; T666-F668 PolarHBondContact O-N 3.42Å; T666-F668 PolarHBondContact OG1-N 3.36Å; T666-F668 VanDerWaalsContact OG1-N 3.13Å; T666-F668 PolarHBondContact OG1-O 3.34Å
667	R	98.3	Very high	98.4	Very high	178 Å²	178	47.2 Å²	47.2	67%	0.672	22%	0.216	S	C	*	.	S	Bend	trans	61.5	14.4	-167.1	-54.2	-59.2	-176.8	167.1	1.8	115	Y663	Y663-R667 WeakPolarHBondContact O-CA 3.42Å; Y663-R667 PolarHBondContact O-N 2.93Å
668	F	98.3	Very high	98.2	Very high	126 Å²	126	44.4 Å²	44.4	55%	0.553	20%	0.203	S	C	*	.			trans	-111.9	145.2	174.3	-68.9	-78.3	0	0	0	111.3	P599 F662 T666	P599-F668 HydrophobicContact CB-CB 3.73Å; P599-F668 HydrophobicContact CB-CG 4.34Å; P599-F668 HydrophobicContact CG-CB 3.67Å; P599-F668 HydrophobicContact CG-CD1 3.67Å; P599-F668 HydrophobicContact CG-CG 3.8Å; F662-F668 VanDerWaalsContact CD1-O 3.28Å; F662-F668 WeakPolarHBondContact CD1-O 3.4Å; F662-F668 HydrophobicContact CE1-CB 4.32Å; F662-F668 WeakPolarHBondContact CE1-O 3.3Å; T666-F668 WeakPolarHBondContact O-CD2 3.4Å; T666-F668 PolarHBondContact O-N 3.42Å; T666-F668 PolarHBondContact OG1-N 3.36Å; T666-F668 VanDerWaalsContact OG1-N 3.13Å; T666-F668 PolarHBondContact OG1-O 3.34Å
669	K	98.3	Very high	97.2	Very high	92 Å²	92	46.3 Å²	46.3	40%	0.4	22%	0.224	S	C	.	.			trans	-87.7	127.9	165.3	-61.1	-178.7	-171.5	172.2	0	107.8	P599 Y663 T671 E704 Y707	P599-K669 WeakPolarHBondContact CB-O 3.39Å; Y663-K669 HydrophobicContact CD2-CG 4.02Å; Y663-K669 HydrophobicContact CE2-CG 4.22Å; K669-T671 PolarHBondContact O-N 2.95Å; K669-E704 WeakPolarHBondContact CE-OE2 3.07Å; K669-E704 IonicContact NZ-OE1 3.49Å; K669-E704 PolarHBondContact NZ-OE1 2.96Å; K669-E704 IonicContact NZ-OE2 3.19Å; K669-E704 PolarHBondContact NZ-OE2 2.95Å; K669-Y707 HydrophobicContact CB-CE2 4.23Å
670	P	98.4	Very high	96.9	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.019	22%	0.223	C	C	.	.			trans	-56.9	129.4	174.9	-24.5	33	0	0	0	111.2	P599 I601 L659 F662 Y707 P709	P599-P670 CarbonylContact O-C 3.45Å; P599-P670 WeakPolarHBondContact O-CA 3.31Å; I601-P670 HydrophobicContact CB-CB 4.19Å; I601-P670 HydrophobicContact CB-CG 3.91Å; I601-P670 HydrophobicContact CG2-CB 3.8Å; I601-P670 HydrophobicContact CG2-CG 3.8Å; L659-P670 HydrophobicContact CD2-CG 3.9Å; F662-P670 HydrophobicContact CD1-CG 3.52Å; F662-P670 HydrophobicContact CE1-CG 3.61Å; F662-P670 HydrophobicContact CG-CG 4.06Å; F662-P670 HydrophobicContact CZ-CG 4.22Å; P670-Y707 WeakPolarHBondContact CD-OH 3.44Å; P670-Y707 VanDerWaalsContact O-CE2 3.28Å; P670-Y707 WeakPolarHBondContact O-CE2 3.4Å; P670-Y707 PolarHBondContact O-OH 2.9Å; P670-P709 WeakPolarHBondContact O-CB 3.33Å
671	T	98.6	Very high	96.3	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.331	23%	0.228	S	C	.	.	S	Bend	trans	-84	-21.8	168.1	57.5	0	0	0	0	111.3	Q598 P599 K669 P709 G710	Q598-T671 HydrophobicContact CB-CG2 4.42Å; Q598-T671 WeakPolarHBondContact CB-OG1 3.4Å; Q598-T671 PolarHBondContact OE1-OG1 3.39Å; P599-T671 PolarHBondContact O-N 3.37Å; P599-T671 PolarHBondContact O-OG1 3.37Å; K669-T671 PolarHBondContact O-N 2.95Å; T671-P709 CarbonylContact O-C 3.56Å; T671-P709 VanDerWaalsContact O-CA 3.3Å; T671-P709 WeakPolarHBondContact O-CA 3.27Å; T671-P709 WeakPolarHBondContact O-CB 3.26Å; T671-G710 PolarHBondContact O-N 3.17Å
672	R	98.7	Very high	95.8	Very high	56 Å²	56	48 Å²	48	21%	0.211	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.2	-179.1	-55	-171.7	176.5	87.8	8.5	111.6	Q598 V600 I601 G710 N781	Q598-R672 VanDerWaalsContact OE1-CZ 3.29Å; Q598-R672 VanDerWaalsContact OE1-NH1 3.07Å; Q598-R672 VanDerWaalsContact OE1-NH2 3.09Å; V600-R672 WeakPolarHBondContact CA-O 3.49Å; V600-R672 HydrophobicContact CB-CB 4.27Å; V600-R672 HydrophobicContact CG2-CB 3.97Å; I601-R672 PolarHBondContact N-O 2.89Å; I601-R672 VanDerWaalsContact N-O 3.09Å; R672-G710 CarbonylContact C-O 3.52Å; R672-G710 WeakPolarHBondContact CA-O 3.41Å; R672-N781 VanDerWaalsContact CD-OD1 3.27Å; R672-N781 WeakPolarHBondContact CD-OD1 3.18Å; R672-N781 WeakPolarHBondContact CG-OD1 3.34Å
673	I	98.9	Very high	95.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.5	173.1	-59	179.4	0	0	0	108.3	I601 L603 L659 I696 P709 G710 I711 T712	I601-I673 HydrophobicContact CG2-CB 4.24Å; I601-I673 HydrophobicContact CG2-CG1 3.8Å; I601-I673 HydrophobicContact CG2-CG2 4.25Å; L603-I673 HydrophobicContact CD1-CG2 3.61Å; L603-I673 HydrophobicContact CG-CG2 4.09Å; L659-I673 HydrophobicContact CD2-CD1 4.3Å; I673-I696 HydrophobicContact CD1-CG2 3.95Å; I673-I696 HydrophobicContact CG2-CG2 4.43Å; I673-P709 HydrophobicContact CD1-CB 4.41Å; I673-P709 HydrophobicContact CD1-CG 3.62Å; I673-P709 HydrophobicContact CG1-CB 4.22Å; I673-P709 HydrophobicContact CG1-CG 3.98Å; I673-G710 PolarHBondContact N-O 3.45Å; I673-I711 HydrophobicContact CB-CG1 4.38Å; I673-I711 WeakPolarHBondContact O-CA 3.45Å; I673-T712 PolarHBondContact O-N 3.23Å
674	I	98.9	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.1	175.7	-47.7	-56.1	0	0	0	108.3	V600 I601 F602 L603 Y676 F783	V600-I674 HydrophobicContact CG2-CG1 3.73Å; I601-I674 PolarHBondContact O-N 3.32Å; F602-I674 HydrophobicContact CD1-CB 3.81Å; F602-I674 HydrophobicContact CD1-CG1 4.15Å; F602-I674 HydrophobicContact CD1-CG2 4.22Å; F602-I674 HydrophobicContact CE1-CB 4.06Å; F602-I674 HydrophobicContact CE1-CG1 3.91Å; F602-I674 HydrophobicContact CE1-CG2 4.42Å; L603-I674 PolarHBondContact N-O 2.93Å; I674-Y676 HydrophobicContact CG2-CD2 4.31Å; I674-Y676 HydrophobicContact CG2-CE2 3.73Å; I674-F783 HydrophobicContact CD1-CE2 3.55Å; I674-F783 HydrophobicContact CD1-CZ 3.73Å
675	Y	98.9	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111	-172	-177.8	-131.1	0	0	0	111.9	L603 S605 R677 E692 I696 T712 F713 V714	L603-Y675 HydrophobicContact CB-CD2 3.62Å; L603-Y675 HydrophobicContact CB-CE2 4.37Å; L603-Y675 HydrophobicContact CD1-CD2 4.41Å; S605-Y675 WeakPolarHBondContact CB-OH 3.42Å; S605-Y675 WeakPolarHBondContact OG-CE2 3.27Å; S605-Y675 PolarHBondContact OG-OH 3.16Å; Y675-R677 HydrophobicContact CD1-CB 4.38Å; Y675-R677 HydrophobicContact CE1-CB 4.01Å; Y675-R677 HydrophobicContact CE1-CG 4.33Å; Y675-R677 WeakPolarHBondContact OH-CD 3.31Å; Y675-E692 PolarHBondContact OH-OE2 2.79Å; Y675-I696 HydrophobicContact CD1-CD1 3.74Å; Y675-I696 HydrophobicContact CE1-CD1 4.02Å; Y675-I696 HydrophobicContact CG-CD1 4.06Å; Y675-T712 PolarHBondContact N-O 3.31Å; Y675-F713 HydrophobicContact CD1-CD1 4.24Å; Y675-F713 AromaticContact CD1-CD2 3.59Å; Y675-F713 HydrophobicContact CD1-CD2 3.59Å; Y675-F713 HydrophobicContact CD1-CE1 4.14Å; Y675-F713 AromaticContact CD1-CE2 3.49Å; Y675-F713 HydrophobicContact CD1-CE2 3.49Å; Y675-F713 VanDerWaalsContact CD1-CE2 3.49Å; Y675-F713 AromaticContact CD1-CG 3.97Å; Y675-F713 HydrophobicContact CD1-CG 3.97Å; Y675-F713 AromaticContact CD1-CZ 3.77Å; Y675-F713 HydrophobicContact CD1-CZ 3.77Å; Y675-F713 HydrophobicContact CE1-CD2 4.05Å; Y675-F713 HydrophobicContact CE1-CE1 4.19Å; Y675-F713 AromaticContact CE1-CE2 3.43Å; Y675-F713 HydrophobicContact CE1-CE2 3.43Å; Y675-F713 VanDerWaalsContact CE1-CE2 3.43Å; Y675-F713 AromaticContact CE1-CZ 3.5Å; Y675-F713 HydrophobicContact CE1-CZ 3.5Å; Y675-V714 PolarHBondContact O-N 3.29Å
676	Y	98.9	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.5	172.6	-71	-83.3	0	0	0	111	L603 G604 S605 I674 V714 V716 Y774 T792 L795 P809 P811	L603-Y676 PolarHBondContact O-N 2.8Å; G604-Y676 CarbonylContact C-O 3.37Å; G604-Y676 WeakPolarHBondContact CA-O 3.45Å; S605-Y676 PolarHBondContact N-O 3.3Å; I674-Y676 HydrophobicContact CG2-CD2 4.31Å; I674-Y676 HydrophobicContact CG2-CE2 3.73Å; Y676-V714 CarbonylContact C-O 3.6Å; Y676-V714 WeakPolarHBondContact CA-O 3.4Å; Y676-V714 HydrophobicContact CD1-CB 3.95Å; Y676-V714 HydrophobicContact CD1-CG1 4.09Å; Y676-V714 HydrophobicContact CE1-CB 4.08Å; Y676-V714 HydrophobicContact CE1-CG1 4.03Å; Y676-V714 HydrophobicContact CE1-CG2 4.43Å; Y676-V716 HydrophobicContact CD1-CG2 3.63Å; Y676-V716 HydrophobicContact CG-CG2 4.35Å; Y676-Y774 HydrophobicContact CD1-CD1 4.5Å; Y676-Y774 HydrophobicContact CE1-CD1 4.24Å; Y676-Y774 HydrophobicContact CE1-CE1 4.31Å; Y676-T792 HydrophobicContact CE1-CG2 4.12Å; Y676-T792 PolarHBondContact OH-OG1 3.29Å; Y676-L795 HydrophobicContact CD2-CD1 4.41Å; Y676-L795 HydrophobicContact CE2-CD1 3.49Å; Y676-L795 VanDerWaalsContact CE2-CD1 3.49Å; Y676-P809 HydrophobicContact CD1-CG 3.97Å; Y676-P809 HydrophobicContact CE1-CG 3.88Å; Y676-P809 HydrophobicContact CG-CG 4.35Å; Y676-P811 HydrophobicContact CD2-CG 4.19Å
677	R	98.2	Very high	94	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.8	-174.6	-179	64.2	-179.7	90.9	8.3	111.4	S605 D646 Y675 I680 E692 F713 V714 V715 V716	S605-R677 WeakPolarHBondContact OG-CD 3.47Å; D646-R677 PolarHBondContact O-NH2 2.82Å; Y675-R677 HydrophobicContact CD1-CB 4.38Å; Y675-R677 HydrophobicContact CE1-CB 4.01Å; Y675-R677 HydrophobicContact CE1-CG 4.33Å; Y675-R677 WeakPolarHBondContact OH-CD 3.31Å; R677-I680 HydrophobicContact CB-CD1 4.42Å; R677-I680 HydrophobicContact CG-CD1 3.19Å; R677-I680 HydrophobicContact CG-CG1 4.02Å; R677-E692 VanDerWaalsContact CD-OE2 3.25Å; R677-E692 WeakPolarHBondContact CD-OE2 3.11Å; R677-E692 IonicContact CZ-OE1 3.51Å; R677-E692 IonicContact NE-OE1 3.81Å; R677-E692 PolarHBondContact NE-OE1 3Å; R677-E692 IonicContact NE-OE2 3.17Å; R677-E692 PolarHBondContact NE-OE2 3.39Å; R677-E692 IonicContact NH2-OE1 3.59Å; R677-F713 HydrophobicContact CB-CE1 3.73Å; R677-F713 HydrophobicContact CB-CZ 4.11Å; R677-F713 HydrophobicContact CG-CE1 4.02Å; R677-F713 HydrophobicContact CG-CZ 4.06Å; R677-V714 PolarHBondContact N-O 3.41Å; R677-V715 CarbonylContact O-C 3.5Å; R677-V715 WeakPolarHBondContact O-CA 3.26Å; R677-V716 PolarHBondContact O-N 3.31Å
678	D	93.5	Very high	93.8	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.2	-178.4	-170.3	15.9	0	0	0	112.8	S605 V716	S605-D678 PolarHBondContact O-N 3.36Å; D678-V716 WeakPolarHBondContact CA-O 2.91Å; D678-V716 VanDerWaalsContact OD1-O 3.12Å
679	G	78.9	Confident	93.7	Very high	43 Å²	43	35.5 Å²	35.5	44%	0.443	21%	0.213	S	C	.	.	S	Bend	trans	91.7	9.9	164.7	0	0	0	0	0	116.8	V716	G679-V716 PolarHBondContact N-O 3Å
680	I	91.4	Very high	93.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	21%	0.206	C	C	.	.			trans	-91.7	139.6	175.3	-55.5	170.2	0	0	0	110.7	R677 Q684 F685 V688 V715 Q717	R677-I680 HydrophobicContact CB-CD1 4.42Å; R677-I680 HydrophobicContact CG-CD1 3.19Å; R677-I680 HydrophobicContact CG-CG1 4.02Å; I680-Q684 HydrophobicContact CG2-CB 3.82Å; I680-F685 HydrophobicContact CG2-CD1 3.85Å; I680-F685 HydrophobicContact CG2-CE1 4.18Å; I680-V688 HydrophobicContact CD1-CB 3.87Å; I680-V688 HydrophobicContact CD1-CG1 3.32Å; I680-V688 HydrophobicContact CD1-CG2 4.11Å; I680-V688 HydrophobicContact CG1-CG1 4.35Å; I680-V688 HydrophobicContact CG1-CG2 4.44Å; I680-V688 HydrophobicContact CG2-CB 4.46Å; I680-V688 HydrophobicContact CG2-CG2 4.03Å; I680-V715 HydrophobicContact CB-CG1 4.33Å; I680-V715 HydrophobicContact CD1-CG2 4.3Å; I680-Q717 PolarHBondContact O-NE2 3.27Å
681	S	86.6	Confident	93.4	Very high	57 Å²	57	36.5 Å²	36.5	40%	0.399	22%	0.219	S	C	.	.			trans	-89.5	153.1	171.2	72.5	0	0	0	0	112.5	G683 Q684 F685	S681-G683 PolarHBondContact O-N 2.74Å; S681-G683 VanDerWaalsContact O-N 3.15Å; S681-Q684 WeakPolarHBondContact O-CB 3.18Å; S681-Q684 PolarHBondContact O-N 2.96Å; S681-Q684 PolarHBondContact OG-OE1 3.13Å; S681-F685 VanDerWaalsContact O-CD1 3.27Å; S681-F685 WeakPolarHBondContact O-CD1 3.35Å
682	E	87.1	Confident	93.4	Very high	69 Å²	69	34 Å²	34	32%	0.322	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-53.6	-38	-178.5	-72.3	163.7	-168.7	0	0	113.6	R216 Q684 F685	R216-E682 IonicContact CZ-OE1 2.79Å; R216-E682 VanDerWaalsContact CZ-OE1 3.24Å; R216-E682 IonicContact CZ-OE2 2.75Å; R216-E682 VanDerWaalsContact NH1-CD 3.33Å; R216-E682 IonicContact NH1-OE1 2.69Å; R216-E682 PolarHBondContact NH1-OE1 3.06Å; R216-E682 IonicContact NH1-OE2 2.6Å; R216-E682 PolarHBondContact NH1-OE2 2.8Å; R216-E682 IonicContact NH2-OE1 3.29Å; R216-E682 PolarHBondContact NH2-OE1 2.9Å; R216-E682 IonicContact NH2-OE2 3.47Å; E682-Q684 PolarHBondContact O-N 3.14Å; E682-F685 HydrophobicContact CB-CD2 4.49Å; E682-F685 HydrophobicContact CB-CE2 4.26Å; E682-F685 HydrophobicContact CB-CZ 4.32Å; E682-F685 HydrophobicContact CG-CD2 4.39Å; E682-F685 HydrophobicContact CG-CE1 4.33Å; E682-F685 HydrophobicContact CG-CE2 3.71Å; E682-F685 HydrophobicContact CG-CZ 3.67Å; E682-F685 PolarHBondContact O-N 3.3Å; E682-F685 VanDerWaalsContact O-N 3.14Å
683	G	85.5	Confident	93.3	Very high	75 Å²	75	31.3 Å²	31.3	77%	0.773	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-65.7	-5.3	177.8	0	0	0	0	0	114.6	S681	S681-G683 PolarHBondContact O-N 2.74Å; S681-G683 VanDerWaalsContact O-N 3.15Å
684	Q	89.5	Confident	93.3	Very high	48 Å²	48	35 Å²	35	22%	0.224	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-116.6	-1.5	179.3	-63.4	171.1	-63.3	0	0	112.7	D646 I680 S681 E682 S686 Q687 V688	D646-Q684 PolarHBondContact OD2-NE2 3.4Å; I680-Q684 HydrophobicContact CG2-CB 3.82Å; S681-Q684 WeakPolarHBondContact O-CB 3.18Å; S681-Q684 PolarHBondContact O-N 2.96Å; S681-Q684 PolarHBondContact OG-OE1 3.13Å; E682-Q684 PolarHBondContact O-N 3.14Å; Q684-S686 PolarHBondContact O-N 3.42Å; Q684-Q687 PolarHBondContact O-N 3.35Å; Q684-V688 HydrophobicContact CB-CG2 4.16Å; Q684-V688 WeakPolarHBondContact O-CB 3.36Å; Q684-V688 VanDerWaalsContact O-CG2 3.31Å; Q684-V688 WeakPolarHBondContact O-CG2 3.32Å; Q684-V688 PolarHBondContact O-N 2.84Å
685	F	92.8	Very high	93.3	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-51.5	-174.7	-76.2	-0.7	0	0	0	112.5	I680 S681 E682 Q687 V688 L689 V715 H775 L777	I680-F685 HydrophobicContact CG2-CD1 3.85Å; I680-F685 HydrophobicContact CG2-CE1 4.18Å; S681-F685 VanDerWaalsContact O-CD1 3.27Å; S681-F685 WeakPolarHBondContact O-CD1 3.35Å; E682-F685 HydrophobicContact CB-CD2 4.49Å; E682-F685 HydrophobicContact CB-CE2 4.26Å; E682-F685 HydrophobicContact CB-CZ 4.32Å; E682-F685 HydrophobicContact CG-CD2 4.39Å; E682-F685 HydrophobicContact CG-CE1 4.33Å; E682-F685 HydrophobicContact CG-CE2 3.71Å; E682-F685 HydrophobicContact CG-CZ 3.67Å; E682-F685 PolarHBondContact O-N 3.3Å; E682-F685 VanDerWaalsContact O-N 3.14Å; F685-Q687 PolarHBondContact O-N 2.9Å; F685-V688 PolarHBondContact O-N 3.38Å; F685-L689 WeakPolarHBondContact O-CB 3.33Å; F685-L689 PolarHBondContact O-N 3.46Å; F685-V715 HydrophobicContact CE1-CB 4.34Å; F685-V715 HydrophobicContact CE1-CG1 3.81Å; F685-V715 HydrophobicContact CE1-CG2 4.32Å; F685-V715 HydrophobicContact CZ-CB 4.48Å; F685-V715 HydrophobicContact CZ-CG1 4.14Å; F685-H775 HydrophobicContact CE2-CB 4.16Å; F685-H775 AromaticContact CE2-CG 3.79Å; F685-H775 AromaticContact CE2-ND1 3.87Å; F685-H775 HydrophobicContact CZ-CB 4.33Å; F685-L777 HydrophobicContact CB-CD1 4.01Å; F685-L777 HydrophobicContact CB-CD2 4.06Å; F685-L777 HydrophobicContact CD1-CD1 4.32Å; F685-L777 HydrophobicContact CD2-CD2 3.64Å; F685-L777 HydrophobicContact CE2-CD2 4.21Å; F685-L777 HydrophobicContact CG-CD1 4.07Å; F685-L777 HydrophobicContact CG-CD2 3.94Å
686	S	91.2	Very high	93.3	Very high	78 Å²	78	35.3 Å²	35.3	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-48.5	-179.1	175.4	0	0	0	0	112.3	Q684 V688 L689 Q690	Q684-S686 PolarHBondContact O-N 3.42Å; S686-V688 PolarHBondContact O-N 3.48Å; S686-L689 PolarHBondContact O-N 2.67Å; S686-Q690 WeakPolarHBondContact O-CB 3.36Å; S686-Q690 PolarHBondContact O-N 3.25Å
687	Q	92.1	Very high	93.2	Very high	123 Å²	123	39 Å²	39	58%	0.575	23%	0.229	S	C	*	.	H	α-helix	trans	-63.8	-42.4	-178.4	-166.4	-171	3.6	0	0	112.1	I647 Q684 F685 H691	I647-Q687 HydrophobicContact CD1-CG 3.85Å; Q684-Q687 PolarHBondContact O-N 3.35Å; F685-Q687 PolarHBondContact O-N 2.9Å; Q687-H691 PolarHBondContact O-N 2.99Å
688	V	94.7	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.7	-42.8	-179.7	-178.5	0	0	0	0	111	I647 I680 Q684 F685 S686 Q690 H691 E692	I647-V688 HydrophobicContact CG1-CG2 3.95Å; I680-V688 HydrophobicContact CD1-CB 3.87Å; I680-V688 HydrophobicContact CD1-CG1 3.32Å; I680-V688 HydrophobicContact CD1-CG2 4.11Å; I680-V688 HydrophobicContact CG1-CG1 4.35Å; I680-V688 HydrophobicContact CG1-CG2 4.44Å; I680-V688 HydrophobicContact CG2-CB 4.46Å; I680-V688 HydrophobicContact CG2-CG2 4.03Å; Q684-V688 HydrophobicContact CB-CG2 4.16Å; Q684-V688 WeakPolarHBondContact O-CB 3.36Å; Q684-V688 VanDerWaalsContact O-CG2 3.31Å; Q684-V688 WeakPolarHBondContact O-CG2 3.32Å; Q684-V688 PolarHBondContact O-N 2.84Å; F685-V688 PolarHBondContact O-N 3.38Å; S686-V688 PolarHBondContact O-N 3.48Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 2.95Å; V688-H691 PolarHBondContact O-N 3.08Å; V688-E692 HydrophobicContact CG1-CB 4.36Å; V688-E692 HydrophobicContact CG1-CG 3.78Å; V688-E692 WeakPolarHBondContact CG1-OE1 3.5Å; V688-E692 WeakPolarHBondContact CG1-OE2 3.39Å; V688-E692 VanDerWaalsContact O-CB 3.28Å; V688-E692 WeakPolarHBondContact O-CB 3.27Å; V688-E692 PolarHBondContact O-N 3.4Å
689	L	96	Very high	93.5	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-56	-49.5	175.1	175.9	64.2	0	0	0	110.9	F32 F685 S686 H691 L693 F713 L777 W778	F32-L689 HydrophobicContact CB-CD2 3.77Å; F32-L689 HydrophobicContact CB-CG 4.16Å; F685-L689 WeakPolarHBondContact O-CB 3.33Å; F685-L689 PolarHBondContact O-N 3.46Å; S686-L689 PolarHBondContact O-N 2.67Å; L689-H691 VanDerWaalsContact C-N 3.33Å; L689-H691 PolarHBondContact O-N 3.39Å; L689-L693 HydrophobicContact CD1-CB 4.04Å; L689-L693 HydrophobicContact CD1-CD2 4.14Å; L689-L693 WeakPolarHBondContact O-CB 3.46Å; L689-L693 PolarHBondContact O-N 2.92Å; L689-F713 HydrophobicContact CD1-CD2 4.05Å; L689-F713 HydrophobicContact CD1-CE2 4.47Å; L689-F713 HydrophobicContact CD1-CG 4.21Å; L689-L777 HydrophobicContact CB-CD1 4.27Å; L689-L777 HydrophobicContact CD1-CB 3.89Å; L689-L777 HydrophobicContact CD2-CB 4.13Å; L689-L777 WeakPolarHBondContact CD2-O 3.48Å; L689-L777 HydrophobicContact CG-CB 4.43Å; L689-W778 HydrophobicContact CD1-CB 4.07Å
690	Q	94.6	Very high	94.4	Very high	56 Å²	56	40 Å²	40	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-55.2	-49.4	-178.5	-169.8	70.6	19.4	0	0	111.6	Y30 S686 V688 L694	Y30-Q690 PolarHBondContact O-NE2 3.26Å; Y30-Q690 PolarHBondContact O-OE1 3.47Å; S686-Q690 WeakPolarHBondContact O-CB 3.36Å; S686-Q690 PolarHBondContact O-N 3.25Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 2.95Å; Q690-L694 WeakPolarHBondContact O-CB 3.36Å; Q690-L694 VanDerWaalsContact O-CD1 3.27Å; Q690-L694 WeakPolarHBondContact O-CD1 3.48Å; Q690-L694 WeakPolarHBondContact O-CG 3.2Å
691	H	96.1	Very high	94.7	Very high	61 Å²	61	43.6 Å²	43.6	28%	0.282	24%	0.24	S	C	.	.	H	α-helix	trans	-73.9	-50.2	-178.2	-175.8	-78.7	0	0	0	112.4	I647 I648 Q687 V688 L689 A695	I647-H691 HydrophobicContact CG2-CB 3.9Å; I647-H691 VanDerWaalsContact CG2-CG 3.45Å; I647-H691 VanDerWaalsContact CG2-ND1 3.26Å; I647-H691 WeakPolarHBondContact CG2-ND1 3.45Å; I648-H691 PolarHBondContact O-CE1 3.32Å; Q687-H691 PolarHBondContact O-N 2.99Å; V688-H691 PolarHBondContact O-N 3.08Å; L689-H691 VanDerWaalsContact C-N 3.33Å; L689-H691 PolarHBondContact O-N 3.39Å; H691-A695 WeakPolarHBondContact O-CB 3.27Å; H691-A695 PolarHBondContact O-N 2.85Å
692	E	98.3	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-75.1	-34.7	-169.6	-68.6	-173.8	-175.1	0	0	112.6	I648 L651 Y675 R677 V688 A695 I696 F713	I648-E692 WeakPolarHBondContact CG1-OE1 3.22Å; I648-E692 PolarHBondContact N-OE1 3.2Å; L651-E692 HydrophobicContact CD2-CB 3.46Å; L651-E692 VanDerWaalsContact CD2-CB 3.46Å; L651-E692 HydrophobicContact CD2-CG 3.66Å; Y675-E692 PolarHBondContact OH-OE2 2.79Å; R677-E692 VanDerWaalsContact CD-OE2 3.25Å; R677-E692 WeakPolarHBondContact CD-OE2 3.11Å; R677-E692 IonicContact CZ-OE1 3.51Å; R677-E692 IonicContact NE-OE1 3.81Å; R677-E692 PolarHBondContact NE-OE1 3Å; R677-E692 IonicContact NE-OE2 3.17Å; R677-E692 PolarHBondContact NE-OE2 3.39Å; R677-E692 IonicContact NH2-OE1 3.59Å; V688-E692 HydrophobicContact CG1-CB 4.36Å; V688-E692 HydrophobicContact CG1-CG 3.78Å; V688-E692 WeakPolarHBondContact CG1-OE1 3.5Å; V688-E692 WeakPolarHBondContact CG1-OE2 3.39Å; V688-E692 VanDerWaalsContact O-CB 3.28Å; V688-E692 WeakPolarHBondContact O-CB 3.27Å; V688-E692 PolarHBondContact O-N 3.4Å; E692-A695 PolarHBondContact O-N 2.93Å; E692-I696 WeakPolarHBondContact O-CG1 3.29Å; E692-I696 PolarHBondContact O-N 2.99Å; E692-F713 HydrophobicContact CB-CE2 3.85Å; E692-F713 HydrophobicContact CB-CZ 4.23Å
693	L	98.1	Very high	95.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-45	173.8	-178.5	63.4	0	0	0	111.4	F32 L689 A695 I696 R697 I711 W778	F32-L693 HydrophobicContact CD1-CD2 3.93Å; F32-L693 HydrophobicContact CD2-CD2 4.1Å; F32-L693 HydrophobicContact CE1-CD2 4.19Å; F32-L693 HydrophobicContact CE2-CD2 4.37Å; F32-L693 HydrophobicContact CG-CD2 3.9Å; F32-L693 HydrophobicContact CZ-CD2 4.41Å; L689-L693 HydrophobicContact CD1-CB 4.04Å; L689-L693 HydrophobicContact CD1-CD2 4.14Å; L689-L693 WeakPolarHBondContact O-CB 3.46Å; L689-L693 PolarHBondContact O-N 2.92Å; L693-A695 VanDerWaalsContact C-N 3.31Å; L693-A695 PolarHBondContact O-N 3.39Å; L693-I696 PolarHBondContact O-N 3.49Å; L693-R697 PolarHBondContact O-N 2.83Å; L693-I711 HydrophobicContact CD1-CB 4.2Å; L693-I711 HydrophobicContact CD1-CD1 3.89Å; L693-I711 HydrophobicContact CD1-CG2 3.82Å; L693-W778 HydrophobicContact CD1-CB 4.48Å; L693-W778 HydrophobicContact CD1-CG 4.06Å; L693-W778 HydrophobicContact CD2-CB 4.28Å; L693-W778 HydrophobicContact CD2-CD2 3.58Å; L693-W778 HydrophobicContact CD2-CE3 4.01Å; L693-W778 HydrophobicContact CD2-CG 3.68Å
694	L	97.7	Very high	96.2	Very high	79 Å²	79	46.2 Å²	46.2	41%	0.414	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-41.6	175.8	-72.6	177	0	0	0	111.4	F32 Q690 I696 R697 E698	F32-L694 HydrophobicContact CE2-CD1 4.25Å; F32-L694 HydrophobicContact CE2-CD2 3.84Å; F32-L694 HydrophobicContact CE2-CG 3.79Å; F32-L694 HydrophobicContact CZ-CD2 3.7Å; F32-L694 HydrophobicContact CZ-CG 4.18Å; Q690-L694 WeakPolarHBondContact O-CB 3.36Å; Q690-L694 VanDerWaalsContact O-CD1 3.27Å; Q690-L694 WeakPolarHBondContact O-CD1 3.48Å; Q690-L694 WeakPolarHBondContact O-CG 3.2Å; L694-I696 PolarHBondContact O-N 2.83Å; L694-R697 PolarHBondContact O-N 3.37Å; L694-E698 VanDerWaalsContact O-CB 3.29Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 2.79Å
695	A	98.4	Very high	96.1	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-37.9	177.5	0	0	0	0	0	112.9	L651 A652 H691 E692 L693 A699	L651-A695 HydrophobicContact CB-CB 3.92Å; L651-A695 HydrophobicContact CD2-CB 4.24Å; L651-A695 HydrophobicContact CG-CB 4.25Å; A652-A695 WeakPolarHBondContact CA-O 3.4Å; A652-A695 HydrophobicContact CB-CB 4.1Å; A652-A695 WeakPolarHBondContact CB-O 3.22Å; H691-A695 WeakPolarHBondContact O-CB 3.27Å; H691-A695 PolarHBondContact O-N 2.85Å; E692-A695 PolarHBondContact O-N 2.93Å; L693-A695 VanDerWaalsContact C-N 3.31Å; L693-A695 PolarHBondContact O-N 3.39Å; A695-A699 WeakPolarHBondContact O-CB 3.37Å; A695-A699 PolarHBondContact O-N 2.75Å
696	I	98.7	Very high	96.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-44.7	174.3	-65.4	163.3	0	0	0	110.4	L651 V655 I673 Y675 E692 L693 L694 A699 C700 I711	L651-I696 HydrophobicContact CD2-CD1 4.42Å; L651-I696 HydrophobicContact CD2-CG1 4.09Å; V655-I696 HydrophobicContact CG1-CG2 4.43Å; V655-I696 HydrophobicContact CG2-CG1 4.11Å; I673-I696 HydrophobicContact CD1-CG2 3.95Å; I673-I696 HydrophobicContact CG2-CG2 4.43Å; Y675-I696 HydrophobicContact CD1-CD1 3.74Å; Y675-I696 HydrophobicContact CE1-CD1 4.02Å; Y675-I696 HydrophobicContact CG-CD1 4.06Å; E692-I696 WeakPolarHBondContact O-CG1 3.29Å; E692-I696 PolarHBondContact O-N 2.99Å; L693-I696 PolarHBondContact O-N 3.49Å; L694-I696 PolarHBondContact O-N 2.83Å; I696-A699 WeakPolarHBondContact O-CB 3.25Å; I696-A699 PolarHBondContact O-N 3.13Å; I696-C700 PolarHBondContact O-N 3.2Å; I696-C700 PolarHBondContact O-SG 3.01Å; I696-I711 HydrophobicContact CB-CD1 4.2Å; I696-I711 HydrophobicContact CG2-CD1 3.58Å; I696-I711 HydrophobicContact CG2-CG1 4.09Å
697	R	98.3	Very high	96.5	Very high	78 Å²	78	55.2 Å²	55.2	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-44	176.2	-72.3	-179.2	171.7	169.5	-0.2	111.7	L693 L694 A699 C700 I701 I711 W778 D780	L693-R697 PolarHBondContact O-N 2.83Å; L694-R697 PolarHBondContact O-N 3.37Å; R697-A699 VanDerWaalsContact C-N 3.31Å; R697-A699 PolarHBondContact O-N 2.75Å; R697-C700 WeakPolarHBondContact O-CB 3.47Å; R697-C700 PolarHBondContact O-N 3.28Å; R697-C700 VanDerWaalsContact O-N 3.11Å; R697-I701 WeakPolarHBondContact O-CG1 3.46Å; R697-I701 PolarHBondContact O-N 2.83Å; R697-I711 HydrophobicContact CG-CD1 3.65Å; R697-W778 VanDerWaalsContact NH2-CZ2 3.27Å; R697-D780 IonicContact NH2-OD1 2.95Å; R697-D780 IonicContact NH2-OD2 2.72Å
698	E	98	Very high	96.8	Very high	85 Å²	85	56.8 Å²	56.8	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-57.8	-43.1	175.8	-176.7	-172.6	172	0	0	111.5	A652 L694 C700 I701 K702	A652-E698 HydrophobicContact CB-CB 4.44Å; A652-E698 HydrophobicContact CB-CG 4.44Å; L694-E698 VanDerWaalsContact O-CB 3.29Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 2.79Å; E698-C700 VanDerWaalsContact C-N 3.28Å; E698-C700 PolarHBondContact O-N 3.34Å; E698-I701 PolarHBondContact O-N 2.9Å; E698-K702 HydrophobicContact CG-CD 4.11Å; E698-K702 HydrophobicContact CG-CG 4.38Å; E698-K702 VanDerWaalsContact O-CB 3.32Å; E698-K702 WeakPolarHBondContact O-CB 3.12Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.22Å; E698-K702 WeakPolarHBondContact OE1-CE 3.15Å; E698-K702 IonicContact OE1-NZ 3.74Å; E698-K702 PolarHBondContact OE1-NZ 3.22Å
699	A	98.4	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-39.6	176.2	0	0	0	0	0	112.4	A652 V655 R656 A695 I696 R697 L703	A652-A699 WeakPolarHBondContact O-CB 3.29Å; V655-A699 HydrophobicContact CB-CB 3.92Å; V655-A699 HydrophobicContact CG1-CB 3.79Å; R656-A699 HydrophobicContact CB-CB 4.23Å; A695-A699 WeakPolarHBondContact O-CB 3.37Å; A695-A699 PolarHBondContact O-N 2.75Å; I696-A699 WeakPolarHBondContact O-CB 3.25Å; I696-A699 PolarHBondContact O-N 3.13Å; R697-A699 VanDerWaalsContact C-N 3.31Å; R697-A699 PolarHBondContact O-N 2.75Å; A699-L703 WeakPolarHBondContact O-CG 3.44Å; A699-L703 PolarHBondContact O-N 2.96Å
700	C	98.5	Very high	97.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-69.1	-49.8	178.7	-59.1	0	0	0	0	111.3	I696 R697 E698 K702 L703 E704 Y707 P709	I696-C700 PolarHBondContact O-N 3.2Å; I696-C700 PolarHBondContact O-SG 3.01Å; R697-C700 WeakPolarHBondContact O-CB 3.47Å; R697-C700 PolarHBondContact O-N 3.28Å; R697-C700 VanDerWaalsContact O-N 3.11Å; E698-C700 VanDerWaalsContact C-N 3.28Å; E698-C700 PolarHBondContact O-N 3.34Å; C700-K702 VanDerWaalsContact C-N 3.32Å; C700-K702 PolarHBondContact O-N 3.09Å; C700-L703 WeakPolarHBondContact O-CB 3.21Å; C700-L703 PolarHBondContact O-N 3.49Å; C700-E704 PolarHBondContact O-N 3.48Å; C700-Y707 HydrophobicContact CB-CD1 3.62Å; C700-Y707 HydrophobicContact CB-CE1 3.9Å; C700-Y707 VanDerWaalsContact CB-O 3.28Å; C700-Y707 WeakPolarHBondContact CB-O 3.49Å; C700-P709 HydrophobicContact CB-CG 4.46Å
701	I	97.6	Very high	97.3	Very high	78 Å²	78	55.3 Å²	55.3	40%	0.4	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-36.4	179.6	-63.3	-61.2	0	0	0	112.2	R697 E698 L703 E704 Q708	R697-I701 WeakPolarHBondContact O-CG1 3.46Å; R697-I701 PolarHBondContact O-N 2.83Å; E698-I701 PolarHBondContact O-N 2.9Å; I701-L703 PolarHBondContact O-N 3.17Å; I701-E704 CarbonylContact O-C 3.29Å; I701-E704 PolarHBondContact O-N 2.84Å; I701-Q708 HydrophobicContact CD1-CG 4.08Å
702	K	96.7	Very high	97.4	Very high	105 Å²	105	52.4 Å²	52.4	46%	0.457	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.5	175.3	-78.7	-175.7	179.5	175.7	0	113.9	E698 C700	E698-K702 HydrophobicContact CG-CD 4.11Å; E698-K702 HydrophobicContact CG-CG 4.38Å; E698-K702 VanDerWaalsContact O-CB 3.32Å; E698-K702 WeakPolarHBondContact O-CB 3.12Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.22Å; E698-K702 WeakPolarHBondContact OE1-CE 3.15Å; E698-K702 IonicContact OE1-NZ 3.74Å; E698-K702 PolarHBondContact OE1-NZ 3.22Å; C700-K702 VanDerWaalsContact C-N 3.32Å; C700-K702 PolarHBondContact O-N 3.09Å
703	L	96.9	Very high	97.4	Very high	62 Å²	62	52.4 Å²	52.4	33%	0.325	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-42.7	175.7	-75.7	168.5	0	0	0	111.4	R656 L659 I660 A699 C700 I701	R656-L703 HydrophobicContact CG-CD1 4.36Å; R656-L703 HydrophobicContact CG-CD2 3.82Å; R656-L703 HydrophobicContact CG-CG 4.04Å; L659-L703 HydrophobicContact CB-CD1 3.63Å; L659-L703 HydrophobicContact CD1-CD1 3.66Å; L659-L703 HydrophobicContact CG-CD1 4.31Å; I660-L703 HydrophobicContact CD1-CD2 3.81Å; I660-L703 HydrophobicContact CG1-CD2 3.57Å; A699-L703 WeakPolarHBondContact O-CG 3.44Å; A699-L703 PolarHBondContact O-N 2.96Å; C700-L703 WeakPolarHBondContact O-CB 3.21Å; C700-L703 PolarHBondContact O-N 3.49Å; I701-L703 PolarHBondContact O-N 3.17Å
704	E	96.9	Very high	97.5	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	25%	0.251	S	S	.	.	S	Bend	trans	-156.3	129.8	-178.4	-179.2	167.1	132.3	0	0	109.6	K669 C700 I701 D706 Y707	K669-E704 WeakPolarHBondContact CE-OE2 3.07Å; K669-E704 IonicContact NZ-OE1 3.49Å; K669-E704 PolarHBondContact NZ-OE1 2.96Å; K669-E704 IonicContact NZ-OE2 3.19Å; K669-E704 PolarHBondContact NZ-OE2 2.95Å; C700-E704 PolarHBondContact O-N 3.48Å; I701-E704 CarbonylContact O-C 3.29Å; I701-E704 PolarHBondContact O-N 2.84Å; E704-D706 PolarHBondContact O-N 2.71Å; E704-Y707 WeakPolarHBondContact O-CB 3.48Å; E704-Y707 PolarHBondContact O-N 2.84Å; E704-Y707 VanDerWaalsContact O-N 3.08Å
705	K	88.6	Confident	97.5	Very high	180 Å²	180	48.7 Å²	48.7	78%	0.783	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	122.8	174	-165.2	178.4	178.7	-175	0	106.8
706	D	94.8	Very high	97.5	Very high	124 Å²	124	48.4 Å²	48.4	66%	0.663	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	4.6	-177.7	-42.2	-43.9	0	0	0	117.2	E704 Q708	E704-D706 PolarHBondContact O-N 2.71Å; D706-Q708 PolarHBondContact O-N 2.88Å; D706-Q708 VanDerWaalsContact O-N 3.07Å
707	Y	97.9	Very high	97.3	Very high	31 Å²	31	49.5 Å²	49.5	12%	0.122	24%	0.235	C	C	.	.			trans	-74.7	101.7	170.6	175.8	-122.6	0	0	0	111.3	L659 K669 P670 C700 E704 P709	L659-Y707 HydrophobicContact CD1-CE1 4.34Å; K669-Y707 HydrophobicContact CB-CE2 4.23Å; P670-Y707 WeakPolarHBondContact CD-OH 3.44Å; P670-Y707 VanDerWaalsContact O-CE2 3.28Å; P670-Y707 WeakPolarHBondContact O-CE2 3.4Å; P670-Y707 PolarHBondContact O-OH 2.9Å; C700-Y707 HydrophobicContact CB-CD1 3.62Å; C700-Y707 HydrophobicContact CB-CE1 3.9Å; C700-Y707 VanDerWaalsContact CB-O 3.28Å; C700-Y707 WeakPolarHBondContact CB-O 3.49Å; E704-Y707 WeakPolarHBondContact O-CB 3.48Å; E704-Y707 PolarHBondContact O-N 2.84Å; E704-Y707 VanDerWaalsContact O-N 3.08Å; Y707-P709 HydrophobicContact CE1-CG 4.06Å; Y707-P709 HydrophobicContact CE2-CB 4.24Å; Y707-P709 HydrophobicContact CE2-CG 4.1Å
708	Q	97.5	Very high	97	Very high	155 Å²	155	49 Å²	49	72%	0.724	24%	0.235	S	C	*	.			trans	-127	72.1	-174.2	-64.9	-179.1	-11	0	0	111.3	I701 D706	I701-Q708 HydrophobicContact CD1-CG 4.08Å; D706-Q708 PolarHBondContact O-N 2.88Å; D706-Q708 VanDerWaalsContact O-N 3.07Å
709	P	98.2	Very high	96.6	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.078	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67	148.8	175.7	30.8	-35.7	0	0	0	111.1	P670 T671 I673 C700 Y707 I711	P670-P709 WeakPolarHBondContact O-CB 3.33Å; T671-P709 CarbonylContact O-C 3.56Å; T671-P709 VanDerWaalsContact O-CA 3.3Å; T671-P709 WeakPolarHBondContact O-CA 3.27Å; T671-P709 WeakPolarHBondContact O-CB 3.26Å; I673-P709 HydrophobicContact CD1-CB 4.41Å; I673-P709 HydrophobicContact CD1-CG 3.62Å; I673-P709 HydrophobicContact CG1-CB 4.22Å; I673-P709 HydrophobicContact CG1-CG 3.98Å; C700-P709 HydrophobicContact CB-CG 4.46Å; Y707-P709 HydrophobicContact CE1-CG 4.06Å; Y707-P709 HydrophobicContact CE2-CB 4.24Å; Y707-P709 HydrophobicContact CE2-CG 4.1Å; P709-I711 PolarHBondContact O-N 3.29Å
710	G	98.4	Very high	96.4	Very high	14 Å²	14	56.2 Å²	56.2	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.1	176.2	0	0	0	0	0	111.6	T671 R672 I673 N781	T671-G710 PolarHBondContact O-N 3.17Å; R672-G710 CarbonylContact C-O 3.52Å; R672-G710 WeakPolarHBondContact CA-O 3.41Å; I673-G710 PolarHBondContact N-O 3.45Å; G710-N781 PolarHBondContact O-ND2 3.38Å
711	I	98.8	Very high	96.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.5	-178	-58.2	165.7	0	0	0	110.2	I673 L693 I696 R697 P709 D780	I673-I711 HydrophobicContact CB-CG1 4.38Å; I673-I711 WeakPolarHBondContact O-CA 3.45Å; L693-I711 HydrophobicContact CD1-CB 4.2Å; L693-I711 HydrophobicContact CD1-CD1 3.89Å; L693-I711 HydrophobicContact CD1-CG2 3.82Å; I696-I711 HydrophobicContact CB-CD1 4.2Å; I696-I711 HydrophobicContact CG2-CD1 3.58Å; I696-I711 HydrophobicContact CG2-CG1 4.09Å; R697-I711 HydrophobicContact CG-CD1 3.65Å; P709-I711 PolarHBondContact O-N 3.29Å; I711-D780 PolarHBondContact N-OD2 3.36Å; I711-D780 PolarHBondContact O-N 3.2Å
712	T	98.9	Very high	96.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.4	165.6	-51.2	0	0	0	0	109	I673 Y675 V714 V776 W778 D779 N781 F783	I673-T712 PolarHBondContact O-N 3.23Å; Y675-T712 PolarHBondContact N-O 3.31Å; T712-V714 HydrophobicContact CG2-CG2 3.93Å; T712-V776 HydrophobicContact CG2-CG1 4.31Å; T712-W778 CarbonylContact C-O 3.57Å; T712-W778 WeakPolarHBondContact CA-O 3.4Å; T712-D779 WeakPolarHBondContact CB-OD1 3.35Å; T712-D779 HydrophobicContact CG2-CB 4.21Å; T712-D779 WeakPolarHBondContact CG2-OD1 3.28Å; T712-D779 PolarHBondContact OG1-OD1 2.95Å; T712-N781 PolarHBondContact OG1-ND2 3.21Å; T712-F783 HydrophobicContact CG2-CD2 3.97Å; T712-F783 HydrophobicContact CG2-CE2 4.16Å; T712-F783 VanDerWaalsContact OG1-CE2 3.3Å; T712-F783 WeakPolarHBondContact OG1-CE2 3.38Å
713	F	98.8	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111	-177.8	-164.3	-56.7	0	0	0	109.5	Y675 R677 L689 E692 V715 V776 L777 W778	Y675-F713 HydrophobicContact CD1-CD1 4.24Å; Y675-F713 AromaticContact CD1-CD2 3.59Å; Y675-F713 HydrophobicContact CD1-CD2 3.59Å; Y675-F713 HydrophobicContact CD1-CE1 4.14Å; Y675-F713 AromaticContact CD1-CE2 3.49Å; Y675-F713 HydrophobicContact CD1-CE2 3.49Å; Y675-F713 VanDerWaalsContact CD1-CE2 3.49Å; Y675-F713 AromaticContact CD1-CG 3.97Å; Y675-F713 HydrophobicContact CD1-CG 3.97Å; Y675-F713 AromaticContact CD1-CZ 3.77Å; Y675-F713 HydrophobicContact CD1-CZ 3.77Å; Y675-F713 HydrophobicContact CE1-CD2 4.05Å; Y675-F713 HydrophobicContact CE1-CE1 4.19Å; Y675-F713 AromaticContact CE1-CE2 3.43Å; Y675-F713 HydrophobicContact CE1-CE2 3.43Å; Y675-F713 VanDerWaalsContact CE1-CE2 3.43Å; Y675-F713 AromaticContact CE1-CZ 3.5Å; Y675-F713 HydrophobicContact CE1-CZ 3.5Å; R677-F713 HydrophobicContact CB-CE1 3.73Å; R677-F713 HydrophobicContact CB-CZ 4.11Å; R677-F713 HydrophobicContact CG-CE1 4.02Å; R677-F713 HydrophobicContact CG-CZ 4.06Å; L689-F713 HydrophobicContact CD1-CD2 4.05Å; L689-F713 HydrophobicContact CD1-CE2 4.47Å; L689-F713 HydrophobicContact CD1-CG 4.21Å; E692-F713 HydrophobicContact CB-CE2 3.85Å; E692-F713 HydrophobicContact CB-CZ 4.23Å; F713-V715 HydrophobicContact CD1-CG2 4.3Å; F713-V715 HydrophobicContact CE1-CG2 3.84Å; F713-V776 CarbonylContact O-C 3.53Å; F713-V776 WeakPolarHBondContact O-CA 3.11Å; F713-L777 HydrophobicContact CD1-CB 4.11Å; F713-L777 HydrophobicContact CD1-CD1 4.28Å; F713-L777 HydrophobicContact CD1-CG 4.47Å; F713-L777 HydrophobicContact CE1-CD1 4.18Å; F713-L777 PolarHBondContact O-N 3.03Å; F713-W778 HydrophobicContact CB-CB 3.78Å; F713-W778 PolarHBondContact N-O 3.04Å
714	V	98.8	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.3	-178.5	-170.1	0	0	0	0	110	Y675 Y676 R677 T712 Y774 V776 L788	Y675-V714 PolarHBondContact O-N 3.29Å; Y676-V714 CarbonylContact C-O 3.6Å; Y676-V714 WeakPolarHBondContact CA-O 3.4Å; Y676-V714 HydrophobicContact CD1-CB 3.95Å; Y676-V714 HydrophobicContact CD1-CG1 4.09Å; Y676-V714 HydrophobicContact CE1-CB 4.08Å; Y676-V714 HydrophobicContact CE1-CG1 4.03Å; Y676-V714 HydrophobicContact CE1-CG2 4.43Å; R677-V714 PolarHBondContact N-O 3.41Å; T712-V714 HydrophobicContact CG2-CG2 3.93Å; V714-Y774 HydrophobicContact CG1-CD1 4.07Å; V714-V776 HydrophobicContact CG2-CG2 4.37Å; V714-L788 HydrophobicContact CG2-CD1 4.46Å; V714-L788 HydrophobicContact CG2-CD2 4.45Å
715	V	98.6	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.2	169.4	174.5	0	0	0	0	109.5	R677 I680 F685 F713 Q717 Y774 H775 L777	R677-V715 CarbonylContact O-C 3.5Å; R677-V715 WeakPolarHBondContact O-CA 3.26Å; I680-V715 HydrophobicContact CB-CG1 4.33Å; I680-V715 HydrophobicContact CD1-CG2 4.3Å; F685-V715 HydrophobicContact CE1-CB 4.34Å; F685-V715 HydrophobicContact CE1-CG1 3.81Å; F685-V715 HydrophobicContact CE1-CG2 4.32Å; F685-V715 HydrophobicContact CZ-CB 4.48Å; F685-V715 HydrophobicContact CZ-CG1 4.14Å; F713-V715 HydrophobicContact CD1-CG2 4.3Å; F713-V715 HydrophobicContact CE1-CG2 3.84Å; V715-Q717 HydrophobicContact CG1-CG 3.97Å; V715-Y774 VanDerWaalsContact O-CA 3.32Å; V715-Y774 WeakPolarHBondContact O-CA 3.42Å; V715-H775 PolarHBondContact N-O 3.04Å; V715-H775 PolarHBondContact O-N 3.19Å; V715-L777 HydrophobicContact CG2-CD1 3.4Å; V715-L777 VanDerWaalsContact CG2-CD1 3.4Å; V715-L777 HydrophobicContact CG2-CG 3.9Å
716	V	98.1	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.7	174.6	-171.7	0	0	0	0	108.8	Y676 R677 D678 G679 H773 Y774 I808	Y676-V716 HydrophobicContact CD1-CG2 3.63Å; Y676-V716 HydrophobicContact CG-CG2 4.35Å; R677-V716 PolarHBondContact O-N 3.31Å; D678-V716 WeakPolarHBondContact CA-O 2.91Å; D678-V716 VanDerWaalsContact OD1-O 3.12Å; G679-V716 PolarHBondContact N-O 3Å; V716-H773 WeakPolarHBondContact CA-O 3.48Å; V716-Y774 HydrophobicContact CB-CE1 4.35Å; V716-Y774 HydrophobicContact CG1-CD1 4.31Å; V716-Y774 HydrophobicContact CG1-CE1 3.8Å; V716-Y774 HydrophobicContact CG2-CD1 3.84Å; V716-Y774 HydrophobicContact CG2-CE1 3.75Å; V716-I808 HydrophobicContact CG1-CB 4.25Å; V716-I808 HydrophobicContact CG1-CG2 3.66Å
717	Q	95.8	Very high	97.1	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.103	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.7	175.9	-66.7	171	-39	0	0	109.5	I680 V715 H720 H773	I680-Q717 PolarHBondContact O-NE2 3.27Å; V715-Q717 HydrophobicContact CG1-CG 3.97Å; Q717-H720 PolarHBondContact O-CD2 3.27Å; Q717-H720 PolarHBondContact O-NE2 3.26Å; Q717-H773 HydrophobicContact CB-CB 4.2Å; Q717-H773 PolarHBondContact N-O 3.02Å; Q717-H773 PolarHBondContact O-N 3.4Å; Q717-H773 PolarHBondContact OE1-ND1 3.11Å
718	K	91.4	Very high	97	Very high	67 Å²	67	33.5 Å²	33.5	29%	0.291	16%	0.157	S	C	.	.			trans	-89.4	-22.1	170.8	-175.5	175.3	175.9	174.4	0	113	S807 I808	K718-S807 WeakPolarHBondContact CE-OG 3.48Å; K718-S807 PolarHBondContact NZ-OG 3.28Å; K718-I808 HydrophobicContact CB-CG2 4.29Å; K718-I808 HydrophobicContact CD-CG2 4.33Å
719	R	89.1	Confident	96.8	Very high	214 Å²	214	35.4 Å²	35.4	81%	0.808	16%	0.157	S	C	*	.	S	Bend	trans	-103.4	77.3	-174	-62.3	-175.5	-170.8	174.2	7.9	110.7
720	H	93.6	Very high	96.6	Very high	23 Å²	23	42.6 Å²	42.6	11%	0.106	20%	0.195	C	C	.	.	S	Bend	trans	-135.2	-179.9	172.9	58.1	83.2	0	0	0	110.7	Q717 T722 R723 P771	Q717-H720 PolarHBondContact O-CD2 3.27Å; Q717-H720 PolarHBondContact O-NE2 3.26Å; H720-T722 PolarHBondContact CE1-O 3.23Å; H720-T722 WeakPolarHBondContact ND1-CB 3.33Å; H720-T722 PolarHBondContact ND1-N 3.24Å; H720-T722 PolarHBondContact ND1-O 3.15Å; H720-R723 PolarHBondContact O-NH1 3.08Å; H720-R723 PolarHBondContact O-NH2 3Å; H720-P771 PolarHBondContact CE1-O 2.77Å; H720-P771 PolarHBondContact NE2-O 2.82Å
721	H	95.8	Very high	96.5	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.269	20%	0.199	S	C	.	.	S	Bend	trans	-106.4	-2	-174.2	-67.4	-85.1	0	0	0	114.3	N52 H212 N225 D227 R723	N52-H721 PolarHBondContact ND2-O 2.75Å; N52-H721 PolarHBondContact OD1-O 3.32Å; H212-H721 HydrophobicContact CB-CB 4.36Å; H212-H721 VanDerWaalsContact CB-ND1 3.29Å; H212-H721 WeakPolarHBondContact CB-ND1 3.44Å; H212-H721 WeakPolarHBondContact CD2-CB 3.44Å; H212-H721 AromaticContact CD2-CD2 3.66Å; H212-H721 AromaticContact CD2-CG 3.25Å; H212-H721 AromaticContact CD2-ND1 3.78Å; H212-H721 AromaticContact CE1-CD2 3.31Å; H212-H721 PolarHBondContact CE1-CD2 3.02Å; H212-H721 AromaticContact CE1-CG 3.76Å; H212-H721 AromaticContact CE1-NE2 3.85Å; H212-H721 AromaticContact CG-CD2 3.43Å; H212-H721 VanDerWaalsContact CG-CD2 3.43Å; H212-H721 AromaticContact CG-CE1 3.56Å; H212-H721 AromaticContact CG-CG 3.19Å; H212-H721 AromaticContact CG-ND1 3.31Å; H212-H721 VanDerWaalsContact CG-ND1 3.31Å; H212-H721 AromaticContact CG-NE2 3.7Å; H212-H721 AromaticContact ND1-CD2 3.25Å; H212-H721 PolarHBondContact ND1-CD2 2.78Å; H212-H721 AromaticContact ND1-CE1 3.66Å; H212-H721 AromaticContact ND1-CG 3.57Å; H212-H721 AromaticContact ND1-ND1 3.83Å; H212-H721 AromaticContact ND1-NE2 3.36Å; H212-H721 PolarHBondContact ND1-NE2 3.39Å; H212-H721 AromaticContact NE2-CD2 3.57Å; H212-H721 AromaticContact NE2-CG 3.6Å; N225-H721 PolarHBondContact ND2-O 2.7Å; N225-H721 WeakPolarHBondContact OD1-CB 3.44Å; D227-H721 HydrophobicContact CB-CB 4.05Å; D227-H721 IonicContact OD2-ND1 3.46Å; H721-R723 PolarHBondContact O-N 3.25Å
722	T	97.9	Very high	96.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	21%	0.212	C	C	.	.			trans	-61.7	129.2	166.5	-41.5	0	0	0	0	111.8	N52 F53 H720 I749 Y758	N52-T722 WeakPolarHBondContact OD1-CA 3.32Å; F53-T722 HydrophobicContact CD2-CG2 4.4Å; F53-T722 HydrophobicContact CE2-CG2 3.68Å; F53-T722 HydrophobicContact CZ-CG2 4.3Å; H720-T722 PolarHBondContact CE1-O 3.23Å; H720-T722 WeakPolarHBondContact ND1-CB 3.33Å; H720-T722 PolarHBondContact ND1-N 3.24Å; H720-T722 PolarHBondContact ND1-O 3.15Å; T722-I749 HydrophobicContact CG2-CD1 4.2Å; T722-Y758 HydrophobicContact CG2-CD1 4.31Å; T722-Y758 HydrophobicContact CG2-CE1 3.83Å; T722-Y758 HydrophobicContact CG2-CE2 4.2Å; T722-Y758 PolarHBondContact OG1-OH 3.03Å
723	R	98.4	Very high	96.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	22%	0.219	C	C	.	.			trans	-129.4	145.5	172	-59.3	-65.1	174.1	-92.7	-14.8	108.3	A51 N52 D227 H720 H721 F725	A51-R723 WeakPolarHBondContact CA-O 3.08Å; N52-R723 PolarHBondContact N-O 3.24Å; N52-R723 PolarHBondContact OD1-N 2.83Å; N52-R723 PolarHBondContact OD1-O 3.17Å; D227-R723 IonicContact OD2-CZ 3.61Å; D227-R723 IonicContact OD2-NE 3.36Å; D227-R723 IonicContact OD2-NH2 2.82Å; D227-R723 PolarHBondContact OD2-NH2 2.96Å; H720-R723 PolarHBondContact O-NH1 3.08Å; H720-R723 PolarHBondContact O-NH2 3Å; H721-R723 PolarHBondContact O-N 3.25Å; R723-F725 HydrophobicContact CB-CE1 4.37Å; R723-F725 HydrophobicContact CB-CE2 3.71Å; R723-F725 HydrophobicContact CB-CZ 3.55Å; R723-F725 HydrophobicContact CG-CZ 4.32Å
724	L	98.7	Very high	96	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.9	179.6	-65.3	174	0	0	0	108.3	L49 Q50 A51 V417 I739 V745 I749 P771	L49-L724 HydrophobicContact CD1-CD1 4.4Å; Q50-L724 WeakPolarHBondContact O-CA 3.43Å; A51-L724 HydrophobicContact CB-CD2 3.94Å; V417-L724 HydrophobicContact CG1-CD2 4.31Å; L724-I739 HydrophobicContact CB-CD1 3.88Å; L724-I739 HydrophobicContact CB-CG2 4.47Å; L724-I739 HydrophobicContact CD1-CD1 4.26Å; L724-V745 HydrophobicContact CD1-CG2 3.81Å; L724-V745 HydrophobicContact CD2-CG2 4.36Å; L724-I749 HydrophobicContact CD2-CD1 3.94Å; L724-P771 HydrophobicContact CD1-CB 3.99Å; L724-P771 HydrophobicContact CD1-CG 3.92Å; L724-P771 HydrophobicContact CG-CG 4.06Å
725	F	98.7	Very high	95.6	Very high	3 Å²	3	62.1 Å²	62.1	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.7	-176.4	-52.5	-79	0	0	0	109.8	L49 Q50 N52 A381 R384 Q385 I388 M414 R723 V727 T768	L49-F725 CarbonylContact C-O 3.43Å; L49-F725 WeakPolarHBondContact CA-O 3.44Å; Q50-F725 PolarHBondContact N-O 2.73Å; Q50-F725 WeakPolarHBondContact O-CD2 3.38Å; Q50-F725 PolarHBondContact O-N 3.4Å; N52-F725 HydrophobicContact CB-CE2 4.33Å; A381-F725 HydrophobicContact CB-CD1 4.13Å; A381-F725 HydrophobicContact CB-CE1 4.36Å; A381-F725 WeakPolarHBondContact O-CD1 3.47Å; A381-F725 WeakPolarHBondContact O-CE1 3.48Å; R384-F725 HydrophobicContact CG-CE1 4.46Å; R384-F725 HydrophobicContact CG-CZ 4.26Å; Q385-F725 HydrophobicContact CB-CD1 3.73Å; Q385-F725 HydrophobicContact CB-CD2 4.19Å; Q385-F725 HydrophobicContact CB-CE1 3.84Å; Q385-F725 HydrophobicContact CB-CE2 4.29Å; Q385-F725 HydrophobicContact CB-CG 3.91Å; Q385-F725 HydrophobicContact CB-CZ 4.12Å; Q385-F725 HydrophobicContact CG-CB 4.22Å; Q385-F725 HydrophobicContact CG-CD1 4.24Å; Q385-F725 HydrophobicContact CG-CD2 3.96Å; Q385-F725 HydrophobicContact CG-CE2 4.37Å; Q385-F725 HydrophobicContact CG-CG 3.88Å; I388-F725 HydrophobicContact CD1-CE2 4.39Å; I388-F725 HydrophobicContact CD1-CZ 4.07Å; M414-F725 HydrophobicContact CE-CD2 4.32Å; M414-F725 HydrophobicContact CE-CE2 3.9Å; M414-F725 HydrophobicContact SD-CD2 3.82Å; M414-F725 HydrophobicContact SD-CE2 3.96Å; R723-F725 HydrophobicContact CB-CE1 4.37Å; R723-F725 HydrophobicContact CB-CE2 3.71Å; R723-F725 HydrophobicContact CB-CZ 3.55Å; R723-F725 HydrophobicContact CG-CZ 4.32Å; F725-V727 PolarHBondContact O-N 3.49Å; F725-T768 HydrophobicContact CE1-CG2 3.73Å; F725-T768 HydrophobicContact CZ-CG2 4.37Å
726	C	98.4	Very high	95.4	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.02	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.8	173.4	-53.7	0	0	0	0	109.9	D728 E731 R732	C726-D728 WeakPolarHBondContact CB-O 3.44Å; C726-E731 HydrophobicContact CB-CB 4.04Å; C726-E731 PolarHBondContact SG-O 3.44Å; C726-R732 HydrophobicContact CB-CG 3.94Å
727	V	97.4	Very high	95.4	Very high	45 Å²	45	63 Å²	63	27%	0.273	30%	0.302	S	S	.	.	S	Bend	trans	-65.2	-52.3	167.3	172.3	0	0	0	0	108.9	K48 Q50 F725	K48-V727 HydrophobicContact CB-CB 3.91Å; K48-V727 HydrophobicContact CB-CG2 4.05Å; K48-V727 PolarHBondContact O-N 3.42Å; K48-V727 VanDerWaalsContact O-N 3.1Å; Q50-V727 HydrophobicContact CG-CG2 3.86Å; F725-V727 PolarHBondContact O-N 3.49Å
728	D	95.9	Very high	95.5	Very high	78 Å²	78	62 Å²	62	42%	0.417	30%	0.297	S	S	.	.	S	Bend	trans	-79.1	127.8	-179.7	-60.6	-48.9	0	0	0	111.1	C726 N730 E731	C726-D728 WeakPolarHBondContact CB-O 3.44Å; D728-N730 PolarHBondContact O-N 2.96Å; D728-E731 HydrophobicContact CB-CG 4.17Å; D728-E731 PolarHBondContact O-N 2.82Å
729	R	93.6	Very high	95.8	Very high	195 Å²	195	58.9 Å²	58.9	74%	0.736	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29.8	179.8	-66.7	-176.1	178.7	-173.2	0.1	112.6	E731 R732	R729-E731 VanDerWaalsContact C-N 3.27Å; R729-E731 PolarHBondContact O-N 3.49Å; R729-R732 VanDerWaalsContact O-CB 3.28Å; R729-R732 WeakPolarHBondContact O-CB 3.47Å; R729-R732 WeakPolarHBondContact O-CG 3.15Å; R729-R732 PolarHBondContact O-N 3.43Å
730	N	94.6	Very high	96.3	Very high	163 Å²	163	49.1 Å²	49.1	87%	0.872	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-73.2	-19.6	-177.3	-61.3	-6	0	0	0	112.8	D728 R732	D728-N730 PolarHBondContact O-N 2.96Å; N730-R732 VanDerWaalsContact C-N 3.3Å
731	E	96.3	Very high	96.5	Very high	47 Å²	47	48.4 Å²	48.4	22%	0.22	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.8	-6.1	175.9	-72.1	-81.7	-163.4	0	0	112.6	R45 I47 C726 D728 R729 V733	R45-E731 IonicContact CZ-OE1 2.68Å; R45-E731 IonicContact CZ-OE2 3.12Å; R45-E731 IonicContact NH1-OE1 3.66Å; R45-E731 PolarHBondContact NH1-OE1 3.46Å; R45-E731 IonicContact NH1-OE2 3.13Å; R45-E731 PolarHBondContact NH1-OE2 3.43Å; R45-E731 IonicContact NH2-OE1 2.77Å; R45-E731 IonicContact NH2-OE2 3.07Å; R45-E731 PolarHBondContact NH2-OE2 2.98Å; I47-E731 HydrophobicContact CD1-CB 4.07Å; I47-E731 HydrophobicContact CD1-CG 4.22Å; I47-E731 HydrophobicContact CG1-CG 4.3Å; C726-E731 HydrophobicContact CB-CB 4.04Å; C726-E731 PolarHBondContact SG-O 3.44Å; D728-E731 HydrophobicContact CB-CG 4.17Å; D728-E731 PolarHBondContact O-N 2.82Å; R729-E731 VanDerWaalsContact C-N 3.27Å; R729-E731 PolarHBondContact O-N 3.49Å; E731-V733 PolarHBondContact O-N 2.85Å
732	R	96.4	Very high	96.6	Very high	76 Å²	76	45.6 Å²	45.6	29%	0.287	23%	0.233	S	C	.	.			trans	-73.3	123.7	-179	-64.6	176.5	-179.5	-173.9	-5.3	110.1	C726 R729 N730	C726-R732 HydrophobicContact CB-CG 3.94Å; R729-R732 VanDerWaalsContact O-CB 3.28Å; R729-R732 WeakPolarHBondContact O-CB 3.47Å; R729-R732 WeakPolarHBondContact O-CG 3.15Å; R729-R732 PolarHBondContact O-N 3.43Å; N730-R732 VanDerWaalsContact C-N 3.3Å
733	V	95.5	Very high	96.7	Very high	25 Å²	25	45.5 Å²	45.5	15%	0.152	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-98.7	124.1	-175.6	-178.7	0	0	0	0	111.7	Q441 E731 G737 N738 P740	Q441-V733 HydrophobicContact CB-CG1 4.43Å; Q441-V733 HydrophobicContact CG-CG1 4.31Å; E731-V733 PolarHBondContact O-N 2.85Å; V733-G737 PolarHBondContact O-N 3.34Å; V733-N738 PolarHBondContact N-O 3.45Å; V733-N738 PolarHBondContact O-N 2.84Å; V733-P740 HydrophobicContact CG2-CB 3.94Å
734	G	92.6	Very high	96.7	Very high	61 Å²	61	45.4 Å²	45.4	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	-176.1	172.4	0	0	0	0	0	114.6	S736 G737	G734-S736 PolarHBondContact O-N 2.6Å; G734-G737 PolarHBondContact O-N 2.74Å
735	K	91.3	Very high	96.7	Very high	217 Å²	217	45.3 Å²	45.3	94%	0.943	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.5	-177.9	-176.9	175.7	179	177.1	0	113.5	G737	K735-G737 VanDerWaalsContact C-N 3.29Å
736	S	94.3	Very high	96.7	Very high	8 Å²	8	45.3 Å²	45.3	6%	0.056	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14	179.7	66.7	0	0	0	0	113.1	S380 A381 P382 G734 N738 G764	S380-S736 WeakPolarHBondContact CB-O 3.36Å; A381-S736 PolarHBondContact N-O 2.83Å; P382-S736 WeakPolarHBondContact CD-O 3.35Å; G734-S736 PolarHBondContact O-N 2.6Å; S736-N738 WeakPolarHBondContact CB-ND2 3.45Å; S736-N738 PolarHBondContact O-N 3.37Å; S736-N738 PolarHBondContact OG-ND2 2.9Å; S736-G764 PolarHBondContact OG-O 3.16Å
737	G	97.3	Very high	96.6	Very high	10 Å²	10	47.3 Å²	47.3	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	31.3	176.8	0	0	0	0	0	115	V733 G734 K735	V733-G737 PolarHBondContact O-N 3.34Å; G734-G737 PolarHBondContact O-N 2.74Å; K735-G737 VanDerWaalsContact C-N 3.29Å
738	N	98.3	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-81.9	166.9	-175.5	-82.9	-85.1	0	0	0	113.5	V733 S736 G767 S769	V733-N738 PolarHBondContact N-O 3.45Å; V733-N738 PolarHBondContact O-N 2.84Å; S736-N738 WeakPolarHBondContact CB-ND2 3.45Å; S736-N738 PolarHBondContact O-N 3.37Å; S736-N738 PolarHBondContact OG-ND2 2.9Å; N738-G767 PolarHBondContact ND2-O 3.25Å; N738-S769 VanDerWaalsContact OD1-CB 3.32Å; N738-S769 WeakPolarHBondContact OD1-CB 3.49Å; N738-S769 PolarHBondContact OD1-N 2.62Å; N738-S769 PolarHBondContact OD1-OG 3.25Å
739	I	98.4	Very high	96.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-59.3	149.2	165	58.3	170.2	0	0	0	111.6	L49 L724 T743 C760	L49-I739 HydrophobicContact CD2-CG2 3.66Å; L724-I739 HydrophobicContact CB-CD1 3.88Å; L724-I739 HydrophobicContact CB-CG2 4.47Å; L724-I739 HydrophobicContact CD1-CD1 4.26Å; I739-T743 HydrophobicContact CB-CG2 4.39Å; I739-T743 HydrophobicContact CD1-CG2 3.87Å; I739-C760 HydrophobicContact CD1-CB 3.41Å; I739-C760 VanDerWaalsContact CD1-CB 3.41Å; I739-C760 HydrophobicContact CG1-CB 4.18Å
740	P	98.3	Very high	96.8	Very high	10 Å²	10	35.2 Å²	35.2	7%	0.065	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-67.9	152.4	178.6	26.3	-32.7	0	0	0	112.3	I47 V421 V733 G742 T743	I47-P740 HydrophobicContact CD1-CG 3.8Å; V421-P740 HydrophobicContact CG1-CB 4.43Å; V421-P740 HydrophobicContact CG1-CG 4.25Å; V421-P740 HydrophobicContact CG2-CG 3.79Å; V733-P740 HydrophobicContact CG2-CB 3.94Å; P740-G742 PolarHBondContact O-N 3.38Å; P740-T743 WeakPolarHBondContact CD-OG1 3.22Å; P740-T743 WeakPolarHBondContact CG-OG1 3.5Å; P740-T743 WeakPolarHBondContact O-CB 3.09Å; P740-T743 PolarHBondContact O-N 3.09Å; P740-T743 PolarHBondContact O-OG1 3.48Å
741	A	98.4	Very high	96.8	Very high	7 Å²	7	28.9 Å²	28.9	6%	0.058	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.4	171.7	0	0	0	0	0	110.4	C760 Y793	A741-C760 CarbonylContact C-O 3.57Å; A741-C760 WeakPolarHBondContact CA-O 3.45Å; A741-Y793 PolarHBondContact O-OH 3.3Å
742	G	98.4	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-4.9	-175.6	0	0	0	0	0	114	L422 P740 T744 C760 Y793	L422-G742 PolarHBondContact N-O 3.16Å; P740-G742 PolarHBondContact O-N 3.38Å; G742-T744 PolarHBondContact O-N 3.29Å; G742-T744 PolarHBondContact O-OG1 2.93Å; G742-C760 PolarHBondContact N-O 2.96Å; G742-Y793 PolarHBondContact N-OH 2.89Å
743	T	98.8	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	122.4	173.7	-59.6	0	0	0	0	110.5	I47 L49 R420 I739 P740 C760	I47-T743 HydrophobicContact CG2-CG2 4.22Å; L49-T743 HydrophobicContact CD1-CG2 3.56Å; L49-T743 HydrophobicContact CD2-CG2 4.33Å; R420-T743 CarbonylContact O-C 3.58Å; R420-T743 WeakPolarHBondContact O-CA 3.17Å; I739-T743 HydrophobicContact CB-CG2 4.39Å; I739-T743 HydrophobicContact CD1-CG2 3.87Å; P740-T743 WeakPolarHBondContact CD-OG1 3.22Å; P740-T743 WeakPolarHBondContact CG-OG1 3.5Å; P740-T743 WeakPolarHBondContact O-CB 3.09Å; P740-T743 PolarHBondContact O-N 3.09Å; P740-T743 PolarHBondContact O-OG1 3.48Å; T743-C760 PolarHBondContact O-N 2.57Å
744	T	98.9	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137	-173.1	-54.5	0	0	0	0	109.6	G419 R420 L422 G742 F757 Y758 L759 Q789	G419-T744 CarbonylContact C-O 3.57Å; G419-T744 WeakPolarHBondContact CA-O 3.34Å; R420-T744 PolarHBondContact N-O 3.23Å; R420-T744 PolarHBondContact O-N 3.13Å; L422-T744 WeakPolarHBondContact CD1-OG1 3.25Å; L422-T744 WeakPolarHBondContact CG-OG1 3.34Å; G742-T744 PolarHBondContact O-N 3.29Å; G742-T744 PolarHBondContact O-OG1 2.93Å; T744-F757 HydrophobicContact CG2-CD2 4.45Å; T744-Y758 CarbonylContact C-O 3.58Å; T744-Y758 WeakPolarHBondContact CA-O 3.28Å; T744-L759 VanDerWaalsContact OG1-CD1 3.31Å; T744-L759 WeakPolarHBondContact OG1-CD1 3.44Å; T744-Q789 HydrophobicContact CG2-CG 4.14Å
745	V	98.8	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.4	177.9	177.8	0	0	0	0	108.8	L49 V417 L724 I749 F757 Y758	L49-V745 HydrophobicContact CD1-CG2 3.66Å; V417-V745 HydrophobicContact CG1-CG1 4.41Å; V417-V745 HydrophobicContact CG1-CG2 4.48Å; V417-V745 HydrophobicContact CG2-CG1 3.64Å; L724-V745 HydrophobicContact CD1-CG2 3.81Å; L724-V745 HydrophobicContact CD2-CG2 4.36Å; V745-I749 HydrophobicContact CG1-CD1 4.03Å; V745-I749 HydrophobicContact CG1-CG1 3.86Å; V745-F757 WeakPolarHBondContact O-CA 3.42Å; V745-Y758 PolarHBondContact N-O 3.32Å; V745-Y758 PolarHBondContact O-N 3.42Å
746	D	98.4	Very high	97	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	8%	0.078	C	C	.	.			trans	-124.9	11	177.6	57.5	-19.6	0	0	0	112.8	R37 F40 G41 R420 T750 F757 Q789	R37-D746 PolarHBondContact NH1-O 2.88Å; F40-D746 WeakPolarHBondContact CD1-O 3.33Å; F40-D746 WeakPolarHBondContact CE1-O 3.16Å; G41-D746 PolarHBondContact N-OD2 3.48Å; R420-D746 IonicContact CZ-OD1 2.75Å; R420-D746 IonicContact NE-OD1 3.29Å; R420-D746 IonicContact NH2-OD1 3.61Å; R420-D746 PolarHBondContact NH2-OD1 2.98Å; R420-D746 IonicContact NH2-OD2 3.51Å; R420-D746 PolarHBondContact NH2-OD2 3.28Å; D746-T750 PolarHBondContact O-OG1 3.02Å; D746-F757 HydrophobicContact CB-CB 3.81Å; D746-Q789 PolarHBondContact OD2-NE2 3.02Å
747	T	97.1	Very high	97.2	Very high	44 Å²	44	13.4 Å²	13.4	27%	0.27	8%	0.076	S	C	.	.	S	Bend	trans	-125.1	162.9	-179.5	63.7	0	0	0	0	111.7	F40 I749 T750	F40-T747 HydrophobicContact CD1-CG2 3.63Å; F40-T747 HydrophobicContact CE1-CG2 4Å; F40-T747 HydrophobicContact CG-CG2 4.34Å; T747-I749 PolarHBondContact O-N 3.14Å; T747-T750 PolarHBondContact N-OG1 3.14Å
748	K	95.6	Very high	97.3	Very high	61 Å²	61	13.1 Å²	13.1	27%	0.265	7%	0.071	S	C	.	.	S	Bend	trans	63.4	-54.8	170.5	-158.6	173.2	-174.5	-179.5	0	116.7	S218 W220 T415 E416 V417	S218-K748 WeakPolarHBondContact CB-O 3.34Å; S218-K748 PolarHBondContact OG-O 3.29Å; S218-K748 VanDerWaalsContact OG-O 3.14Å; W220-K748 HydrophobicContact CB-CG 4.28Å; T415-K748 HydrophobicContact CG2-CD 3.71Å; T415-K748 HydrophobicContact CG2-CG 4.17Å; E416-K748 WeakPolarHBondContact O-CD 3.46Å; E416-K748 WeakPolarHBondContact O-CE 3.28Å; E416-K748 PolarHBondContact O-NZ 3.24Å; V417-K748 HydrophobicContact CG2-CB 3.96Å
749	I	97.4	Very high	97.3	Very high	3 Å²	3	13 Å²	13	2%	0.015	7%	0.071	C	C	.	.	S	Bend	trans	-102	-3.1	-176.2	62.6	168.2	0	0	0	113.7	A51 F53 T415 T722 L724 V745 T747 Y758	A51-I749 HydrophobicContact CB-CD1 3.87Å; A51-I749 HydrophobicContact CB-CG2 4.12Å; F53-I749 HydrophobicContact CB-CG2 4.16Å; F53-I749 HydrophobicContact CD1-CB 3.94Å; F53-I749 HydrophobicContact CD1-CG2 3.98Å; F53-I749 HydrophobicContact CE1-CB 4.15Å; F53-I749 HydrophobicContact CG-CB 4.41Å; F53-I749 HydrophobicContact CG-CG2 4.12Å; T415-I749 HydrophobicContact CG2-CG2 4.26Å; T722-I749 HydrophobicContact CG2-CD1 4.2Å; L724-I749 HydrophobicContact CD2-CD1 3.94Å; V745-I749 HydrophobicContact CG1-CD1 4.03Å; V745-I749 HydrophobicContact CG1-CG1 3.86Å; T747-I749 PolarHBondContact O-N 3.14Å; I749-Y758 HydrophobicContact CD1-CD2 4.25Å; I749-Y758 HydrophobicContact CD1-CE2 4.2Å; I749-Y758 HydrophobicContact CG1-CE2 4.35Å
750	T	97.2	Very high	97.3	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.071	C	C	.	.	S	Bend	trans	-86.5	169	176.5	43.3	0	0	0	0	112.1	S218 L219 D746 T747 D756 Y758	S218-T750 CarbonylContact C-O 3.53Å; S218-T750 WeakPolarHBondContact CA-O 3.36Å; L219-T750 WeakPolarHBondContact CD1-OG1 3.36Å; L219-T750 PolarHBondContact N-O 3.14Å; D746-T750 PolarHBondContact O-OG1 3.02Å; T747-T750 PolarHBondContact N-OG1 3.14Å; T750-D756 WeakPolarHBondContact CB-OD1 3.35Å; T750-Y758 HydrophobicContact CG2-CD2 4.06Å; T750-Y758 HydrophobicContact CG2-CE2 4.17Å
751	H	95.4	Very high	97.4	Very high	30 Å²	30	12.5 Å²	12.5	14%	0.139	7%	0.068	C	C	.	.			trans	-57.5	140.4	-176.4	-168.7	-83.3	0	0	0	112.3	R37 L219 S753 E754 D756	R37-H751 PolarHBondContact NH2-O 3.37Å; L219-H751 WeakPolarHBondContact CG-O 3.06Å; H751-S753 PolarHBondContact CE1-OG 3.12Å; H751-S753 PolarHBondContact ND1-N 2.57Å; H751-S753 PolarHBondContact O-N 2.81Å; H751-E754 HydrophobicContact CB-CB 4.3Å; H751-E754 IonicContact CD2-OE2 3.94Å; H751-E754 PolarHBondContact CD2-OE2 2.85Å; H751-E754 VanDerWaalsContact CE1-CG 3.43Å; H751-E754 WeakPolarHBondContact CE1-CG 3.28Å; H751-E754 IonicContact CE1-OE2 3.9Å; H751-E754 IonicContact CG-OE2 3.95Å; H751-E754 VanDerWaalsContact ND1-CB 3.33Å; H751-E754 WeakPolarHBondContact ND1-CB 3.35Å; H751-E754 WeakPolarHBondContact ND1-CG 3.44Å; H751-E754 PolarHBondContact ND1-N 3.32Å; H751-E754 IonicContact ND1-OE2 2.97Å; H751-E754 IonicContact NE2-OE2 3.55Å; H751-E754 PolarHBondContact NE2-OE2 3.01Å; H751-D756 VanDerWaalsContact CB-OD1 3.29Å; H751-D756 WeakPolarHBondContact CB-OD1 3.45Å; H751-D756 VanDerWaalsContact N-CG 3.31Å; H751-D756 PolarHBondContact N-OD1 3.28Å; H751-D756 PolarHBondContact N-OD2 2.9Å
752	P	93	Very high	97.4	Very high	17 Å²	17	13.7 Å²	13.7	11%	0.11	7%	0.072	C	C	.	.	S	Bend	trans	-63.5	-31.5	-174.1	22.5	-35.3	0	0	0	115.6	L156 V163 P217 L219	L156-P752 HydrophobicContact CD2-CG 4.36Å; V163-P752 HydrophobicContact CG2-CG 3.69Å; P217-P752 HydrophobicContact CB-CG 4.35Å; L219-P752 WeakPolarHBondContact CD2-O 3.45Å
753	S	91.6	Very high	97.3	Very high	39 Å²	39	14.6 Å²	14.6	27%	0.273	8%	0.08	S	C	.	.	S	Bend	trans	-127	-47.2	-176.2	57.2	0	0	0	0	114	P36 R37 H751	P36-S753 CarbonylContact C-O 3.56Å; P36-S753 WeakPolarHBondContact CA-O 3.07Å; R37-S753 PolarHBondContact N-O 2.93Å; H751-S753 PolarHBondContact CE1-OG 3.12Å; H751-S753 PolarHBondContact ND1-N 2.57Å; H751-S753 PolarHBondContact O-N 2.81Å
754	E	95.5	Very high	97	Very high	49 Å²	49	15.2 Å²	15.2	23%	0.229	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-62.5	160.4	178	-57.1	171.9	164.9	0	0	114.3	P34 R37 H751 D756 H775	P34-E754 HydrophobicContact CB-CG 4.13Å; R37-E754 PolarHBondContact NH2-O 2.98Å; H751-E754 HydrophobicContact CB-CB 4.3Å; H751-E754 IonicContact CD2-OE2 3.94Å; H751-E754 PolarHBondContact CD2-OE2 2.85Å; H751-E754 VanDerWaalsContact CE1-CG 3.43Å; H751-E754 WeakPolarHBondContact CE1-CG 3.28Å; H751-E754 IonicContact CE1-OE2 3.9Å; H751-E754 IonicContact CG-OE2 3.95Å; H751-E754 VanDerWaalsContact ND1-CB 3.33Å; H751-E754 WeakPolarHBondContact ND1-CB 3.35Å; H751-E754 WeakPolarHBondContact ND1-CG 3.44Å; H751-E754 PolarHBondContact ND1-N 3.32Å; H751-E754 IonicContact ND1-OE2 2.97Å; H751-E754 IonicContact NE2-OE2 3.55Å; H751-E754 PolarHBondContact NE2-OE2 3.01Å; E754-D756 PolarHBondContact O-N 3.34Å; E754-H775 IonicContact OE2-CE1 2.81Å; E754-H775 PolarHBondContact OE2-CE1 2.75Å; E754-H775 IonicContact OE2-NE2 3.4Å; E754-H775 PolarHBondContact OE2-NE2 3Å
755	F	98.1	Very high	96.6	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.117	C	C	.	.			trans	-89.5	94.4	-177.8	-173.7	13.6	0	0	0	112.5	P35 R37 P38 F757 V776 S785 L788	P35-F755 PolarHBondContact O-N 3.01Å; R37-F755 HydrophobicContact CG-CD1 4.38Å; P38-F755 HydrophobicContact CG-CD2 4.02Å; P38-F755 HydrophobicContact CG-CE1 4.41Å; P38-F755 HydrophobicContact CG-CE2 3.75Å; P38-F755 HydrophobicContact CG-CG 4.47Å; P38-F755 HydrophobicContact CG-CZ 3.97Å; F755-F757 HydrophobicContact CE1-CD1 4.27Å; F755-V776 HydrophobicContact CB-CB 4.06Å; F755-V776 HydrophobicContact CB-CG2 4.34Å; F755-V776 HydrophobicContact CD1-CG2 4.39Å; F755-V776 HydrophobicContact CD2-CB 3.8Å; F755-V776 HydrophobicContact CD2-CG1 4.12Å; F755-V776 HydrophobicContact CD2-CG2 3.57Å; F755-V776 HydrophobicContact CE2-CG2 3.9Å; F755-V776 HydrophobicContact CG-CB 4.06Å; F755-V776 HydrophobicContact CG-CG2 3.83Å; F755-V776 HydrophobicContact CZ-CG2 4.44Å; F755-V776 PolarHBondContact O-N 3.42Å; F755-S785 WeakPolarHBondContact CE1-OG 3.46Å; F755-L788 HydrophobicContact CE2-CD2 3.8Å; F755-L788 HydrophobicContact CZ-CB 4.34Å; F755-L788 HydrophobicContact CZ-CD2 3.82Å
756	D	98.3	Very high	96.1	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.7	176	72	-36	0	0	0	113.7	R37 T750 H751 E754 H773 Y774 H775	R37-D756 IonicContact CZ-OD1 2.74Å; R37-D756 PolarHBondContact NH1-O 2.83Å; R37-D756 IonicContact NH1-OD1 2.59Å; R37-D756 IonicContact NH2-OD1 3.87Å; R37-D756 PolarHBondContact NH2-OD1 2.76Å; T750-D756 WeakPolarHBondContact CB-OD1 3.35Å; H751-D756 VanDerWaalsContact CB-OD1 3.29Å; H751-D756 WeakPolarHBondContact CB-OD1 3.45Å; H751-D756 VanDerWaalsContact N-CG 3.31Å; H751-D756 PolarHBondContact N-OD1 3.28Å; H751-D756 PolarHBondContact N-OD2 2.9Å; E754-D756 PolarHBondContact O-N 3.34Å; D756-H773 IonicContact OD2-CE1 3.19Å; D756-H773 IonicContact OD2-NE2 2.6Å; D756-H773 PolarHBondContact OD2-NE2 3.29Å; D756-H773 VanDerWaalsContact OD2-NE2 3.14Å; D756-Y774 CarbonylContact C-O 3.56Å; D756-Y774 WeakPolarHBondContact CA-O 3.4Å; D756-Y774 WeakPolarHBondContact CB-O 3.41Å; D756-H775 HydrophobicContact CB-CB 4.28Å
757	F	98.8	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.4	175.3	60.9	-88.8	0	0	0	112.4	T744 V745 D746 F755 L759 Y774 L788 Q789	T744-F757 HydrophobicContact CG2-CD2 4.45Å; V745-F757 WeakPolarHBondContact O-CA 3.42Å; D746-F757 HydrophobicContact CB-CB 3.81Å; F755-F757 HydrophobicContact CE1-CD1 4.27Å; F757-L759 HydrophobicContact CD2-CB 4.27Å; F757-L759 HydrophobicContact CE2-CB 4.26Å; F757-Y774 AromaticContact CD2-CD2 3.93Å; F757-Y774 HydrophobicContact CD2-CD2 3.93Å; F757-Y774 HydrophobicContact CD2-CG 4.33Å; F757-Y774 AromaticContact CE2-CD2 3.51Å; F757-Y774 HydrophobicContact CE2-CD2 3.51Å; F757-Y774 HydrophobicContact CE2-CE2 4.33Å; F757-Y774 AromaticContact CE2-CG 3.69Å; F757-Y774 HydrophobicContact CE2-CG 3.69Å; F757-Y774 HydrophobicContact CZ-CD2 4.16Å; F757-Y774 AromaticContact CZ-CG 3.83Å; F757-Y774 HydrophobicContact CZ-CG 3.83Å; F757-Y774 PolarHBondContact N-O 3.16Å; F757-Y774 PolarHBondContact O-N 3.39Å; F757-L788 HydrophobicContact CE1-CD2 4.15Å; F757-L788 HydrophobicContact CE1-CG 4.27Å; F757-L788 HydrophobicContact CZ-CG 4.42Å; F757-Q789 HydrophobicContact CD1-CG 4.02Å; F757-Q789 HydrophobicContact CD2-CG 3.76Å; F757-Q789 HydrophobicContact CE1-CG 4.05Å; F757-Q789 HydrophobicContact CE2-CB 4.43Å; F757-Q789 HydrophobicContact CE2-CG 3.79Å; F757-Q789 HydrophobicContact CG-CG 3.88Å; F757-Q789 HydrophobicContact CZ-CG 3.93Å
758	Y	98.9	Very high	95.8	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.7	168.7	-66.3	-83.1	0	0	0	110.1	T722 T744 V745 I749 T750 S772 H773	T722-Y758 HydrophobicContact CG2-CD1 4.31Å; T722-Y758 HydrophobicContact CG2-CE1 3.83Å; T722-Y758 HydrophobicContact CG2-CE2 4.2Å; T722-Y758 PolarHBondContact OG1-OH 3.03Å; T744-Y758 CarbonylContact C-O 3.58Å; T744-Y758 WeakPolarHBondContact CA-O 3.28Å; V745-Y758 PolarHBondContact N-O 3.32Å; V745-Y758 PolarHBondContact O-N 3.42Å; I749-Y758 HydrophobicContact CD1-CD2 4.25Å; I749-Y758 HydrophobicContact CD1-CE2 4.2Å; I749-Y758 HydrophobicContact CG1-CE2 4.35Å; T750-Y758 HydrophobicContact CG2-CD2 4.06Å; T750-Y758 HydrophobicContact CG2-CE2 4.17Å; Y758-S772 CarbonylContact C-O 3.46Å; Y758-S772 WeakPolarHBondContact CA-O 3.28Å; Y758-H773 HydrophobicContact CD1-CB 3.76Å; Y758-H773 AromaticContact CD1-CD2 3.8Å; Y758-H773 HydrophobicContact CE1-CB 3.54Å; Y758-H773 AromaticContact CE1-CD2 3.46Å; Y758-H773 VanDerWaalsContact CE1-CD2 3.46Å; Y758-H773 WeakPolarHBondContact CE1-CD2 3.45Å; Y758-H773 AromaticContact CE1-CG 3.63Å; Y758-H773 AromaticContact CE2-CD2 3.85Å; Y758-H773 AromaticContact CZ-CD2 3.47Å; Y758-H773 VanDerWaalsContact CZ-CD2 3.47Å; Y758-H773 AromaticContact CZ-CG 3.98Å; Y758-H773 AromaticContact CZ-NE2 3.96Å
759	L	98.9	Very high	95.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114	171.9	163.9	67.6	0	0	0	110.2	L422 T744 F757 S761 S772 Y774 T792 Y793	L422-L759 HydrophobicContact CD1-CD1 4.33Å; T744-L759 VanDerWaalsContact OG1-CD1 3.31Å; T744-L759 WeakPolarHBondContact OG1-CD1 3.44Å; F757-L759 HydrophobicContact CD2-CB 4.27Å; F757-L759 HydrophobicContact CE2-CB 4.26Å; L759-S761 PolarHBondContact O-N 2.95Å; L759-S772 PolarHBondContact N-O 2.94Å; L759-S772 PolarHBondContact O-N 3.32Å; L759-S772 VanDerWaalsContact O-N 3.12Å; L759-Y774 HydrophobicContact CB-CD2 4.18Å; L759-Y774 HydrophobicContact CB-CE2 3.76Å; L759-Y774 HydrophobicContact CD2-CE2 4.3Å; L759-Y774 HydrophobicContact CG-CE2 4.41Å; L759-T792 HydrophobicContact CD2-CG2 3.9Å; L759-Y793 HydrophobicContact CD1-CD2 4Å; L759-Y793 HydrophobicContact CD1-CG 4.29Å; L759-Y793 HydrophobicContact CD2-CD2 4.27Å; L759-Y793 HydrophobicContact CD2-CG 4.45Å
760	C	98.8	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	79.5	169	-164.8	0	0	0	0	110.1	I739 A741 G742 T743 H762 P771	I739-C760 HydrophobicContact CD1-CB 3.41Å; I739-C760 VanDerWaalsContact CD1-CB 3.41Å; I739-C760 HydrophobicContact CG1-CB 4.18Å; A741-C760 CarbonylContact C-O 3.57Å; A741-C760 WeakPolarHBondContact CA-O 3.45Å; G742-C760 PolarHBondContact N-O 2.96Å; T743-C760 PolarHBondContact O-N 2.57Å; C760-H762 VanDerWaalsContact C-N 3.25Å; C760-H762 PolarHBondContact O-N 3.4Å; C760-P771 HydrophobicContact CB-CB 3.91Å
761	S	98.6	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-72.7	-10.1	-174.3	55.5	0	0	0	0	115.1	L759 Y793 C796 S805 V806 S807	L759-S761 PolarHBondContact O-N 2.95Å; S761-Y793 WeakPolarHBondContact O-CE2 3.3Å; S761-C796 PolarHBondContact OG-SG 2.91Å; S761-S805 WeakPolarHBondContact O-CB 3.43Å; S761-S805 PolarHBondContact O-OG 2.81Å; S761-V806 WeakPolarHBondContact CB-O 3.39Å; S761-V806 PolarHBondContact OG-O 2.88Å; S761-S807 VanDerWaalsContact OG-C 3.25Å; S761-S807 WeakPolarHBondContact OG-CA 3.47Å; S761-S807 PolarHBondContact OG-O 3.41Å
762	H	98.3	Very high	96	Very high	33 Å²	33	28.1 Å²	28.1	15%	0.153	15%	0.149	C	C	.	.	S	Bend	trans	-120.4	156.8	-168	62.9	-68.4	0	0	0	112.4	C760 R770 S805 S807	C760-H762 VanDerWaalsContact C-N 3.25Å; C760-H762 PolarHBondContact O-N 3.4Å; H762-R770 PolarHBondContact CE1-O 2.83Å; H762-S805 WeakPolarHBondContact CB-O 3.23Å; H762-S807 WeakPolarHBondContact ND1-CB 3.06Å
763	A	96.6	Very high	96.3	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	14%	0.144	C	C	.	.			trans	-76.2	127.8	171.8	0	0	0	0	0	111.1	Q441 I765	Q441-A763 VanDerWaalsContact O-CB 3.28Å; Q441-A763 WeakPolarHBondContact O-CB 3.18Å; A763-I765 PolarHBondContact O-N 3.27Å; A763-I765 VanDerWaalsContact O-N 3.09Å
764	G	93	Very high	96.6	Very high	12 Å²	12	25.6 Å²	25.6	12%	0.124	13%	0.131	C	C	.	.			trans	-73.6	92.8	176	0	0	0	0	0	112.5	S736 S769	S736-G764 PolarHBondContact OG-O 3.16Å; G764-S769 WeakPolarHBondContact CA-OG 3.47Å
765	I	90.4	Very high	96.8	Very high	128 Å²	128	23.5 Å²	23.5	66%	0.656	12%	0.121	S	C	*	.			trans	-73.5	-42.1	-178.5	-56.3	174.8	0	0	0	111.7	A763	A763-I765 PolarHBondContact O-N 3.27Å; A763-I765 VanDerWaalsContact O-N 3.09Å
766	Q	88.6	Confident	96.8	Very high	135 Å²	135	23.4 Å²	23.4	63%	0.631	12%	0.121	S	C	*	.	S	Bend	trans	-143.9	145	-175.2	-178.2	-178.7	-11.5	0	0	109.5
767	G	93.1	Very high	96.8	Very high	16 Å²	16	23.3 Å²	23.3	17%	0.165	12%	0.12	C	C	.	.	S	Bend	trans	71.8	-156.2	177.6	0	0	0	0	0	112.2	R379 N738	R379-G767 CarbonylContact O-C 3.58Å; R379-G767 WeakPolarHBondContact O-CA 3.1Å; N738-G767 PolarHBondContact ND2-O 3.25Å
768	T	96.3	Very high	96.8	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.135	13%	0.129	C	C	.	.			trans	-101.1	131.4	171.3	-48.8	0	0	0	0	110	R379 S380 A381 R384 F725	R379-T768 PolarHBondContact O-N 2.7Å; R379-T768 PolarHBondContact O-OG1 3.41Å; S380-T768 PolarHBondContact O-OG1 3.31Å; A381-T768 WeakPolarHBondContact CA-OG1 3.03Å; A381-T768 HydrophobicContact CB-CG2 3.98Å; R384-T768 WeakPolarHBondContact CB-OG1 3.36Å; R384-T768 WeakPolarHBondContact CD-OG1 3.44Å; F725-T768 HydrophobicContact CE1-CG2 3.73Å; F725-T768 HydrophobicContact CZ-CG2 4.37Å
769	S	96.6	Very high	96.8	Very high	8 Å²	8	26.5 Å²	26.5	6%	0.056	13%	0.134	C	C	.	.			trans	-67.2	150.9	-178.4	-55.7	0	0	0	0	111	N738 G764	N738-S769 VanDerWaalsContact OD1-CB 3.32Å; N738-S769 WeakPolarHBondContact OD1-CB 3.49Å; N738-S769 PolarHBondContact OD1-N 2.62Å; N738-S769 PolarHBondContact OD1-OG 3.25Å; G764-S769 WeakPolarHBondContact CA-OG 3.47Å
770	R	96.9	Very high	96.7	Very high	106 Å²	106	29.1 Å²	29.1	40%	0.4	15%	0.148	S	C	.	.			trans	-107.5	103.6	174.3	-63.8	-172.7	179.6	-151.5	-1.4	108.5	H762 S772	H762-R770 PolarHBondContact CE1-O 2.83Å; R770-S772 PolarHBondContact O-N 2.87Å
771	P	98.2	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.			trans	-69.7	114	178.6	28.6	-32.8	0	0	0	108.7	H720 L724 C760 H773	H720-P771 PolarHBondContact CE1-O 2.77Å; H720-P771 PolarHBondContact NE2-O 2.82Å; L724-P771 HydrophobicContact CD1-CB 3.99Å; L724-P771 HydrophobicContact CD1-CG 3.92Å; L724-P771 HydrophobicContact CG-CG 4.06Å; C760-P771 HydrophobicContact CB-CB 3.91Å; P771-H773 PolarHBondContact O-N 3.48Å
772	S	98.4	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	138.3	-176.7	-64.5	0	0	0	0	110.5	Y758 L759 R770 Y774 S807 I808	Y758-S772 CarbonylContact C-O 3.46Å; Y758-S772 WeakPolarHBondContact CA-O 3.28Å; L759-S772 PolarHBondContact N-O 2.94Å; L759-S772 PolarHBondContact O-N 3.32Å; L759-S772 VanDerWaalsContact O-N 3.12Å; R770-S772 PolarHBondContact O-N 2.87Å; S772-Y774 WeakPolarHBondContact O-CD2 3.41Å; S772-Y774 WeakPolarHBondContact O-CE2 3.08Å; S772-S807 WeakPolarHBondContact CB-O 3.28Å; S772-S807 PolarHBondContact OG-O 3.12Å; S772-I808 WeakPolarHBondContact OG-CG2 3.33Å
773	H	98.6	Very high	96.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.6	178.9	-176.3	-130.4	0	0	0	109.8	V716 Q717 D756 Y758 P771	V716-H773 WeakPolarHBondContact CA-O 3.48Å; Q717-H773 HydrophobicContact CB-CB 4.2Å; Q717-H773 PolarHBondContact N-O 3.02Å; Q717-H773 PolarHBondContact O-N 3.4Å; Q717-H773 PolarHBondContact OE1-ND1 3.11Å; D756-H773 IonicContact OD2-CE1 3.19Å; D756-H773 IonicContact OD2-NE2 2.6Å; D756-H773 PolarHBondContact OD2-NE2 3.29Å; D756-H773 VanDerWaalsContact OD2-NE2 3.14Å; Y758-H773 HydrophobicContact CD1-CB 3.76Å; Y758-H773 AromaticContact CD1-CD2 3.8Å; Y758-H773 HydrophobicContact CE1-CB 3.54Å; Y758-H773 AromaticContact CE1-CD2 3.46Å; Y758-H773 VanDerWaalsContact CE1-CD2 3.46Å; Y758-H773 WeakPolarHBondContact CE1-CD2 3.45Å; Y758-H773 AromaticContact CE1-CG 3.63Å; Y758-H773 AromaticContact CE2-CD2 3.85Å; Y758-H773 AromaticContact CZ-CD2 3.47Å; Y758-H773 VanDerWaalsContact CZ-CD2 3.47Å; Y758-H773 AromaticContact CZ-CG 3.98Å; Y758-H773 AromaticContact CZ-NE2 3.96Å; P771-H773 PolarHBondContact O-N 3.48Å
774	Y	98.7	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.1	-179.8	-60.8	-92.8	0	0	0	107.8	Y676 V714 V715 V716 D756 F757 L759 S772 T792 P809	Y676-Y774 HydrophobicContact CD1-CD1 4.5Å; Y676-Y774 HydrophobicContact CE1-CD1 4.24Å; Y676-Y774 HydrophobicContact CE1-CE1 4.31Å; V714-Y774 HydrophobicContact CG1-CD1 4.07Å; V715-Y774 VanDerWaalsContact O-CA 3.32Å; V715-Y774 WeakPolarHBondContact O-CA 3.42Å; V716-Y774 HydrophobicContact CB-CE1 4.35Å; V716-Y774 HydrophobicContact CG1-CD1 4.31Å; V716-Y774 HydrophobicContact CG1-CE1 3.8Å; V716-Y774 HydrophobicContact CG2-CD1 3.84Å; V716-Y774 HydrophobicContact CG2-CE1 3.75Å; D756-Y774 CarbonylContact C-O 3.56Å; D756-Y774 WeakPolarHBondContact CA-O 3.4Å; D756-Y774 WeakPolarHBondContact CB-O 3.41Å; F757-Y774 AromaticContact CD2-CD2 3.93Å; F757-Y774 HydrophobicContact CD2-CD2 3.93Å; F757-Y774 HydrophobicContact CD2-CG 4.33Å; F757-Y774 AromaticContact CE2-CD2 3.51Å; F757-Y774 HydrophobicContact CE2-CD2 3.51Å; F757-Y774 HydrophobicContact CE2-CE2 4.33Å; F757-Y774 AromaticContact CE2-CG 3.69Å; F757-Y774 HydrophobicContact CE2-CG 3.69Å; F757-Y774 HydrophobicContact CZ-CD2 4.16Å; F757-Y774 AromaticContact CZ-CG 3.83Å; F757-Y774 HydrophobicContact CZ-CG 3.83Å; F757-Y774 PolarHBondContact N-O 3.16Å; F757-Y774 PolarHBondContact O-N 3.39Å; L759-Y774 HydrophobicContact CB-CD2 4.18Å; L759-Y774 HydrophobicContact CB-CE2 3.76Å; L759-Y774 HydrophobicContact CD2-CE2 4.3Å; L759-Y774 HydrophobicContact CG-CE2 4.41Å; S772-Y774 WeakPolarHBondContact O-CD2 3.41Å; S772-Y774 WeakPolarHBondContact O-CE2 3.08Å; Y774-T792 HydrophobicContact CD1-CG2 3.7Å; Y774-T792 HydrophobicContact CD2-CG2 4.4Å; Y774-T792 HydrophobicContact CE1-CG2 3.24Å; Y774-T792 HydrophobicContact CE2-CG2 4.04Å; Y774-T792 HydrophobicContact CG-CG2 4.25Å; Y774-T792 VanDerWaalsContact CZ-CG2 3.42Å; Y774-P809 HydrophobicContact CE1-CG 3.97Å; Y774-P809 WeakPolarHBondContact OH-CD 3.47Å
775	H	98.6	Very high	97	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.9	179.6	-161.7	117.6	0	0	0	108.7	F685 V715 E754 D756 L777	F685-H775 HydrophobicContact CE2-CB 4.16Å; F685-H775 AromaticContact CE2-CG 3.79Å; F685-H775 AromaticContact CE2-ND1 3.87Å; F685-H775 HydrophobicContact CZ-CB 4.33Å; V715-H775 PolarHBondContact N-O 3.04Å; V715-H775 PolarHBondContact O-N 3.19Å; E754-H775 IonicContact OE2-CE1 2.81Å; E754-H775 PolarHBondContact OE2-CE1 2.75Å; E754-H775 IonicContact OE2-NE2 3.4Å; E754-H775 PolarHBondContact OE2-NE2 3Å; D756-H775 HydrophobicContact CB-CB 4.28Å; H775-L777 PolarHBondContact O-N 3.48Å
776	V	98.6	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.6	-178.7	-172.6	0	0	0	0	108.3	P35 T712 F713 V714 F755 W778 D779 L788	P35-V776 WeakPolarHBondContact CD-O 3.38Å; P35-V776 HydrophobicContact CG-CB 4.42Å; P35-V776 HydrophobicContact CG-CG1 3.9Å; T712-V776 HydrophobicContact CG2-CG1 4.31Å; F713-V776 CarbonylContact O-C 3.53Å; F713-V776 WeakPolarHBondContact O-CA 3.11Å; V714-V776 HydrophobicContact CG2-CG2 4.37Å; F755-V776 HydrophobicContact CB-CB 4.06Å; F755-V776 HydrophobicContact CB-CG2 4.34Å; F755-V776 HydrophobicContact CD1-CG2 4.39Å; F755-V776 HydrophobicContact CD2-CB 3.8Å; F755-V776 HydrophobicContact CD2-CG1 4.12Å; F755-V776 HydrophobicContact CD2-CG2 3.57Å; F755-V776 HydrophobicContact CE2-CG2 3.9Å; F755-V776 HydrophobicContact CG-CB 4.06Å; F755-V776 HydrophobicContact CG-CG2 3.83Å; F755-V776 HydrophobicContact CZ-CG2 4.44Å; F755-V776 PolarHBondContact O-N 3.42Å; V776-W778 WeakPolarHBondContact CG1-O 3.47Å; V776-D779 HydrophobicContact CG1-CB 3.97Å; V776-L788 HydrophobicContact CG2-CD2 3.45Å; V776-L788 VanDerWaalsContact CG2-CD2 3.45Å
777	L	97.9	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-17.2	-179.2	-63.3	-171.8	0	0	0	112.9	P34 F685 L689 F713 V715 H775	P34-L777 WeakPolarHBondContact CA-O 3.5Å; P34-L777 HydrophobicContact CG-CD2 4.1Å; F685-L777 HydrophobicContact CB-CD1 4.01Å; F685-L777 HydrophobicContact CB-CD2 4.06Å; F685-L777 HydrophobicContact CD1-CD1 4.32Å; F685-L777 HydrophobicContact CD2-CD2 3.64Å; F685-L777 HydrophobicContact CE2-CD2 4.21Å; F685-L777 HydrophobicContact CG-CD1 4.07Å; F685-L777 HydrophobicContact CG-CD2 3.94Å; L689-L777 HydrophobicContact CB-CD1 4.27Å; L689-L777 HydrophobicContact CD1-CB 3.89Å; L689-L777 HydrophobicContact CD2-CB 4.13Å; L689-L777 WeakPolarHBondContact CD2-O 3.48Å; L689-L777 HydrophobicContact CG-CB 4.43Å; F713-L777 HydrophobicContact CD1-CB 4.11Å; F713-L777 HydrophobicContact CD1-CD1 4.28Å; F713-L777 HydrophobicContact CD1-CG 4.47Å; F713-L777 HydrophobicContact CE1-CD1 4.18Å; F713-L777 PolarHBondContact O-N 3.03Å; V715-L777 HydrophobicContact CG2-CD1 3.4Å; V715-L777 VanDerWaalsContact CG2-CD1 3.4Å; V715-L777 HydrophobicContact CG2-CG 3.9Å; H775-L777 PolarHBondContact O-N 3.48Å
778	W	98.5	Very high	98.2	Very high	50 Å²	50	28.2 Å²	28.2	19%	0.189	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	142.6	176.5	-166.4	-99.4	0	0	0	109.7	F32 L689 L693 R697 T712 F713 V776 D780	F32-W778 HydrophobicContact CB-CE3 4.17Å; F32-W778 HydrophobicContact CB-CZ3 4.02Å; F32-W778 HydrophobicContact CD1-CE3 4.29Å; F32-W778 AromaticContact CD1-CH2 3.92Å; F32-W778 HydrophobicContact CD1-CH2 3.92Å; F32-W778 AromaticContact CD1-CZ3 3.75Å; F32-W778 HydrophobicContact CD1-CZ3 3.75Å; F32-W778 HydrophobicContact CG-CZ3 4.31Å; L689-W778 HydrophobicContact CD1-CB 4.07Å; L693-W778 HydrophobicContact CD1-CB 4.48Å; L693-W778 HydrophobicContact CD1-CG 4.06Å; L693-W778 HydrophobicContact CD2-CB 4.28Å; L693-W778 HydrophobicContact CD2-CD2 3.58Å; L693-W778 HydrophobicContact CD2-CE3 4.01Å; L693-W778 HydrophobicContact CD2-CG 3.68Å; R697-W778 VanDerWaalsContact NH2-CZ2 3.27Å; T712-W778 CarbonylContact C-O 3.57Å; T712-W778 WeakPolarHBondContact CA-O 3.4Å; F713-W778 HydrophobicContact CB-CB 3.78Å; F713-W778 PolarHBondContact N-O 3.04Å; V776-W778 WeakPolarHBondContact CG1-O 3.47Å; W778-D780 PolarHBondContact NE1-OD1 3.07Å; W778-D780 PolarHBondContact NE1-OD2 2.86Å; W778-D780 VanDerWaalsContact NE1-OD2 3.1Å
779	D	98.4	Very high	98.3	Very high	19 Å²	19	27.2 Å²	27.2	10%	0.102	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	95.8	175.9	-170	23.2	0	0	0	113.2	P35 T712 V776 N781 H782 F783	P35-D779 HydrophobicContact CG-CB 4.23Å; T712-D779 WeakPolarHBondContact CB-OD1 3.35Å; T712-D779 HydrophobicContact CG2-CB 4.21Å; T712-D779 WeakPolarHBondContact CG2-OD1 3.28Å; T712-D779 PolarHBondContact OG1-OD1 2.95Å; V776-D779 HydrophobicContact CG1-CB 3.97Å; D779-N781 WeakPolarHBondContact OD1-CB 3.38Å; D779-N781 PolarHBondContact OD1-N 2.97Å; D779-H782 PolarHBondContact OD1-N 2.89Å; D779-H782 PolarHBondContact OD2-N 2.86Å; D779-F783 PolarHBondContact OD2-N 3.25Å
780	D	98.4	Very high	98.4	Very high	56 Å²	56	28 Å²	28	30%	0.299	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.7	170.4	-58.1	-47.7	0	0	0	112.2	R697 I711 W778	R697-D780 IonicContact NH2-OD1 2.95Å; R697-D780 IonicContact NH2-OD2 2.72Å; I711-D780 PolarHBondContact N-OD2 3.36Å; I711-D780 PolarHBondContact O-N 3.2Å; W778-D780 PolarHBondContact NE1-OD1 3.07Å; W778-D780 PolarHBondContact NE1-OD2 2.86Å; W778-D780 VanDerWaalsContact NE1-OD2 3.1Å
781	N	98.1	Very high	98.5	Very high	32 Å²	32	23 Å²	23	17%	0.171	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-3	-172.7	-64.9	-59.4	0	0	0	113.5	R672 G710 T712 D779 F783	R672-N781 VanDerWaalsContact CD-OD1 3.27Å; R672-N781 WeakPolarHBondContact CD-OD1 3.18Å; R672-N781 WeakPolarHBondContact CG-OD1 3.34Å; G710-N781 PolarHBondContact O-ND2 3.38Å; T712-N781 PolarHBondContact OG1-ND2 3.21Å; D779-N781 WeakPolarHBondContact OD1-CB 3.38Å; D779-N781 PolarHBondContact OD1-N 2.97Å; N781-F783 HydrophobicContact CB-CD2 3.87Å; N781-F783 HydrophobicContact CB-CE2 3.63Å; N781-F783 PolarHBondContact O-N 2.88Å
782	H	97.6	Very high	98.5	Very high	162 Å²	162	23 Å²	23	75%	0.75	12%	0.115	S	C	*	.			trans	51.6	49.1	176.4	-54	-61.4	0	0	0	113.4	D779	D779-H782 PolarHBondContact OD1-N 2.89Å; D779-H782 PolarHBondContact OD2-N 2.86Å
783	F	98.6	Very high	98.5	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.026	12%	0.116	C	C	.	.			trans	-62.3	139	176.9	-81.8	-82.2	0	0	0	111.4	P38 V595 I674 T712 D779 N781 E787 L788 L791	P38-F783 VanDerWaalsContact CG-O 3.29Å; P38-F783 WeakPolarHBondContact CG-O 3.47Å; V595-F783 HydrophobicContact CB-CE1 4.11Å; V595-F783 HydrophobicContact CB-CZ 4.09Å; V595-F783 HydrophobicContact CG2-CE1 4.26Å; V595-F783 HydrophobicContact CG2-CZ 3.72Å; I674-F783 HydrophobicContact CD1-CE2 3.55Å; I674-F783 HydrophobicContact CD1-CZ 3.73Å; T712-F783 HydrophobicContact CG2-CD2 3.97Å; T712-F783 HydrophobicContact CG2-CE2 4.16Å; T712-F783 VanDerWaalsContact OG1-CE2 3.3Å; T712-F783 WeakPolarHBondContact OG1-CE2 3.38Å; D779-F783 PolarHBondContact OD2-N 3.25Å; N781-F783 HydrophobicContact CB-CD2 3.87Å; N781-F783 HydrophobicContact CB-CE2 3.63Å; N781-F783 PolarHBondContact O-N 2.88Å; F783-E787 HydrophobicContact CD1-CB 4.06Å; F783-E787 HydrophobicContact CD1-CG 3.83Å; F783-E787 HydrophobicContact CE1-CG 4.02Å; F783-L788 HydrophobicContact CB-CB 3.98Å; F783-L788 HydrophobicContact CD1-CB 4.18Å; F783-L788 HydrophobicContact CD1-CD1 4.49Å; F783-L788 HydrophobicContact CG-CB 4.18Å; F783-L788 HydrophobicContact CG-CD1 4.38Å; F783-L791 HydrophobicContact CE1-CD2 3.95Å; F783-L791 HydrophobicContact CZ-CD2 4.03Å
784	T	98.7	Very high	98.5	Very high	57 Å²	57	23.6 Å²	23.6	35%	0.35	12%	0.118	S	C	.	.			trans	-73.5	159.2	159.7	62.7	0	0	0	0	110.1	D39 D786 E787 L788	D39-T784 VanDerWaalsContact OD2-CB 3.23Å; D39-T784 WeakPolarHBondContact OD2-CB 3.3Å; D39-T784 WeakPolarHBondContact OD2-CG2 3.49Å; T784-D786 VanDerWaalsContact C-N 3.33Å; T784-D786 PolarHBondContact O-N 3.27Å; T784-E787 PolarHBondContact O-N 2.89Å; T784-E787 VanDerWaalsContact OG1-CB 3.25Å; T784-E787 WeakPolarHBondContact OG1-CB 3.32Å; T784-E787 PolarHBondContact OG1-N 2.93Å; T784-E787 VanDerWaalsContact OG1-N 3.17Å; T784-L788 PolarHBondContact O-N 3.09Å; T784-L788 VanDerWaalsContact O-N 3.09Å
785	S	98.6	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.2	-45.3	174.8	-65.6	0	0	0	0	111.6	D39 F755 Q789	D39-S785 PolarHBondContact O-OG 2.81Å; D39-S785 WeakPolarHBondContact OD1-CA 3.44Å; D39-S785 WeakPolarHBondContact OD1-CB 3.48Å; D39-S785 PolarHBondContact OD1-N 3.12Å; D39-S785 PolarHBondContact OD1-OG 2.92Å; F755-S785 WeakPolarHBondContact CE1-OG 3.46Å; S785-Q789 WeakPolarHBondContact O-CB 3.32Å; S785-Q789 WeakPolarHBondContact O-CG 3.47Å; S785-Q789 PolarHBondContact O-N 3.23Å
786	D	98.6	Very high	98.6	Very high	22 Å²	22	23.4 Å²	23.4	12%	0.118	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-46	179	-84.3	-35.3	0	0	0	111.9	G41 T42 M43 R420 T784 L788 Q789 V790	G41-D786 WeakPolarHBondContact CA-OD1 3.3Å; T42-D786 PolarHBondContact N-OD1 2.9Å; T42-D786 PolarHBondContact N-OD2 3.43Å; T42-D786 PolarHBondContact OG1-OD2 2.94Å; M43-D786 WeakPolarHBondContact CB-OD1 3.41Å; M43-D786 HydrophobicContact CG-CB 4.09Å; M43-D786 PolarHBondContact N-OD1 2.85Å; M43-D786 PolarHBondContact N-OD2 3.2Å; M43-D786 HydrophobicContact SD-CB 4.14Å; R420-D786 IonicContact NH1-OD1 3.95Å; R420-D786 PolarHBondContact NH1-OD1 3.45Å; T784-D786 VanDerWaalsContact C-N 3.33Å; T784-D786 PolarHBondContact O-N 3.27Å; D786-L788 PolarHBondContact O-N 3.11Å; D786-Q789 PolarHBondContact O-N 3Å; D786-V790 VanDerWaalsContact O-CB 3.3Å; D786-V790 WeakPolarHBondContact O-CB 3.36Å; D786-V790 VanDerWaalsContact O-CG2 3.25Å; D786-V790 WeakPolarHBondContact O-CG2 3.16Å; D786-V790 PolarHBondContact O-N 3.4Å
787	E	98.4	Very high	98.6	Very high	45 Å²	45	23.4 Å²	23.4	21%	0.21	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-47.7	-178.5	-168.1	179.1	-177.6	0	0	111.4	P593 L594 V595 F783 T784 L791	P593-E787 HydrophobicContact CB-CG 3.84Å; L594-E787 PolarHBondContact N-OE1 2.93Å; V595-E787 PolarHBondContact N-OE1 3.36Å; V595-E787 VanDerWaalsContact N-OE1 3.1Å; F783-E787 HydrophobicContact CD1-CB 4.06Å; F783-E787 HydrophobicContact CD1-CG 3.83Å; F783-E787 HydrophobicContact CE1-CG 4.02Å; T784-E787 PolarHBondContact O-N 2.89Å; T784-E787 VanDerWaalsContact OG1-CB 3.25Å; T784-E787 WeakPolarHBondContact OG1-CB 3.32Å; T784-E787 PolarHBondContact OG1-N 2.93Å; T784-E787 VanDerWaalsContact OG1-N 3.17Å; E787-L791 WeakPolarHBondContact O-CB 3.5Å; E787-L791 PolarHBondContact O-N 2.91Å
788	L	98.8	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.4	-38.5	-178.8	-174.2	59.5	0	0	0	112.6	V714 F755 F757 V776 F783 T784 D786 L791 T792	V714-L788 HydrophobicContact CG2-CD1 4.46Å; V714-L788 HydrophobicContact CG2-CD2 4.45Å; F755-L788 HydrophobicContact CE2-CD2 3.8Å; F755-L788 HydrophobicContact CZ-CB 4.34Å; F755-L788 HydrophobicContact CZ-CD2 3.82Å; F757-L788 HydrophobicContact CE1-CD2 4.15Å; F757-L788 HydrophobicContact CE1-CG 4.27Å; F757-L788 HydrophobicContact CZ-CG 4.42Å; V776-L788 HydrophobicContact CG2-CD2 3.45Å; V776-L788 VanDerWaalsContact CG2-CD2 3.45Å; F783-L788 HydrophobicContact CB-CB 3.98Å; F783-L788 HydrophobicContact CD1-CB 4.18Å; F783-L788 HydrophobicContact CD1-CD1 4.49Å; F783-L788 HydrophobicContact CG-CB 4.18Å; F783-L788 HydrophobicContact CG-CD1 4.38Å; T784-L788 PolarHBondContact O-N 3.09Å; T784-L788 VanDerWaalsContact O-N 3.09Å; D786-L788 PolarHBondContact O-N 3.11Å; L788-L791 HydrophobicContact CD1-CD2 4.32Å; L788-T792 VanDerWaalsContact O-CB 3.23Å; L788-T792 WeakPolarHBondContact O-CB 3.32Å; L788-T792 PolarHBondContact O-N 3.03Å; L788-T792 PolarHBondContact O-OG1 2.93Å
789	Q	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-44.9	177.5	-71.7	165.3	14.7	0	0	111.1	L422 T744 D746 F757 S785 D786 T792 Y793	L422-Q789 HydrophobicContact CD1-CB 4.17Å; T744-Q789 HydrophobicContact CG2-CG 4.14Å; D746-Q789 PolarHBondContact OD2-NE2 3.02Å; F757-Q789 HydrophobicContact CD1-CG 4.02Å; F757-Q789 HydrophobicContact CD2-CG 3.76Å; F757-Q789 HydrophobicContact CE1-CG 4.05Å; F757-Q789 HydrophobicContact CE2-CB 4.43Å; F757-Q789 HydrophobicContact CE2-CG 3.79Å; F757-Q789 HydrophobicContact CG-CG 3.88Å; F757-Q789 HydrophobicContact CZ-CG 3.93Å; S785-Q789 WeakPolarHBondContact O-CB 3.32Å; S785-Q789 WeakPolarHBondContact O-CG 3.47Å; S785-Q789 PolarHBondContact O-N 3.23Å; D786-Q789 PolarHBondContact O-N 3Å; Q789-T792 PolarHBondContact O-N 3.42Å; Q789-Y793 WeakPolarHBondContact O-CB 3.44Å; Q789-Y793 PolarHBondContact O-N 3.24Å
790	V	98.8	Very high	98.6	Very high	26 Å²	26	21.4 Å²	21.4	16%	0.158	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-48.1	175.5	171.4	0	0	0	0	110.5	M43 L422 P593 D786 T792 Y793 Q794	M43-V790 HydrophobicContact SD-CG2 3.93Å; L422-V790 HydrophobicContact CD2-CG2 4.38Å; P593-V790 HydrophobicContact CG-CG1 4.24Å; D786-V790 VanDerWaalsContact O-CB 3.3Å; D786-V790 WeakPolarHBondContact O-CB 3.36Å; D786-V790 VanDerWaalsContact O-CG2 3.25Å; D786-V790 WeakPolarHBondContact O-CG2 3.16Å; D786-V790 PolarHBondContact O-N 3.4Å; V790-T792 VanDerWaalsContact C-N 3.31Å; V790-T792 PolarHBondContact O-N 3.16Å; V790-Y793 PolarHBondContact O-N 3.45Å; V790-Y793 VanDerWaalsContact O-N 3.14Å; V790-Q794 HydrophobicContact CG1-CG 4.19Å; V790-Q794 VanDerWaalsContact O-CG 3.31Å; V790-Q794 WeakPolarHBondContact O-CG 3.35Å; V790-Q794 PolarHBondContact O-N 2.84Å
791	L	98.8	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.1	-50.4	175.8	176.1	61.5	0	0	0	111.4	P593 V595 F596 F602 F783 E787 L788 Y793 Q794 L795	P593-L791 HydrophobicContact CG-CB 4.03Å; P593-L791 HydrophobicContact CG-CD1 4.34Å; V595-L791 HydrophobicContact CG1-CD1 4.14Å; V595-L791 HydrophobicContact CG1-CD2 4.21Å; F596-L791 HydrophobicContact CE2-CD1 3.61Å; F596-L791 HydrophobicContact CZ-CD1 4.06Å; F602-L791 HydrophobicContact CE1-CD1 3.83Å; F602-L791 HydrophobicContact CE1-CD2 4.16Å; F602-L791 HydrophobicContact CE1-CG 4.36Å; F602-L791 HydrophobicContact CZ-CD1 4.03Å; F783-L791 HydrophobicContact CE1-CD2 3.95Å; F783-L791 HydrophobicContact CZ-CD2 4.03Å; E787-L791 WeakPolarHBondContact O-CB 3.5Å; E787-L791 PolarHBondContact O-N 2.91Å; L788-L791 HydrophobicContact CD1-CD2 4.32Å; L791-Y793 VanDerWaalsContact C-N 3.33Å; L791-Y793 PolarHBondContact O-N 2.89Å; L791-Q794 PolarHBondContact O-N 2.82Å; L791-L795 HydrophobicContact CD1-CD1 4.32Å; L791-L795 HydrophobicContact CD1-CG 4.39Å; L791-L795 HydrophobicContact CG-CD1 4.31Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 2.83Å
792	T	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-43.6	179.1	-59.8	0	0	0	0	111.1	Y676 L759 Y774 L788 Q789 V790 L795 C796 P809	Y676-T792 HydrophobicContact CE1-CG2 4.12Å; Y676-T792 PolarHBondContact OH-OG1 3.29Å; L759-T792 HydrophobicContact CD2-CG2 3.9Å; Y774-T792 HydrophobicContact CD1-CG2 3.7Å; Y774-T792 HydrophobicContact CD2-CG2 4.4Å; Y774-T792 HydrophobicContact CE1-CG2 3.24Å; Y774-T792 HydrophobicContact CE2-CG2 4.04Å; Y774-T792 HydrophobicContact CG-CG2 4.25Å; Y774-T792 VanDerWaalsContact CZ-CG2 3.42Å; L788-T792 VanDerWaalsContact O-CB 3.23Å; L788-T792 WeakPolarHBondContact O-CB 3.32Å; L788-T792 PolarHBondContact O-N 3.03Å; L788-T792 PolarHBondContact O-OG1 2.93Å; Q789-T792 PolarHBondContact O-N 3.42Å; V790-T792 VanDerWaalsContact C-N 3.31Å; V790-T792 PolarHBondContact O-N 3.16Å; T792-L795 PolarHBondContact O-N 2.92Å; T792-C796 PolarHBondContact O-N 2.9Å; T792-C796 PolarHBondContact O-SG 2.83Å; T792-C796 VanDerWaalsContact O-SG 3.36Å; T792-P809 HydrophobicContact CG2-CG 3.89Å
793	Y	98.8	Very high	98.4	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-66.8	-38.8	177.6	-171.3	-138.7	0	0	0	112.6	L422 A424 A741 G742 L759 S761 Q789 V790 L791 C796 H797	L422-Y793 HydrophobicContact CB-CD1 3.69Å; L422-Y793 HydrophobicContact CB-CE1 4.01Å; L422-Y793 HydrophobicContact CD1-CD1 4.29Å; L422-Y793 HydrophobicContact CD1-CG 4.38Å; A424-Y793 HydrophobicContact CB-CE1 4.27Å; A741-Y793 PolarHBondContact O-OH 3.3Å; G742-Y793 PolarHBondContact N-OH 2.89Å; L759-Y793 HydrophobicContact CD1-CD2 4Å; L759-Y793 HydrophobicContact CD1-CG 4.29Å; L759-Y793 HydrophobicContact CD2-CD2 4.27Å; L759-Y793 HydrophobicContact CD2-CG 4.45Å; S761-Y793 WeakPolarHBondContact O-CE2 3.3Å; Q789-Y793 WeakPolarHBondContact O-CB 3.44Å; Q789-Y793 PolarHBondContact O-N 3.24Å; V790-Y793 PolarHBondContact O-N 3.45Å; V790-Y793 VanDerWaalsContact O-N 3.14Å; L791-Y793 VanDerWaalsContact C-N 3.33Å; L791-Y793 PolarHBondContact O-N 2.89Å; Y793-C796 WeakPolarHBondContact O-CB 3.31Å; Y793-C796 PolarHBondContact O-N 2.8Å; Y793-H797 AromaticContact CD2-CE1 3.86Å; Y793-H797 AromaticContact CE1-CE1 3.95Å; Y793-H797 AromaticContact CE2-CE1 3.47Å; Y793-H797 VanDerWaalsContact CE2-CE1 3.47Å; Y793-H797 WeakPolarHBondContact CE2-CE1 3.16Å; Y793-H797 AromaticContact CZ-CE1 3.52Å; Y793-H797 PolarHBondContact O-CE1 2.9Å; Y793-H797 PolarHBondContact O-ND1 2.9Å
794	Q	98.8	Very high	98.4	Very high	11 Å²	11	18.6 Å²	18.6	5%	0.051	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-41.8	176.1	-69	-169	0.5	0	0	112	P425 L587 G591 P593 V790 L791 C796 H797	P425-Q794 HydrophobicContact CB-CG 3.94Å; P425-Q794 HydrophobicContact CG-CB 4.35Å; P425-Q794 HydrophobicContact CG-CG 3.99Å; L587-Q794 HydrophobicContact CD1-CB 3.88Å; L587-Q794 HydrophobicContact CD2-CB 4.19Å; G591-Q794 PolarHBondContact O-NE2 3.48Å; P593-Q794 VanDerWaalsContact CD-OE1 3.25Å; V790-Q794 HydrophobicContact CG1-CG 4.19Å; V790-Q794 VanDerWaalsContact O-CG 3.31Å; V790-Q794 WeakPolarHBondContact O-CG 3.35Å; V790-Q794 PolarHBondContact O-N 2.84Å; L791-Q794 PolarHBondContact O-N 2.82Å; Q794-C796 PolarHBondContact O-N 3.11Å; Q794-H797 WeakPolarHBondContact O-CB 3.42Å; Q794-H797 PolarHBondContact O-N 3.28Å
795	L	98.8	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-25.5	176.2	-68.5	174.2	0	0	0	112.8	F602 P631 Y676 L791 T792 H797 T798 P809 A810	F602-L795 HydrophobicContact CD1-CD1 3.76Å; F602-L795 HydrophobicContact CD1-CD2 4.34Å; F602-L795 HydrophobicContact CE1-CD1 4.04Å; F602-L795 HydrophobicContact CG-CD1 4.5Å; F602-L795 HydrophobicContact CG-CD2 4.42Å; P631-L795 HydrophobicContact CG-CD2 3.76Å; Y676-L795 HydrophobicContact CD2-CD1 4.41Å; Y676-L795 HydrophobicContact CE2-CD1 3.49Å; Y676-L795 VanDerWaalsContact CE2-CD1 3.49Å; L791-L795 HydrophobicContact CD1-CD1 4.32Å; L791-L795 HydrophobicContact CD1-CG 4.39Å; L791-L795 HydrophobicContact CG-CD1 4.31Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 2.83Å; T792-L795 PolarHBondContact O-N 2.92Å; L795-H797 PolarHBondContact O-N 3.48Å; L795-T798 PolarHBondContact O-N 3.05Å; L795-T798 PolarHBondContact O-OG1 3.2Å; L795-P809 HydrophobicContact CB-CB 3.88Å; L795-A810 WeakPolarHBondContact O-CB 3.43Å; L795-A810 PolarHBondContact O-N 3.46Å; L795-A810 VanDerWaalsContact O-N 3.16Å
796	C	98.8	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.7	171.1	-67.5	0	0	0	0	113.9	S761 T792 Y793 Q794 S805 V806	S761-C796 PolarHBondContact OG-SG 2.91Å; T792-C796 PolarHBondContact O-N 2.9Å; T792-C796 PolarHBondContact O-SG 2.83Å; T792-C796 VanDerWaalsContact O-SG 3.36Å; Y793-C796 WeakPolarHBondContact O-CB 3.31Å; Y793-C796 PolarHBondContact O-N 2.8Å; Q794-C796 PolarHBondContact O-N 3.11Å; C796-S805 WeakPolarHBondContact O-CA 3.42Å; C796-V806 WeakPolarHBondContact CB-O 3.42Å; C796-V806 VanDerWaalsContact O-CG2 3.26Å; C796-V806 WeakPolarHBondContact O-CG2 2.89Å; C796-V806 PolarHBondContact O-N 3.21Å
797	H	98.7	Very high	98.3	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.3	177.2	-62.7	74.8	0	0	0	113.5	P425 I427 W444 L587 Y793 Q794 L795 Y799 S805	P425-H797 HydrophobicContact CG-CB 3.99Å; I427-H797 HydrophobicContact CD1-CB 3.88Å; W444-H797 HydrophobicContact CH2-CB 4.21Å; W444-H797 AromaticContact CZ3-CD2 3.71Å; L587-H797 HydrophobicContact CD2-CB 4.44Å; Y793-H797 AromaticContact CD2-CE1 3.86Å; Y793-H797 AromaticContact CE1-CE1 3.95Å; Y793-H797 AromaticContact CE2-CE1 3.47Å; Y793-H797 VanDerWaalsContact CE2-CE1 3.47Å; Y793-H797 WeakPolarHBondContact CE2-CE1 3.16Å; Y793-H797 AromaticContact CZ-CE1 3.52Å; Y793-H797 PolarHBondContact O-CE1 2.9Å; Y793-H797 PolarHBondContact O-ND1 2.9Å; Q794-H797 WeakPolarHBondContact O-CB 3.42Å; Q794-H797 PolarHBondContact O-N 3.28Å; L795-H797 PolarHBondContact O-N 3.48Å; H797-Y799 VanDerWaalsContact C-N 3.3Å; H797-S805 PolarHBondContact CE1-OG 3.43Å; H797-S805 WeakPolarHBondContact NE2-CB 3.31Å
798	T	98.4	Very high	98.3	Very high	7 Å²	7	14.2 Å²	14.2	4%	0.043	7%	0.067	C	C	.	.			trans	-88.1	3.9	-179.5	65	0	0	0	0	113.5	L587 L795 V800 A810 Y814	L587-T798 HydrophobicContact CD1-CG2 3.81Å; L587-T798 HydrophobicContact CD2-CG2 4.02Å; L587-T798 HydrophobicContact CG-CG2 3.75Å; L795-T798 PolarHBondContact O-N 3.05Å; L795-T798 PolarHBondContact O-OG1 3.2Å; T798-V800 PolarHBondContact O-N 2.9Å; T798-A810 WeakPolarHBondContact OG1-CB 3.39Å; T798-Y814 PolarHBondContact O-OH 3.19Å
799	Y	98.5	Very high	98.3	Very high	17 Å²	17	14.2 Å²	14.2	7%	0.067	7%	0.067	C	C	.	.			trans	-74.9	114.4	-178.8	-178	-109.1	0	0	0	111.9	H797 R801 V806 Y813 Y814 L817	H797-Y799 VanDerWaalsContact C-N 3.3Å; Y799-R801 VanDerWaalsContact C-N 3.34Å; Y799-R801 HydrophobicContact CD1-CB 4.22Å; Y799-R801 HydrophobicContact CE1-CB 3.6Å; Y799-R801 HydrophobicContact CE1-CG 4.24Å; Y799-R801 HydrophobicContact CE2-CG 4.49Å; Y799-R801 PolarHBondContact O-N 2.9Å; Y799-R801 WeakPolarHBondContact OH-CD 3.38Å; Y799-V806 HydrophobicContact CD1-CG1 3.42Å; Y799-V806 VanDerWaalsContact CD1-CG1 3.42Å; Y799-V806 HydrophobicContact CD1-CG2 4.42Å; Y799-V806 HydrophobicContact CE1-CG1 3.95Å; Y799-V806 HydrophobicContact CG-CG1 3.93Å; Y799-V806 HydrophobicContact CG-CG2 4.06Å; Y799-Y813 HydrophobicContact CD2-CG 4.28Å; Y799-Y813 AromaticContact CE2-CD1 3.81Å; Y799-Y813 HydrophobicContact CE2-CD1 3.81Å; Y799-Y813 HydrophobicContact CE2-CE1 4.5Å; Y799-Y813 AromaticContact CE2-CG 3.87Å; Y799-Y813 HydrophobicContact CE2-CG 3.87Å; Y799-Y813 AromaticContact CZ-CD1 3.92Å; Y799-Y814 WeakPolarHBondContact CA-OH 3.48Å; Y799-Y814 AromaticContact CD2-CD1 3.99Å; Y799-Y814 HydrophobicContact CD2-CD1 3.99Å; Y799-Y814 AromaticContact CD2-CE1 3.34Å; Y799-Y814 HydrophobicContact CD2-CE1 3.34Å; Y799-Y814 AromaticContact CD2-CZ 3.9Å; Y799-Y814 AromaticContact CE2-CD1 3.87Å; Y799-Y814 HydrophobicContact CE2-CD1 3.87Å; Y799-Y814 AromaticContact CE2-CE1 3.54Å; Y799-Y814 HydrophobicContact CE2-CE1 3.54Å; Y799-Y814 HydrophobicContact CG-CE1 4.46Å; Y799-L817 HydrophobicContact CE2-CD1 4.21Å
800	V	97.8	Very high	98.3	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.024	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.4	-163.8	-63.9	0	0	0	0	115.9	L574 V578 N584 T798 Y814 M865	L574-V800 WeakPolarHBondContact CB-O 3.49Å; V578-V800 HydrophobicContact CB-CG2 4.36Å; V578-V800 HydrophobicContact CG1-CG2 3.97Å; V578-V800 HydrophobicContact CG2-CB 3.67Å; V578-V800 HydrophobicContact CG2-CG1 4.03Å; V578-V800 HydrophobicContact CG2-CG2 3.75Å; N584-V800 PolarHBondContact ND2-O 2.88Å; N584-V800 VanDerWaalsContact ND2-O 3.09Å; T798-V800 PolarHBondContact O-N 2.9Å; V800-Y814 WeakPolarHBondContact CG1-OH 3.3Å; V800-Y814 HydrophobicContact CG2-CE1 4.13Å; V800-Y814 WeakPolarHBondContact CG2-OH 3.41Å; V800-Y814 PolarHBondContact N-OH 2.9Å; V800-M865 HydrophobicContact CG2-CE 4.18Å
801	R	97	Very high	98.3	Very high	81 Å²	81	13 Å²	13	31%	0.306	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.8	-173.4	-63.1	-179.8	57.4	172.9	0.4	114.5	K575 Y799 A868	K575-R801 HydrophobicContact CG-CG 4.31Å; Y799-R801 VanDerWaalsContact C-N 3.34Å; Y799-R801 HydrophobicContact CD1-CB 4.22Å; Y799-R801 HydrophobicContact CE1-CB 3.6Å; Y799-R801 HydrophobicContact CE1-CG 4.24Å; Y799-R801 HydrophobicContact CE2-CG 4.49Å; Y799-R801 PolarHBondContact O-N 2.9Å; Y799-R801 WeakPolarHBondContact OH-CD 3.38Å; R801-A868 WeakPolarHBondContact CD-OXT 3.12Å; R801-A868 WeakPolarHBondContact CG-OXT 3.35Å; R801-A868 PolarHBondContact NE-OXT 2.91Å
802	C	96.7	Very high	98.2	Very high	28 Å²	28	13 Å²	13	19%	0.189	6%	0.06	C	C	.	.	S	Bend	trans	-155.9	159.4	176.2	57.7	0	0	0	0	111.2	R804	C802-R804 HydrophobicContact CB-CG 4.38Å; C802-R804 PolarHBondContact O-N 3.23Å
803	T	97.1	Very high	98.2	Very high	12 Å²	12	15.8 Å²	15.8	7%	0.074	7%	0.071	C	C	.	.	S	Bend	trans	-89.5	56.7	171.4	52.6	0	0	0	0	111.5	Y429 W444 M446	Y429-T803 WeakPolarHBondContact OH-CG2 3.37Å; W444-T803 PolarHBondContact N-O 2.88Å; W444-T803 WeakPolarHBondContact O-CB 3.45Å; W444-T803 PolarHBondContact O-OG1 2.74Å; M446-T803 HydrophobicContact CG-CG2 3.75Å; M446-T803 HydrophobicContact SD-CG2 4.44Å
804	R	97.7	Very high	98.2	Very high	76 Å²	76	15.6 Å²	15.6	29%	0.287	7%	0.07	S	C	.	.	B	Isolated β-bridge	trans	-143.1	148.8	-177.4	-55.7	179.4	70	87.7	2.6	109.9	G442 V443 W444 C802 V806	G442-R804 WeakPolarHBondContact O-CA 3.43Å; V443-R804 HydrophobicContact CG1-CG 4.38Å; V443-R804 HydrophobicContact CG2-CG 4.47Å; V443-R804 VanDerWaalsContact CG2-NH1 3.29Å; W444-R804 VanDerWaalsContact CZ3-CA 3.47Å; C802-R804 HydrophobicContact CB-CG 4.38Å; C802-R804 PolarHBondContact O-N 3.23Å; R804-V806 PolarHBondContact O-N 2.86Å
805	S	98.4	Very high	98.2	Very high	4 Å²	4	15 Å²	15	3%	0.028	7%	0.068	C	C	.	.			trans	-70.3	122.1	164	-174.3	0	0	0	0	109.2	G442 S761 H762 C796 H797	G442-S805 PolarHBondContact O-N 2.73Å; S761-S805 WeakPolarHBondContact O-CB 3.43Å; S761-S805 PolarHBondContact O-OG 2.81Å; H762-S805 WeakPolarHBondContact CB-O 3.23Å; C796-S805 WeakPolarHBondContact O-CA 3.42Å; H797-S805 PolarHBondContact CE1-OG 3.43Å; H797-S805 WeakPolarHBondContact NE2-CB 3.31Å
806	V	98.2	Very high	98	Very high	14 Å²	14	16.9 Å²	16.9	9%	0.085	8%	0.076	C	C	.	.			trans	-88.7	165.9	178.6	-70.7	0	0	0	0	111.6	S761 C796 Y799 R804 I808 Y813	S761-V806 WeakPolarHBondContact CB-O 3.39Å; S761-V806 PolarHBondContact OG-O 2.88Å; C796-V806 WeakPolarHBondContact CB-O 3.42Å; C796-V806 VanDerWaalsContact O-CG2 3.26Å; C796-V806 WeakPolarHBondContact O-CG2 2.89Å; C796-V806 PolarHBondContact O-N 3.21Å; Y799-V806 HydrophobicContact CD1-CG1 3.42Å; Y799-V806 VanDerWaalsContact CD1-CG1 3.42Å; Y799-V806 HydrophobicContact CD1-CG2 4.42Å; Y799-V806 HydrophobicContact CE1-CG1 3.95Å; Y799-V806 HydrophobicContact CG-CG1 3.93Å; Y799-V806 HydrophobicContact CG-CG2 4.06Å; R804-V806 PolarHBondContact O-N 2.86Å; V806-I808 VanDerWaalsContact C-N 3.28Å; V806-I808 WeakPolarHBondContact CG2-O 3.46Å; V806-I808 PolarHBondContact O-N 3.02Å; V806-Y813 HydrophobicContact CB-CD2 4.08Å; V806-Y813 HydrophobicContact CB-CE2 4.11Å; V806-Y813 HydrophobicContact CG1-CE2 4.36Å; V806-Y813 HydrophobicContact CG2-CD2 4.12Å
807	S	97.9	Very high	98	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.049	8%	0.081	C	C	.	.	S	Bend	trans	-72.9	-14.8	-171.2	62	0	0	0	0	115.4	K718 S761 H762 S772	K718-S807 WeakPolarHBondContact CE-OG 3.48Å; K718-S807 PolarHBondContact NZ-OG 3.28Å; S761-S807 VanDerWaalsContact OG-C 3.25Å; S761-S807 WeakPolarHBondContact OG-CA 3.47Å; S761-S807 PolarHBondContact OG-O 3.41Å; H762-S807 WeakPolarHBondContact ND1-CB 3.06Å; S772-S807 WeakPolarHBondContact CB-O 3.28Å; S772-S807 PolarHBondContact OG-O 3.12Å
808	I	98.4	Very high	98	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.031	8%	0.081	C	C	.	.	S	Bend	trans	-144	157.7	-179.1	55.8	175.9	0	0	0	108.1	V716 K718 S772 V806 A812 Y813	V716-I808 HydrophobicContact CG1-CB 4.25Å; V716-I808 HydrophobicContact CG1-CG2 3.66Å; K718-I808 HydrophobicContact CB-CG2 4.29Å; K718-I808 HydrophobicContact CD-CG2 4.33Å; S772-I808 WeakPolarHBondContact OG-CG2 3.33Å; V806-I808 VanDerWaalsContact C-N 3.28Å; V806-I808 WeakPolarHBondContact CG2-O 3.46Å; V806-I808 PolarHBondContact O-N 3.02Å; I808-A812 HydrophobicContact CD1-CB 4.18Å; I808-Y813 HydrophobicContact CD1-CD2 3.96Å; I808-Y813 HydrophobicContact CD1-CG 4.21Å; I808-Y813 HydrophobicContact CG1-CD2 3.5Å; I808-Y813 VanDerWaalsContact CG1-CD2 3.5Å; I808-Y813 HydrophobicContact CG1-CE2 4.2Å; I808-Y813 HydrophobicContact CG1-CG 4.13Å
809	P	98.7	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.			trans	-55	143.6	-179.9	-28.6	38.8	0	0	0	111.6	Y676 Y774 T792 L795 P811 A812 Y813	Y676-P809 HydrophobicContact CD1-CG 3.97Å; Y676-P809 HydrophobicContact CE1-CG 3.88Å; Y676-P809 HydrophobicContact CG-CG 4.35Å; Y774-P809 HydrophobicContact CE1-CG 3.97Å; Y774-P809 WeakPolarHBondContact OH-CD 3.47Å; T792-P809 HydrophobicContact CG2-CG 3.89Å; L795-P809 HydrophobicContact CB-CB 3.88Å; P809-P811 VanDerWaalsContact C-CD 3.45Å; P809-P811 VanDerWaalsContact C-N 3.32Å; P809-P811 HydrophobicContact CB-CG 4.02Å; P809-A812 PolarHBondContact O-N 2.93Å; P809-A812 VanDerWaalsContact O-N 3.12Å; P809-Y813 PolarHBondContact O-N 3Å; P809-Y813 VanDerWaalsContact O-N 3.08Å
810	A	98.6	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-47.3	-44.8	176.9	0	0	0	0	0	114.4	L795 T798 A812 Y813 Y814	L795-A810 WeakPolarHBondContact O-CB 3.43Å; L795-A810 PolarHBondContact O-N 3.46Å; L795-A810 VanDerWaalsContact O-N 3.16Å; T798-A810 WeakPolarHBondContact OG1-CB 3.39Å; A810-A812 PolarHBondContact O-N 3.36Å; A810-Y813 PolarHBondContact O-N 2.82Å; A810-Y814 HydrophobicContact CB-CD2 4.31Å; A810-Y814 HydrophobicContact CB-CE2 3.7Å; A810-Y814 WeakPolarHBondContact O-CB 3.46Å; A810-Y814 WeakPolarHBondContact O-CD2 3.42Å; A810-Y814 PolarHBondContact O-N 3.26Å
811	P	98.6	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.8	-48.1	176.6	15.4	-29.4	0	0	0	113.6	V624 Y634 Y676 P809 Y813 Y814 A815	V624-P811 HydrophobicContact CG2-CB 4.23Å; V624-P811 WeakPolarHBondContact CG2-O 3.22Å; Y634-P811 HydrophobicContact CE1-CB 3.76Å; Y634-P811 HydrophobicContact CE1-CG 4.39Å; Y676-P811 HydrophobicContact CD2-CG 4.19Å; P809-P811 VanDerWaalsContact C-CD 3.45Å; P809-P811 VanDerWaalsContact C-N 3.32Å; P809-P811 HydrophobicContact CB-CG 4.02Å; P811-Y813 VanDerWaalsContact C-N 3.33Å; P811-Y813 PolarHBondContact O-N 3.1Å; P811-Y814 PolarHBondContact O-N 3.12Å; P811-A815 PolarHBondContact O-N 2.92Å
812	A	98.1	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-41.4	177.4	0	0	0	0	0	111.5	I808 P809 A810 Y814 A815 H816	I808-A812 HydrophobicContact CD1-CB 4.18Å; P809-A812 PolarHBondContact O-N 2.93Å; P809-A812 VanDerWaalsContact O-N 3.12Å; A810-A812 PolarHBondContact O-N 3.36Å; A812-Y814 PolarHBondContact O-N 2.9Å; A812-A815 PolarHBondContact O-N 3.08Å; A812-H816 PolarHBondContact O-N 2.96Å
813	Y	98	Very high	97.3	Very high	59 Å²	59	18.5 Å²	18.5	23%	0.231	8%	0.081	C	C	.	.	H	α-helix	trans	-62.8	-41.6	176.6	-139.8	-56.1	0	0	0	112	Y799 V806 I808 P809 A810 P811 H816 L817	Y799-Y813 HydrophobicContact CD2-CG 4.28Å; Y799-Y813 AromaticContact CE2-CD1 3.81Å; Y799-Y813 HydrophobicContact CE2-CD1 3.81Å; Y799-Y813 HydrophobicContact CE2-CE1 4.5Å; Y799-Y813 AromaticContact CE2-CG 3.87Å; Y799-Y813 HydrophobicContact CE2-CG 3.87Å; Y799-Y813 AromaticContact CZ-CD1 3.92Å; V806-Y813 HydrophobicContact CB-CD2 4.08Å; V806-Y813 HydrophobicContact CB-CE2 4.11Å; V806-Y813 HydrophobicContact CG1-CE2 4.36Å; V806-Y813 HydrophobicContact CG2-CD2 4.12Å; I808-Y813 HydrophobicContact CD1-CD2 3.96Å; I808-Y813 HydrophobicContact CD1-CG 4.21Å; I808-Y813 HydrophobicContact CG1-CD2 3.5Å; I808-Y813 VanDerWaalsContact CG1-CD2 3.5Å; I808-Y813 HydrophobicContact CG1-CE2 4.2Å; I808-Y813 HydrophobicContact CG1-CG 4.13Å; P809-Y813 PolarHBondContact O-N 3Å; P809-Y813 VanDerWaalsContact O-N 3.08Å; A810-Y813 PolarHBondContact O-N 2.82Å; P811-Y813 VanDerWaalsContact C-N 3.33Å; P811-Y813 PolarHBondContact O-N 3.1Å; Y813-H816 PolarHBondContact O-N 3.29Å; Y813-L817 HydrophobicContact CD1-CG 4.5Å; Y813-L817 WeakPolarHBondContact O-CG 3.38Å; Y813-L817 PolarHBondContact O-N 2.85Å; Y813-L817 VanDerWaalsContact O-N 3.16Å
814	Y	98.7	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.3	-40.5	178.5	-65.1	-33.4	0	0	0	112.5	Y634 T798 Y799 V800 A810 P811 A812 H816 L817 V818 M865 F867	Y634-Y814 HydrophobicContact CD1-CD2 4.19Å; Y634-Y814 AromaticContact CD2-CD2 3.69Å; Y634-Y814 HydrophobicContact CD2-CD2 3.69Å; Y634-Y814 AromaticContact CD2-CE2 3.42Å; Y634-Y814 HydrophobicContact CD2-CE2 3.42Å; Y634-Y814 VanDerWaalsContact CD2-CE2 3.42Å; Y634-Y814 HydrophobicContact CE2-CD2 4.16Å; Y634-Y814 AromaticContact CE2-CE2 3.73Å; Y634-Y814 HydrophobicContact CE2-CE2 3.73Å; Y634-Y814 AromaticContact CG-CD2 3.74Å; Y634-Y814 HydrophobicContact CG-CD2 3.74Å; Y634-Y814 AromaticContact CG-CE2 3.98Å; Y634-Y814 HydrophobicContact CG-CE2 3.98Å; T798-Y814 PolarHBondContact O-OH 3.19Å; Y799-Y814 WeakPolarHBondContact CA-OH 3.48Å; Y799-Y814 AromaticContact CD2-CD1 3.99Å; Y799-Y814 HydrophobicContact CD2-CD1 3.99Å; Y799-Y814 AromaticContact CD2-CE1 3.34Å; Y799-Y814 HydrophobicContact CD2-CE1 3.34Å; Y799-Y814 AromaticContact CD2-CZ 3.9Å; Y799-Y814 AromaticContact CE2-CD1 3.87Å; Y799-Y814 HydrophobicContact CE2-CD1 3.87Å; Y799-Y814 AromaticContact CE2-CE1 3.54Å; Y799-Y814 HydrophobicContact CE2-CE1 3.54Å; Y799-Y814 HydrophobicContact CG-CE1 4.46Å; V800-Y814 WeakPolarHBondContact CG1-OH 3.3Å; V800-Y814 HydrophobicContact CG2-CE1 4.13Å; V800-Y814 WeakPolarHBondContact CG2-OH 3.41Å; V800-Y814 PolarHBondContact N-OH 2.9Å; A810-Y814 HydrophobicContact CB-CD2 4.31Å; A810-Y814 HydrophobicContact CB-CE2 3.7Å; A810-Y814 WeakPolarHBondContact O-CB 3.46Å; A810-Y814 WeakPolarHBondContact O-CD2 3.42Å; A810-Y814 PolarHBondContact O-N 3.26Å; P811-Y814 PolarHBondContact O-N 3.12Å; A812-Y814 PolarHBondContact O-N 2.9Å; Y814-H816 VanDerWaalsContact C-N 3.3Å; Y814-H816 PolarHBondContact O-N 2.98Å; Y814-L817 HydrophobicContact CD1-CD1 4.31Å; Y814-L817 WeakPolarHBondContact O-CB 3.46Å; Y814-L817 PolarHBondContact O-N 2.95Å; Y814-V818 WeakPolarHBondContact O-CG2 3.41Å; Y814-V818 PolarHBondContact O-N 3.43Å; Y814-M865 HydrophobicContact CD2-CE 4.32Å; Y814-M865 HydrophobicContact CE1-CE 4.13Å; Y814-M865 HydrophobicContact CE2-CE 3.87Å; Y814-F867 HydrophobicContact CD1-CD2 4.31Å; Y814-F867 AromaticContact CD1-CE2 3.77Å; Y814-F867 HydrophobicContact CD1-CE2 3.77Å; Y814-F867 HydrophobicContact CD2-CE2 4.43Å; Y814-F867 AromaticContact CG-CE2 3.71Å; Y814-F867 HydrophobicContact CG-CE2 3.71Å; Y814-F867 HydrophobicContact CG-CZ 4.5Å
815	A	98.2	Very high	96.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.4	-44.7	174.9	0	0	0	0	0	112	S605 D606 A622 V624 P811 A812 L817 V818 A819	S605-A815 VanDerWaalsContact CA-CB 3.49Å; D606-A815 HydrophobicContact CB-CB 3.97Å; A622-A815 HydrophobicContact CB-CB 4.49Å; A622-A815 VanDerWaalsContact CB-O 3.28Å; A622-A815 WeakPolarHBondContact CB-O 3.37Å; V624-A815 HydrophobicContact CG2-CB 4.46Å; P811-A815 PolarHBondContact O-N 2.92Å; A812-A815 PolarHBondContact O-N 3.08Å; A815-L817 VanDerWaalsContact C-N 3.34Å; A815-L817 PolarHBondContact O-N 3.13Å; A815-V818 WeakPolarHBondContact O-CB 3.24Å; A815-V818 PolarHBondContact O-N 3.03Å; A815-V818 VanDerWaalsContact O-N 3.17Å; A815-A819 PolarHBondContact O-N 2.85Å
816	H	95.9	Very high	96.4	Very high	38 Å²	38	20 Å²	20	18%	0.176	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-36.3	175.1	179.4	-105.5	0	0	0	112.9	D606 A812 Y813 Y814 F820	D606-H816 HydrophobicContact CB-CB 4.38Å; D606-H816 IonicContact OD2-CD2 3.73Å; A812-H816 PolarHBondContact O-N 2.96Å; Y813-H816 PolarHBondContact O-N 3.29Å; Y814-H816 VanDerWaalsContact C-N 3.3Å; Y814-H816 PolarHBondContact O-N 2.98Å; H816-F820 AromaticContact CE1-CD2 3.62Å; H816-F820 AromaticContact CE1-CE2 2.95Å; H816-F820 WeakPolarHBondContact CE1-CE2 3.47Å; H816-F820 AromaticContact CE1-CZ 3.57Å; H816-F820 AromaticContact ND1-CD2 3.8Å; H816-F820 AromaticContact ND1-CE2 3.61Å; H816-F820 AromaticContact NE2-CE2 3.28Å; H816-F820 VanDerWaalsContact NE2-CE2 3.28Å; H816-F820 WeakPolarHBondContact NE2-CE2 3.4Å; H816-F820 AromaticContact NE2-CZ 3.39Å; H816-F820 WeakPolarHBondContact NE2-CZ 3.33Å; H816-F820 PolarHBondContact O-N 2.9Å
817	L	97.6	Very high	95.5	Very high	22 Å²	22	21.8 Å²	21.8	12%	0.115	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-38.5	173.3	-66.6	-178.1	0	0	0	112.5	Y799 Y813 Y814 A815 R821 F867	Y799-L817 HydrophobicContact CE2-CD1 4.21Å; Y813-L817 HydrophobicContact CD1-CG 4.5Å; Y813-L817 WeakPolarHBondContact O-CG 3.38Å; Y813-L817 PolarHBondContact O-N 2.85Å; Y813-L817 VanDerWaalsContact O-N 3.16Å; Y814-L817 HydrophobicContact CD1-CD1 4.31Å; Y814-L817 WeakPolarHBondContact O-CB 3.46Å; Y814-L817 PolarHBondContact O-N 2.95Å; A815-L817 VanDerWaalsContact C-N 3.34Å; A815-L817 PolarHBondContact O-N 3.13Å; L817-R821 WeakPolarHBondContact O-CB 3.37Å; L817-R821 PolarHBondContact O-N 3.18Å; L817-F867 HydrophobicContact CB-CB 4.27Å; L817-F867 HydrophobicContact CB-CD2 4.35Å
818	V	98.4	Very high	93.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-48.3	176.2	171.9	0	0	0	0	110.4	A622 V624 A636 V638 Y814 A815 F820 R821 A822 F867	A622-V818 HydrophobicContact CB-CB 3.85Å; A622-V818 HydrophobicContact CB-CG1 3.65Å; V624-V818 HydrophobicContact CG1-CG2 3.9Å; A636-V818 HydrophobicContact CB-CB 4.49Å; A636-V818 HydrophobicContact CB-CG1 4.11Å; A636-V818 HydrophobicContact CB-CG2 3.53Å; V638-V818 HydrophobicContact CB-CG1 3.83Å; V638-V818 HydrophobicContact CG2-CG1 4.12Å; Y814-V818 WeakPolarHBondContact O-CG2 3.41Å; Y814-V818 PolarHBondContact O-N 3.43Å; A815-V818 WeakPolarHBondContact O-CB 3.24Å; A815-V818 PolarHBondContact O-N 3.03Å; A815-V818 VanDerWaalsContact O-N 3.17Å; V818-F820 VanDerWaalsContact C-N 3.33Å; V818-F820 PolarHBondContact O-N 3.42Å; V818-R821 WeakPolarHBondContact O-CB 3.49Å; V818-R821 PolarHBondContact O-N 2.81Å; V818-R821 VanDerWaalsContact O-N 3.09Å; V818-A822 PolarHBondContact O-N 3.27Å; V818-F867 HydrophobicContact CG2-CB 3.8Å; V818-F867 HydrophobicContact CG2-CD1 3.44Å; V818-F867 VanDerWaalsContact CG2-CD1 3.44Å; V818-F867 HydrophobicContact CG2-CD2 4.15Å; V818-F867 HydrophobicContact CG2-CE1 4Å; V818-F867 HydrophobicContact CG2-CG 3.52Å
819	A	96.3	Very high	91.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-42	178.2	0	0	0	0	0	112	I620 A622 A815 A822 R823	I620-A819 HydrophobicContact CG2-CB 4.08Å; A622-A819 HydrophobicContact CB-CB 3.97Å; A815-A819 PolarHBondContact O-N 2.85Å; A819-A822 PolarHBondContact O-N 3.28Å; A819-R823 PolarHBondContact O-N 3.32Å; A819-R823 VanDerWaalsContact O-N 3.08Å
820	F	94.2	Very high	88.8	Confident	92 Å²	92	33.1 Å²	33.1	40%	0.404	15%	0.15	S	C	.	.	H	α-helix	trans	-66.1	-36.3	173.2	-81.9	-29.5	0	0	0	113.8	T608 H816 V818 R823 Y824	T608-F820 HydrophobicContact CG2-CD1 4.33Å; T608-F820 HydrophobicContact CG2-CE1 4.21Å; H816-F820 AromaticContact CE1-CD2 3.62Å; H816-F820 AromaticContact CE1-CE2 2.95Å; H816-F820 WeakPolarHBondContact CE1-CE2 3.47Å; H816-F820 AromaticContact CE1-CZ 3.57Å; H816-F820 AromaticContact ND1-CD2 3.8Å; H816-F820 AromaticContact ND1-CE2 3.61Å; H816-F820 AromaticContact NE2-CE2 3.28Å; H816-F820 VanDerWaalsContact NE2-CE2 3.28Å; H816-F820 WeakPolarHBondContact NE2-CE2 3.4Å; H816-F820 AromaticContact NE2-CZ 3.39Å; H816-F820 WeakPolarHBondContact NE2-CZ 3.33Å; H816-F820 PolarHBondContact O-N 2.9Å; V818-F820 VanDerWaalsContact C-N 3.33Å; V818-F820 PolarHBondContact O-N 3.42Å; F820-R823 WeakPolarHBondContact O-CB 3.46Å; F820-R823 PolarHBondContact O-N 2.92Å; F820-Y824 WeakPolarHBondContact O-CD2 3.12Å; F820-Y824 PolarHBondContact O-N 3.2Å
821	R	96.1	Very high	85.8	Confident	14 Å²	14	41.1 Å²	41.1	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-45.4	175.9	-177	60.7	63.5	71.3	16.1	111.2	D546 L817 V818 R823 Y824 H825 Y866 F867	D546-R821 IonicContact OD1-NH1 2.72Å; D546-R821 WeakPolarHBondContact OD2-CD 3.25Å; D546-R821 IonicContact OD2-CZ 2.59Å; D546-R821 IonicContact OD2-NE 3.62Å; D546-R821 IonicContact OD2-NH1 3.87Å; D546-R821 PolarHBondContact OD2-NH1 2.85Å; L817-R821 WeakPolarHBondContact O-CB 3.37Å; L817-R821 PolarHBondContact O-N 3.18Å; V818-R821 WeakPolarHBondContact O-CB 3.49Å; V818-R821 PolarHBondContact O-N 2.81Å; V818-R821 VanDerWaalsContact O-N 3.09Å; R821-R823 PolarHBondContact O-N 3.07Å; R821-Y824 WeakPolarHBondContact O-CA 3.45Å; R821-Y824 WeakPolarHBondContact O-CB 3.4Å; R821-Y824 PolarHBondContact O-N 2.68Å; R821-H825 PolarHBondContact O-N 3.1Å; R821-H825 VanDerWaalsContact O-N 3.11Å; R821-Y866 HydrophobicContact CB-CE2 4.39Å; R821-Y866 HydrophobicContact CG-CD2 4.11Å; R821-Y866 HydrophobicContact CG-CE2 3.64Å; R821-Y866 PolarHBondContact NH1-O 3.39Å; R821-Y866 PolarHBondContact NH2-O 2.93Å; R821-F867 PolarHBondContact NH2-O 3.41Å
822	A	95.7	Very high	82.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-34.7	174.8	0	0	0	0	0	112.3	I620 V638 V818 A819 Y824 H825 L826 V855	I620-A822 HydrophobicContact CD1-CB 4.06Å; I620-A822 HydrophobicContact CG2-CB 3.94Å; V638-A822 HydrophobicContact CG2-CB 3.63Å; V818-A822 PolarHBondContact O-N 3.27Å; A819-A822 PolarHBondContact O-N 3.28Å; A822-Y824 VanDerWaalsContact C-N 3.28Å; A822-Y824 PolarHBondContact O-N 3.05Å; A822-H825 WeakPolarHBondContact O-CB 3.19Å; A822-H825 PolarHBondContact O-N 3.5Å; A822-H825 VanDerWaalsContact O-N 3.14Å; A822-L826 WeakPolarHBondContact O-CG 3.35Å; A822-L826 PolarHBondContact O-N 3.26Å; A822-V855 HydrophobicContact CB-CB 4.14Å; A822-V855 HydrophobicContact CB-CG1 3.81Å
823	R	92.6	Very high	79.3	Confident	44 Å²	44	54 Å²	54	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-34.9	172.6	-171.2	65.8	69.9	-167.5	-0.7	112.6	T608 P618 I620 A819 F820 R821 L826	T608-R823 PolarHBondContact O-NH2 2.91Å; P618-R823 PolarHBondContact O-NH1 3.33Å; P618-R823 PolarHBondContact O-NH2 3.04Å; I620-R823 HydrophobicContact CD1-CB 3.93Å; A819-R823 PolarHBondContact O-N 3.32Å; A819-R823 VanDerWaalsContact O-N 3.08Å; F820-R823 WeakPolarHBondContact O-CB 3.46Å; F820-R823 PolarHBondContact O-N 2.92Å; R821-R823 PolarHBondContact O-N 3.07Å; R823-L826 PolarHBondContact O-N 2.91Å
824	Y	92	Very high	76	Confident	110 Å²	110	56 Å²	56	43%	0.431	29%	0.293	S	S	.	.	H	α-helix	trans	-69.6	-36.4	172.9	-82.5	-74.2	0	0	0	112.5	Y538 A539 F820 R821 A822 L826 V827	Y538-Y824 AromaticContact CD1-CD1 3.8Å; Y538-Y824 HydrophobicContact CD1-CD1 3.8Å; Y538-Y824 AromaticContact CD1-CE1 3.66Å; Y538-Y824 HydrophobicContact CD1-CE1 3.66Å; Y538-Y824 HydrophobicContact CD1-CE2 4.49Å; Y538-Y824 HydrophobicContact CD1-CG 4.28Å; Y538-Y824 AromaticContact CE1-CD1 3.92Å; Y538-Y824 HydrophobicContact CE1-CD1 3.92Å; Y538-Y824 AromaticContact CE1-CD2 3.91Å; Y538-Y824 HydrophobicContact CE1-CD2 3.91Å; Y538-Y824 AromaticContact CE1-CE1 3.85Å; Y538-Y824 HydrophobicContact CE1-CE1 3.85Å; Y538-Y824 AromaticContact CE1-CE2 3.84Å; Y538-Y824 HydrophobicContact CE1-CE2 3.84Å; Y538-Y824 AromaticContact CE1-CG 3.95Å; Y538-Y824 HydrophobicContact CE1-CG 3.95Å; Y538-Y824 AromaticContact CE1-CZ 3.8Å; A539-Y824 HydrophobicContact CB-CD1 4.09Å; F820-Y824 WeakPolarHBondContact O-CD2 3.12Å; F820-Y824 PolarHBondContact O-N 3.2Å; R821-Y824 WeakPolarHBondContact O-CA 3.45Å; R821-Y824 WeakPolarHBondContact O-CB 3.4Å; R821-Y824 PolarHBondContact O-N 2.68Å; A822-Y824 VanDerWaalsContact C-N 3.28Å; A822-Y824 PolarHBondContact O-N 3.05Å; Y824-L826 PolarHBondContact O-N 2.93Å; Y824-V827 WeakPolarHBondContact O-CB 3.22Å; Y824-V827 WeakPolarHBondContact O-CG2 3.31Å; Y824-V827 PolarHBondContact O-N 3.21Å
825	H	93.6	Very high	72.7	Confident	5 Å²	5	65.4 Å²	65.4	2%	0.023	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-19.2	175.8	-57.3	155.2	0	0	0	113.5	K542 D546 R821 A822 A854	K542-H825 PolarHBondContact O-NE2 2.77Å; D546-H825 IonicContact OD2-CE1 3.8Å; D546-H825 IonicContact OD2-NE2 3.59Å; D546-H825 PolarHBondContact OD2-NE2 2.9Å; D546-H825 VanDerWaalsContact OD2-NE2 3.13Å; R821-H825 PolarHBondContact O-N 3.1Å; R821-H825 VanDerWaalsContact O-N 3.11Å; A822-H825 WeakPolarHBondContact O-CB 3.19Å; A822-H825 PolarHBondContact O-N 3.5Å; A822-H825 VanDerWaalsContact O-N 3.14Å; H825-A854 WeakPolarHBondContact CB-O 3.31Å
826	L	88.7	Confident	69.3	Low	10 Å²	10	69 Å²	69	5%	0.052	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.4	177.6	-67.3	176.2	0	0	0	114.6	P618 I620 V640 A822 R823 Y824 D828 L851 A854 V855	P618-L826 HydrophobicContact CG-CD1 4.27Å; I620-L826 HydrophobicContact CD1-CD1 3.86Å; I620-L826 HydrophobicContact CG1-CD1 4.43Å; V640-L826 HydrophobicContact CG1-CD1 4.34Å; A822-L826 WeakPolarHBondContact O-CG 3.35Å; A822-L826 PolarHBondContact O-N 3.26Å; R823-L826 PolarHBondContact O-N 2.91Å; Y824-L826 PolarHBondContact O-N 2.93Å; L826-D828 PolarHBondContact O-N 3.29Å; L826-L851 HydrophobicContact CD2-CD2 3.89Å; L826-A854 HydrophobicContact CD2-CB 3.84Å; L826-V855 HydrophobicContact CD1-CG1 4.31Å; L826-V855 HydrophobicContact CD2-CG1 3.92Å; L826-V855 HydrophobicContact CG-CG1 3.96Å
827	V	79.6	Confident	66.4	Low	51 Å²	51	72.6 Å²	72.6	31%	0.309	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-68	-33.6	-170.6	173.7	0	0	0	0	113.2	A539 Y824 K829 E830	A539-V827 HydrophobicContact CB-CB 4.1Å; A539-V827 HydrophobicContact CB-CG1 4.27Å; A539-V827 HydrophobicContact CB-CG2 4.33Å; Y824-V827 WeakPolarHBondContact O-CB 3.22Å; Y824-V827 WeakPolarHBondContact O-CG2 3.31Å; Y824-V827 PolarHBondContact O-N 3.21Å; V827-K829 VanDerWaalsContact C-N 3.32Å; V827-K829 PolarHBondContact O-N 3.31Å; V827-E830 PolarHBondContact O-N 3.02Å
828	D	58.5	Low	62.9	Low	71 Å²	71	80.4 Å²	80.4	38%	0.38	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-81.9	-0.6	-171.8	-60.6	-42.8	0	0	0	115.3	R543 L826	R543-D828 WeakPolarHBondContact CD-OD2 3.48Å; R543-D828 IonicContact NE-OD2 3.14Å; L826-D828 PolarHBondContact O-N 3.29Å
829	K	51.5	Low	59.9	Low	103 Å²	103	87 Å²	87	45%	0.448	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-101.5	14.2	171.1	-68	-171.2	179.4	-178.8	0	113.4	V827 R846 A850	V827-K829 VanDerWaalsContact C-N 3.32Å; V827-K829 PolarHBondContact O-N 3.31Å; K829-R846 VanDerWaalsContact O-CZ 3.25Å; K829-R846 PolarHBondContact O-NH1 3.4Å; K829-R846 VanDerWaalsContact O-NH1 3.15Å; K829-R846 PolarHBondContact O-NH2 3.23Å; K829-A850 PolarHBondContact NZ-O 3.03Å
830	E	43	Very low	56.7	Low	77 Å²	77	92.7 Å²	92.7	36%	0.36	52%	0.52	S	S	.	.	S	Bend	trans	-111.1	-10.2	-178.3	-70.2	-173.9	176.9	0	0	114.6	K617 V827	K617-E830 WeakPolarHBondContact CD-OE1 3.08Å; K617-E830 WeakPolarHBondContact CE-OE1 3.42Å; K617-E830 IonicContact NZ-OE1 2.75Å; K617-E830 PolarHBondContact NZ-OE1 3.06Å; K617-E830 IonicContact NZ-OE2 3.47Å; K617-E830 PolarHBondContact NZ-OE2 2.86Å; V827-E830 PolarHBondContact O-N 3.02Å
831	H	35.9	Very low	53.5	Low	168 Å²	168	91.7 Å²	91.7	78%	0.778	54%	0.535	S	S	*	.	S	Bend	trans	-97.1	-13.8	-174.7	-108.2	-58.5	0	0	0	116.3	S833	H831-S833 PolarHBondContact O-N 3.43Å
832	D	29.2	Very low	50.5	Low	155 Å²	155	100.5 Å²	100.5	83%	0.829	58%	0.577	S	S	*	*			trans	-94.1	84.1	174.4	-75.3	-21.9	0	0	0	111.6
833	S	31.2	Very low	47.4	Very low	114 Å²	114	106 Å²	106	80%	0.797	62%	0.616	S	S	*	*			trans	-174.9	63.4	158	-70.2	0	0	0	0	109.7	H831	H831-S833 PolarHBondContact O-N 3.43Å
834	A	29.6	Very low	44.8	Very low	101 Å²	101	111.6 Å²	111.6	84%	0.835	65%	0.649	S	S	*	*	S	Bend	trans	-141	7.8	167.9	0	0	0	0	0	114.1
835	E	29	Very low	42.5	Very low	199 Å²	199	109.6 Å²	109.6	93%	0.93	66%	0.662	S	S	*	*	S	Bend	trans	-127.9	132	168.9	-71.1	-172.9	167.4	0	0	108.8
836	G	27.2	Very low	40.8	Very low	76 Å²	76	116.2 Å²	116.2	78%	0.784	69%	0.687	S	S	*	*			trans	107.1	86.8	173.8	0	0	0	0	0	114.9	H838	G836-H838 PolarHBondContact O-N 3.45Å
837	S	33.6	Very low	40.1	Very low	112 Å²	112	120.5 Å²	120.5	78%	0.783	71%	0.71	S	S	*	*			trans	-68.7	107.3	158.2	51	0	0	0	0	110.1
838	H	25.4	Very low	40.3	Very low	186 Å²	186	123.3 Å²	123.3	86%	0.861	72%	0.719	S	S	*	*			trans	-143.8	127.4	151.1	-79.1	-68.3	0	0	0	110.2	G836	G836-H838 PolarHBondContact O-N 3.45Å
839	T	34.5	Very low	41.6	Very low	138 Å²	138	126.9 Å²	126.9	85%	0.847	73%	0.734	S	S	*	*			trans	-68.4	116.9	171.7	40.7	0	0	0	0	110.5
840	S	28.6	Very low	43.2	Very low	121 Å²	121	123.6 Å²	123.6	85%	0.846	73%	0.726	S	S	*	*			trans	174.1	141.2	141.2	44.2	0	0	0	0	111.3
841	G	26.9	Very low	45.4	Very low	71 Å²	71	121 Å²	121	73%	0.732	71%	0.714	S	S	*	*			trans	94.7	116.9	162.2	0	0	0	0	0	116.4	S843	G841-S843 PolarHBondContact O-N 3.2Å; G841-S843 VanDerWaalsContact O-N 3.1Å
842	Q	34.5	Very low	48	Very low	198 Å²	198	114.8 Å²	114.8	93%	0.925	69%	0.692	S	S	*	*			trans	-48.6	110.9	165.9	-69.1	164.6	-23.4	0	0	111.1
843	S	30.4	Very low	50.9	Low	117 Å²	117	115.6 Å²	115.6	82%	0.818	69%	0.688	S	S	*	*			trans	-103.4	74.5	166.3	49.9	0	0	0	0	110.4	G841 G845	G841-S843 PolarHBondContact O-N 3.2Å; G841-S843 VanDerWaalsContact O-N 3.1Å; S843-G845 PolarHBondContact O-N 2.59Å
844	N	37.8	Very low	53.7	Low	160 Å²	160	111 Å²	111	86%	0.856	66%	0.657	S	S	*	*			trans	-70.6	117	158.5	-92.7	-16.6	0	0	0	108.6
845	G	44.6	Very low	56.7	Low	69 Å²	69	106.3 Å²	106.3	71%	0.711	62%	0.618	S	S	*	*			trans	82.2	118.2	164.7	0	0	0	0	0	115.4	S843 D847	S843-G845 PolarHBondContact O-N 2.59Å; G845-D847 PolarHBondContact O-N 3.25Å
846	R	57.4	Low	59.8	Low	143 Å²	143	101.3 Å²	101.3	54%	0.54	59%	0.594	S	S	.	*			trans	-63.8	131.9	154	-69.9	178.2	-174.5	172.5	-2.3	107.1	K829 H848	K829-R846 VanDerWaalsContact O-CZ 3.25Å; K829-R846 PolarHBondContact O-NH1 3.4Å; K829-R846 VanDerWaalsContact O-NH1 3.15Å; K829-R846 PolarHBondContact O-NH2 3.23Å; R846-H848 PolarHBondContact O-N 3.24Å
847	D	74.4	Confident	63	Low	100 Å²	100	98.2 Å²	98.2	54%	0.535	56%	0.56	S	S	.	*			trans	-54.8	124	-175	-162.2	-5.7	0	0	0	111.2	G845 Q849 A850 L851	G845-D847 PolarHBondContact O-N 3.25Å; D847-Q849 PolarHBondContact O-N 3.36Å; D847-A850 HydrophobicContact CB-CB 4.26Å; D847-A850 WeakPolarHBondContact O-CB 3.4Å; D847-A850 PolarHBondContact O-N 3.37Å; D847-L851 PolarHBondContact O-N 3.03Å
848	H	81.9	Confident	66	Low	111 Å²	111	95.2 Å²	95.2	51%	0.514	53%	0.533	S	S	.	.	H	α-helix	trans	-56	-35.7	-176.8	178.2	81.8	0	0	0	110.9	V640 R846 A850 L851 A852	V640-H848 PolarHBondContact O-CE1 2.81Å; R846-H848 PolarHBondContact O-N 3.24Å; H848-A850 VanDerWaalsContact C-N 3.31Å; H848-A850 PolarHBondContact O-N 2.71Å; H848-L851 PolarHBondContact O-N 3.31Å; H848-A852 WeakPolarHBondContact O-CB 3.46Å; H848-A852 PolarHBondContact O-N 3.36Å
849	Q	85.8	Confident	69.2	Low	146 Å²	146	92.5 Å²	92.5	68%	0.682	52%	0.521	S	S	*	.	H	α-helix	trans	-60.5	-39.7	176.3	-63.4	-173.9	-1.1	0	0	112.4	D847 L851 A852 K853	D847-Q849 PolarHBondContact O-N 3.36Å; Q849-L851 VanDerWaalsContact C-N 3.32Å; Q849-L851 PolarHBondContact O-N 3.48Å; Q849-A852 PolarHBondContact O-N 3.4Å; Q849-K853 WeakPolarHBondContact O-CB 3.42Å; Q849-K853 PolarHBondContact O-N 2.87Å
850	A	86.7	Confident	72	Confident	34 Å²	34	90.5 Å²	90.5	28%	0.281	51%	0.505	S	S	.	.	H	α-helix	trans	-69.5	-31.6	-179.3	0	0	0	0	0	112.4	K829 D847 H848 A854	K829-A850 PolarHBondContact NZ-O 3.03Å; D847-A850 HydrophobicContact CB-CB 4.26Å; D847-A850 WeakPolarHBondContact O-CB 3.4Å; D847-A850 PolarHBondContact O-N 3.37Å; H848-A850 VanDerWaalsContact C-N 3.31Å; H848-A850 PolarHBondContact O-N 2.71Å; A850-A854 PolarHBondContact O-N 3.43Å
851	L	88.6	Confident	75.2	Confident	23 Å²	23	85 Å²	85	12%	0.12	47%	0.467	C	S	.	.	H	α-helix	trans	-76.8	-40.4	173.9	-66.8	171.2	0	0	0	111.3	P618 V640 L826 D847 H848 Q849 A854 V855	P618-L851 HydrophobicContact CG-CD1 4.15Å; V640-L851 HydrophobicContact CG1-CB 4.39Å; V640-L851 HydrophobicContact CG2-CB 4.01Å; L826-L851 HydrophobicContact CD2-CD2 3.89Å; D847-L851 PolarHBondContact O-N 3.03Å; H848-L851 PolarHBondContact O-N 3.31Å; Q849-L851 VanDerWaalsContact C-N 3.32Å; Q849-L851 PolarHBondContact O-N 3.48Å; L851-A854 PolarHBondContact O-N 3.37Å; L851-V855 PolarHBondContact O-N 2.82Å
852	A	90.6	Very high	78.3	Confident	36 Å²	36	83.6 Å²	83.6	30%	0.298	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175.5	0	0	0	0	0	111.7	V640 H848 Q849 A854 V855 Q856	V640-A852 HydrophobicContact CG2-CB 4.08Å; H848-A852 WeakPolarHBondContact O-CB 3.46Å; H848-A852 PolarHBondContact O-N 3.36Å; Q849-A852 PolarHBondContact O-N 3.4Å; A852-A854 VanDerWaalsContact C-N 3.25Å; A852-A854 PolarHBondContact O-N 2.84Å; A852-V855 VanDerWaalsContact O-CG2 3.26Å; A852-V855 WeakPolarHBondContact O-CG2 3.43Å; A852-V855 PolarHBondContact O-N 3.5Å; A852-Q856 PolarHBondContact O-N 3.26Å
853	K	89.8	Confident	81.1	Confident	172 Å²	172	80.3 Å²	80.3	75%	0.748	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-33.3	176.2	-171	175.5	-177	177.5	0	112.8	Q849 V855 Q856	Q849-K853 WeakPolarHBondContact O-CB 3.42Å; Q849-K853 PolarHBondContact O-N 2.87Å; K853-V855 VanDerWaalsContact C-N 3.33Å; K853-V855 PolarHBondContact O-N 3.43Å; K853-Q856 PolarHBondContact O-N 2.79Å
854	A	90.1	Very high	84.3	Confident	18 Å²	18	76.6 Å²	76.6	15%	0.149	39%	0.394	C	S	.	.	H	α-helix	trans	-70.7	-28.4	-178.4	0	0	0	0	0	113.3	H825 L826 A850 L851 A852	H825-A854 WeakPolarHBondContact CB-O 3.31Å; L826-A854 HydrophobicContact CD2-CB 3.84Å; A850-A854 PolarHBondContact O-N 3.43Å; L851-A854 PolarHBondContact O-N 3.37Å; A852-A854 VanDerWaalsContact C-N 3.25Å; A852-A854 PolarHBondContact O-N 2.84Å
855	V	93.5	Very high	87.1	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-94.5	-7.2	177.8	-58.9	0	0	0	0	113.1	V638 V640 A822 L826 L851 A852 K853 I857	V638-V855 HydrophobicContact CG1-CB 4.3Å; V638-V855 WeakPolarHBondContact CG1-O 3.27Å; V640-V855 HydrophobicContact CG1-CG1 3.99Å; V640-V855 HydrophobicContact CG1-CG2 4.11Å; A822-V855 HydrophobicContact CB-CB 4.14Å; A822-V855 HydrophobicContact CB-CG1 3.81Å; L826-V855 HydrophobicContact CD1-CG1 4.31Å; L826-V855 HydrophobicContact CD2-CG1 3.92Å; L826-V855 HydrophobicContact CG-CG1 3.96Å; L851-V855 PolarHBondContact O-N 2.82Å; A852-V855 VanDerWaalsContact O-CG2 3.26Å; A852-V855 WeakPolarHBondContact O-CG2 3.43Å; A852-V855 PolarHBondContact O-N 3.5Å; K853-V855 VanDerWaalsContact C-N 3.33Å; K853-V855 PolarHBondContact O-N 3.43Å; V855-I857 PolarHBondContact O-N 3.11Å
856	Q	92.8	Very high	89.7	Confident	93 Å²	93	66.4 Å²	66.4	44%	0.435	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.2	121.7	175.4	-173.8	62	34.3	0	0	109.8	T547 A852 K853	T547-Q856 WeakPolarHBondContact CB-O 3.36Å; A852-Q856 PolarHBondContact O-N 3.26Å; K853-Q856 PolarHBondContact O-N 2.79Å
857	I	94.4	Very high	91.6	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.062	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83.8	154.2	178.7	60.8	-177.2	0	0	0	111.6	T547 V855 T861 L862 Y866	T547-I857 HydrophobicContact CG2-CG2 4.48Å; V855-I857 PolarHBondContact O-N 3.11Å; I857-T861 HydrophobicContact CB-CG2 4.23Å; I857-T861 HydrophobicContact CD1-CG2 4.35Å; I857-L862 HydrophobicContact CD1-CD2 3.85Å; I857-L862 HydrophobicContact CD1-CG 4.41Å; I857-L862 HydrophobicContact CG1-CD2 3.48Å; I857-L862 VanDerWaalsContact CG1-CD2 3.48Å; I857-L862 HydrophobicContact CG1-CG 4.06Å; I857-Y866 HydrophobicContact CD1-CD1 4.24Å; I857-Y866 HydrophobicContact CD1-CE1 3.6Å; I857-Y866 HydrophobicContact CG2-CE1 4.26Å; I857-Y866 HydrophobicContact CG2-CE2 3.97Å
858	H	97.1	Very high	92.5	Very high	48 Å²	48	55 Å²	55	22%	0.222	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-62	152.3	178.5	-172.4	-90.5	0	0	0	111.1	D546 V548 D860 T861 L862	D546-H858 PolarHBondContact O-N 2.94Å; V548-H858 PolarHBondContact O-CD2 3.06Å; V548-H858 VanDerWaalsContact O-CD2 3.26Å; H858-D860 VanDerWaalsContact C-N 3.3Å; H858-D860 IonicContact CE1-OD2 3.48Å; H858-D860 PolarHBondContact CE1-OD2 2.89Å; H858-D860 PolarHBondContact ND1-N 3.3Å; H858-D860 VanDerWaalsContact ND1-N 3.19Å; H858-D860 IonicContact ND1-OD2 3.59Å; H858-D860 PolarHBondContact O-N 2.76Å; H858-T861 WeakPolarHBondContact O-CA 3.48Å; H858-T861 VanDerWaalsContact O-CB 3.31Å; H858-T861 WeakPolarHBondContact O-CB 3.46Å; H858-T861 PolarHBondContact O-N 3.23Å; H858-L862 PolarHBondContact O-N 2.9Å; H858-L862 VanDerWaalsContact O-N 3.12Å
859	Q	93.6	Very high	93	Very high	130 Å²	130	52.2 Å²	52.2	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-44.2	-177.1	-169.4	69	6.6	0	0	112.7	T861 L862	Q859-T861 PolarHBondContact O-N 3.47Å; Q859-L862 WeakPolarHBondContact O-CB 3.42Å; Q859-L862 PolarHBondContact O-N 3.46Å
860	D	93.2	Very high	93.4	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.9	177.2	-58.7	-26	0	0	0	113	H858 T864	H858-D860 VanDerWaalsContact C-N 3.3Å; H858-D860 IonicContact CE1-OD2 3.48Å; H858-D860 PolarHBondContact CE1-OD2 2.89Å; H858-D860 PolarHBondContact ND1-N 3.3Å; H858-D860 VanDerWaalsContact ND1-N 3.19Å; H858-D860 IonicContact ND1-OD2 3.59Å; H858-D860 PolarHBondContact O-N 2.76Å; D860-T864 WeakPolarHBondContact O-CG2 3.35Å
861	T	95.5	Very high	93.7	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.037	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-27.1	178.7	-48.8	0	0	0	0	112.2	D546 G550 I857 H858 Q859 R863 T864 Y866	D546-T861 HydrophobicContact CB-CG2 4.38Å; D546-T861 WeakPolarHBondContact O-CB 3.21Å; D546-T861 PolarHBondContact O-OG1 3.3Å; G550-T861 WeakPolarHBondContact CA-OG1 3.49Å; I857-T861 HydrophobicContact CB-CG2 4.23Å; I857-T861 HydrophobicContact CD1-CG2 4.35Å; H858-T861 WeakPolarHBondContact O-CA 3.48Å; H858-T861 VanDerWaalsContact O-CB 3.31Å; H858-T861 WeakPolarHBondContact O-CB 3.46Å; H858-T861 PolarHBondContact O-N 3.23Å; Q859-T861 PolarHBondContact O-N 3.47Å; T861-R863 PolarHBondContact O-N 2.96Å; T861-T864 WeakPolarHBondContact O-CB 3.46Å; T861-T864 PolarHBondContact O-N 3.39Å; T861-T864 PolarHBondContact O-OG1 3.07Å; T861-Y866 HydrophobicContact CG2-CD1 3.72Å; T861-Y866 HydrophobicContact CG2-CD2 4.24Å; T861-Y866 HydrophobicContact CG2-CE1 4.49Å; T861-Y866 HydrophobicContact CG2-CG 3.6Å
862	L	92.7	Very high	94	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.215	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.7	-173.7	-74.6	169.3	0	0	0	113.7	I857 H858 Q859	I857-L862 HydrophobicContact CD1-CD2 3.85Å; I857-L862 HydrophobicContact CD1-CG 4.41Å; I857-L862 HydrophobicContact CG1-CD2 3.48Å; I857-L862 VanDerWaalsContact CG1-CD2 3.48Å; I857-L862 HydrophobicContact CG1-CG 4.06Å; H858-L862 PolarHBondContact O-N 2.9Å; H858-L862 VanDerWaalsContact O-N 3.12Å; Q859-L862 WeakPolarHBondContact O-CB 3.42Å; Q859-L862 PolarHBondContact O-N 3.46Å
863	R	93.2	Very high	94.3	Very high	129 Å²	129	50.3 Å²	50.3	49%	0.487	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.8	-175.5	-58	-178.2	-174	155.6	10.8	113.9	R633 T861	R633-R863 PolarHBondContact NH2-O 2.94Å; T861-R863 PolarHBondContact O-N 2.96Å
864	T	96	Very high	94.6	Very high	39 Å²	39	42.1 Å²	42.1	24%	0.239	20%	0.204	C	C	.	.	S	Bend	trans	-111.5	159.2	-174.7	73.6	0	0	0	0	111.7	D860 T861 Y866	D860-T864 WeakPolarHBondContact O-CG2 3.35Å; T861-T864 WeakPolarHBondContact O-CB 3.46Å; T861-T864 PolarHBondContact O-N 3.39Å; T861-T864 PolarHBondContact O-OG1 3.07Å; T864-Y866 PolarHBondContact O-N 2.89Å; T864-Y866 PolarHBondContact OG1-N 3.45Å
865	M	98	Very high	94.9	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.025	21%	0.208	C	C	.	.			trans	-90.3	51.4	169.7	-70.2	-178.1	76.3	0	0	111.1	V578 Y634 V800 Y814 F867 A868	V578-M865 HydrophobicContact CG1-CB 3.53Å; V578-M865 HydrophobicContact CG1-CE 4.01Å; V578-M865 HydrophobicContact CG1-CG 4.11Å; V578-M865 HydrophobicContact CG1-SD 3.57Å; V578-M865 VanDerWaalsContact CG1-SD 3.57Å; Y634-M865 HydrophobicContact CD2-CE 4.42Å; Y634-M865 PolarHBondContact N-SD 3.14Å; Y634-M865 VanDerWaalsContact N-SD 3.42Å; Y634-M865 WeakPolarHBondContact O-CG 3.39Å; V800-M865 HydrophobicContact CG2-CE 4.18Å; Y814-M865 HydrophobicContact CD2-CE 4.32Å; Y814-M865 HydrophobicContact CE1-CE 4.13Å; Y814-M865 HydrophobicContact CE2-CE 3.87Å; M865-F867 HydrophobicContact CB-CE1 4.33Å; M865-F867 HydrophobicContact CB-CE2 4.43Å; M865-F867 HydrophobicContact CB-CZ 4.07Å; M865-F867 HydrophobicContact CE-CE2 3.94Å; M865-F867 HydrophobicContact CE-CZ 4.03Å; M865-F867 HydrophobicContact CG-CE1 4.34Å; M865-F867 HydrophobicContact CG-CE2 4.48Å; M865-F867 HydrophobicContact CG-CZ 3.86Å; M865-F867 PolarHBondContact O-N 3.02Å; M865-F867 VanDerWaalsContact O-N 3.08Å; M865-A868 HydrophobicContact CB-CB 4.43Å; M865-A868 WeakPolarHBondContact O-CB 3.5Å; M865-A868 PolarHBondContact O-N 2.99Å
866	Y	98	Very high	95	Very high	10 Å²	10	47 Å²	47	4%	0.039	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28	-178.1	72.2	-78.6	0	0	0	113.7	D546 A636 R821 I857 T861 T864 A868	D546-Y866 HydrophobicContact CB-CD2 3.93Å; D546-Y866 HydrophobicContact CB-CE2 4.38Å; D546-Y866 WeakPolarHBondContact OD2-CD2 3.49Å; A636-Y866 HydrophobicContact CB-CE1 4.28Å; R821-Y866 HydrophobicContact CB-CE2 4.39Å; R821-Y866 HydrophobicContact CG-CD2 4.11Å; R821-Y866 HydrophobicContact CG-CE2 3.64Å; R821-Y866 PolarHBondContact NH1-O 3.39Å; R821-Y866 PolarHBondContact NH2-O 2.93Å; I857-Y866 HydrophobicContact CD1-CD1 4.24Å; I857-Y866 HydrophobicContact CD1-CE1 3.6Å; I857-Y866 HydrophobicContact CG2-CE1 4.26Å; I857-Y866 HydrophobicContact CG2-CE2 3.97Å; T861-Y866 HydrophobicContact CG2-CD1 3.72Å; T861-Y866 HydrophobicContact CG2-CD2 4.24Å; T861-Y866 HydrophobicContact CG2-CE1 4.49Å; T861-Y866 HydrophobicContact CG2-CG 3.6Å; T864-Y866 PolarHBondContact O-N 2.89Å; T864-Y866 PolarHBondContact OG1-N 3.45Å; Y866-A868 PolarHBondContact O-N 2.9Å
867	F	97.5	Very high	95.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13	178	52.7	-94.6	0	0	0	113.9	A636 Y814 L817 V818 R821 M865	A636-F867 HydrophobicContact CB-CD1 3.97Å; A636-F867 HydrophobicContact CB-CE1 3.7Å; Y814-F867 HydrophobicContact CD1-CD2 4.31Å; Y814-F867 AromaticContact CD1-CE2 3.77Å; Y814-F867 HydrophobicContact CD1-CE2 3.77Å; Y814-F867 HydrophobicContact CD2-CE2 4.43Å; Y814-F867 AromaticContact CG-CE2 3.71Å; Y814-F867 HydrophobicContact CG-CE2 3.71Å; Y814-F867 HydrophobicContact CG-CZ 4.5Å; L817-F867 HydrophobicContact CB-CB 4.27Å; L817-F867 HydrophobicContact CB-CD2 4.35Å; V818-F867 HydrophobicContact CG2-CB 3.8Å; V818-F867 HydrophobicContact CG2-CD1 3.44Å; V818-F867 VanDerWaalsContact CG2-CD1 3.44Å; V818-F867 HydrophobicContact CG2-CD2 4.15Å; V818-F867 HydrophobicContact CG2-CE1 4Å; V818-F867 HydrophobicContact CG2-CG 3.52Å; R821-F867 PolarHBondContact NH2-O 3.41Å; M865-F867 HydrophobicContact CB-CE1 4.33Å; M865-F867 HydrophobicContact CB-CE2 4.43Å; M865-F867 HydrophobicContact CB-CZ 4.07Å; M865-F867 HydrophobicContact CE-CE2 3.94Å; M865-F867 HydrophobicContact CE-CZ 4.03Å; M865-F867 HydrophobicContact CG-CE1 4.34Å; M865-F867 HydrophobicContact CG-CE2 4.48Å; M865-F867 HydrophobicContact CG-CZ 3.86Å; M865-F867 PolarHBondContact O-N 3.02Å; M865-F867 VanDerWaalsContact O-N 3.08Å
868	A	92.9	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.			trans	-65.3	0	-175.8	0	0	0	0	0	116	K575 V578 K579 R801 M865 Y866	K575-A868 PolarHBondContact NZ-O 3.45Å; K575-A868 PolarHBondContact NZ-OXT 3.49Å; V578-A868 HydrophobicContact CG1-CB 3.94Å; K579-A868 WeakPolarHBondContact CE-O 3.46Å; K579-A868 HydrophobicContact CG-CB 4.46Å; K579-A868 PolarHBondContact NZ-O 3.12Å; R801-A868 WeakPolarHBondContact CD-OXT 3.12Å; R801-A868 WeakPolarHBondContact CG-OXT 3.35Å; R801-A868 PolarHBondContact NE-OXT 2.91Å; M865-A868 HydrophobicContact CB-CB 4.43Å; M865-A868 WeakPolarHBondContact O-CB 3.5Å; M865-A868 PolarHBondContact O-N 2.99Å; Y866-A868 PolarHBondContact O-N 2.9Å

Retrieved 868 of 868 residues in 431.7 ms (Link to these results)

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