A0A096MVL6_PAPAN Loading...

Leucine rich repeat containing G protein-coupled receptor 5

Receptor for R-spondins that potentiates the canonical Wnt signaling pathway and acts as a stem cell marker of the intestinal epithelium and the hair follicle. Upon binding to R-spondins (RSPO1, RSPO2, RSPO3 or RSPO4), associates with phosphorylated LRP6 and frizzled receptors that are activated by extracellular Wnt receptors, triggering the canonical Wnt signaling pathway to increase expression of target genes. In contrast to classical G-protein coupled receptors, does not activate heterotrimeric G-proteins to transduce the signal. Involved in the development and/or maintenance of the adult intestinal stem cells during postembryonic development.

AlphaFold DB , UniProt , Accession A0A096MVL6, Species PAPAN (Papio anubis, Olive baboon), Gene LGR5, Length 907 aa.

						>A0A096MVL6_PAPAN|A0A096MVL6|LGR5
MDTSRLGVLLSLPVLLQLAAGSSSPRSGALLRGCPTHCHCEPDGRMLLRVDCSDLGLSELPSNLSVFTSYLDLSMNNISQLLPNPLPSLRFLEELRLAGNALTYIPKGAFTGLYSLKVLMLQNNQLRQVPTEALQNLRSLQSLRLDANHISYVPPSCFSGLHSLRHLWLDDNALTEIPVQAFRSLSALQAMTLALNKIHHIPDYAFGNLSSLVVLHLHNNRIHSLGKKCFDGLHSLETLDLNYNNLDEFPTAIRTLSNLKELGFHSNNIRSIPEKAFVGNPSLITIHFYDNPIQFVGRSAFQHLPELRTLTLNGASQITEFPDLTGTANLESLTLTGAQISSLPQTVCNQLPNLQVLDLSYNLLEDLPSFSVCQKLQKIDLRHNEIYEIKVDTFQQLLSLRSLNLAWNKIAIIHPNAFTTLPSLIKLDLSSNLLSSFPVTGLHGLTHLKLTGNHALQSLISSENFPELKIIEMPYAYQCCAFGVCENAYKISNQWNKGDNSSMDDLHKKDAGMFQVQDERDLEDFLLDFEEDLKALHSVQCSPSPGPFKPCEHLLDGWLIRIGVWTIAVLALTCNALVTSTVFRSPLYISPIKLLIGVIAVVNMLTGVSSAVLAGVDAFTFGSFARHGAWWENGVGCQVIGFLSIFASESSVFLLTLAALERGFSVKCSAKFEMKAPFSSLKVIILLCALLALTMAAVPLLGGSEYGASPLCLPLPFGEPSTTGYMVALILLNSLCFLMMTIAYTKLYCNLDKGDLENIWDCSMVKHIALLLFTNCILYCPVAFLSFSSLLNLTFISPEVIKFILLVIVPLPACLNPLLYILFNPHFKEDLVSLGKQTYFWTRSKHPSLMSINSDDVEKQSCDSTQALVTFTSSSIAYDLPPSSVPSPAYPVTESCHLSSVAFVPCL
					

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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	30.9	Very low	223 Å²	223	141.9 Å²	141.9	100%	1.099	79%	0.791	S	S	*	*				0	91.3	0	-69.4	176.5	167.8	0	0	111.6
2	D	30.5	Very low	30.8	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	79%	0.791	S	S	*	*				-142.1	131.8	-58.3	-87.8	-46	0	0	0	110.6
3	T	32.2	Very low	31.2	Very low	126 Å²	126	137.5 Å²	137.5	77%	0.773	77%	0.767	S	S	*	*			trans	18.4	144.8	147.7	60.8	0	0	0	0	120.6
4	S	33.2	Very low	31	Very low	104 Å²	104	136 Å²	136	73%	0.727	76%	0.763	S	S	*	*			cis	-178.6	167.8	-8.6	57.4	0	0	0	0	106.4
5	R	32.5	Very low	31	Very low	228 Å²	228	133.7 Å²	133.7	86%	0.86	75%	0.748	S	S	*	*			cis	-159.8	-179.6	23.3	-144.3	171.1	-164.8	-168.2	5.2	109.6
6	L	33.7	Very low	30.8	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	75%	0.751	S	S	*	*			trans	-52.8	155	179	-71.3	57	0	0	0	114.1
7	G	29.6	Very low	30.7	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	73%	0.73	S	S	*	*			cis	149.1	-175	-6.4	0	0	0	0	0	114.4
8	V	30.9	Very low	30.6	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	73%	0.733	S	S	*	*			trans	78.4	97.1	156.7	-175.1	0	0	0	0	119.5
9	L	28.8	Very low	30.4	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	74%	0.739	S	S	*	*			trans	67.3	154.9	134.1	-86.9	165	0	0	0	124.2
10	L	26.6	Very low	30.4	Very low	145 Å²	145	129.9 Å²	129.9	76%	0.759	74%	0.744	S	S	*	*			trans	79.4	93.3	158.3	-72	159.6	0	0	0	120.7
11	S	26.4	Very low	30.2	Very low	89 Å²	89	127.2 Å²	127.2	62%	0.622	75%	0.745	S	S	*	*				52	113.2	122.1	62.4	0	0	0	0	122.1
12	L	29.3	Very low	29.8	Very low	153 Å²	153	122.2 Å²	122.2	80%	0.801	73%	0.732	S	S	*	*			trans	68.6	155.8	136.7	-70.3	162.9	0	0	0	118.5
13	P	35.9	Very low	29.8	Very low	73 Å²	73	121.2 Å²	121.2	47%	0.474	74%	0.735	S	S	.	*			trans	-106.8	167.2	-152.9	41.2	-35.6	0	0	0	114.3
14	V	29.1	Very low	29.7	Very low	117 Å²	117	120.3 Å²	120.3	71%	0.709	73%	0.734	S	S	*	*			trans	-135.5	112.2	164.5	169.7	0	0	0	0	105.1
15	L	30.3	Very low	29.8	Very low	102 Å²	102	120.8 Å²	120.8	53%	0.534	74%	0.735	S	S	.	*			trans	-75.6	170.7	165.3	76.1	-159.2	0	0	0	110	Q517 D518	L15-Q517 VanDerWaalsContact C-OE1 3.23Å; L15-Q517 HydrophobicContact CD2-CG 4.43Å; L15-Q517 HydrophobicContact CG-CG 4.03Å; L15-Q517 VanDerWaalsContact N-NE2 3.12Å; L15-Q517 VanDerWaalsContact O-CD 3.29Å; L15-Q517 PolarHBondContact O-NE2 3.16Å; L15-Q517 PolarHBondContact O-OE1 3.14Å; L15-D518 VanDerWaalsContact CD1-OD1 3.32Å; L15-D518 WeakPolarHBondContact CD1-OD1 3.41Å; L15-D518 WeakPolarHBondContact CG-OD1 3.39Å
16	L	29	Very low	29.6	Very low	152 Å²	152	122.1 Å²	122.1	80%	0.796	74%	0.74	S	S	*	*			trans	-106.6	134.3	-159.7	-83.4	70	0	0	0	113.3
17	Q	27.8	Very low	29.4	Very low	87 Å²	87	119.9 Å²	119.9	41%	0.407	74%	0.737	S	S	.	*			trans	-122.9	124.8	143.1	-79.7	-160	0.8	0	0	112.3	Q515	Q17-Q515 HydrophobicContact CB-CG 4.31Å; Q17-Q515 HydrophobicContact CG-CG 4.45Å
18	L	29.4	Very low	29.7	Very low	150 Å²	150	120.5 Å²	120.5	79%	0.785	74%	0.744	S	S	*	*			trans	55.9	81.9	137.8	-57.2	171.2	0	0	0	118.3
19	A	26.8	Very low	29.8	Very low	102 Å²	102	119.2 Å²	119.2	84%	0.843	75%	0.747	S	S	*	*			trans	-96.6	131.5	147.5	0	0	0	0	0	109.6	G21	A19-G21 PolarHBondContact O-N 3.03Å
20	A	30.3	Very low	30.3	Very low	100 Å²	100	119.6 Å²	119.6	83%	0.826	75%	0.748	S	S	*	*			trans	-67.5	122.1	-167.8	0	0	0	0	0	114.3
21	G	25.8	Very low	31.5	Very low	74 Å²	74	116.9 Å²	116.9	76%	0.763	73%	0.734	S	S	*	*			trans	-105	70.1	170.5	0	0	0	0	0	112.4	A19 S23	A19-G21 PolarHBondContact O-N 3.03Å; G21-S23 VanDerWaalsContact C-N 3.33Å; G21-S23 PolarHBondContact O-N 2.87Å
22	S	28.7	Very low	32.9	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	75%	0.746	S	S	*	*			trans	-76.4	71.6	-176.3	50	0	0	0	0	113.8
23	S	28.8	Very low	34.7	Very low	115 Å²	115	117.7 Å²	117.7	80%	0.804	72%	0.722	S	S	*	*			trans	-86.5	109.6	167.5	63.1	0	0	0	0	111.3	G21	G21-S23 VanDerWaalsContact C-N 3.33Å; G21-S23 PolarHBondContact O-N 2.87Å
24	S	30.6	Very low	37	Very low	108 Å²	108	116.4 Å²	116.4	76%	0.755	71%	0.714	S	S	*	*			trans	-62.1	161.4	172.9	56.9	0	0	0	0	112.2
25	P	35.1	Very low	39.7	Very low	113 Å²	113	111.3 Å²	111.3	73%	0.734	68%	0.683	S	S	*	*			trans	-75.4	139.6	-147.2	28	-35.8	0	0	0	114.7	S27	P25-S27 PolarHBondContact O-N 3.06Å; P25-S27 VanDerWaalsContact O-N 3.14Å
26	R	28.1	Very low	42.3	Very low	256 Å²	256	112 Å²	112	97%	0.966	69%	0.692	S	S	*	*			trans	-77.3	88.3	155.2	-82.5	-172.3	170.5	179.4	-1.6	109.8
27	S	30.8	Very low	45.1	Very low	112 Å²	112	112.9 Å²	112.9	78%	0.783	69%	0.691	S	S	*	*			trans	-53.2	146.8	164.2	-54.3	0	0	0	0	111.2	P25	P25-S27 PolarHBondContact O-N 3.06Å; P25-S27 VanDerWaalsContact O-N 3.14Å
28	G	35.7	Very low	48.1	Very low	83 Å²	83	109.5 Å²	109.5	86%	0.856	68%	0.677	S	S	*	*			trans	117.8	20	158.7	0	0	0	0	0	118.8
29	A	32.2	Very low	51.1	Low	99 Å²	99	108 Å²	108	82%	0.818	67%	0.666	S	S	*	*			trans	-117.8	74	159.7	0	0	0	0	0	110.1	L31	A29-L31 PolarHBondContact O-N 3.37Å
30	L	39	Very low	54.2	Low	162 Å²	162	103.9 Å²	103.9	85%	0.848	63%	0.631	S	S	*	*			trans	-66.6	102	173.7	-119.3	150.6	0	0	0	108.9	R32	L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.37Å
31	L	52.1	Low	57.1	Low	89 Å²	89	103.6 Å²	103.6	47%	0.466	61%	0.612	S	S	.	*			trans	-61.9	93.6	167.9	-83.3	159.9	0	0	0	108.3	A29 G33 C34 L48	A29-L31 PolarHBondContact O-N 3.37Å; L31-G33 PolarHBondContact O-N 3.09Å; L31-G33 VanDerWaalsContact O-N 3.09Å; L31-C34 PolarHBondContact O-N 3.41Å; L31-L48 HydrophobicContact CD2-CD1 4.19Å
32	R	55.9	Low	60.1	Low	232 Å²	232	104.5 Å²	104.5	88%	0.875	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	112.4	-176.5	-76	-179.4	167.2	-176.1	-4.4	110	L30	L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.37Å
33	G	66.6	Low	62.5	Low	27 Å²	27	101.5 Å²	101.5	28%	0.278	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	104.2	18.4	178.4	0	0	0	0	0	115.6	L31 S65	L31-G33 PolarHBondContact O-N 3.09Å; L31-G33 VanDerWaalsContact O-N 3.09Å; G33-S65 PolarHBondContact O-N 2.92Å
34	C	84.3	Confident	64.9	Low	46 Å²	46	99.2 Å²	99.2	31%	0.311	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-78.9	129.8	159.4	-167.2	0	0	0	0	110.1	L31 C40	L31-C34 PolarHBondContact O-N 3.41Å; C34-C40 WeakPolarHBondContact CA-SG 3.47Å; C34-C40 HydrophobicContact CB-CB 3.74Å; C34-C40 WeakPolarHBondContact CB-SG 3.39Å; C34-C40 WeakPolarHBondContact SG-CB 3.44Å; C34-C40 CovalentContact SG-SG 2.03Å; C34-C40 PolarHBondContact SG-SG 3.2Å
35	P	87.1	Confident	66.8	Low	10 Å²	10	106 Å²	106	7%	0.065	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-71.8	161	176.9	-13.8	28.3	0	0	0	113.2	C38 V50 P61 L64	P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 HydrophobicContact CG-CB 4.48Å; P35-C38 PolarHBondContact O-N 3.27Å; P35-V50 HydrophobicContact CG-CG1 4.3Å; P35-P61 HydrophobicContact CB-CB 3.58Å; P35-P61 HydrophobicContact CB-CG 4.42Å; P35-P61 HydrophobicContact CG-CB 3.76Å; P35-P61 HydrophobicContact CG-CG 4.46Å; P35-L64 HydrophobicContact CG-CD2 3.72Å; P35-L64 HydrophobicContact CG-CG 4.32Å
36	T	83.6	Confident	68.9	Low	117 Å²	117	108.1 Å²	108.1	72%	0.718	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	137	176.5	45.8	0	0	0	0	111.9	C38	T36-C38 PolarHBondContact O-N 3.09Å; T36-C38 VanDerWaalsContact O-N 3.14Å
37	H	87.5	Confident	71.7	Confident	169 Å²	169	98.6 Å²	98.6	78%	0.782	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	-13.4	-177	-53	-80.5	0	0	0	116.5	L55	H37-L55 HydrophobicContact CB-CD1 4.11Å; H37-L55 HydrophobicContact CB-CD2 4.26Å
38	C	91.8	Very high	74.5	Confident	17 Å²	17	93.7 Å²	93.7	12%	0.115	52%	0.518	C	S	.	.			trans	-77.8	154	172.6	-55.4	0	0	0	0	112.3	P35 T36 V50 D51 C52	P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 HydrophobicContact CG-CB 4.48Å; P35-C38 PolarHBondContact O-N 3.27Å; T36-C38 PolarHBondContact O-N 3.09Å; T36-C38 VanDerWaalsContact O-N 3.14Å; C38-V50 HydrophobicContact CB-CG1 4.39Å; C38-D51 CarbonylContact C-O 3.49Å; C38-D51 VanDerWaalsContact CA-O 3.25Å; C38-D51 WeakPolarHBondContact CA-O 3.22Å; C38-D51 VanDerWaalsContact CB-O 3.23Å; C38-D51 WeakPolarHBondContact CB-O 3Å; C38-C52 HydrophobicContact CB-CB 4.1Å; C38-C52 WeakPolarHBondContact CB-SG 3.32Å; C38-C52 WeakPolarHBondContact SG-CB 3.13Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.92Å
39	H	92.9	Very high	77.2	Confident	118 Å²	118	93.7 Å²	93.7	55%	0.546	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.3	167	-167.1	-114	0	0	0	110	E41 D51	H39-E41 IonicContact CE1-OE1 3.35Å; H39-E41 PolarHBondContact CE1-OE1 3.05Å; H39-E41 IonicContact ND1-OE1 2.66Å; H39-D51 HydrophobicContact CB-CB 4.46Å; H39-D51 PolarHBondContact N-O 3.29Å; H39-D51 PolarHBondContact O-N 2.62Å
40	C	91.8	Very high	80.2	Confident	16 Å²	16	89 Å²	89	11%	0.108	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132	178.5	-54.4	0	0	0	0	112.7	C34 L48 R49	C34-C40 WeakPolarHBondContact CA-SG 3.47Å; C34-C40 HydrophobicContact CB-CB 3.74Å; C34-C40 WeakPolarHBondContact CB-SG 3.39Å; C34-C40 WeakPolarHBondContact SG-CB 3.44Å; C34-C40 CovalentContact SG-SG 2.03Å; C34-C40 PolarHBondContact SG-SG 3.2Å; C40-L48 HydrophobicContact CB-CD1 4.19Å; C40-L48 HydrophobicContact CB-CD2 4.32Å; C40-L48 HydrophobicContact CB-CG 4.32Å; C40-R49 CarbonylContact C-O 3.6Å; C40-R49 WeakPolarHBondContact CA-O 3.49Å
41	E	91.3	Very high	82.9	Confident	93 Å²	93	84.1 Å²	84.1	44%	0.435	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.3	-175.8	-58.5	-174.8	152	0	0	111.4	H39 D43 L48 R49	H39-E41 IonicContact CE1-OE1 3.35Å; H39-E41 PolarHBondContact CE1-OE1 3.05Å; H39-E41 IonicContact ND1-OE1 2.66Å; E41-D43 PolarHBondContact O-N 3.39Å; E41-L48 WeakPolarHBondContact O-CA 3.31Å; E41-L48 WeakPolarHBondContact O-CD1 3.02Å; E41-R49 HydrophobicContact CB-CB 4.31Å; E41-R49 PolarHBondContact N-O 2.86Å; E41-R49 PolarHBondContact O-N 3.43Å
42	P	87.6	Confident	84.9	Confident	93 Å²	93	79.9 Å²	79.9	60%	0.604	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	126	175.5	29.6	-33.7	0	0	0	111.3
43	D	79.3	Confident	86.9	Confident	57 Å²	57	70.7 Å²	70.7	31%	0.305	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	107.5	171.6	-163.9	-9.9	0	0	0	109	E41 R45 L47 R49 S69	E41-D43 PolarHBondContact O-N 3.39Å; D43-R45 PolarHBondContact O-N 2.86Å; D43-L47 HydrophobicContact CB-CB 3.79Å; D43-L47 PolarHBondContact N-O 2.81Å; D43-L47 WeakPolarHBondContact O-CB 3.46Å; D43-L47 PolarHBondContact O-N 2.95Å; D43-R49 HydrophobicContact CB-CG 3.87Å; D43-S69 WeakPolarHBondContact CB-OG 3.4Å; D43-S69 WeakPolarHBondContact OD2-CB 3.41Å; D43-S69 PolarHBondContact OD2-OG 3.08Å
44	G	78.9	Confident	88.2	Confident	66 Å²	66	75.7 Å²	75.7	68%	0.68	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-127.3	-169.7	0	0	0	0	0	112.8
45	R	71.9	Confident	88.7	Confident	252 Å²	252	76.8 Å²	76.8	95%	0.951	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-12.5	-176	-72.6	-172.3	177.9	-178.1	0.4	115.4	D43	D43-R45 PolarHBondContact O-N 2.86Å
46	M	78	Confident	89	Confident	156 Å²	156	78.6 Å²	78.6	77%	0.768	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.2	-10.9	-168.9	-69.8	-168.5	175.4	0	0	115.3	F67	M46-F67 WeakPolarHBondContact O-CB 3.47Å; M46-F67 WeakPolarHBondContact O-CD1 3.49Å
47	L	86.6	Confident	89.4	Confident	56 Å²	56	75.2 Å²	75.2	29%	0.293	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	171.4	179.5	-64	172.3	0	0	0	110	D43 F67 F91	D43-L47 HydrophobicContact CB-CB 3.79Å; D43-L47 PolarHBondContact N-O 2.81Å; D43-L47 WeakPolarHBondContact O-CB 3.46Å; D43-L47 PolarHBondContact O-N 2.95Å; L47-F67 CarbonylContact C-O 3.32Å; L47-F67 VanDerWaalsContact CA-O 3.31Å; L47-F67 WeakPolarHBondContact CA-O 3.26Å; L47-F67 WeakPolarHBondContact CD2-O 3.33Å; L47-F91 HydrophobicContact CD2-CB 3.74Å; L47-F91 HydrophobicContact CD2-CD1 4.46Å; L47-F91 HydrophobicContact CD2-CD2 4.23Å; L47-F91 HydrophobicContact CD2-CG 3.92Å
48	L	89.9	Confident	89.5	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.052	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.3	-173.8	-165.6	75.7	0	0	0	110.8	L31 C40 E41 V50 F67 T68 S69	L31-L48 HydrophobicContact CD2-CD1 4.19Å; C40-L48 HydrophobicContact CB-CD1 4.19Å; C40-L48 HydrophobicContact CB-CD2 4.32Å; C40-L48 HydrophobicContact CB-CG 4.32Å; E41-L48 WeakPolarHBondContact O-CA 3.31Å; E41-L48 WeakPolarHBondContact O-CD1 3.02Å; L48-V50 HydrophobicContact CD2-CG2 3.69Å; L48-V50 HydrophobicContact CG-CG2 4.04Å; L48-F67 PolarHBondContact N-O 3.24Å; L48-T68 CarbonylContact O-C 3.52Å; L48-T68 VanDerWaalsContact O-CA 3.26Å; L48-T68 WeakPolarHBondContact O-CA 3.42Å; L48-S69 PolarHBondContact O-N 3.24Å; L48-S69 PolarHBondContact O-OG 3.25Å
49	R	93.6	Very high	89.3	Confident	83 Å²	83	76.6 Å²	76.6	31%	0.313	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.3	162.9	-46.6	-175.3	60.2	72	1.7	107.6	C40 E41 D43 Y70	C40-R49 CarbonylContact C-O 3.6Å; C40-R49 WeakPolarHBondContact CA-O 3.49Å; E41-R49 HydrophobicContact CB-CB 4.31Å; E41-R49 PolarHBondContact N-O 2.86Å; E41-R49 PolarHBondContact O-N 3.43Å; D43-R49 HydrophobicContact CB-CG 3.87Å; R49-Y70 HydrophobicContact CB-CD1 4.04Å; R49-Y70 HydrophobicContact CB-CG 4.48Å; R49-Y70 VanDerWaalsContact NH2-CG 3.34Å
50	V	94	Very high	88.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.4	176.3	179.2	0	0	0	0	108.1	P35 C38 L48 L64 T68 Y70 L71 D72	P35-V50 HydrophobicContact CG-CG1 4.3Å; C38-V50 HydrophobicContact CB-CG1 4.39Å; L48-V50 HydrophobicContact CD2-CG2 3.69Å; L48-V50 HydrophobicContact CG-CG2 4.04Å; V50-L64 HydrophobicContact CG1-CD2 4.03Å; V50-T68 HydrophobicContact CB-CG2 4.12Å; V50-T68 HydrophobicContact CG2-CG2 3.76Å; V50-Y70 PolarHBondContact N-O 3.03Å; V50-L71 HydrophobicContact CB-CD1 3.96Å; V50-L71 HydrophobicContact CG1-CD1 3.79Å; V50-L71 WeakPolarHBondContact O-CA 3.25Å; V50-D72 PolarHBondContact O-N 3.11Å
51	D	96.3	Very high	88.6	Confident	59 Å²	59	73 Å²	73	32%	0.316	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	177	-167.8	-17.5	0	0	0	109.3	C38 H39 S53	C38-D51 CarbonylContact C-O 3.49Å; C38-D51 VanDerWaalsContact CA-O 3.25Å; C38-D51 WeakPolarHBondContact CA-O 3.22Å; C38-D51 VanDerWaalsContact CB-O 3.23Å; C38-D51 WeakPolarHBondContact CB-O 3Å; H39-D51 HydrophobicContact CB-CB 4.46Å; H39-D51 PolarHBondContact N-O 3.29Å; H39-D51 PolarHBondContact O-N 2.62Å; D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.41Å; D51-S53 PolarHBondContact OD1-N 2.9Å; D51-S53 PolarHBondContact OD1-OG 3.11Å
52	C	94.8	Very high	87.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	41%	0.412	C	S	.	.			trans	-123.5	25.4	177.4	-60.1	0	0	0	0	110.5	C38 L55 L57 P61 D72 L73 N76	C38-C52 HydrophobicContact CB-CB 4.1Å; C38-C52 WeakPolarHBondContact CB-SG 3.32Å; C38-C52 WeakPolarHBondContact SG-CB 3.13Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.92Å; C52-L55 HydrophobicContact CB-CD1 4.13Å; C52-L57 HydrophobicContact CB-CD1 4.07Å; C52-P61 HydrophobicContact CB-CG 4.46Å; C52-D72 CarbonylContact C-O 3.55Å; C52-D72 WeakPolarHBondContact CA-O 3.23Å; C52-D72 WeakPolarHBondContact CB-O 3.04Å; C52-D72 PolarHBondContact N-O 3.37Å; C52-L73 HydrophobicContact CB-CD2 3.74Å; C52-N76 PolarHBondContact O-ND2 2.68Å
53	S	96.2	Very high	87.5	Confident	40 Å²	40	75.1 Å²	75.1	28%	0.28	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	152.2	-178.3	62.2	0	0	0	0	113.1	D51 L55 S74	D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.41Å; D51-S53 PolarHBondContact OD1-N 2.9Å; D51-S53 PolarHBondContact OD1-OG 3.11Å; S53-L55 PolarHBondContact O-N 2.85Å; S53-L55 VanDerWaalsContact O-N 3.14Å; S53-S74 CarbonylContact C-O 3.54Å; S53-S74 WeakPolarHBondContact CA-O 3.41Å; S53-S74 WeakPolarHBondContact CB-O 3.25Å
54	D	95.9	Very high	87.9	Confident	131 Å²	131	73.6 Å²	73.6	70%	0.701	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	29.2	178.5	-154.7	33.2	0	0	0	115.4	S74 M75	D54-S74 PolarHBondContact N-O 2.03Å; D54-M75 WeakPolarHBondContact CA-O 3.48Å; D54-M75 HydrophobicContact CB-CB 4.34Å
55	L	93.8	Very high	88.3	Confident	69 Å²	69	71.3 Å²	71.3	36%	0.361	38%	0.379	S	S	.	.	S	Bend	trans	-96.7	0.9	180	-70.1	-178	0	0	0	113.8	H37 C52 S53 L57 N76	H37-L55 HydrophobicContact CB-CD1 4.11Å; H37-L55 HydrophobicContact CB-CD2 4.26Å; C52-L55 HydrophobicContact CB-CD1 4.13Å; S53-L55 PolarHBondContact O-N 2.85Å; S53-L55 VanDerWaalsContact O-N 3.14Å; L55-L57 HydrophobicContact CB-CD1 4.26Å; L55-L57 HydrophobicContact CB-CD2 4.27Å; L55-L57 HydrophobicContact CB-CG 3.83Å; L55-L57 HydrophobicContact CD1-CD1 4.45Å; L55-L57 PolarHBondContact O-N 2.96Å; L55-N76 PolarHBondContact N-OD1 2.8Å
56	G	93	Very high	89.1	Confident	49 Å²	49	61.9 Å²	61.9	51%	0.505	35%	0.349	S	S	.	.			trans	64.7	20.9	-178.4	0	0	0	0	0	114.9	N76	G56-N76 PolarHBondContact N-OD1 2.82Å
57	L	91.4	Very high	89.6	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.241	33%	0.333	C	S	.	.			trans	-63.1	132.1	-175	-60.5	173.3	0	0	0	112	C52 L55 P61 L73 N76 N77 I78	C52-L57 HydrophobicContact CB-CD1 4.07Å; L55-L57 HydrophobicContact CB-CD1 4.26Å; L55-L57 HydrophobicContact CB-CD2 4.27Å; L55-L57 HydrophobicContact CB-CG 3.83Å; L55-L57 HydrophobicContact CD1-CD1 4.45Å; L55-L57 PolarHBondContact O-N 2.96Å; L57-P61 HydrophobicContact CD1-CG 4.21Å; L57-L73 HydrophobicContact CD1-CD2 4.19Å; L57-N76 HydrophobicContact CB-CB 4.2Å; L57-N76 WeakPolarHBondContact CB-OD1 3.5Å; L57-N76 WeakPolarHBondContact CG-OD1 3.49Å; L57-N76 PolarHBondContact N-OD1 2.92Å; L57-N77 CarbonylContact O-C 3.49Å; L57-N77 WeakPolarHBondContact O-CA 3.41Å; L57-N77 PolarHBondContact O-N 3.14Å; L57-I78 WeakPolarHBondContact O-CG1 3.21Å; L57-I78 PolarHBondContact O-N 3.44Å
58	S	90.3	Very high	89.9	Confident	72 Å²	72	56.5 Å²	56.5	50%	0.503	32%	0.319	S	S	.	.	S	Bend	trans	-87.9	-20.1	173.5	-54.3	0	0	0	0	113.7
59	E	87.4	Confident	90.1	Very high	143 Å²	143	56.2 Å²	56.2	67%	0.668	32%	0.318	S	S	*	.	S	Bend	trans	-143.1	167.5	-175.7	-66.4	-173.7	-172.2	0	0	110.2
60	L	85.9	Confident	90.2	Very high	37 Å²	37	53 Å²	53	19%	0.194	31%	0.306	C	S	.	.			trans	-77.3	147.3	-177.9	-80.9	78.8	0	0	0	112.5	S62 L73 I78 L81 P85 L86	L60-S62 PolarHBondContact O-N 3.41Å; L60-L73 HydrophobicContact CD2-CD1 3.96Å; L60-L73 HydrophobicContact CG-CD1 3.99Å; L60-I78 HydrophobicContact CD1-CD1 4.09Å; L60-I78 HydrophobicContact CD1-CG2 3.92Å; L60-I78 HydrophobicContact CG-CD1 4.43Å; L60-L81 HydrophobicContact CD1-CD2 3.55Å; L60-P85 HydrophobicContact CD2-CB 4.49Å; L60-L86 HydrophobicContact CD2-CD1 4.23Å; L60-L86 HydrophobicContact CD2-CD2 3.99Å; L60-L86 HydrophobicContact CD2-CG 4.21Å
61	P	85.4	Confident	90.2	Very high	22 Å²	22	53 Å²	53	14%	0.143	31%	0.306	C	S	.	.			trans	-63.1	128.5	178.3	-18.5	29.4	0	0	0	112.8	P35 C52 L57 N63 L64 L73	P35-P61 HydrophobicContact CB-CB 3.58Å; P35-P61 HydrophobicContact CB-CG 4.42Å; P35-P61 HydrophobicContact CG-CB 3.76Å; P35-P61 HydrophobicContact CG-CG 4.46Å; C52-P61 HydrophobicContact CB-CG 4.46Å; L57-P61 HydrophobicContact CD1-CG 4.21Å; P61-N63 PolarHBondContact O-N 3.38Å; P61-L64 HydrophobicContact CB-CG 4.38Å; P61-L64 WeakPolarHBondContact O-CD1 3.17Å; P61-L64 WeakPolarHBondContact O-CG 3.13Å; P61-L73 HydrophobicContact CG-CD2 4.04Å
62	S	76.4	Confident	90.3	Very high	111 Å²	111	50.6 Å²	50.6	78%	0.776	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.2	-170.6	54.5	0	0	0	0	115.9	L60	L60-S62 PolarHBondContact O-N 3.41Å
63	N	79.1	Confident	90.3	Very high	118 Å²	118	50.6 Å²	50.6	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	41.6	-172.1	-74	-46.5	0	0	0	113.4	P61	P61-N63 PolarHBondContact O-N 3.38Å
64	L	86.3	Confident	90.4	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.131	29%	0.286	C	S	.	.			trans	-70.3	131.7	178.8	-72.1	164.2	0	0	0	112.5	P35 V50 P61 L71 L86 L89	P35-L64 HydrophobicContact CG-CD2 3.72Å; P35-L64 HydrophobicContact CG-CG 4.32Å; V50-L64 HydrophobicContact CG1-CD2 4.03Å; P61-L64 HydrophobicContact CB-CG 4.38Å; P61-L64 WeakPolarHBondContact O-CD1 3.17Å; P61-L64 WeakPolarHBondContact O-CG 3.13Å; L64-L71 HydrophobicContact CD1-CD2 3.84Å; L64-L71 HydrophobicContact CD2-CD1 3.86Å; L64-L71 HydrophobicContact CD2-CD2 4.28Å; L64-L86 HydrophobicContact CD1-CD2 3.64Å; L64-L89 HydrophobicContact CB-CD1 4.48Å; L64-L89 HydrophobicContact CB-CD2 4.37Å; L64-L89 HydrophobicContact CD1-CD1 4.35Å
65	S	88.1	Confident	90.4	Very high	18 Å²	18	48.5 Å²	48.5	13%	0.126	28%	0.278	C	S	.	.			trans	-67.1	138.5	176.9	-174.4	0	0	0	0	112.8	G33 F67 T68 L89	G33-S65 PolarHBondContact O-N 2.92Å; S65-F67 PolarHBondContact O-N 2.64Å; S65-F67 VanDerWaalsContact O-N 3.09Å; S65-F67 PolarHBondContact OG-N 2.69Å; S65-T68 WeakPolarHBondContact O-CB 3.31Å; S65-T68 PolarHBondContact O-N 2.84Å; S65-T68 VanDerWaalsContact O-N 3.11Å; S65-T68 PolarHBondContact O-OG1 3.25Å; S65-L89 WeakPolarHBondContact O-CD2 3.49Å
66	V	88.2	Confident	90.5	Very high	54 Å²	54	45.8 Å²	45.8	33%	0.327	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	174	174.6	0	0	0	0	112.7	F91	V66-F91 WeakPolarHBondContact O-CD2 3.18Å
67	F	89.6	Confident	90.7	Very high	100 Å²	100	48 Å²	48	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.7	-178.9	-62.2	-76.7	0	0	0	114.2	M46 L47 L48 S65 S69 F91	M46-F67 WeakPolarHBondContact O-CB 3.47Å; M46-F67 WeakPolarHBondContact O-CD1 3.49Å; L47-F67 CarbonylContact C-O 3.32Å; L47-F67 VanDerWaalsContact CA-O 3.31Å; L47-F67 WeakPolarHBondContact CA-O 3.26Å; L47-F67 WeakPolarHBondContact CD2-O 3.33Å; L48-F67 PolarHBondContact N-O 3.24Å; S65-F67 PolarHBondContact O-N 2.64Å; S65-F67 VanDerWaalsContact O-N 3.09Å; S65-F67 PolarHBondContact OG-N 2.69Å; F67-S69 PolarHBondContact O-N 2.78Å; F67-F91 HydrophobicContact CD1-CD2 4.41Å; F67-F91 HydrophobicContact CD1-CE2 4.25Å; F67-F91 HydrophobicContact CE1-CE2 4.43Å
68	T	91.6	Very high	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	119.4	179	-55.1	0	0	0	0	111.3	L48 V50 S65 Y70 L71 F91 L92	L48-T68 CarbonylContact O-C 3.52Å; L48-T68 VanDerWaalsContact O-CA 3.26Å; L48-T68 WeakPolarHBondContact O-CA 3.42Å; V50-T68 HydrophobicContact CB-CG2 4.12Å; V50-T68 HydrophobicContact CG2-CG2 3.76Å; S65-T68 WeakPolarHBondContact O-CB 3.31Å; S65-T68 PolarHBondContact O-N 2.84Å; S65-T68 VanDerWaalsContact O-N 3.11Å; S65-T68 PolarHBondContact O-OG1 3.25Å; T68-Y70 WeakPolarHBondContact CG2-O 3.28Å; T68-L71 HydrophobicContact CG2-CB 4.13Å; T68-F91 CarbonylContact O-C 3.49Å; T68-L92 HydrophobicContact CG2-CD1 3.89Å; T68-L92 WeakPolarHBondContact O-CA 3.37Å; T68-L92 PolarHBondContact O-N 2.94Å
69	S	94.1	Very high	90.8	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-28.7	174.3	49.8	0	0	0	0	112.6	D43 L48 F67 E93 E94	D43-S69 WeakPolarHBondContact CB-OG 3.4Å; D43-S69 WeakPolarHBondContact OD2-CB 3.41Å; D43-S69 PolarHBondContact OD2-OG 3.08Å; L48-S69 PolarHBondContact O-N 3.24Å; L48-S69 PolarHBondContact O-OG 3.25Å; F67-S69 PolarHBondContact O-N 2.78Å; S69-E93 PolarHBondContact O-N 3.01Å; S69-E94 PolarHBondContact O-N 2.58Å
70	Y	96.1	Very high	90.8	Very high	16 Å²	16	45.2 Å²	45.2	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.7	-179.6	170.7	-84.2	0	0	0	109.2	R49 V50 T68 D72 E94 R96	R49-Y70 HydrophobicContact CB-CD1 4.04Å; R49-Y70 HydrophobicContact CB-CG 4.48Å; R49-Y70 VanDerWaalsContact NH2-CG 3.34Å; V50-Y70 PolarHBondContact N-O 3.03Å; T68-Y70 WeakPolarHBondContact CG2-O 3.28Å; Y70-D72 HydrophobicContact CE1-CB 3.78Å; Y70-D72 PolarHBondContact OH-OD2 2.92Å; Y70-E94 HydrophobicContact CD2-CB 3.92Å; Y70-E94 HydrophobicContact CD2-CG 3.84Å; Y70-E94 VanDerWaalsContact CD2-OE2 3.28Å; Y70-E94 WeakPolarHBondContact CD2-OE2 3.48Å; Y70-E94 VanDerWaalsContact CE2-CD 3.49Å; Y70-E94 HydrophobicContact CE2-CG 4.01Å; Y70-E94 WeakPolarHBondContact CE2-OE2 3.45Å; Y70-R96 PolarHBondContact OH-NE 2.99Å; Y70-R96 PolarHBondContact OH-NH1 2.81Å
71	L	95.2	Very high	90.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.5	176.5	179.1	55.8	0	0	0	110.4	V50 L64 T68 L73 L86 L89 L92 E94 L95 R96	V50-L71 HydrophobicContact CB-CD1 3.96Å; V50-L71 HydrophobicContact CG1-CD1 3.79Å; V50-L71 WeakPolarHBondContact O-CA 3.25Å; L64-L71 HydrophobicContact CD1-CD2 3.84Å; L64-L71 HydrophobicContact CD2-CD1 3.86Å; L64-L71 HydrophobicContact CD2-CD2 4.28Å; T68-L71 HydrophobicContact CG2-CB 4.13Å; L71-L73 HydrophobicContact CD1-CD1 4.43Å; L71-L73 HydrophobicContact CD1-CG 4.18Å; L71-L73 HydrophobicContact CD2-CD1 3.99Å; L71-L73 HydrophobicContact CG-CD1 4.03Å; L71-L73 HydrophobicContact CG-CG 4.16Å; L71-L86 HydrophobicContact CD2-CD1 4.47Å; L71-L86 HydrophobicContact CD2-CD2 4.45Å; L71-L89 HydrophobicContact CD2-CD1 4.29Å; L71-L92 HydrophobicContact CB-CD1 3.72Å; L71-E94 PolarHBondContact N-O 2.84Å; L71-L95 HydrophobicContact CB-CD1 4.11Å; L71-L95 HydrophobicContact CD2-CD1 3.96Å; L71-L95 HydrophobicContact CG-CD1 4.04Å; L71-R96 PolarHBondContact O-N 3.05Å
72	D	97.3	Very high	90.3	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.9	170.7	-146.9	-33.6	0	0	0	111	V50 C52 Y70 S74 R96	V50-D72 PolarHBondContact O-N 3.11Å; C52-D72 CarbonylContact C-O 3.55Å; C52-D72 WeakPolarHBondContact CA-O 3.23Å; C52-D72 WeakPolarHBondContact CB-O 3.04Å; C52-D72 PolarHBondContact N-O 3.37Å; Y70-D72 HydrophobicContact CE1-CB 3.78Å; Y70-D72 PolarHBondContact OH-OD2 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.06Å; D72-S74 PolarHBondContact OD1-N 2.93Å; D72-S74 PolarHBondContact OD1-OG 2.03Å; D72-R96 VanDerWaalsContact CG-CD 3.44Å; D72-R96 WeakPolarHBondContact OD1-CB 3.49Å; D72-R96 WeakPolarHBondContact OD2-CD 3.26Å; D72-R96 IonicContact OD2-CZ 3.75Å; D72-R96 IonicContact OD2-NE 2.84Å; D72-R96 IonicContact OD2-NH1 3.24Å; D72-R96 PolarHBondContact OD2-NH1 2.93Å
73	L	95.8	Very high	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.			trans	-127.8	21.6	173.7	-68.5	160.3	0	0	0	110.2	C52 L57 L60 P61 L71 N76 I78 L95 R96 L97 N100	C52-L73 HydrophobicContact CB-CD2 3.74Å; L57-L73 HydrophobicContact CD1-CD2 4.19Å; L60-L73 HydrophobicContact CD2-CD1 3.96Å; L60-L73 HydrophobicContact CG-CD1 3.99Å; P61-L73 HydrophobicContact CG-CD2 4.04Å; L71-L73 HydrophobicContact CD1-CD1 4.43Å; L71-L73 HydrophobicContact CD1-CG 4.18Å; L71-L73 HydrophobicContact CD2-CD1 3.99Å; L71-L73 HydrophobicContact CG-CD1 4.03Å; L71-L73 HydrophobicContact CG-CG 4.16Å; L73-N76 VanDerWaalsContact C-ND2 3.28Å; L73-N76 PolarHBondContact O-ND2 3.1Å; L73-I78 HydrophobicContact CB-CD1 4.25Å; L73-I78 HydrophobicContact CD2-CD1 4.41Å; L73-L95 HydrophobicContact CD1-CD1 4.5Å; L73-R96 WeakPolarHBondContact CA-O 3.42Å; L73-R96 WeakPolarHBondContact CB-O 3.43Å; L73-R96 PolarHBondContact N-O 2.93Å; L73-L97 HydrophobicContact CB-CD2 3.97Å; L73-L97 HydrophobicContact CD1-CD2 3.83Å; L73-N100 PolarHBondContact O-ND2 3.28Å
74	S	97.1	Very high	88.8	Confident	18 Å²	18	46 Å²	46	13%	0.126	25%	0.246	C	C	.	.			trans	-68	156.1	-175.7	-53.1	0	0	0	0	113	S53 D54 D72 N76 R96 A98	S53-S74 CarbonylContact C-O 3.54Å; S53-S74 WeakPolarHBondContact CA-O 3.41Å; S53-S74 WeakPolarHBondContact CB-O 3.25Å; D54-S74 PolarHBondContact N-O 2.03Å; D72-S74 WeakPolarHBondContact OD1-CB 3.06Å; D72-S74 PolarHBondContact OD1-N 2.93Å; D72-S74 PolarHBondContact OD1-OG 2.03Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.67Å; S74-N76 PolarHBondContact O-ND2 3.22Å; S74-R96 WeakPolarHBondContact OG-CB 3.15Å; S74-A98 CarbonylContact C-O 3.48Å; S74-A98 WeakPolarHBondContact CA-O 3.47Å
75	M	97.1	Very high	87.6	Confident	109 Å²	109	46.7 Å²	46.7	54%	0.537	25%	0.252	S	S	.	.	S	Bend	trans	56.7	43.3	179.2	-54.7	-57.2	-65.2	0	0	113.2	D54 A98 G99	D54-M75 WeakPolarHBondContact CA-O 3.48Å; D54-M75 HydrophobicContact CB-CB 4.34Å; M75-A98 PolarHBondContact N-O 3.14Å; M75-G99 VanDerWaalsContact CA-O 3.28Å; M75-G99 WeakPolarHBondContact CA-O 3.49Å; M75-G99 PolarHBondContact N-O 3.36Å
76	N	95.9	Very high	86.6	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.064	25%	0.248	C	C	.	.	S	Bend	trans	-117.4	175.8	176.1	-78.4	-69	0	0	0	110.6	C52 L55 G56 L57 L73 S74 I78 G99 N100	C52-N76 PolarHBondContact O-ND2 2.68Å; L55-N76 PolarHBondContact N-OD1 2.8Å; G56-N76 PolarHBondContact N-OD1 2.82Å; L57-N76 HydrophobicContact CB-CB 4.2Å; L57-N76 WeakPolarHBondContact CB-OD1 3.5Å; L57-N76 WeakPolarHBondContact CG-OD1 3.49Å; L57-N76 PolarHBondContact N-OD1 2.92Å; L73-N76 VanDerWaalsContact C-ND2 3.28Å; L73-N76 PolarHBondContact O-ND2 3.1Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.67Å; S74-N76 PolarHBondContact O-ND2 3.22Å; N76-I78 HydrophobicContact CB-CD1 4.32Å; N76-I78 HydrophobicContact CB-CG1 4.08Å; N76-G99 PolarHBondContact N-O 2.9Å; N76-N100 VanDerWaalsContact C-OD1 3.24Å; N76-N100 WeakPolarHBondContact CB-OD1 3.18Å; N76-N100 WeakPolarHBondContact O-CA 3.29Å; N76-N100 PolarHBondContact O-OD1 2.85Å
77	N	95.7	Very high	85.4	Confident	96 Å²	96	47 Å²	47	51%	0.513	26%	0.255	S	S	.	.			trans	-102.1	30	-178.3	-165	31.6	0	0	0	112.2	L57 S79	L57-N77 CarbonylContact O-C 3.49Å; L57-N77 WeakPolarHBondContact O-CA 3.41Å; L57-N77 PolarHBondContact O-N 3.14Å; N77-S79 PolarHBondContact O-N 3.18Å; N77-S79 VanDerWaalsContact O-N 3.12Å
78	I	94.3	Very high	84.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.			trans	-73	109.5	-175.7	-53.4	172.6	0	0	0	108.5	L57 L60 L73 N76 Q80 L81 L97 N100 A101 L102	L57-I78 WeakPolarHBondContact O-CG1 3.21Å; L57-I78 PolarHBondContact O-N 3.44Å; L60-I78 HydrophobicContact CD1-CD1 4.09Å; L60-I78 HydrophobicContact CD1-CG2 3.92Å; L60-I78 HydrophobicContact CG-CD1 4.43Å; L73-I78 HydrophobicContact CB-CD1 4.25Å; L73-I78 HydrophobicContact CD2-CD1 4.41Å; N76-I78 HydrophobicContact CB-CD1 4.32Å; N76-I78 HydrophobicContact CB-CG1 4.08Å; I78-Q80 WeakPolarHBondContact CG2-O 3.37Å; I78-L81 HydrophobicContact CG2-CD2 4.16Å; I78-L97 HydrophobicContact CD1-CD2 4.44Å; I78-N100 WeakPolarHBondContact CB-OD1 3.16Å; I78-N100 VanDerWaalsContact CG1-OD1 3.32Å; I78-N100 WeakPolarHBondContact CG1-OD1 3.29Å; I78-N100 PolarHBondContact N-OD1 2.85Å; I78-N100 VanDerWaalsContact N-OD1 3.11Å; I78-A101 CarbonylContact O-C 3.04Å; I78-A101 WeakPolarHBondContact O-CA 3.39Å; I78-A101 PolarHBondContact O-N 2.78Å; I78-L102 HydrophobicContact CG2-CD2 4.17Å; I78-L102 WeakPolarHBondContact O-CD2 3.43Å; I78-L102 PolarHBondContact O-N 3.14Å
79	S	91.1	Very high	84.5	Confident	59 Å²	59	45.2 Å²	45.2	41%	0.413	26%	0.255	S	S	.	.			trans	-91	-25.7	-175	61.3	0	0	0	0	114.2	N77 A101	N77-S79 PolarHBondContact O-N 3.18Å; N77-S79 VanDerWaalsContact O-N 3.12Å; S79-A101 WeakPolarHBondContact CA-O 3.49Å
80	Q	86.9	Confident	84.3	Confident	143 Å²	143	51.4 Å²	51.4	67%	0.668	28%	0.278	S	S	*	.			trans	-144.1	145.1	177.8	-61.2	-172.2	10.4	0	0	110.4	I78	I78-Q80 WeakPolarHBondContact CG2-O 3.37Å
81	L	85.1	Confident	84.1	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.063	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-93.6	135.9	164.9	-56.5	178.3	0	0	0	108.6	L60 I78 L97 L102 I105 P106 A109 F110	L60-L81 HydrophobicContact CD1-CD2 3.55Å; I78-L81 HydrophobicContact CG2-CD2 4.16Å; L81-L97 HydrophobicContact CD1-CD1 4.05Å; L81-L97 HydrophobicContact CD2-CD1 4.39Å; L81-L97 HydrophobicContact CD2-CD2 4.23Å; L81-L102 HydrophobicContact CD1-CD1 4.4Å; L81-L102 HydrophobicContact CD2-CD2 4.09Å; L81-L102 HydrophobicContact CG-CD1 4.43Å; L81-L102 HydrophobicContact CG-CD2 3.9Å; L81-I105 HydrophobicContact CD1-CG1 4.38Å; L81-I105 HydrophobicContact CD1-CG2 4.19Å; L81-P106 VanDerWaalsContact O-CG 3.31Å; L81-P106 WeakPolarHBondContact O-CG 3.45Å; L81-A109 HydrophobicContact CD1-CB 4.18Å; L81-F110 HydrophobicContact CD1-CE1 4.27Å; L81-F110 HydrophobicContact CD1-CZ 4.3Å
82	L	75.6	Confident	84	Confident	117 Å²	117	54.2 Å²	54.2	61%	0.613	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-68.5	153.4	169.9	-72.5	162.6	0	0	0	110.6	P85	L82-P85 HydrophobicContact CB-CB 4.37Å; L82-P85 WeakPolarHBondContact O-CD 3.28Å; L82-P85 VanDerWaalsContact O-CG 3.29Å; L82-P85 WeakPolarHBondContact O-CG 3.38Å
83	P	62.4	Low	84	Confident	79 Å²	79	57.2 Å²	57.2	51%	0.513	30%	0.304	S	S	.	.	S	Bend	trans	-72.8	130.7	169.6	29.8	-33.1	0	0	0	110.8
84	N	62.2	Low	84.1	Confident	95 Å²	95	59 Å²	59	51%	0.508	31%	0.312	S	S	.	.	S	Bend	trans	53.5	59.5	-168.7	-50.7	-72	0	0	0	114.3	P87 G108 T111	N84-P87 HydrophobicContact CB-CG 4.32Å; N84-P87 VanDerWaalsContact O-CD 3.28Å; N84-P87 WeakPolarHBondContact O-CD 3.47Å; N84-G108 VanDerWaalsContact CA-O 3.29Å; N84-G108 WeakPolarHBondContact CA-O 3.37Å; N84-G108 PolarHBondContact N-O 2.65Å; N84-T111 PolarHBondContact OD1-OG1 3.05Å
85	P	60.2	Low	84.1	Confident	40 Å²	40	58.1 Å²	58.1	26%	0.26	31%	0.306	S	S	.	.	S	Bend	trans	-82.3	-29.2	179.4	32.3	-26.3	0	0	0	112.7	L60 L82 A109	L60-P85 HydrophobicContact CD2-CB 4.49Å; L82-P85 HydrophobicContact CB-CB 4.37Å; L82-P85 WeakPolarHBondContact O-CD 3.28Å; L82-P85 VanDerWaalsContact O-CG 3.29Å; L82-P85 WeakPolarHBondContact O-CG 3.38Å; P85-A109 VanDerWaalsContact CD-O 3.26Å; P85-A109 WeakPolarHBondContact CD-O 3.43Å; P85-A109 WeakPolarHBondContact CG-O 3.44Å
86	L	67.8	Low	84.1	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	29%	0.293	C	S	.	.	S	Bend	trans	-123.4	29	-173	-55.6	175.2	0	0	0	115.5	L60 L64 L71 S88 L89 L95 L113	L60-L86 HydrophobicContact CD2-CD1 4.23Å; L60-L86 HydrophobicContact CD2-CD2 3.99Å; L60-L86 HydrophobicContact CD2-CG 4.21Å; L64-L86 HydrophobicContact CD1-CD2 3.64Å; L71-L86 HydrophobicContact CD2-CD1 4.47Å; L71-L86 HydrophobicContact CD2-CD2 4.45Å; L86-S88 PolarHBondContact O-N 2.84Å; L86-L89 HydrophobicContact CB-CD1 4.25Å; L86-L89 HydrophobicContact CB-CG 4.34Å; L86-L89 HydrophobicContact CD2-CD1 3.83Å; L86-L89 HydrophobicContact CG-CD1 4.44Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-L89 VanDerWaalsContact O-N 3.11Å; L86-L95 HydrophobicContact CD1-CD1 4.38Å; L86-L95 HydrophobicContact CD1-CD2 4.02Å; L86-L113 HydrophobicContact CB-CD2 3.93Å; L86-L113 HydrophobicContact CD1-CD1 4.44Å
87	P	62.4	Low	84.2	Confident	73 Å²	73	55.8 Å²	55.8	47%	0.474	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.1	-168.2	31.2	-38.7	0	0	0	115.1	N84 T111	N84-P87 HydrophobicContact CB-CG 4.32Å; N84-P87 VanDerWaalsContact O-CD 3.28Å; N84-P87 WeakPolarHBondContact O-CD 3.47Å; P87-T111 WeakPolarHBondContact CA-O 3.23Å
88	S	74.3	Confident	84.3	Confident	61 Å²	61	51.7 Å²	51.7	43%	0.427	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.1	178	57.9	0	0	0	0	113.9	L86 R90	L86-S88 PolarHBondContact O-N 2.84Å; S88-R90 PolarHBondContact O-N 3Å
89	L	87.9	Confident	84.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.278	C	S	.	.			trans	-83.4	53.9	-170.4	-55.2	-167.4	0	0	0	112.9	L64 S65 L71 L86 F91 L92 L113	L64-L89 HydrophobicContact CB-CD1 4.48Å; L64-L89 HydrophobicContact CB-CD2 4.37Å; L64-L89 HydrophobicContact CD1-CD1 4.35Å; S65-L89 WeakPolarHBondContact O-CD2 3.49Å; L71-L89 HydrophobicContact CD2-CD1 4.29Å; L86-L89 HydrophobicContact CB-CD1 4.25Å; L86-L89 HydrophobicContact CB-CG 4.34Å; L86-L89 HydrophobicContact CD2-CD1 3.83Å; L86-L89 HydrophobicContact CG-CD1 4.44Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-L89 VanDerWaalsContact O-N 3.11Å; L89-F91 PolarHBondContact O-N 2.87Å; L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CD1-CD2 4.31Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-L113 HydrophobicContact CB-CD2 3.81Å
90	R	88.9	Confident	84.7	Confident	132 Å²	132	49.9 Å²	49.9	50%	0.498	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.9	-178.1	61.8	178.8	166.1	-174.8	-6.8	115.2	S88 Y114 S115	S88-R90 PolarHBondContact O-N 3Å; R90-Y114 HydrophobicContact CB-CD2 4.23Å; R90-S115 WeakPolarHBondContact O-CB 3.45Å; R90-S115 PolarHBondContact O-OG 2.98Å; R90-S115 VanDerWaalsContact O-OG 3.08Å
91	F	92.1	Very high	85.2	Confident	75 Å²	75	44 Å²	44	33%	0.329	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.2	-179.9	-62.4	-60.9	0	0	0	113.9	L47 V66 F67 T68 L89 E93	L47-F91 HydrophobicContact CD2-CB 3.74Å; L47-F91 HydrophobicContact CD2-CD1 4.46Å; L47-F91 HydrophobicContact CD2-CD2 4.23Å; L47-F91 HydrophobicContact CD2-CG 3.92Å; V66-F91 WeakPolarHBondContact O-CD2 3.18Å; F67-F91 HydrophobicContact CD1-CD2 4.41Å; F67-F91 HydrophobicContact CD1-CE2 4.25Å; F67-F91 HydrophobicContact CE1-CE2 4.43Å; T68-F91 CarbonylContact O-C 3.49Å; L89-F91 PolarHBondContact O-N 2.87Å; F91-E93 WeakPolarHBondContact O-CG 3.45Å; F91-E93 PolarHBondContact O-N 2.64Å
92	L	94.5	Very high	85.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.			trans	-65.3	120.2	-178.6	-168.5	70.3	0	0	0	110.3	T68 L71 L89 E94 L95 L113 S115 L116	T68-L92 HydrophobicContact CG2-CD1 3.89Å; T68-L92 WeakPolarHBondContact O-CA 3.37Å; T68-L92 PolarHBondContact O-N 2.94Å; L71-L92 HydrophobicContact CB-CD1 3.72Å; L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CD1-CD2 4.31Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.49Å; L92-E94 WeakPolarHBondContact CD1-O 3.41Å; L92-L95 HydrophobicContact CD2-CB 3.98Å; L92-L95 HydrophobicContact CD2-CD1 4.34Å; L92-L95 HydrophobicContact CD2-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CG 4.47Å; L92-L113 HydrophobicContact CB-CD2 4.28Å; L92-L113 HydrophobicContact CD2-CD1 4.21Å; L92-L113 HydrophobicContact CD2-CD2 3.87Å; L92-S115 CarbonylContact O-C 3.54Å; L92-L116 HydrophobicContact CD2-CD1 4.38Å; L92-L116 HydrophobicContact CG-CD1 4.34Å; L92-L116 WeakPolarHBondContact O-CA 2.98Å; L92-L116 PolarHBondContact O-N 2.75Å
93	E	96.3	Very high	86.6	Confident	73 Å²	73	41.6 Å²	41.6	34%	0.341	23%	0.227	S	C	.	.			trans	-102.7	-33	178.9	-53.5	-153	144.1	0	0	112.3	S69 F91 K117 V118	S69-E93 PolarHBondContact O-N 3.01Å; F91-E93 WeakPolarHBondContact O-CG 3.45Å; F91-E93 PolarHBondContact O-N 2.64Å; E93-K117 HydrophobicContact CB-CD 4.36Å; E93-K117 VanDerWaalsContact CD-CE 3.45Å; E93-K117 WeakPolarHBondContact O-CA 3.5Å; E93-K117 PolarHBondContact O-N 2.94Å; E93-K117 VanDerWaalsContact OE1-CE 3.25Å; E93-K117 WeakPolarHBondContact OE1-CE 3.4Å; E93-K117 IonicContact OE1-NZ 3.82Å; E93-K117 PolarHBondContact OE1-NZ 2.96Å; E93-K117 WeakPolarHBondContact OE2-CE 3.48Å; E93-K117 IonicContact OE2-NZ 3.39Å; E93-K117 PolarHBondContact OE2-NZ 2.86Å; E93-V118 PolarHBondContact O-N 2.91Å
94	E	98.1	Very high	88.2	Confident	37 Å²	37	44 Å²	44	17%	0.173	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.6	178.7	178.8	170	-170.1	0	0	110.9	S69 Y70 L71 L92 R96 V118 M120	S69-E94 PolarHBondContact O-N 2.58Å; Y70-E94 HydrophobicContact CD2-CB 3.92Å; Y70-E94 HydrophobicContact CD2-CG 3.84Å; Y70-E94 VanDerWaalsContact CD2-OE2 3.28Å; Y70-E94 WeakPolarHBondContact CD2-OE2 3.48Å; Y70-E94 VanDerWaalsContact CE2-CD 3.49Å; Y70-E94 HydrophobicContact CE2-CG 4.01Å; Y70-E94 WeakPolarHBondContact CE2-OE2 3.45Å; L71-E94 PolarHBondContact N-O 2.84Å; L92-E94 WeakPolarHBondContact CD1-O 3.41Å; E94-R96 HydrophobicContact CG-CG 4.27Å; E94-R96 IonicContact OE1-CZ 2.67Å; E94-R96 VanDerWaalsContact OE1-CZ 3.24Å; E94-R96 IonicContact OE1-NE 3.85Å; E94-R96 PolarHBondContact OE1-NE 2.95Å; E94-R96 IonicContact OE1-NH2 3.75Å; E94-R96 PolarHBondContact OE1-NH2 2.78Å; E94-V118 WeakPolarHBondContact CA-O 3.29Å; E94-V118 HydrophobicContact CB-CB 4.11Å; E94-V118 HydrophobicContact CG-CB 3.95Å; E94-V118 HydrophobicContact CG-CG1 4.09Å; E94-M120 WeakPolarHBondContact OE1-CE 3.38Å
95	L	97.1	Very high	89.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.2	174.7	177.1	57.3	0	0	0	109.7	L71 L73 L86 L92 L97 F110 L113 L116 V118 L119 M120	L71-L95 HydrophobicContact CB-CD1 4.11Å; L71-L95 HydrophobicContact CD2-CD1 3.96Å; L71-L95 HydrophobicContact CG-CD1 4.04Å; L73-L95 HydrophobicContact CD1-CD1 4.5Å; L86-L95 HydrophobicContact CD1-CD1 4.38Å; L86-L95 HydrophobicContact CD1-CD2 4.02Å; L92-L95 HydrophobicContact CD2-CB 3.98Å; L92-L95 HydrophobicContact CD2-CD1 4.34Å; L92-L95 HydrophobicContact CD2-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CG 4.47Å; L95-L97 HydrophobicContact CD1-CD1 4.48Å; L95-L97 HydrophobicContact CD1-CG 4.34Å; L95-L97 HydrophobicContact CD2-CD1 4.07Å; L95-L97 HydrophobicContact CG-CD1 4.15Å; L95-L97 HydrophobicContact CG-CG 4.35Å; L95-F110 HydrophobicContact CD2-CD1 4.09Å; L95-F110 HydrophobicContact CD2-CE1 3.92Å; L95-L113 HydrophobicContact CD2-CD1 4.08Å; L95-L116 HydrophobicContact CB-CD1 3.79Å; L95-V118 PolarHBondContact N-O 2.85Å; L95-L119 HydrophobicContact CB-CD1 4.13Å; L95-L119 HydrophobicContact CD2-CD1 4Å; L95-L119 HydrophobicContact CG-CD1 4.08Å; L95-M120 PolarHBondContact O-N 2.85Å
96	R	98.1	Very high	91.3	Very high	69 Å²	69	38.6 Å²	38.6	26%	0.26	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.1	176.4	-56.6	170	171.5	-170.6	5.1	111.5	Y70 L71 D72 L73 S74 E94 M120	Y70-R96 PolarHBondContact OH-NE 2.99Å; Y70-R96 PolarHBondContact OH-NH1 2.81Å; L71-R96 PolarHBondContact O-N 3.05Å; D72-R96 VanDerWaalsContact CG-CD 3.44Å; D72-R96 WeakPolarHBondContact OD1-CB 3.49Å; D72-R96 WeakPolarHBondContact OD2-CD 3.26Å; D72-R96 IonicContact OD2-CZ 3.75Å; D72-R96 IonicContact OD2-NE 2.84Å; D72-R96 IonicContact OD2-NH1 3.24Å; D72-R96 PolarHBondContact OD2-NH1 2.93Å; L73-R96 WeakPolarHBondContact CA-O 3.42Å; L73-R96 WeakPolarHBondContact CB-O 3.43Å; L73-R96 PolarHBondContact N-O 2.93Å; S74-R96 WeakPolarHBondContact OG-CB 3.15Å; E94-R96 HydrophobicContact CG-CG 4.27Å; E94-R96 IonicContact OE1-CZ 2.67Å; E94-R96 VanDerWaalsContact OE1-CZ 3.24Å; E94-R96 IonicContact OE1-NE 3.85Å; E94-R96 PolarHBondContact OE1-NE 2.95Å; E94-R96 IonicContact OE1-NH2 3.75Å; E94-R96 PolarHBondContact OE1-NH2 2.78Å; R96-M120 HydrophobicContact CB-CB 4.21Å; R96-M120 HydrophobicContact CG-CB 4.02Å; R96-M120 HydrophobicContact CG-CG 4.19Å; R96-M120 HydrophobicContact CG-SD 3.97Å
97	L	96.9	Very high	92.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.223	C	C	.	.			trans	-134.9	31.1	-179.6	-73.2	163.1	0	0	0	109.1	L73 I78 L81 L95 L102 F110 M120 L121 N124	L73-L97 HydrophobicContact CB-CD2 3.97Å; L73-L97 HydrophobicContact CD1-CD2 3.83Å; I78-L97 HydrophobicContact CD1-CD2 4.44Å; L81-L97 HydrophobicContact CD1-CD1 4.05Å; L81-L97 HydrophobicContact CD2-CD1 4.39Å; L81-L97 HydrophobicContact CD2-CD2 4.23Å; L95-L97 HydrophobicContact CD1-CD1 4.48Å; L95-L97 HydrophobicContact CD1-CG 4.34Å; L95-L97 HydrophobicContact CD2-CD1 4.07Å; L95-L97 HydrophobicContact CG-CD1 4.15Å; L95-L97 HydrophobicContact CG-CG 4.35Å; L97-L102 HydrophobicContact CB-CD1 4.22Å; L97-F110 HydrophobicContact CD1-CE1 4.28Å; L97-M120 CarbonylContact C-O 3.11Å; L97-M120 PolarHBondContact N-O 2.94Å; L97-L121 HydrophobicContact CB-CD2 3.87Å; L97-L121 HydrophobicContact CD1-CD2 3.97Å; L97-N124 PolarHBondContact O-ND2 3.01Å
98	A	97.6	Very high	93.6	Very high	10 Å²	10	42 Å²	42	8%	0.083	21%	0.206	C	C	.	.			trans	-76.7	153.8	-175.1	0	0	0	0	0	111.6	S74 M75 N100 Q122	S74-A98 CarbonylContact C-O 3.48Å; S74-A98 WeakPolarHBondContact CA-O 3.47Å; M75-A98 PolarHBondContact N-O 3.14Å; A98-N100 PolarHBondContact O-N 2.86Å; A98-N100 PolarHBondContact O-ND2 3.25Å; A98-Q122 CarbonylContact C-O 3.57Å; A98-Q122 WeakPolarHBondContact CA-O 3.04Å; A98-Q122 HydrophobicContact CB-CG 3.99Å; A98-Q122 WeakPolarHBondContact CB-O 3.1Å
99	G	96.9	Very high	94.4	Very high	15 Å²	15	39.1 Å²	39.1	16%	0.155	19%	0.186	C	C	.	.	S	Bend	trans	60.2	46	177	0	0	0	0	0	112.7	M75 N76 Q122 N123	M75-G99 VanDerWaalsContact CA-O 3.28Å; M75-G99 WeakPolarHBondContact CA-O 3.49Å; M75-G99 PolarHBondContact N-O 3.36Å; N76-G99 PolarHBondContact N-O 2.9Å; G99-Q122 PolarHBondContact N-O 3.01Å; G99-N123 CarbonylContact C-O 3.59Å; G99-N123 WeakPolarHBondContact CA-O 3.28Å; G99-N123 PolarHBondContact N-O 2.63Å
100	N	97	Very high	94.6	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.032	19%	0.187	C	C	.	.	S	Bend	trans	-123.6	178.3	-177	-90.4	-94.6	0	0	0	111.3	L73 N76 I78 A98 L102 N123 N124 Q125	L73-N100 PolarHBondContact O-ND2 3.28Å; N76-N100 VanDerWaalsContact C-OD1 3.24Å; N76-N100 WeakPolarHBondContact CB-OD1 3.18Å; N76-N100 WeakPolarHBondContact O-CA 3.29Å; N76-N100 PolarHBondContact O-OD1 2.85Å; I78-N100 WeakPolarHBondContact CB-OD1 3.16Å; I78-N100 VanDerWaalsContact CG1-OD1 3.32Å; I78-N100 WeakPolarHBondContact CG1-OD1 3.29Å; I78-N100 PolarHBondContact N-OD1 2.85Å; I78-N100 VanDerWaalsContact N-OD1 3.11Å; A98-N100 PolarHBondContact O-N 2.86Å; A98-N100 PolarHBondContact O-ND2 3.25Å; N100-L102 VanDerWaalsContact C-N 3.33Å; N100-L102 HydrophobicContact CB-CG 4.27Å; N100-L102 PolarHBondContact O-N 3.22Å; N100-N123 PolarHBondContact N-O 3.41Å; N100-N124 WeakPolarHBondContact CA-OD1 3.2Å; N100-N124 WeakPolarHBondContact CB-OD1 3.33Å; N100-N124 PolarHBondContact O-OD1 2.93Å; N100-N124 VanDerWaalsContact O-OD1 3.06Å; N100-Q125 PolarHBondContact O-NE2 3Å
101	A	96.8	Very high	94.6	Very high	21 Å²	21	36.1 Å²	36.1	17%	0.174	18%	0.182	C	C	.	.			trans	-92.6	22	-177.6	0	0	0	0	0	113.5	I78 S79 T103 Q125	I78-A101 CarbonylContact O-C 3.04Å; I78-A101 WeakPolarHBondContact O-CA 3.39Å; I78-A101 PolarHBondContact O-N 2.78Å; S79-A101 WeakPolarHBondContact CA-O 3.49Å; A101-T103 PolarHBondContact O-N 3.2Å; A101-Q125 PolarHBondContact O-OE1 3.37Å
102	L	96.4	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-73.6	117.8	-170.9	-59	175.3	0	0	0	111.9	I78 L81 L97 N100 L121 N124 Q125 L126	I78-L102 HydrophobicContact CG2-CD2 4.17Å; I78-L102 WeakPolarHBondContact O-CD2 3.43Å; I78-L102 PolarHBondContact O-N 3.14Å; L81-L102 HydrophobicContact CD1-CD1 4.4Å; L81-L102 HydrophobicContact CD2-CD2 4.09Å; L81-L102 HydrophobicContact CG-CD1 4.43Å; L81-L102 HydrophobicContact CG-CD2 3.9Å; L97-L102 HydrophobicContact CB-CD1 4.22Å; N100-L102 VanDerWaalsContact C-N 3.33Å; N100-L102 HydrophobicContact CB-CG 4.27Å; N100-L102 PolarHBondContact O-N 3.22Å; L102-L121 HydrophobicContact CD1-CD2 4.06Å; L102-N124 HydrophobicContact CB-CB 4.26Å; L102-N124 WeakPolarHBondContact CB-OD1 3.14Å; L102-N124 WeakPolarHBondContact CG-OD1 3.32Å; L102-N124 PolarHBondContact N-OD1 2.91Å; L102-N124 VanDerWaalsContact N-OD1 3.12Å; L102-Q125 CarbonylContact O-C 3.21Å; L102-Q125 PolarHBondContact O-N 2.99Å; L102-L126 HydrophobicContact CB-CD2 4.32Å; L102-L126 PolarHBondContact O-N 3.18Å
103	T	95.6	Very high	94.2	Very high	78 Å²	78	33.4 Å²	33.4	48%	0.479	17%	0.173	S	C	.	.	S	Bend	trans	-102	-22.8	175.2	50.9	0	0	0	0	113.4	A101 Q125	A101-T103 PolarHBondContact O-N 3.2Å; T103-Q125 HydrophobicContact CG2-CB 4.18Å
104	Y	94.7	Very high	94	Very high	129 Å²	129	38.2 Å²	38.2	51%	0.506	19%	0.19	S	C	.	.			trans	-153.6	152.1	-179.6	172.9	-105.6	0	0	0	110.6	P106	Y104-P106 HydrophobicContact CE1-CB 4.02Å
105	I	94.9	Very high	93.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	19%	0.194	C	C	.	.			trans	-125.6	120.1	176.7	-60.4	-177.9	0	0	0	108.3	L81 A109 F110 L121 L126 P130 A133	L81-I105 HydrophobicContact CD1-CG1 4.38Å; L81-I105 HydrophobicContact CD1-CG2 4.19Å; I105-A109 HydrophobicContact CG2-CB 3.48Å; I105-A109 VanDerWaalsContact CG2-CB 3.48Å; I105-F110 HydrophobicContact CD1-CE2 4.45Å; I105-F110 HydrophobicContact CD1-CZ 4.22Å; I105-F110 HydrophobicContact CG2-CE2 3.8Å; I105-F110 HydrophobicContact CG2-CZ 3.97Å; I105-L121 HydrophobicContact CD1-CD1 3.61Å; I105-L121 HydrophobicContact CD1-CD2 3.7Å; I105-L121 HydrophobicContact CD1-CG 4.3Å; I105-L126 HydrophobicContact CD1-CD1 4.29Å; I105-L126 HydrophobicContact CD1-CD2 4.35Å; I105-L126 HydrophobicContact CG1-CD2 4.12Å; I105-P130 HydrophobicContact CB-CB 4.14Å; I105-P130 HydrophobicContact CB-CG 3.9Å; I105-P130 HydrophobicContact CD1-CG 3.91Å; I105-P130 HydrophobicContact CG1-CG 4.17Å; I105-A133 HydrophobicContact CB-CB 4.32Å; I105-A133 HydrophobicContact CG2-CB 3.57Å
106	P	92.6	Very high	93.8	Very high	18 Å²	18	38.3 Å²	38.3	12%	0.117	19%	0.194	C	C	.	.			trans	-72.6	154.7	-175.6	31.1	-37.1	0	0	0	113	L81 Y104 G108 A109 A133	L81-P106 VanDerWaalsContact O-CG 3.31Å; L81-P106 WeakPolarHBondContact O-CG 3.45Å; Y104-P106 HydrophobicContact CE1-CB 4.02Å; P106-G108 PolarHBondContact O-N 2.85Å; P106-A109 HydrophobicContact CG-CB 4.16Å; P106-A109 WeakPolarHBondContact O-CB 3.45Å; P106-A109 PolarHBondContact O-N 2.81Å; P106-A133 VanDerWaalsContact O-CB 3.25Å; P106-A133 WeakPolarHBondContact O-CB 3.35Å
107	K	90.3	Very high	93.8	Very high	140 Å²	140	38.4 Å²	38.4	61%	0.609	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	122.7	163	-173.2	-173.1	-163.3	141.9	0	109	E132	K107-E132 HydrophobicContact CB-CB 4.49Å; K107-E132 WeakPolarHBondContact CD-OE2 3.42Å; K107-E132 WeakPolarHBondContact CE-OE2 3.36Å; K107-E132 HydrophobicContact CG-CB 4.28Å; K107-E132 IonicContact NZ-OE2 3Å; K107-E132 PolarHBondContact NZ-OE2 3Å
108	G	88.1	Confident	93.9	Very high	11 Å²	11	39.8 Å²	39.8	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	19.8	-176.1	0	0	0	0	0	115.4	N84 P106 F110 T111	N84-G108 VanDerWaalsContact CA-O 3.29Å; N84-G108 WeakPolarHBondContact CA-O 3.37Å; N84-G108 PolarHBondContact N-O 2.65Å; P106-G108 PolarHBondContact O-N 2.85Å; G108-F110 VanDerWaalsContact C-N 3.26Å; G108-T111 WeakPolarHBondContact CA-OG1 3.23Å; G108-T111 PolarHBondContact O-OG1 3.32Å
109	A	90.7	Very high	93.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.201	C	C	.	.	S	Bend	trans	-63.4	-34.2	165.5	0	0	0	0	0	112.5	L81 P85 I105 P106	L81-A109 HydrophobicContact CD1-CB 4.18Å; P85-A109 VanDerWaalsContact CD-O 3.26Å; P85-A109 WeakPolarHBondContact CD-O 3.43Å; P85-A109 WeakPolarHBondContact CG-O 3.44Å; I105-A109 HydrophobicContact CG2-CB 3.48Å; I105-A109 VanDerWaalsContact CG2-CB 3.48Å; P106-A109 HydrophobicContact CG-CB 4.16Å; P106-A109 WeakPolarHBondContact O-CB 3.45Å; P106-A109 PolarHBondContact O-N 2.81Å
110	F	92.4	Very high	94	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.201	C	C	.	.	S	Bend	trans	-116.6	12.1	-171.6	-52	-49.9	0	0	0	113.8	L81 L95 L97 I105 G108 L113 L119 L121 A133 L134 L137	L81-F110 HydrophobicContact CD1-CE1 4.27Å; L81-F110 HydrophobicContact CD1-CZ 4.3Å; L95-F110 HydrophobicContact CD2-CD1 4.09Å; L95-F110 HydrophobicContact CD2-CE1 3.92Å; L97-F110 HydrophobicContact CD1-CE1 4.28Å; I105-F110 HydrophobicContact CD1-CE2 4.45Å; I105-F110 HydrophobicContact CD1-CZ 4.22Å; I105-F110 HydrophobicContact CG2-CE2 3.8Å; I105-F110 HydrophobicContact CG2-CZ 3.97Å; G108-F110 VanDerWaalsContact C-N 3.26Å; F110-L113 HydrophobicContact CB-CD1 4.04Å; F110-L113 HydrophobicContact CD1-CD1 4.01Å; F110-L113 HydrophobicContact CG-CD1 4.48Å; F110-L113 WeakPolarHBondContact O-CB 3.18Å; F110-L113 PolarHBondContact O-N 3.04Å; F110-L119 HydrophobicContact CD2-CD2 4.11Å; F110-L119 HydrophobicContact CE1-CD1 4.11Å; F110-L119 HydrophobicContact CE1-CD2 4.41Å; F110-L119 HydrophobicContact CE2-CD2 3.71Å; F110-L119 HydrophobicContact CZ-CD1 4.1Å; F110-L119 HydrophobicContact CZ-CD2 3.88Å; F110-L121 HydrophobicContact CZ-CD1 4.41Å; F110-A133 WeakPolarHBondContact CD2-O 3.31Å; F110-L134 HydrophobicContact CD2-CD2 4.24Å; F110-L134 HydrophobicContact CE2-CD2 3.95Å; F110-L137 HydrophobicContact CB-CD1 4.22Å; F110-L137 HydrophobicContact CB-CD2 3.83Å; F110-L137 HydrophobicContact CD2-CD1 4.16Å; F110-L137 HydrophobicContact CG-CD1 4.49Å
111	T	88.6	Confident	94.1	Very high	67 Å²	67	39.7 Å²	39.7	41%	0.411	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	133.6	174	25.3	0	0	0	0	110.8	N84 P87 G108	N84-T111 PolarHBondContact OD1-OG1 3.05Å; P87-T111 WeakPolarHBondContact CA-O 3.23Å; G108-T111 WeakPolarHBondContact CA-OG1 3.23Å; G108-T111 PolarHBondContact O-OG1 3.32Å
112	G	87.1	Confident	94.1	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-13.5	-177.1	0	0	0	0	0	115.1	Y114	G112-Y114 WeakPolarHBondContact O-CD2 3.38Å; G112-Y114 PolarHBondContact O-N 3.01Å
113	L	92.5	Very high	94.2	Very high	7 Å²	7	44 Å²	44	4%	0.037	22%	0.218	C	C	.	.			trans	-81.1	58.2	-179.8	-55	-175.9	0	0	0	112.3	L86 L89 L92 L95 F110 S115 L116	L86-L113 HydrophobicContact CB-CD2 3.93Å; L86-L113 HydrophobicContact CD1-CD1 4.44Å; L89-L113 HydrophobicContact CB-CD2 3.81Å; L92-L113 HydrophobicContact CB-CD2 4.28Å; L92-L113 HydrophobicContact CD2-CD1 4.21Å; L92-L113 HydrophobicContact CD2-CD2 3.87Å; L95-L113 HydrophobicContact CD2-CD1 4.08Å; F110-L113 HydrophobicContact CB-CD1 4.04Å; F110-L113 HydrophobicContact CD1-CD1 4.01Å; F110-L113 HydrophobicContact CG-CD1 4.48Å; F110-L113 WeakPolarHBondContact O-CB 3.18Å; F110-L113 PolarHBondContact O-N 3.04Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.09Å; L113-L116 HydrophobicContact CB-CB 4.07Å; L113-L116 HydrophobicContact CB-CD2 4.37Å; L113-L116 HydrophobicContact CD1-CD2 4.15Å; L113-L116 WeakPolarHBondContact O-CB 3.24Å; L113-L116 PolarHBondContact O-N 3.43Å
114	Y	91.3	Very high	94.3	Very high	174 Å²	174	40.3 Å²	40.3	68%	0.682	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.6	-170.3	-58	-68.1	0	0	0	114.7	R90 G112 S139	R90-Y114 HydrophobicContact CB-CD2 4.23Å; G112-Y114 WeakPolarHBondContact O-CD2 3.38Å; G112-Y114 PolarHBondContact O-N 3.01Å; Y114-S139 WeakPolarHBondContact O-CB 3.41Å; Y114-S139 PolarHBondContact O-OG 2.81Å
115	S	95.1	Very high	94.5	Very high	38 Å²	38	37.1 Å²	37.1	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0	178.4	-70.3	0	0	0	0	114.7	R90 L92 L113 K117	R90-S115 WeakPolarHBondContact O-CB 3.45Å; R90-S115 PolarHBondContact O-OG 2.98Å; R90-S115 VanDerWaalsContact O-OG 3.08Å; L92-S115 CarbonylContact O-C 3.54Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.09Å; S115-K117 PolarHBondContact O-N 2.95Å; S115-K117 VanDerWaalsContact O-N 3.14Å
116	L	96.9	Very high	94.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.185	C	C	.	.			trans	-64.1	116.1	-169.8	-169.1	70.3	0	0	0	111.6	L92 L95 L113 V118 L119 S139 L140	L92-L116 HydrophobicContact CD2-CD1 4.38Å; L92-L116 HydrophobicContact CG-CD1 4.34Å; L92-L116 WeakPolarHBondContact O-CA 2.98Å; L92-L116 PolarHBondContact O-N 2.75Å; L95-L116 HydrophobicContact CB-CD1 3.79Å; L113-L116 HydrophobicContact CB-CB 4.07Å; L113-L116 HydrophobicContact CB-CD2 4.37Å; L113-L116 HydrophobicContact CD1-CD2 4.15Å; L113-L116 WeakPolarHBondContact O-CB 3.24Å; L113-L116 PolarHBondContact O-N 3.43Å; L116-V118 WeakPolarHBondContact CD1-O 3.5Å; L116-L119 HydrophobicContact CD2-CB 4.31Å; L116-S139 CarbonylContact O-C 3.35Å; L116-S139 WeakPolarHBondContact O-CB 3.39Å; L116-L140 HydrophobicContact CD2-CD1 4.24Å; L116-L140 HydrophobicContact CG-CD1 4.14Å; L116-L140 WeakPolarHBondContact O-CA 3.27Å; L116-L140 PolarHBondContact O-N 3.3Å
117	K	97.9	Very high	94.8	Very high	71 Å²	71	45 Å²	45	31%	0.309	21%	0.213	S	C	.	.			trans	-102	-34.8	177.9	-62.1	172	-165.8	165.8	0	112	E93 S115 Q141 S142	E93-K117 HydrophobicContact CB-CD 4.36Å; E93-K117 VanDerWaalsContact CD-CE 3.45Å; E93-K117 WeakPolarHBondContact O-CA 3.5Å; E93-K117 PolarHBondContact O-N 2.94Å; E93-K117 VanDerWaalsContact OE1-CE 3.25Å; E93-K117 WeakPolarHBondContact OE1-CE 3.4Å; E93-K117 IonicContact OE1-NZ 3.82Å; E93-K117 PolarHBondContact OE1-NZ 2.96Å; E93-K117 WeakPolarHBondContact OE2-CE 3.48Å; E93-K117 IonicContact OE2-NZ 3.39Å; E93-K117 PolarHBondContact OE2-NZ 2.86Å; S115-K117 PolarHBondContact O-N 2.95Å; S115-K117 VanDerWaalsContact O-N 3.14Å; K117-Q141 PolarHBondContact O-N 2.86Å; K117-S142 PolarHBondContact O-N 3.21Å
118	V	98.7	Very high	95.2	Very high	31 Å²	31	42.1 Å²	42.1	19%	0.188	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.9	-174.8	-174.4	0	0	0	0	110.2	E93 E94 L95 L116 M120 S142	E93-V118 PolarHBondContact O-N 2.91Å; E94-V118 WeakPolarHBondContact CA-O 3.29Å; E94-V118 HydrophobicContact CB-CB 4.11Å; E94-V118 HydrophobicContact CG-CB 3.95Å; E94-V118 HydrophobicContact CG-CG1 4.09Å; L95-V118 PolarHBondContact N-O 2.85Å; L116-V118 WeakPolarHBondContact CD1-O 3.5Å; V118-M120 HydrophobicContact CG1-CE 3.85Å; V118-M120 HydrophobicContact CG1-CG 4.22Å; V118-S142 WeakPolarHBondContact CA-O 3.46Å
119	L	98.4	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.2	173.7	179.3	57.2	0	0	0	109.8	L95 F110 L116 L121 L134 L137 L140 S142 L143 R144	L95-L119 HydrophobicContact CB-CD1 4.13Å; L95-L119 HydrophobicContact CD2-CD1 4Å; L95-L119 HydrophobicContact CG-CD1 4.08Å; F110-L119 HydrophobicContact CD2-CD2 4.11Å; F110-L119 HydrophobicContact CE1-CD1 4.11Å; F110-L119 HydrophobicContact CE1-CD2 4.41Å; F110-L119 HydrophobicContact CE2-CD2 3.71Å; F110-L119 HydrophobicContact CZ-CD1 4.1Å; F110-L119 HydrophobicContact CZ-CD2 3.88Å; L116-L119 HydrophobicContact CD2-CB 4.31Å; L119-L121 HydrophobicContact CD1-CD1 4.45Å; L119-L121 HydrophobicContact CD1-CG 4.26Å; L119-L121 HydrophobicContact CD2-CD1 4.01Å; L119-L121 HydrophobicContact CG-CD1 4.04Å; L119-L121 HydrophobicContact CG-CG 4.18Å; L119-L134 HydrophobicContact CD2-CD2 3.62Å; L119-L137 HydrophobicContact CD2-CD1 4.46Å; L119-L140 HydrophobicContact CB-CD1 3.75Å; L119-S142 PolarHBondContact N-O 3.01Å; L119-L143 HydrophobicContact CB-CD1 4.17Å; L119-L143 HydrophobicContact CD2-CD1 4.02Å; L119-L143 HydrophobicContact CG-CD1 4.14Å; L119-R144 PolarHBondContact O-N 3.3Å
120	M	98.6	Very high	96	Very high	30 Å²	30	41.7 Å²	41.7	15%	0.148	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.7	-179.6	-69.3	-163.6	-156.3	0	0	111.5	E94 L95 R96 L97 V118 R144	E94-M120 WeakPolarHBondContact OE1-CE 3.38Å; L95-M120 PolarHBondContact O-N 2.85Å; R96-M120 HydrophobicContact CB-CB 4.21Å; R96-M120 HydrophobicContact CG-CB 4.02Å; R96-M120 HydrophobicContact CG-CG 4.19Å; R96-M120 HydrophobicContact CG-SD 3.97Å; L97-M120 CarbonylContact C-O 3.11Å; L97-M120 PolarHBondContact N-O 2.94Å; V118-M120 HydrophobicContact CG1-CE 3.85Å; V118-M120 HydrophobicContact CG1-CG 4.22Å; M120-R144 HydrophobicContact CG-CB 4.39Å
121	L	98.2	Very high	96.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.			trans	-126	14.4	-179.1	-67.6	165.5	0	0	0	112.3	L97 L102 I105 F110 L119 N124 L126 R144 L145 N148	L97-L121 HydrophobicContact CB-CD2 3.87Å; L97-L121 HydrophobicContact CD1-CD2 3.97Å; L102-L121 HydrophobicContact CD1-CD2 4.06Å; I105-L121 HydrophobicContact CD1-CD1 3.61Å; I105-L121 HydrophobicContact CD1-CD2 3.7Å; I105-L121 HydrophobicContact CD1-CG 4.3Å; F110-L121 HydrophobicContact CZ-CD1 4.41Å; L119-L121 HydrophobicContact CD1-CD1 4.45Å; L119-L121 HydrophobicContact CD1-CG 4.26Å; L119-L121 HydrophobicContact CD2-CD1 4.01Å; L119-L121 HydrophobicContact CG-CD1 4.04Å; L119-L121 HydrophobicContact CG-CG 4.18Å; L121-N124 PolarHBondContact O-ND2 2.97Å; L121-L126 HydrophobicContact CB-CD1 4.46Å; L121-R144 WeakPolarHBondContact CA-O 3.46Å; L121-R144 WeakPolarHBondContact CB-O 3.46Å; L121-R144 PolarHBondContact N-O 3.33Å; L121-L145 HydrophobicContact CB-CD2 4.02Å; L121-L145 HydrophobicContact CD1-CD2 3.88Å; L121-N148 PolarHBondContact O-ND2 2.86Å
122	Q	97.9	Very high	96.4	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.107	21%	0.213	C	C	.	.			trans	-68.4	157.7	-178.3	70.4	-81.5	7.3	0	0	113.8	A98 G99 N124 R144 D146	A98-Q122 CarbonylContact C-O 3.57Å; A98-Q122 WeakPolarHBondContact CA-O 3.04Å; A98-Q122 HydrophobicContact CB-CG 3.99Å; A98-Q122 WeakPolarHBondContact CB-O 3.1Å; G99-Q122 PolarHBondContact N-O 3.01Å; Q122-N124 PolarHBondContact O-ND2 3.19Å; Q122-R144 VanDerWaalsContact OE1-CB 3.26Å; Q122-D146 WeakPolarHBondContact CA-O 3.25Å; Q122-D146 HydrophobicContact CB-CB 4.42Å; Q122-D146 VanDerWaalsContact CB-CG 3.43Å; Q122-D146 VanDerWaalsContact CB-O 3.22Å; Q122-D146 WeakPolarHBondContact CB-O 3.44Å; Q122-D146 WeakPolarHBondContact CB-OD2 3.28Å
123	N	97.9	Very high	96.7	Very high	87 Å²	87	45 Å²	45	47%	0.465	21%	0.21	S	C	.	.	S	Bend	trans	54.6	55.9	-175	-167.9	20	0	0	0	111.9	G99 N100 D146 A147	G99-N123 CarbonylContact C-O 3.59Å; G99-N123 WeakPolarHBondContact CA-O 3.28Å; G99-N123 PolarHBondContact N-O 2.63Å; N100-N123 PolarHBondContact N-O 3.41Å; N123-D146 PolarHBondContact N-O 2.97Å; N123-A147 WeakPolarHBondContact CA-O 3.41Å; N123-A147 HydrophobicContact CB-CB 4.47Å; N123-A147 PolarHBondContact N-O 2.96Å
124	N	98.1	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.011	21%	0.209	C	C	.	.	S	Bend	trans	-129.2	-177.8	172.2	-81.7	-84.4	0	0	0	108.7	L97 N100 L102 L121 Q122 L126 A147 N148	L97-N124 PolarHBondContact O-ND2 3.01Å; N100-N124 WeakPolarHBondContact CA-OD1 3.2Å; N100-N124 WeakPolarHBondContact CB-OD1 3.33Å; N100-N124 PolarHBondContact O-OD1 2.93Å; N100-N124 VanDerWaalsContact O-OD1 3.06Å; L102-N124 HydrophobicContact CB-CB 4.26Å; L102-N124 WeakPolarHBondContact CB-OD1 3.14Å; L102-N124 WeakPolarHBondContact CG-OD1 3.32Å; L102-N124 PolarHBondContact N-OD1 2.91Å; L102-N124 VanDerWaalsContact N-OD1 3.12Å; L121-N124 PolarHBondContact O-ND2 2.97Å; Q122-N124 PolarHBondContact O-ND2 3.19Å; N124-L126 HydrophobicContact CB-CG 4.3Å; N124-A147 PolarHBondContact N-O 3.28Å; N124-N148 WeakPolarHBondContact CB-OD1 3.2Å; N124-N148 PolarHBondContact O-OD1 3.05Å; N124-N148 VanDerWaalsContact O-OD1 3.09Å
125	Q	97.7	Very high	97.2	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	19%	0.189	S	C	.	.			trans	-112	33.4	-178.8	-48.8	79	42.7	0	0	111.8	N100 A101 L102 T103 R127	N100-Q125 PolarHBondContact O-NE2 3Å; A101-Q125 PolarHBondContact O-OE1 3.37Å; L102-Q125 CarbonylContact O-C 3.21Å; L102-Q125 PolarHBondContact O-N 2.99Å; T103-Q125 HydrophobicContact CG2-CB 4.18Å; Q125-R127 PolarHBondContact O-N 3.43Å
126	L	97.9	Very high	97.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.199	C	C	.	.			trans	-64	123.6	175.9	-57.5	175.5	0	0	0	109.1	L102 I105 L121 N124 L145 N148 H149 I150	L102-L126 HydrophobicContact CB-CD2 4.32Å; L102-L126 PolarHBondContact O-N 3.18Å; I105-L126 HydrophobicContact CD1-CD1 4.29Å; I105-L126 HydrophobicContact CD1-CD2 4.35Å; I105-L126 HydrophobicContact CG1-CD2 4.12Å; L121-L126 HydrophobicContact CB-CD1 4.46Å; N124-L126 HydrophobicContact CB-CG 4.3Å; L126-L145 HydrophobicContact CD1-CD2 3.94Å; L126-N148 VanDerWaalsContact CB-OD1 3.23Å; L126-N148 WeakPolarHBondContact CB-OD1 3.47Å; L126-N148 WeakPolarHBondContact CG-OD1 3.47Å; L126-N148 PolarHBondContact N-OD1 2.91Å; L126-N148 VanDerWaalsContact N-OD1 3.08Å; L126-H149 CarbonylContact O-C 3.56Å; L126-H149 WeakPolarHBondContact O-CA 3.21Å; L126-H149 PolarHBondContact O-N 2.9Å; L126-I150 HydrophobicContact CB-CG1 4.24Å; L126-I150 WeakPolarHBondContact O-CG1 3.06Å; L126-I150 PolarHBondContact O-N 3.12Å; L126-I150 VanDerWaalsContact O-N 3.11Å
127	R	97.6	Very high	97.1	Very high	185 Å²	185	42.3 Å²	42.3	70%	0.698	20%	0.203	S	C	*	.	S	Bend	trans	-91.5	-12.9	179.6	-61.1	-175.1	-176.6	-172.8	-0	114.1	Q125 H149 I150 S151	Q125-R127 PolarHBondContact O-N 3.43Å; R127-H149 WeakPolarHBondContact CA-O 3.14Å; R127-H149 HydrophobicContact CG-CB 4.47Å; R127-I150 WeakPolarHBondContact O-CA 3.22Å; R127-S151 PolarHBondContact O-N 3.4Å; R127-S151 VanDerWaalsContact O-N 3.11Å
128	Q	97.8	Very high	96.9	Very high	79 Å²	79	47.1 Å²	47.1	37%	0.369	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-152.9	156.1	176.6	63.1	-177.4	-3.4	0	0	109.5	Y152	Q128-Y152 WeakPolarHBondContact CA-O 3.38Å; Q128-Y152 HydrophobicContact CB-CD1 4.4Å; Q128-Y152 WeakPolarHBondContact CB-O 3.37Å
129	V	98.1	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.			trans	-64.2	134.5	171.2	179.9	0	0	0	0	109.2	T131 L134 L145 I150 Y152 V153 P154 C157 F158 L169	V129-T131 PolarHBondContact O-N 3.11Å; V129-T131 VanDerWaalsContact O-N 3.08Å; V129-L134 HydrophobicContact CG1-CD1 3.76Å; V129-L145 HydrophobicContact CG1-CD1 4.12Å; V129-L145 HydrophobicContact CG2-CD1 4.23Å; V129-I150 HydrophobicContact CG2-CD1 4.12Å; V129-I150 HydrophobicContact CG2-CG2 3.91Å; V129-Y152 PolarHBondContact N-O 3.46Å; V129-V153 HydrophobicContact CB-CG1 4.26Å; V129-V153 HydrophobicContact CG2-CB 4.26Å; V129-V153 HydrophobicContact CG2-CG1 3.99Å; V129-V153 HydrophobicContact CG2-CG2 3.84Å; V129-P154 VanDerWaalsContact O-CD 3.28Å; V129-P154 WeakPolarHBondContact O-CD 3.21Å; V129-P154 WeakPolarHBondContact O-CG 3.32Å; V129-C157 HydrophobicContact CG1-CB 3.93Å; V129-C157 VanDerWaalsContact CG1-SG 3.56Å; V129-F158 HydrophobicContact CG1-CE1 3.77Å; V129-F158 HydrophobicContact CG1-CZ 3.94Å; V129-F158 HydrophobicContact CG2-CZ 4.38Å; V129-L169 HydrophobicContact CG2-CD2 4.15Å
130	P	96.7	Very high	96.9	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.026	22%	0.224	C	C	.	.			trans	-55.3	114.7	-177.8	-26.6	32.5	0	0	0	113.3	I105 E132 A133 L134 C157	I105-P130 HydrophobicContact CB-CB 4.14Å; I105-P130 HydrophobicContact CB-CG 3.9Å; I105-P130 HydrophobicContact CD1-CG 3.91Å; I105-P130 HydrophobicContact CG1-CG 4.17Å; P130-E132 VanDerWaalsContact C-N 3.27Å; P130-E132 PolarHBondContact O-N 3.14Å; P130-E132 VanDerWaalsContact O-N 3.12Å; P130-A133 HydrophobicContact CB-CB 3.84Å; P130-L134 HydrophobicContact CB-CD1 4.4Å; P130-L134 HydrophobicContact CB-CG 4.33Å; P130-L134 HydrophobicContact CG-CD1 4.2Å; P130-L134 HydrophobicContact CG-CG 4.41Å; P130-C157 WeakPolarHBondContact O-CB 3.32Å
131	T	94.4	Very high	96.9	Very high	59 Å²	59	49.1 Å²	49.1	36%	0.362	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.9	-170	-43.3	0	0	0	0	114.2	V129 Q135 P154 C157	V129-T131 PolarHBondContact O-N 3.11Å; V129-T131 VanDerWaalsContact O-N 3.08Å; T131-Q135 PolarHBondContact O-NE2 3.42Å; T131-P154 HydrophobicContact CG2-CB 3.93Å; T131-P154 HydrophobicContact CG2-CG 4.17Å; T131-C157 WeakPolarHBondContact O-CA 3.2Å
132	E	94.8	Very high	96.9	Very high	84 Å²	84	49.8 Å²	49.8	39%	0.393	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-18.8	-174.6	-59.5	-171.4	-179.7	0	0	114.6	K107 P130 L134 Q135	K107-E132 HydrophobicContact CB-CB 4.49Å; K107-E132 WeakPolarHBondContact CD-OE2 3.42Å; K107-E132 WeakPolarHBondContact CE-OE2 3.36Å; K107-E132 HydrophobicContact CG-CB 4.28Å; K107-E132 IonicContact NZ-OE2 3Å; K107-E132 PolarHBondContact NZ-OE2 3Å; P130-E132 VanDerWaalsContact C-N 3.27Å; P130-E132 PolarHBondContact O-N 3.14Å; P130-E132 VanDerWaalsContact O-N 3.12Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.87Å; E132-Q135 PolarHBondContact O-N 3.12Å
133	A	95.3	Very high	96.9	Very high	7 Å²	7	48.7 Å²	48.7	6%	0.058	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.5	-171.5	0	0	0	0	0	114	I105 P106 F110 P130	I105-A133 HydrophobicContact CB-CB 4.32Å; I105-A133 HydrophobicContact CG2-CB 3.57Å; P106-A133 VanDerWaalsContact O-CB 3.25Å; P106-A133 WeakPolarHBondContact O-CB 3.35Å; F110-A133 WeakPolarHBondContact CD2-O 3.31Å; P130-A133 HydrophobicContact CB-CB 3.84Å
134	L	96.6	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.1	-179.7	-63.7	170.5	0	0	0	113.2	F110 L119 V129 P130 E132 L137 L143 L145 F158 L161	F110-L134 HydrophobicContact CD2-CD2 4.24Å; F110-L134 HydrophobicContact CE2-CD2 3.95Å; L119-L134 HydrophobicContact CD2-CD2 3.62Å; V129-L134 HydrophobicContact CG1-CD1 3.76Å; P130-L134 HydrophobicContact CB-CD1 4.4Å; P130-L134 HydrophobicContact CB-CG 4.33Å; P130-L134 HydrophobicContact CG-CD1 4.2Å; P130-L134 HydrophobicContact CG-CG 4.41Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.87Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L143 HydrophobicContact CD1-CD2 4.06Å; L134-L143 HydrophobicContact CD2-CD1 4.12Å; L134-L143 HydrophobicContact CD2-CD2 4.48Å; L134-L145 HydrophobicContact CD1-CD1 4.32Å; L134-F158 HydrophobicContact CD1-CE1 4.45Å; L134-L161 VanDerWaalsContact O-CD2 3.27Å; L134-L161 WeakPolarHBondContact O-CD2 3.48Å
135	Q	95.8	Very high	97	Very high	58 Å²	58	48.1 Å²	48.1	27%	0.271	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	143.4	-175.2	-63.8	-178.4	17.6	0	0	111.5	T131 E132 L137 S156 S159	T131-Q135 PolarHBondContact O-NE2 3.42Å; E132-Q135 PolarHBondContact O-N 3.12Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.06Å; Q135-S156 PolarHBondContact NE2-O 2.85Å; Q135-S159 CarbonylContact C-O 3.52Å; Q135-S159 VanDerWaalsContact CA-O 3.28Å; Q135-S159 WeakPolarHBondContact CA-O 3.3Å
136	N	95.2	Very high	97	Very high	89 Å²	89	45.5 Å²	45.5	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	20.5	176.4	-57.8	-86.5	0	0	0	116.2	R138 S159	N136-R138 WeakPolarHBondContact O-CG 3.5Å; N136-R138 PolarHBondContact O-N 3.02Å; N136-S159 PolarHBondContact N-O 3.04Å
137	L	95.8	Very high	97	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	22%	0.221	C	C	.	.			trans	-74	73	167.6	-59	174.6	0	0	0	110.1	F110 L119 L134 Q135 S139 L140 L161	F110-L137 HydrophobicContact CB-CD1 4.22Å; F110-L137 HydrophobicContact CB-CD2 3.83Å; F110-L137 HydrophobicContact CD2-CD1 4.16Å; F110-L137 HydrophobicContact CG-CD1 4.49Å; L119-L137 HydrophobicContact CD2-CD1 4.46Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.06Å; L137-S139 PolarHBondContact O-N 2.8Å; L137-S139 VanDerWaalsContact O-N 3.1Å; L137-L140 HydrophobicContact CB-CB 3.96Å; L137-L140 HydrophobicContact CB-CD2 4.32Å; L137-L140 HydrophobicContact CD1-CD2 4.15Å; L137-L140 VanDerWaalsContact O-CB 3.24Å; L137-L140 WeakPolarHBondContact O-CB 3.37Å; L137-L140 PolarHBondContact O-N 2.89Å; L137-L161 HydrophobicContact CB-CD2 3.67Å
138	R	94.4	Very high	97.1	Very high	171 Å²	171	38.3 Å²	38.3	65%	0.645	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	-166.4	-64.5	-179.8	-174.3	175.2	1	115	N136 S163	N136-R138 WeakPolarHBondContact O-CG 3.5Å; N136-R138 PolarHBondContact O-N 3.02Å; R138-S163 VanDerWaalsContact O-CB 3.23Å; R138-S163 WeakPolarHBondContact O-CB 3.42Å; R138-S163 PolarHBondContact O-OG 3.13Å
139	S	97	Very high	97.1	Very high	43 Å²	43	39.7 Å²	39.7	30%	0.301	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.5	-178.6	-57.7	0	0	0	0	113.7	Y114 L116 L137 Q141	Y114-S139 WeakPolarHBondContact O-CB 3.41Å; Y114-S139 PolarHBondContact O-OG 2.81Å; L116-S139 CarbonylContact O-C 3.35Å; L116-S139 WeakPolarHBondContact O-CB 3.39Å; L137-S139 PolarHBondContact O-N 2.8Å; L137-S139 VanDerWaalsContact O-N 3.1Å; S139-Q141 WeakPolarHBondContact O-CG 3.26Å; S139-Q141 PolarHBondContact O-N 3.33Å
140	L	98.4	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.			trans	-69.8	123.5	-171.8	-169.5	72.3	0	0	0	110.3	L116 L119 L137 L143 L161 S163 L164	L116-L140 HydrophobicContact CD2-CD1 4.24Å; L116-L140 HydrophobicContact CG-CD1 4.14Å; L116-L140 WeakPolarHBondContact O-CA 3.27Å; L116-L140 PolarHBondContact O-N 3.3Å; L119-L140 HydrophobicContact CB-CD1 3.75Å; L137-L140 HydrophobicContact CB-CB 3.96Å; L137-L140 HydrophobicContact CB-CD2 4.32Å; L137-L140 HydrophobicContact CD1-CD2 4.15Å; L137-L140 VanDerWaalsContact O-CB 3.24Å; L137-L140 WeakPolarHBondContact O-CB 3.37Å; L137-L140 PolarHBondContact O-N 2.89Å; L140-L143 HydrophobicContact CD2-CB 4.15Å; L140-L143 HydrophobicContact CD2-CD1 4.44Å; L140-L143 HydrophobicContact CD2-CD2 4.39Å; L140-L161 HydrophobicContact CB-CD2 4.26Å; L140-L161 HydrophobicContact CD2-CD2 3.97Å; L140-S163 CarbonylContact O-C 3.57Å; L140-S163 WeakPolarHBondContact O-CB 3.39Å; L140-L164 HydrophobicContact CD2-CD1 4.2Å; L140-L164 HydrophobicContact CG-CD1 4.12Å; L140-L164 VanDerWaalsContact O-CA 3.23Å; L140-L164 WeakPolarHBondContact O-CA 3.34Å; L140-L164 PolarHBondContact O-N 2.92Å
141	Q	98.4	Very high	97.2	Very high	60 Å²	60	42.6 Å²	42.6	28%	0.28	22%	0.216	S	C	.	.			trans	-110.3	-25.4	-178.9	-60.8	180	32.3	0	0	112.2	K117 S139 S163 R165 H166	K117-Q141 PolarHBondContact O-N 2.86Å; S139-Q141 WeakPolarHBondContact O-CG 3.26Å; S139-Q141 PolarHBondContact O-N 3.33Å; Q141-S163 WeakPolarHBondContact CA-O 3.24Å; Q141-R165 PolarHBondContact O-N 3.14Å; Q141-H166 PolarHBondContact O-N 2.72Å
142	S	98.7	Very high	97.3	Very high	15 Å²	15	45.3 Å²	45.3	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	115.1	-167.2	-173	0	0	0	0	109.6	K117 V118 L119 W168	K117-S142 PolarHBondContact O-N 3.21Å; V118-S142 WeakPolarHBondContact CA-O 3.46Å; L119-S142 PolarHBondContact N-O 3.01Å; S142-W168 WeakPolarHBondContact OG-CH2 3.2Å; S142-W168 WeakPolarHBondContact OG-CZ3 3.24Å
143	L	98.8	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	108.2	-176.9	175.6	57.9	0	0	0	111	L119 L134 L140 L145 F158 L161 L164 H166 L167 W168	L119-L143 HydrophobicContact CB-CD1 4.17Å; L119-L143 HydrophobicContact CD2-CD1 4.02Å; L119-L143 HydrophobicContact CG-CD1 4.14Å; L134-L143 HydrophobicContact CD1-CD2 4.06Å; L134-L143 HydrophobicContact CD2-CD1 4.12Å; L134-L143 HydrophobicContact CD2-CD2 4.48Å; L140-L143 HydrophobicContact CD2-CB 4.15Å; L140-L143 HydrophobicContact CD2-CD1 4.44Å; L140-L143 HydrophobicContact CD2-CD2 4.39Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å; L143-L145 HydrophobicContact CD1-CG 4.15Å; L143-L145 HydrophobicContact CD2-CD1 3.97Å; L143-L145 HydrophobicContact CG-CD1 3.98Å; L143-L145 HydrophobicContact CG-CG 4.2Å; L143-F158 HydrophobicContact CD2-CD1 4.34Å; L143-F158 HydrophobicContact CD2-CE1 3.93Å; L143-L161 HydrophobicContact CD2-CD1 4.42Å; L143-L164 HydrophobicContact CB-CD1 3.75Å; L143-H166 PolarHBondContact N-O 2.8Å; L143-L167 HydrophobicContact CB-CD1 4.3Å; L143-L167 HydrophobicContact CD2-CD1 4.07Å; L143-L167 HydrophobicContact CG-CD1 4.14Å; L143-W168 PolarHBondContact O-N 3.12Å; L143-W168 VanDerWaalsContact O-N 3.12Å
144	R	98.8	Very high	97.6	Very high	76 Å²	76	41.8 Å²	41.8	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.3	175.4	-76.5	-171	74.9	163.5	5.2	111.7	L119 M120 L121 Q122 D146 W168	L119-R144 PolarHBondContact O-N 3.3Å; M120-R144 HydrophobicContact CG-CB 4.39Å; L121-R144 WeakPolarHBondContact CA-O 3.46Å; L121-R144 WeakPolarHBondContact CB-O 3.46Å; L121-R144 PolarHBondContact N-O 3.33Å; Q122-R144 VanDerWaalsContact OE1-CB 3.26Å; R144-D146 WeakPolarHBondContact CB-OD1 3.42Å; R144-D146 WeakPolarHBondContact CG-OD1 3.09Å; R144-D146 IonicContact CZ-OD1 3.76Å; R144-D146 IonicContact CZ-OD2 2.75Å; R144-D146 IonicContact NE-OD1 2.67Å; R144-D146 PolarHBondContact NE-OD1 3.06Å; R144-D146 IonicContact NE-OD2 3.76Å; R144-D146 PolarHBondContact NE-OD2 2.67Å; R144-D146 IonicContact NH2-OD1 3.39Å; R144-D146 IonicContact NH2-OD2 2.63Å; R144-D146 PolarHBondContact NH2-OD2 3.32Å; R144-W168 HydrophobicContact CB-CE3 4.39Å; R144-W168 HydrophobicContact CG-CB 4.18Å; R144-W168 HydrophobicContact CG-CD2 3.67Å; R144-W168 HydrophobicContact CG-CE3 3.37Å; R144-W168 HydrophobicContact CG-CG 4.04Å; R144-W168 HydrophobicContact CG-CZ3 3.88Å
145	L	98.6	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.			trans	-129.6	16.5	175.4	-70.8	164.3	0	0	0	111	L121 L126 V129 L134 L143 I150 F158 W168 L169 N172	L121-L145 HydrophobicContact CB-CD2 4.02Å; L121-L145 HydrophobicContact CD1-CD2 3.88Å; L126-L145 HydrophobicContact CD1-CD2 3.94Å; V129-L145 HydrophobicContact CG1-CD1 4.12Å; V129-L145 HydrophobicContact CG2-CD1 4.23Å; L134-L145 HydrophobicContact CD1-CD1 4.32Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å; L143-L145 HydrophobicContact CD1-CG 4.15Å; L143-L145 HydrophobicContact CD2-CD1 3.97Å; L143-L145 HydrophobicContact CG-CD1 3.98Å; L143-L145 HydrophobicContact CG-CG 4.2Å; L145-I150 HydrophobicContact CB-CD1 3.98Å; L145-I150 HydrophobicContact CD2-CD1 4.45Å; L145-F158 HydrophobicContact CD1-CE1 4.47Å; L145-W168 CarbonylContact C-O 3.53Å; L145-W168 WeakPolarHBondContact CA-O 3.41Å; L145-W168 WeakPolarHBondContact CB-O 3.36Å; L145-W168 PolarHBondContact N-O 3.06Å; L145-L169 HydrophobicContact CB-CD2 3.77Å; L145-L169 HydrophobicContact CD1-CD2 4.1Å; L145-N172 PolarHBondContact O-ND2 2.9Å
146	D	98.3	Very high	97.6	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	24%	0.235	C	C	.	.			trans	-69.9	165.6	-179.7	50.7	-75.1	0	0	0	113.5	Q122 N123 R144 N148 W168 D170	Q122-D146 WeakPolarHBondContact CA-O 3.25Å; Q122-D146 HydrophobicContact CB-CB 4.42Å; Q122-D146 VanDerWaalsContact CB-CG 3.43Å; Q122-D146 VanDerWaalsContact CB-O 3.22Å; Q122-D146 WeakPolarHBondContact CB-O 3.44Å; Q122-D146 WeakPolarHBondContact CB-OD2 3.28Å; N123-D146 PolarHBondContact N-O 2.97Å; R144-D146 WeakPolarHBondContact CB-OD1 3.42Å; R144-D146 WeakPolarHBondContact CG-OD1 3.09Å; R144-D146 IonicContact CZ-OD1 3.76Å; R144-D146 IonicContact CZ-OD2 2.75Å; R144-D146 IonicContact NE-OD1 2.67Å; R144-D146 PolarHBondContact NE-OD1 3.06Å; R144-D146 IonicContact NE-OD2 3.76Å; R144-D146 PolarHBondContact NE-OD2 2.67Å; R144-D146 IonicContact NH2-OD1 3.39Å; R144-D146 IonicContact NH2-OD2 2.63Å; R144-D146 PolarHBondContact NH2-OD2 3.32Å; D146-N148 PolarHBondContact O-N 3.32Å; D146-N148 PolarHBondContact O-ND2 2.88Å; D146-W168 HydrophobicContact CB-CB 4.05Å; D146-W168 PolarHBondContact N-O 2.78Å; D146-W168 WeakPolarHBondContact OD1-CB 3.49Å; D146-D170 CarbonylContact C-O 3.36Å; D146-D170 WeakPolarHBondContact CA-O 3.36Å; D146-D170 WeakPolarHBondContact CB-O 3.33Å; D146-D170 WeakPolarHBondContact CB-OD1 3.47Å
147	A	98.1	Very high	97.7	Very high	29 Å²	29	41.3 Å²	41.3	24%	0.24	21%	0.213	C	C	.	.	S	Bend	trans	48	58.9	-178	0	0	0	0	0	112.2	N123 N124 D170 D171	N123-A147 WeakPolarHBondContact CA-O 3.41Å; N123-A147 HydrophobicContact CB-CB 4.47Å; N123-A147 PolarHBondContact N-O 2.96Å; N124-A147 PolarHBondContact N-O 3.28Å; A147-D170 PolarHBondContact N-O 3.25Å; A147-D171 CarbonylContact C-O 3.19Å; A147-D171 VanDerWaalsContact CA-O 3.23Å; A147-D171 WeakPolarHBondContact CA-O 3.22Å; A147-D171 HydrophobicContact CB-CB 4.46Å; A147-D171 PolarHBondContact N-O 3.27Å
148	N	98.5	Very high	97.8	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.032	21%	0.208	C	C	.	.	S	Bend	trans	-135.6	-165.3	-176.4	-96.6	-94.2	0	0	0	109.8	L121 N124 L126 D146 I150 D171 N172	L121-N148 PolarHBondContact O-ND2 2.86Å; N124-N148 WeakPolarHBondContact CB-OD1 3.2Å; N124-N148 PolarHBondContact O-OD1 3.05Å; N124-N148 VanDerWaalsContact O-OD1 3.09Å; L126-N148 VanDerWaalsContact CB-OD1 3.23Å; L126-N148 WeakPolarHBondContact CB-OD1 3.47Å; L126-N148 WeakPolarHBondContact CG-OD1 3.47Å; L126-N148 PolarHBondContact N-OD1 2.91Å; L126-N148 VanDerWaalsContact N-OD1 3.08Å; D146-N148 PolarHBondContact O-N 3.32Å; D146-N148 PolarHBondContact O-ND2 2.88Å; N148-I150 HydrophobicContact CB-CD1 4.2Å; N148-I150 HydrophobicContact CB-CG1 4.09Å; N148-D171 PolarHBondContact N-O 3.5Å; N148-N172 WeakPolarHBondContact CA-OD1 3.4Å; N148-N172 WeakPolarHBondContact CB-OD1 3.5Å; N148-N172 PolarHBondContact O-OD1 3.48Å
149	H	98.3	Very high	97.9	Very high	108 Å²	108	34.9 Å²	34.9	50%	0.5	20%	0.195	S	C	.	.			trans	-118.7	26.2	179.3	-60.2	-14.6	0	0	0	111.9	L126 R127 S151 N172	L126-H149 CarbonylContact O-C 3.56Å; L126-H149 WeakPolarHBondContact O-CA 3.21Å; L126-H149 PolarHBondContact O-N 2.9Å; R127-H149 WeakPolarHBondContact CA-O 3.14Å; R127-H149 HydrophobicContact CG-CB 4.47Å; H149-S151 PolarHBondContact O-N 3.06Å; H149-S151 VanDerWaalsContact O-N 3.15Å; H149-N172 PolarHBondContact N-OD1 2.97Å
150	I	98.7	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.			trans	-69.2	110.9	-172.7	-61	170.4	0	0	0	109.2	L126 R127 V129 L145 N148 Y152 V153 L169 N172 A173 L174	L126-I150 HydrophobicContact CB-CG1 4.24Å; L126-I150 WeakPolarHBondContact O-CG1 3.06Å; L126-I150 PolarHBondContact O-N 3.12Å; L126-I150 VanDerWaalsContact O-N 3.11Å; R127-I150 WeakPolarHBondContact O-CA 3.22Å; V129-I150 HydrophobicContact CG2-CD1 4.12Å; V129-I150 HydrophobicContact CG2-CG2 3.91Å; L145-I150 HydrophobicContact CB-CD1 3.98Å; L145-I150 HydrophobicContact CD2-CD1 4.45Å; N148-I150 HydrophobicContact CB-CD1 4.2Å; N148-I150 HydrophobicContact CB-CG1 4.09Å; I150-Y152 WeakPolarHBondContact CG2-O 3.4Å; I150-V153 HydrophobicContact CG2-CG2 4.31Å; I150-L169 HydrophobicContact CD1-CD2 4.18Å; I150-N172 WeakPolarHBondContact CB-OD1 3.45Å; I150-N172 WeakPolarHBondContact CG1-OD1 3.16Å; I150-N172 PolarHBondContact N-OD1 2.85Å; I150-A173 CarbonylContact O-C 3.22Å; I150-A173 VanDerWaalsContact O-C 3.23Å; I150-A173 VanDerWaalsContact O-CA 3.31Å; I150-A173 WeakPolarHBondContact O-CA 3.1Å; I150-A173 PolarHBondContact O-N 3.19Å; I150-L174 HydrophobicContact CG2-CD2 3.93Å; I150-L174 PolarHBondContact O-N 3.07Å
151	S	98.1	Very high	97.7	Very high	66 Å²	66	33.3 Å²	33.3	46%	0.462	19%	0.185	S	C	.	.			trans	-103.9	-11.9	169.7	60.2	0	0	0	0	113.2	R127 H149	R127-S151 PolarHBondContact O-N 3.4Å; R127-S151 VanDerWaalsContact O-N 3.11Å; H149-S151 PolarHBondContact O-N 3.06Å; H149-S151 VanDerWaalsContact O-N 3.15Å
152	Y	98.1	Very high	97.6	Very high	116 Å²	116	36.9 Å²	36.9	46%	0.455	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-137.2	140.4	-176.7	-175.6	-114.8	0	0	0	113	Q128 V129 I150 P154 P155	Q128-Y152 WeakPolarHBondContact CA-O 3.38Å; Q128-Y152 HydrophobicContact CB-CD1 4.4Å; Q128-Y152 WeakPolarHBondContact CB-O 3.37Å; V129-Y152 PolarHBondContact N-O 3.46Å; I150-Y152 WeakPolarHBondContact CG2-O 3.4Å; Y152-P154 HydrophobicContact CD1-CG 4.04Å; Y152-P154 HydrophobicContact CE1-CB 4.13Å; Y152-P154 HydrophobicContact CE1-CG 3.8Å; Y152-P155 WeakPolarHBondContact OH-CD 3.38Å
153	V	98.3	Very high	97.5	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	21%	0.212	C	C	.	.			trans	-124.8	106.7	177.7	-175.5	0	0	0	0	108.3	V129 I150 F158 L174 P178 A181	V129-V153 HydrophobicContact CB-CG1 4.26Å; V129-V153 HydrophobicContact CG2-CB 4.26Å; V129-V153 HydrophobicContact CG2-CG1 3.99Å; V129-V153 HydrophobicContact CG2-CG2 3.84Å; I150-V153 HydrophobicContact CG2-CG2 4.31Å; V153-F158 HydrophobicContact CG1-CE2 3.8Å; V153-F158 HydrophobicContact CG1-CZ 4.22Å; V153-L174 HydrophobicContact CG2-CD2 3.74Å; V153-P178 HydrophobicContact CB-CB 3.62Å; V153-P178 HydrophobicContact CB-CG 4Å; V153-P178 HydrophobicContact CG1-CB 4.03Å; V153-P178 HydrophobicContact CG1-CG 4.2Å; V153-P178 HydrophobicContact CG2-CB 4.05Å; V153-P178 HydrophobicContact CG2-CG 3.95Å; V153-A181 HydrophobicContact CG1-CB 3.77Å
154	P	97.8	Very high	97.5	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.045	21%	0.212	C	C	.	.			trans	-62.9	137	-176.9	-24.4	34.6	0	0	0	112.5	V129 T131 Y152 S156 C157	V129-P154 VanDerWaalsContact O-CD 3.28Å; V129-P154 WeakPolarHBondContact O-CD 3.21Å; V129-P154 WeakPolarHBondContact O-CG 3.32Å; T131-P154 HydrophobicContact CG2-CB 3.93Å; T131-P154 HydrophobicContact CG2-CG 4.17Å; Y152-P154 HydrophobicContact CD1-CG 4.04Å; Y152-P154 HydrophobicContact CE1-CB 4.13Å; Y152-P154 HydrophobicContact CE1-CG 3.8Å; P154-S156 PolarHBondContact O-N 3.12Å; P154-C157 HydrophobicContact CB-CB 4.32Å; P154-C157 PolarHBondContact O-N 3.48Å; P154-C157 PolarHBondContact O-SG 3.29Å
155	P	96.3	Very high	97.5	Very high	66 Å²	66	39.9 Å²	39.9	43%	0.429	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-18.4	-170.8	-32.5	36.5	0	0	0	118.1	Y152 Q180 A181	Y152-P155 WeakPolarHBondContact OH-CD 3.38Å; P155-Q180 HydrophobicContact CB-CB 3.95Å; P155-Q180 HydrophobicContact CG-CB 4.47Å; P155-A181 WeakPolarHBondContact O-CA 3.32Å
156	S	95.8	Very high	97.5	Very high	71 Å²	71	43 Å²	43	50%	0.497	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	9.1	-177.7	-54.3	0	0	0	0	114.1	Q135 P154 F158 S159	Q135-S156 PolarHBondContact NE2-O 2.85Å; P154-S156 PolarHBondContact O-N 3.12Å; S156-F158 PolarHBondContact O-N 3.02Å; S156-S159 VanDerWaalsContact O-CB 3.22Å; S156-S159 WeakPolarHBondContact O-CB 3.26Å; S156-S159 PolarHBondContact O-N 3.28Å
157	C	97.1	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.5	-174.8	62	0	0	0	0	113.7	V129 P130 T131 P154	V129-C157 HydrophobicContact CG1-CB 3.93Å; V129-C157 VanDerWaalsContact CG1-SG 3.56Å; P130-C157 WeakPolarHBondContact O-CB 3.32Å; T131-C157 WeakPolarHBondContact O-CA 3.2Å; P154-C157 HydrophobicContact CB-CB 4.32Å; P154-C157 PolarHBondContact O-N 3.48Å; P154-C157 PolarHBondContact O-SG 3.29Å
158	F	97.6	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.9	179	-57.4	-46.5	0	0	0	114.2	V129 L134 L143 L145 V153 S156 G160 L161 L167 A181 F182 L185	V129-F158 HydrophobicContact CG1-CE1 3.77Å; V129-F158 HydrophobicContact CG1-CZ 3.94Å; V129-F158 HydrophobicContact CG2-CZ 4.38Å; L134-F158 HydrophobicContact CD1-CE1 4.45Å; L143-F158 HydrophobicContact CD2-CD1 4.34Å; L143-F158 HydrophobicContact CD2-CE1 3.93Å; L145-F158 HydrophobicContact CD1-CE1 4.47Å; V153-F158 HydrophobicContact CG1-CE2 3.8Å; V153-F158 HydrophobicContact CG1-CZ 4.22Å; S156-F158 PolarHBondContact O-N 3.02Å; F158-G160 PolarHBondContact O-N 3.27Å; F158-L161 HydrophobicContact CB-CD1 3.95Å; F158-L161 HydrophobicContact CD1-CD1 3.75Å; F158-L161 HydrophobicContact CG-CD1 4.28Å; F158-L161 WeakPolarHBondContact O-CB 3.49Å; F158-L161 WeakPolarHBondContact O-CG 3.22Å; F158-L161 PolarHBondContact O-N 2.7Å; F158-L167 HydrophobicContact CE1-CD1 4.41Å; F158-L167 HydrophobicContact CE2-CD2 4.23Å; F158-L167 HydrophobicContact CZ-CD1 4.28Å; F158-L167 HydrophobicContact CZ-CD2 4.15Å; F158-A181 HydrophobicContact CD2-CB 3.96Å; F158-A181 HydrophobicContact CE2-CB 4.26Å; F158-F182 HydrophobicContact CE2-CD1 4.29Å; F158-F182 HydrophobicContact CE2-CE1 4.14Å; F158-L185 HydrophobicContact CB-CD1 4.27Å; F158-L185 HydrophobicContact CB-CD2 3.92Å; F158-L185 HydrophobicContact CB-CG 4.13Å; F158-L185 HydrophobicContact CD2-CD1 3.8Å; F158-L185 HydrophobicContact CD2-CG 4.46Å; F158-L185 HydrophobicContact CE2-CD1 4.35Å; F158-L185 HydrophobicContact CG-CD1 4.09Å; F158-L185 HydrophobicContact CG-CD2 4.5Å; F158-L185 HydrophobicContact CG-CG 4.5Å
159	S	96.4	Very high	97.5	Very high	53 Å²	53	44.7 Å²	44.7	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	128.5	-178.1	-171.2	0	0	0	0	112.1	Q135 N136 S156	Q135-S159 CarbonylContact C-O 3.52Å; Q135-S159 VanDerWaalsContact CA-O 3.28Å; Q135-S159 WeakPolarHBondContact CA-O 3.3Å; N136-S159 PolarHBondContact N-O 3.04Å; S156-S159 VanDerWaalsContact O-CB 3.22Å; S156-S159 WeakPolarHBondContact O-CB 3.26Å; S156-S159 PolarHBondContact O-N 3.28Å
160	G	94.7	Very high	97.5	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	4.7	-179.8	0	0	0	0	0	115.8	F158 H162	F158-G160 PolarHBondContact O-N 3.27Å; G160-H162 PolarHBondContact O-CD2 3.46Å; G160-H162 PolarHBondContact O-N 2.68Å
161	L	97.2	Very high	97.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.237	C	C	.	.			trans	-79.2	53.7	175.7	-66.7	-174.2	0	0	0	112.8	L134 L137 L140 L143 F158 S163 L164 L185	L134-L161 VanDerWaalsContact O-CD2 3.27Å; L134-L161 WeakPolarHBondContact O-CD2 3.48Å; L137-L161 HydrophobicContact CB-CD2 3.67Å; L140-L161 HydrophobicContact CB-CD2 4.26Å; L140-L161 HydrophobicContact CD2-CD2 3.97Å; L143-L161 HydrophobicContact CD2-CD1 4.42Å; F158-L161 HydrophobicContact CB-CD1 3.95Å; F158-L161 HydrophobicContact CD1-CD1 3.75Å; F158-L161 HydrophobicContact CG-CD1 4.28Å; F158-L161 WeakPolarHBondContact O-CB 3.49Å; F158-L161 WeakPolarHBondContact O-CG 3.22Å; F158-L161 PolarHBondContact O-N 2.7Å; L161-S163 PolarHBondContact O-N 2.76Å; L161-S163 VanDerWaalsContact O-N 3.09Å; L161-L164 HydrophobicContact CB-CB 4.14Å; L161-L164 HydrophobicContact CD1-CD2 4.14Å; L161-L164 WeakPolarHBondContact O-CB 3.24Å; L161-L164 PolarHBondContact O-N 3.24Å; L161-L164 VanDerWaalsContact O-N 3.14Å; L161-L185 HydrophobicContact CB-CD2 4.09Å
162	H	94.7	Very high	97.5	Very high	135 Å²	135	42.5 Å²	42.5	63%	0.625	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.8	-170.2	-56.3	-56	0	0	0	115.6	G160 A187	G160-H162 PolarHBondContact O-CD2 3.46Å; G160-H162 PolarHBondContact O-N 2.68Å; H162-A187 WeakPolarHBondContact O-CB 3.3Å
163	S	97.4	Very high	97.6	Very high	45 Å²	45	37.9 Å²	37.9	32%	0.315	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-1	179.1	-60.3	0	0	0	0	113.8	R138 L140 Q141 L161 R165	R138-S163 VanDerWaalsContact O-CB 3.23Å; R138-S163 WeakPolarHBondContact O-CB 3.42Å; R138-S163 PolarHBondContact O-OG 3.13Å; L140-S163 CarbonylContact O-C 3.57Å; L140-S163 WeakPolarHBondContact O-CB 3.39Å; Q141-S163 WeakPolarHBondContact CA-O 3.24Å; L161-S163 PolarHBondContact O-N 2.76Å; L161-S163 VanDerWaalsContact O-N 3.09Å; S163-R165 PolarHBondContact O-N 2.74Å
164	L	98.5	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.			trans	-70.4	122.2	-169.6	-166.8	75.1	0	0	0	111.3	L140 L143 L161 L167 L185 A187 L188	L140-L164 HydrophobicContact CD2-CD1 4.2Å; L140-L164 HydrophobicContact CG-CD1 4.12Å; L140-L164 VanDerWaalsContact O-CA 3.23Å; L140-L164 WeakPolarHBondContact O-CA 3.34Å; L140-L164 PolarHBondContact O-N 2.92Å; L143-L164 HydrophobicContact CB-CD1 3.75Å; L161-L164 HydrophobicContact CB-CB 4.14Å; L161-L164 HydrophobicContact CD1-CD2 4.14Å; L161-L164 WeakPolarHBondContact O-CB 3.24Å; L161-L164 PolarHBondContact O-N 3.24Å; L161-L164 VanDerWaalsContact O-N 3.14Å; L164-L167 HydrophobicContact CD2-CB 4.43Å; L164-L185 HydrophobicContact CB-CD2 4.25Å; L164-L185 HydrophobicContact CD2-CD1 4.14Å; L164-L185 HydrophobicContact CD2-CD2 3.7Å; L164-A187 CarbonylContact O-C 3.59Å; L164-A187 VanDerWaalsContact O-C 3.22Å; L164-L188 HydrophobicContact CD2-CD1 4.01Å; L164-L188 HydrophobicContact CG-CD1 3.98Å; L164-L188 VanDerWaalsContact O-CA 3.3Å; L164-L188 WeakPolarHBondContact O-CA 3.23Å; L164-L188 PolarHBondContact O-N 3.23Å
165	R	98.4	Very high	97.6	Very high	109 Å²	109	40.7 Å²	40.7	41%	0.411	22%	0.221	S	C	.	.			trans	-111.7	-35.3	-179.3	-66.1	174.1	-173.3	-171.7	2.5	112.5	Q141 S163 L188 Q189 A190	Q141-R165 PolarHBondContact O-N 3.14Å; S163-R165 PolarHBondContact O-N 2.74Å; R165-L188 WeakPolarHBondContact O-CD1 3.43Å; R165-Q189 HydrophobicContact CB-CB 4.34Å; R165-Q189 HydrophobicContact CB-CG 4.3Å; R165-Q189 HydrophobicContact CG-CG 4.29Å; R165-Q189 WeakPolarHBondContact O-CA 3.19Å; R165-Q189 PolarHBondContact O-N 2.86Å; R165-A190 PolarHBondContact O-N 3.08Å
166	H	98.7	Very high	97.6	Very high	65 Å²	65	43.7 Å²	43.7	30%	0.301	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.5	-175	-41.4	132.9	0	0	0	110.5	Q141 L143 W168 A190	Q141-H166 PolarHBondContact O-N 2.72Å; L143-H166 PolarHBondContact N-O 2.8Å; H166-W168 HydrophobicContact CB-CE3 4.17Å; H166-W168 HydrophobicContact CB-CH2 3.32Å; H166-W168 HydrophobicContact CB-CZ2 4.08Å; H166-W168 HydrophobicContact CB-CZ3 3.37Å; H166-A190 WeakPolarHBondContact CA-O 3.46Å
167	L	98.8	Very high	97.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.9	178.9	177.7	60.4	0	0	0	110.1	L143 F158 L164 L169 F182 L185 L188 A190 M191 T192	L143-L167 HydrophobicContact CB-CD1 4.3Å; L143-L167 HydrophobicContact CD2-CD1 4.07Å; L143-L167 HydrophobicContact CG-CD1 4.14Å; F158-L167 HydrophobicContact CE1-CD1 4.41Å; F158-L167 HydrophobicContact CE2-CD2 4.23Å; F158-L167 HydrophobicContact CZ-CD1 4.28Å; F158-L167 HydrophobicContact CZ-CD2 4.15Å; L164-L167 HydrophobicContact CD2-CB 4.43Å; L167-L169 HydrophobicContact CD1-CD1 4.23Å; L167-L169 HydrophobicContact CD1-CG 4.16Å; L167-L169 HydrophobicContact CD2-CD1 3.88Å; L167-L169 HydrophobicContact CG-CD1 4Å; L167-L169 HydrophobicContact CG-CG 4.21Å; L167-F182 HydrophobicContact CD2-CE1 3.99Å; L167-L185 HydrophobicContact CD2-CD1 3.89Å; L167-L188 HydrophobicContact CB-CD1 3.83Å; L167-L188 HydrophobicContact CB-CD2 4.28Å; L167-L188 HydrophobicContact CD2-CD2 4.45Å; L167-A190 PolarHBondContact N-O 2.99Å; L167-A190 VanDerWaalsContact N-O 3.12Å; L167-M191 HydrophobicContact CB-CG 4.48Å; L167-M191 HydrophobicContact CD2-SD 4.22Å; L167-M191 WeakPolarHBondContact O-CA 3.44Å; L167-T192 PolarHBondContact O-N 2.89Å; L167-T192 VanDerWaalsContact O-N 3.17Å
168	W	98.8	Very high	97.8	Very high	76 Å²	76	41.6 Å²	41.6	29%	0.288	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	174.9	-61.6	-103.5	0	0	0	109.7	S142 L143 R144 L145 D146 H166 D170 T192	S142-W168 WeakPolarHBondContact OG-CH2 3.2Å; S142-W168 WeakPolarHBondContact OG-CZ3 3.24Å; L143-W168 PolarHBondContact O-N 3.12Å; L143-W168 VanDerWaalsContact O-N 3.12Å; R144-W168 HydrophobicContact CB-CE3 4.39Å; R144-W168 HydrophobicContact CG-CB 4.18Å; R144-W168 HydrophobicContact CG-CD2 3.67Å; R144-W168 HydrophobicContact CG-CE3 3.37Å; R144-W168 HydrophobicContact CG-CG 4.04Å; R144-W168 HydrophobicContact CG-CZ3 3.88Å; L145-W168 CarbonylContact C-O 3.53Å; L145-W168 WeakPolarHBondContact CA-O 3.41Å; L145-W168 WeakPolarHBondContact CB-O 3.36Å; L145-W168 PolarHBondContact N-O 3.06Å; D146-W168 HydrophobicContact CB-CB 4.05Å; D146-W168 PolarHBondContact N-O 2.78Å; D146-W168 WeakPolarHBondContact OD1-CB 3.49Å; H166-W168 HydrophobicContact CB-CE3 4.17Å; H166-W168 HydrophobicContact CB-CH2 3.32Å; H166-W168 HydrophobicContact CB-CZ2 4.08Å; H166-W168 HydrophobicContact CB-CZ3 3.37Å; W168-D170 WeakPolarHBondContact CB-OD1 3.34Å; W168-T192 HydrophobicContact CB-CG2 4.04Å; W168-T192 VanDerWaalsContact CD1-CG2 3.46Å; W168-T192 HydrophobicContact CG-CG2 3.93Å
169	L	98.6	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.			trans	-133.6	20.2	177.4	-77.5	168.1	0	0	0	110.6	V129 L145 I150 L167 N172 L174 F182 T192 L193 N196	V129-L169 HydrophobicContact CG2-CD2 4.15Å; L145-L169 HydrophobicContact CB-CD2 3.77Å; L145-L169 HydrophobicContact CD1-CD2 4.1Å; I150-L169 HydrophobicContact CD1-CD2 4.18Å; L167-L169 HydrophobicContact CD1-CD1 4.23Å; L167-L169 HydrophobicContact CD1-CG 4.16Å; L167-L169 HydrophobicContact CD2-CD1 3.88Å; L167-L169 HydrophobicContact CG-CD1 4Å; L167-L169 HydrophobicContact CG-CG 4.21Å; L169-N172 PolarHBondContact O-ND2 3.04Å; L169-L174 HydrophobicContact CB-CD1 4.38Å; L169-F182 HydrophobicContact CD1-CE1 4.2Å; L169-F182 HydrophobicContact CD1-CZ 4.28Å; L169-T192 PolarHBondContact N-O 3.08Å; L169-L193 HydrophobicContact CB-CD2 3.7Å; L169-L193 HydrophobicContact CD1-CD2 3.98Å; L169-N196 PolarHBondContact O-ND2 3.11Å
170	D	98.2	Very high	97.8	Very high	36 Å²	36	45.7 Å²	45.7	19%	0.193	23%	0.229	C	C	.	.			trans	-73.8	163.1	176.5	53.1	-63.5	0	0	0	113.2	D146 A147 W168 N172 T192 A194	D146-D170 CarbonylContact C-O 3.36Å; D146-D170 WeakPolarHBondContact CA-O 3.36Å; D146-D170 WeakPolarHBondContact CB-O 3.33Å; D146-D170 WeakPolarHBondContact CB-OD1 3.47Å; A147-D170 PolarHBondContact N-O 3.25Å; W168-D170 WeakPolarHBondContact CB-OD1 3.34Å; D170-N172 PolarHBondContact O-ND2 3.04Å; D170-T192 HydrophobicContact CB-CG2 4.2Å; D170-T192 WeakPolarHBondContact OD1-CG2 3.46Å; D170-A194 WeakPolarHBondContact CA-O 3.11Å; D170-A194 HydrophobicContact CB-CB 4.17Å; D170-A194 WeakPolarHBondContact CB-O 3.47Å
171	D	98.4	Very high	97.9	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.444	23%	0.226	S	C	.	.	S	Bend	trans	47.1	68.6	-173.1	-170	33.8	0	0	0	112.6	A147 N148 A194 L195	A147-D171 CarbonylContact C-O 3.19Å; A147-D171 VanDerWaalsContact CA-O 3.23Å; A147-D171 WeakPolarHBondContact CA-O 3.22Å; A147-D171 HydrophobicContact CB-CB 4.46Å; A147-D171 PolarHBondContact N-O 3.27Å; N148-D171 PolarHBondContact N-O 3.5Å; D171-A194 PolarHBondContact N-O 2.82Å; D171-A194 VanDerWaalsContact N-O 3.15Å; D171-L195 WeakPolarHBondContact CA-O 3.4Å; D171-L195 HydrophobicContact CB-CB 4.21Å; D171-L195 HydrophobicContact CB-CD2 4.4Å
172	N	98.8	Very high	97.9	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	23%	0.226	C	C	.	.	S	Bend	trans	-147.5	-171.3	-172.1	-95	-73.7	0	0	0	111.1	L145 N148 H149 I150 L169 D170 L195 N196	L145-N172 PolarHBondContact O-ND2 2.9Å; N148-N172 WeakPolarHBondContact CA-OD1 3.4Å; N148-N172 WeakPolarHBondContact CB-OD1 3.5Å; N148-N172 PolarHBondContact O-OD1 3.48Å; H149-N172 PolarHBondContact N-OD1 2.97Å; I150-N172 WeakPolarHBondContact CB-OD1 3.45Å; I150-N172 WeakPolarHBondContact CG1-OD1 3.16Å; I150-N172 PolarHBondContact N-OD1 2.85Å; L169-N172 PolarHBondContact O-ND2 3.04Å; D170-N172 PolarHBondContact O-ND2 3.04Å; N172-L195 PolarHBondContact N-O 3.37Å; N172-N196 VanDerWaalsContact CB-OD1 3.24Å; N172-N196 WeakPolarHBondContact CB-OD1 3.47Å; N172-N196 PolarHBondContact O-OD1 3.02Å
173	A	98.4	Very high	97.9	Very high	20 Å²	20	45.6 Å²	45.6	17%	0.165	22%	0.221	C	C	.	.			trans	-113	19.4	-173.3	0	0	0	0	0	114.2	I150 T175 N196	I150-A173 CarbonylContact O-C 3.22Å; I150-A173 VanDerWaalsContact O-C 3.23Å; I150-A173 VanDerWaalsContact O-CA 3.31Å; I150-A173 WeakPolarHBondContact O-CA 3.1Å; I150-A173 PolarHBondContact O-N 3.19Å; A173-T175 PolarHBondContact O-N 2.77Å; A173-N196 PolarHBondContact N-OD1 2.79Å
174	L	98.6	Very high	97.8	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	22%	0.221	C	C	.	.			trans	-65.2	130.6	-178.5	-58.1	175.5	0	0	0	111.1	I150 V153 L169 L193 N196 K197 I198	I150-L174 HydrophobicContact CG2-CD2 3.93Å; I150-L174 PolarHBondContact O-N 3.07Å; V153-L174 HydrophobicContact CG2-CD2 3.74Å; L169-L174 HydrophobicContact CB-CD1 4.38Å; L174-L193 HydrophobicContact CD1-CD2 3.73Å; L174-N196 HydrophobicContact CB-CB 4.36Å; L174-N196 WeakPolarHBondContact CB-OD1 3.49Å; L174-N196 WeakPolarHBondContact CG-OD1 3.25Å; L174-N196 PolarHBondContact N-OD1 2.96Å; L174-K197 CarbonylContact O-C 3.34Å; L174-K197 VanDerWaalsContact O-CA 3.25Å; L174-K197 WeakPolarHBondContact O-CA 3.48Å; L174-K197 WeakPolarHBondContact O-CB 3.28Å; L174-K197 PolarHBondContact O-N 3.12Å; L174-I198 HydrophobicContact CB-CG1 4.35Å; L174-I198 PolarHBondContact O-N 2.99Å
175	T	97.6	Very high	97.7	Very high	71 Å²	71	45.6 Å²	45.6	44%	0.436	22%	0.221	S	C	.	.			trans	-101.3	-16.2	178.6	50	0	0	0	0	113.8	A173 K197 H199	A173-T175 PolarHBondContact O-N 2.77Å; T175-K197 HydrophobicContact CG2-CB 4.41Å; T175-H199 PolarHBondContact O-CE1 3.27Å; T175-H199 PolarHBondContact O-ND1 3Å
176	E	97.8	Very high	97.6	Very high	128 Å²	128	43.4 Å²	43.4	60%	0.598	22%	0.222	S	C	*	.	S	Bend	trans	-149.9	165.7	-176	61.1	175.9	-161.3	0	0	110.9
177	I	98.2	Very high	97.6	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.041	22%	0.221	C	C	.	.			trans	-79.7	125.6	175.1	-57.9	-60.8	0	0	0	110	V179 F182 L193 I198 I201 A205 F206 L217	I177-V179 HydrophobicContact CB-CG2 4.42Å; I177-V179 HydrophobicContact CG2-CG2 4.15Å; I177-V179 WeakPolarHBondContact O-CG2 3.09Å; I177-V179 PolarHBondContact O-N 3.34Å; I177-F182 HydrophobicContact CG2-CD2 3.99Å; I177-F182 HydrophobicContact CG2-CE2 3.9Å; I177-L193 HydrophobicContact CD1-CD1 3.93Å; I177-I198 HydrophobicContact CD1-CD1 3.79Å; I177-I198 HydrophobicContact CD1-CG1 4.42Å; I177-I198 HydrophobicContact CD1-CG2 3.97Å; I177-I198 HydrophobicContact CG1-CG2 4.24Å; I177-I201 HydrophobicContact CG1-CG1 4.16Å; I177-I201 HydrophobicContact CG1-CG2 4.18Å; I177-A205 HydrophobicContact CB-CB 4.45Å; I177-A205 HydrophobicContact CG2-CB 4.11Å; I177-F206 HydrophobicContact CD1-CE1 4.28Å; I177-F206 HydrophobicContact CD1-CZ 3.85Å; I177-F206 HydrophobicContact CG1-CZ 4.11Å; I177-F206 HydrophobicContact CG2-CD1 4.34Å; I177-F206 HydrophobicContact CG2-CE1 3.71Å; I177-F206 HydrophobicContact CG2-CZ 4Å; I177-L217 HydrophobicContact CD1-CD2 4.07Å
178	P	97.4	Very high	97.5	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.123	22%	0.22	C	C	.	.			trans	-80.8	62.6	-178.5	35	-38.8	0	0	0	112.7	V153 Q180 A181 F182	V153-P178 HydrophobicContact CB-CB 3.62Å; V153-P178 HydrophobicContact CB-CG 4Å; V153-P178 HydrophobicContact CG1-CB 4.03Å; V153-P178 HydrophobicContact CG1-CG 4.2Å; V153-P178 HydrophobicContact CG2-CB 4.05Å; V153-P178 HydrophobicContact CG2-CG 3.95Å; P178-Q180 PolarHBondContact O-N 3.17Å; P178-A181 HydrophobicContact CB-CB 4.47Å; P178-A181 PolarHBondContact O-N 3.2Å; P178-F182 HydrophobicContact CG-CD1 4.31Å; P178-F182 HydrophobicContact CG-CD2 4.2Å; P178-F182 HydrophobicContact CG-CE1 3.79Å; P178-F182 HydrophobicContact CG-CE2 3.68Å; P178-F182 HydrophobicContact CG-CG 4.5Å; P178-F182 HydrophobicContact CG-CZ 3.45Å; P178-F182 VanDerWaalsContact CG-CZ 3.45Å; P178-F182 PolarHBondContact O-N 3.45Å
179	V	97.6	Very high	97.5	Very high	35 Å²	35	41.9 Å²	41.9	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-46.3	-41.3	-172.5	-176.2	0	0	0	0	113.6	I177 R183 P202 A205	I177-V179 HydrophobicContact CB-CG2 4.42Å; I177-V179 HydrophobicContact CG2-CG2 4.15Å; I177-V179 WeakPolarHBondContact O-CG2 3.09Å; I177-V179 PolarHBondContact O-N 3.34Å; V179-R183 PolarHBondContact O-N 2.95Å; V179-P202 HydrophobicContact CG2-CG 4.27Å; V179-A205 HydrophobicContact CG2-CB 4.01Å
180	Q	96.6	Very high	97.5	Very high	105 Å²	105	43.4 Å²	43.4	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-68.9	-35	-177.2	-54.9	-58.8	-24.6	0	0	112.9	P155 P178 R183	P155-Q180 HydrophobicContact CB-CB 3.95Å; P155-Q180 HydrophobicContact CG-CB 4.47Å; P178-Q180 PolarHBondContact O-N 3.17Å; Q180-R183 WeakPolarHBondContact O-CB 3.23Å
181	A	97.1	Very high	97.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-73.3	-43.8	178.1	0	0	0	0	0	111.1	V153 P155 F158 P178 R183 S184	V153-A181 HydrophobicContact CG1-CB 3.77Å; P155-A181 WeakPolarHBondContact O-CA 3.32Å; F158-A181 HydrophobicContact CD2-CB 3.96Å; F158-A181 HydrophobicContact CE2-CB 4.26Å; P178-A181 HydrophobicContact CB-CB 4.47Å; P178-A181 PolarHBondContact O-N 3.2Å; A181-R183 PolarHBondContact O-N 3.17Å; A181-S184 PolarHBondContact O-N 3.07Å; A181-S184 PolarHBondContact O-OG 3.02Å
182	F	97.4	Very high	97.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-23.3	178.7	-65.6	-17.7	0	0	0	113.7	F158 L167 L169 I177 P178 S184 L185 M191 L193 F206 L209	F158-F182 HydrophobicContact CE2-CD1 4.29Å; F158-F182 HydrophobicContact CE2-CE1 4.14Å; L167-F182 HydrophobicContact CD2-CE1 3.99Å; L169-F182 HydrophobicContact CD1-CE1 4.2Å; L169-F182 HydrophobicContact CD1-CZ 4.28Å; I177-F182 HydrophobicContact CG2-CD2 3.99Å; I177-F182 HydrophobicContact CG2-CE2 3.9Å; P178-F182 HydrophobicContact CG-CD1 4.31Å; P178-F182 HydrophobicContact CG-CD2 4.2Å; P178-F182 HydrophobicContact CG-CE1 3.79Å; P178-F182 HydrophobicContact CG-CE2 3.68Å; P178-F182 HydrophobicContact CG-CG 4.5Å; P178-F182 HydrophobicContact CG-CZ 3.45Å; P178-F182 VanDerWaalsContact CG-CZ 3.45Å; P178-F182 PolarHBondContact O-N 3.45Å; F182-S184 PolarHBondContact O-N 2.85Å; F182-L185 HydrophobicContact CD1-CD1 4.23Å; F182-L185 PolarHBondContact O-N 3.47Å; F182-M191 HydrophobicContact CD1-SD 4.32Å; F182-M191 HydrophobicContact CD2-CE 4.21Å; F182-M191 HydrophobicContact CD2-SD 4.3Å; F182-M191 HydrophobicContact CE1-SD 3.84Å; F182-M191 HydrophobicContact CE2-CE 3.88Å; F182-M191 HydrophobicContact CE2-SD 3.81Å; F182-M191 HydrophobicContact CZ-CE 4.25Å; F182-M191 HydrophobicContact CZ-SD 3.56Å; F182-M191 VanDerWaalsContact CZ-SD 3.56Å; F182-L193 HydrophobicContact CE2-CD1 3.87Å; F182-L193 HydrophobicContact CZ-CD1 4.04Å; F182-L193 HydrophobicContact CZ-CD2 4.05Å; F182-F206 HydrophobicContact CD2-CD1 4.22Å; F182-F206 HydrophobicContact CD2-CE1 4.27Å; F182-F206 HydrophobicContact CE2-CE1 4.2Å; F182-L209 HydrophobicContact CB-CD1 4.4Å; F182-L209 HydrophobicContact CB-CD2 4.34Å; F182-L209 VanDerWaalsContact O-CD2 3.28Å; F182-L209 WeakPolarHBondContact O-CD2 3.27Å
183	R	95.3	Very high	97.6	Very high	139 Å²	139	38.1 Å²	38.1	53%	0.525	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-26.7	173.1	177.5	171	-73.5	154.4	0.3	113.9	V179 Q180 A181 N208	V179-R183 PolarHBondContact O-N 2.95Å; Q180-R183 WeakPolarHBondContact O-CB 3.23Å; A181-R183 PolarHBondContact O-N 3.17Å; R183-N208 HydrophobicContact CG-CB 4.47Å
184	S	94.5	Very high	97.6	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11	179.7	65.6	0	0	0	0	115.3	A181 F182	A181-S184 PolarHBondContact O-N 3.07Å; A181-S184 PolarHBondContact O-OG 3.02Å; F182-S184 PolarHBondContact O-N 2.85Å
185	L	97.1	Very high	97.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.219	C	C	.	.			trans	-104.5	44.8	-165.6	-66.7	-178.8	0	0	0	114	F158 L161 L164 L167 F182 A187 L188 L209	F158-L185 HydrophobicContact CB-CD1 4.27Å; F158-L185 HydrophobicContact CB-CD2 3.92Å; F158-L185 HydrophobicContact CB-CG 4.13Å; F158-L185 HydrophobicContact CD2-CD1 3.8Å; F158-L185 HydrophobicContact CD2-CG 4.46Å; F158-L185 HydrophobicContact CE2-CD1 4.35Å; F158-L185 HydrophobicContact CG-CD1 4.09Å; F158-L185 HydrophobicContact CG-CD2 4.5Å; F158-L185 HydrophobicContact CG-CG 4.5Å; L161-L185 HydrophobicContact CB-CD2 4.09Å; L164-L185 HydrophobicContact CB-CD2 4.25Å; L164-L185 HydrophobicContact CD2-CD1 4.14Å; L164-L185 HydrophobicContact CD2-CD2 3.7Å; L167-L185 HydrophobicContact CD2-CD1 3.89Å; F182-L185 HydrophobicContact CD1-CD1 4.23Å; F182-L185 PolarHBondContact O-N 3.47Å; L185-A187 PolarHBondContact O-N 3.28Å; L185-L188 HydrophobicContact CB-CB 4.25Å; L185-L188 HydrophobicContact CD1-CD2 4.31Å; L185-L188 VanDerWaalsContact O-CB 3.24Å; L185-L188 WeakPolarHBondContact O-CB 3.34Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-L209 HydrophobicContact CB-CD2 3.78Å; L185-L209 VanDerWaalsContact O-CD2 3.24Å; L185-L209 WeakPolarHBondContact O-CD2 3.35Å
186	S	95.9	Very high	97.6	Very high	63 Å²	63	37.6 Å²	37.6	44%	0.441	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.5	-175.8	57.4	0	0	0	0	115.8	N208 S211	S186-N208 WeakPolarHBondContact CA-O 3.44Å; S186-N208 WeakPolarHBondContact CB-O 3.13Å; S186-S211 VanDerWaalsContact O-CB 3.32Å; S186-S211 WeakPolarHBondContact O-CB 3.49Å; S186-S211 PolarHBondContact O-OG 3.03Å
187	A	97.5	Very high	97.6	Very high	32 Å²	32	35.9 Å²	35.9	26%	0.264	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.3	175.4	0	0	0	0	0	114.3	H162 L164 L185	H162-A187 WeakPolarHBondContact O-CB 3.3Å; L164-A187 CarbonylContact O-C 3.59Å; L164-A187 VanDerWaalsContact O-C 3.22Å; L185-A187 PolarHBondContact O-N 3.28Å
188	L	98.5	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.			trans	-66.9	137.1	-175.6	-160.2	71	0	0	0	111.2	L164 R165 L167 L185 M191 L209 S211 L212	L164-L188 HydrophobicContact CD2-CD1 4.01Å; L164-L188 HydrophobicContact CG-CD1 3.98Å; L164-L188 VanDerWaalsContact O-CA 3.3Å; L164-L188 WeakPolarHBondContact O-CA 3.23Å; L164-L188 PolarHBondContact O-N 3.23Å; R165-L188 WeakPolarHBondContact O-CD1 3.43Å; L167-L188 HydrophobicContact CB-CD1 3.83Å; L167-L188 HydrophobicContact CB-CD2 4.28Å; L167-L188 HydrophobicContact CD2-CD2 4.45Å; L185-L188 HydrophobicContact CB-CB 4.25Å; L185-L188 HydrophobicContact CD1-CD2 4.31Å; L185-L188 VanDerWaalsContact O-CB 3.24Å; L185-L188 WeakPolarHBondContact O-CB 3.34Å; L185-L188 PolarHBondContact O-N 3.39Å; L188-M191 HydrophobicContact CD2-CB 3.87Å; L188-M191 HydrophobicContact CD2-CG 4.18Å; L188-M191 HydrophobicContact CD2-SD 3.78Å; L188-L209 HydrophobicContact CB-CD2 4.44Å; L188-L209 HydrophobicContact CD2-CD1 4.47Å; L188-L209 HydrophobicContact CD2-CD2 4.45Å; L188-S211 CarbonylContact O-C 3.11Å; L188-L212 HydrophobicContact CB-CD1 4.25Å; L188-L212 HydrophobicContact CD2-CD1 4.05Å; L188-L212 HydrophobicContact CG-CD1 3.96Å; L188-L212 WeakPolarHBondContact O-CA 3.32Å; L188-L212 PolarHBondContact O-N 3.3Å
189	Q	98.5	Very high	97.7	Very high	78 Å²	78	39.5 Å²	39.5	36%	0.364	21%	0.205	S	C	.	.			trans	-117.9	-36	-174.3	-64.1	-174.3	-40.8	0	0	112.5	R165 V213 V214	R165-Q189 HydrophobicContact CB-CB 4.34Å; R165-Q189 HydrophobicContact CB-CG 4.3Å; R165-Q189 HydrophobicContact CG-CG 4.29Å; R165-Q189 WeakPolarHBondContact O-CA 3.19Å; R165-Q189 PolarHBondContact O-N 2.86Å; Q189-V213 WeakPolarHBondContact O-CA 3.39Å; Q189-V213 PolarHBondContact O-N 3.46Å; Q189-V214 PolarHBondContact O-N 3.09Å
190	A	98.7	Very high	97.7	Very high	31 Å²	31	41.1 Å²	41.1	26%	0.256	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.4	173.7	0	0	0	0	0	110.8	R165 H166 L167 V214	R165-A190 PolarHBondContact O-N 3.08Å; H166-A190 WeakPolarHBondContact CA-O 3.46Å; L167-A190 PolarHBondContact N-O 2.99Å; L167-A190 VanDerWaalsContact N-O 3.12Å; A190-V214 WeakPolarHBondContact CA-O 3.32Å; A190-V214 HydrophobicContact CB-CB 4.2Å
191	M	98.6	Very high	97.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.5	175.9	-172.4	168.9	61.8	0	0	110.9	L167 F182 L188 L193 F206 L209 L212 V214 L215 H216	L167-M191 HydrophobicContact CB-CG 4.48Å; L167-M191 HydrophobicContact CD2-SD 4.22Å; L167-M191 WeakPolarHBondContact O-CA 3.44Å; F182-M191 HydrophobicContact CD1-SD 4.32Å; F182-M191 HydrophobicContact CD2-CE 4.21Å; F182-M191 HydrophobicContact CD2-SD 4.3Å; F182-M191 HydrophobicContact CE1-SD 3.84Å; F182-M191 HydrophobicContact CE2-CE 3.88Å; F182-M191 HydrophobicContact CE2-SD 3.81Å; F182-M191 HydrophobicContact CZ-CE 4.25Å; F182-M191 HydrophobicContact CZ-SD 3.56Å; F182-M191 VanDerWaalsContact CZ-SD 3.56Å; L188-M191 HydrophobicContact CD2-CB 3.87Å; L188-M191 HydrophobicContact CD2-CG 4.18Å; L188-M191 HydrophobicContact CD2-SD 3.78Å; M191-L193 HydrophobicContact CE-CD1 3.94Å; M191-L193 HydrophobicContact CG-CG 4.38Å; M191-L193 HydrophobicContact SD-CD1 4.27Å; M191-F206 HydrophobicContact CE-CD1 3.79Å; M191-F206 HydrophobicContact CE-CE1 3.66Å; M191-L209 HydrophobicContact CE-CD1 3.67Å; M191-L209 HydrophobicContact SD-CD1 4.42Å; M191-L212 HydrophobicContact CB-CD1 3.96Å; M191-L212 HydrophobicContact CE-CD2 4.43Å; M191-V214 PolarHBondContact N-O 3.38Å; M191-L215 HydrophobicContact CB-CD1 4.49Å; M191-L215 HydrophobicContact CE-CD1 3.72Å; M191-L215 WeakPolarHBondContact O-CA 3.47Å; M191-H216 PolarHBondContact O-N 3.04Å
192	T	98.6	Very high	97.8	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.4	170	176.3	0	0	0	0	111.2	L167 W168 L169 D170 A194	L167-T192 PolarHBondContact O-N 2.89Å; L167-T192 VanDerWaalsContact O-N 3.17Å; W168-T192 HydrophobicContact CB-CG2 4.04Å; W168-T192 VanDerWaalsContact CD1-CG2 3.46Å; W168-T192 HydrophobicContact CG-CG2 3.93Å; L169-T192 PolarHBondContact N-O 3.08Å; D170-T192 HydrophobicContact CB-CG2 4.2Å; D170-T192 WeakPolarHBondContact OD1-CG2 3.46Å; T192-A194 PolarHBondContact OG1-N 3.06Å
193	L	98.6	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.			trans	-127.9	23	175.8	-66.6	164.4	0	0	0	109.5	L169 L174 I177 F182 M191 N196 I198 F206 H216 L217 N220	L169-L193 HydrophobicContact CB-CD2 3.7Å; L169-L193 HydrophobicContact CD1-CD2 3.98Å; L174-L193 HydrophobicContact CD1-CD2 3.73Å; I177-L193 HydrophobicContact CD1-CD1 3.93Å; F182-L193 HydrophobicContact CE2-CD1 3.87Å; F182-L193 HydrophobicContact CZ-CD1 4.04Å; F182-L193 HydrophobicContact CZ-CD2 4.05Å; M191-L193 HydrophobicContact CE-CD1 3.94Å; M191-L193 HydrophobicContact CG-CG 4.38Å; M191-L193 HydrophobicContact SD-CD1 4.27Å; L193-N196 PolarHBondContact O-ND2 3.02Å; L193-I198 HydrophobicContact CB-CD1 3.99Å; L193-F206 HydrophobicContact CD1-CE1 4.25Å; L193-H216 PolarHBondContact N-O 3.31Å; L193-L217 HydrophobicContact CB-CD2 4Å; L193-L217 HydrophobicContact CD1-CD2 4.17Å; L193-N220 PolarHBondContact O-ND2 3.02Å
194	A	98.5	Very high	98	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	22%	0.217	C	C	.	.			trans	-68.6	166.2	-177.4	0	0	0	0	0	112.5	D170 D171 T192 N196 H218	D170-A194 WeakPolarHBondContact CA-O 3.11Å; D170-A194 HydrophobicContact CB-CB 4.17Å; D170-A194 WeakPolarHBondContact CB-O 3.47Å; D171-A194 PolarHBondContact N-O 2.82Å; D171-A194 VanDerWaalsContact N-O 3.15Å; T192-A194 PolarHBondContact OG1-N 3.06Å; A194-N196 VanDerWaalsContact C-N 3.27Å; A194-N196 PolarHBondContact O-N 2.8Å; A194-N196 PolarHBondContact O-ND2 3.17Å; A194-H218 CarbonylContact C-O 3.53Å; A194-H218 WeakPolarHBondContact CA-O 3.05Å; A194-H218 WeakPolarHBondContact CB-NE2 3.13Å; A194-H218 VanDerWaalsContact CB-O 3.3Å; A194-H218 WeakPolarHBondContact CB-O 3.35Å
195	L	98.4	Very high	98.1	Very high	76 Å²	76	38.8 Å²	38.8	40%	0.398	20%	0.203	S	C	.	.	S	Bend	trans	52.1	44.9	178.3	-69.7	78.1	0	0	0	112.4	D171 N172 H218 N219	D171-L195 WeakPolarHBondContact CA-O 3.4Å; D171-L195 HydrophobicContact CB-CB 4.21Å; D171-L195 HydrophobicContact CB-CD2 4.4Å; N172-L195 PolarHBondContact N-O 3.37Å; L195-H218 PolarHBondContact N-O 3.01Å; L195-N219 VanDerWaalsContact CA-O 3.23Å; L195-N219 WeakPolarHBondContact CA-O 3.34Å; L195-N219 HydrophobicContact CD1-CB 3.96Å; L195-N219 HydrophobicContact CG-CB 3.92Å; L195-N219 PolarHBondContact N-O 2.73Å
196	N	98.8	Very high	98.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	20%	0.203	C	C	.	.	S	Bend	trans	-123.3	-167.1	179.5	-90.1	-87.9	0	0	0	110.2	L169 N172 A173 L174 L193 A194 I198 N219 N220	L169-N196 PolarHBondContact O-ND2 3.11Å; N172-N196 VanDerWaalsContact CB-OD1 3.24Å; N172-N196 WeakPolarHBondContact CB-OD1 3.47Å; N172-N196 PolarHBondContact O-OD1 3.02Å; A173-N196 PolarHBondContact N-OD1 2.79Å; L174-N196 HydrophobicContact CB-CB 4.36Å; L174-N196 WeakPolarHBondContact CB-OD1 3.49Å; L174-N196 WeakPolarHBondContact CG-OD1 3.25Å; L174-N196 PolarHBondContact N-OD1 2.96Å; L193-N196 PolarHBondContact O-ND2 3.02Å; A194-N196 VanDerWaalsContact C-N 3.27Å; A194-N196 PolarHBondContact O-N 2.8Å; A194-N196 PolarHBondContact O-ND2 3.17Å; N196-I198 HydrophobicContact CB-CD1 4.18Å; N196-I198 HydrophobicContact CB-CG1 4.31Å; N196-N219 PolarHBondContact N-O 2.63Å; N196-N220 WeakPolarHBondContact CA-OD1 3.34Å; N196-N220 WeakPolarHBondContact CB-OD1 3.42Å; N196-N220 PolarHBondContact O-OD1 2.99Å
197	K	98.4	Very high	98.1	Very high	92 Å²	92	37.2 Å²	37.2	40%	0.4	20%	0.197	S	C	.	.			trans	-119.4	25	-176.7	-64.5	154.8	-168.9	157.6	0	111.3	L174 T175 H199 N220	L174-K197 CarbonylContact O-C 3.34Å; L174-K197 VanDerWaalsContact O-CA 3.25Å; L174-K197 WeakPolarHBondContact O-CA 3.48Å; L174-K197 WeakPolarHBondContact O-CB 3.28Å; L174-K197 PolarHBondContact O-N 3.12Å; T175-K197 HydrophobicContact CG2-CB 4.41Å; K197-H199 PolarHBondContact O-N 2.84Å; K197-N220 PolarHBondContact N-OD1 3.28Å
198	I	98.7	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.			trans	-67.5	127.9	-179.9	-59.1	157.5	0	0	0	108.4	L174 I177 L193 N196 I201 L217 N220 R221 I222	L174-I198 HydrophobicContact CB-CG1 4.35Å; L174-I198 PolarHBondContact O-N 2.99Å; I177-I198 HydrophobicContact CD1-CD1 3.79Å; I177-I198 HydrophobicContact CD1-CG1 4.42Å; I177-I198 HydrophobicContact CD1-CG2 3.97Å; I177-I198 HydrophobicContact CG1-CG2 4.24Å; L193-I198 HydrophobicContact CB-CD1 3.99Å; N196-I198 HydrophobicContact CB-CD1 4.18Å; N196-I198 HydrophobicContact CB-CG1 4.31Å; I198-I201 HydrophobicContact CG2-CG1 4.47Å; I198-L217 HydrophobicContact CD1-CD2 4.43Å; I198-N220 HydrophobicContact CB-CB 4.46Å; I198-N220 VanDerWaalsContact CB-OD1 3.31Å; I198-N220 WeakPolarHBondContact CB-OD1 3.47Å; I198-N220 PolarHBondContact N-OD1 3.19Å; I198-R221 CarbonylContact O-C 3.54Å; I198-R221 WeakPolarHBondContact O-CA 3.17Å; I198-R221 PolarHBondContact O-N 3.38Å; I198-I222 HydrophobicContact CG2-CG1 4.25Å; I198-I222 WeakPolarHBondContact O-CG1 3.42Å; I198-I222 PolarHBondContact O-N 2.88Å; I198-I222 VanDerWaalsContact O-N 3.16Å
199	H	97.7	Very high	97.9	Very high	103 Å²	103	39.4 Å²	39.4	48%	0.477	20%	0.204	S	C	.	.			trans	-118.6	-19.3	-172.3	66.5	-75.9	0	0	0	114.2	T175 K197 R221 H223	T175-H199 PolarHBondContact O-CE1 3.27Å; T175-H199 PolarHBondContact O-ND1 3Å; K197-H199 PolarHBondContact O-N 2.84Å; H199-R221 WeakPolarHBondContact CA-O 3.49Å; H199-H223 PolarHBondContact O-N 3.05Å
200	H	97.9	Very high	97.8	Very high	69 Å²	69	38.1 Å²	38.1	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.4	178	178.3	68.4	0	0	0	110.3	P202 S224	H200-P202 WeakPolarHBondContact NE2-CA 3.12Å; H200-S224 WeakPolarHBondContact CA-O 3.18Å; H200-S224 PolarHBondContact ND1-O 3.03Å; H200-S224 PolarHBondContact ND1-OG 3.41Å
201	I	98.4	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.5	169.5	-52.1	-173.5	0	0	0	108.8	I177 I198 A205 F206 L217 I222 S224 L225 G226 C229	I177-I201 HydrophobicContact CG1-CG1 4.16Å; I177-I201 HydrophobicContact CG1-CG2 4.18Å; I198-I201 HydrophobicContact CG2-CG1 4.47Å; I201-A205 HydrophobicContact CG2-CB 3.6Å; I201-F206 HydrophobicContact CD1-CE2 4.45Å; I201-F206 HydrophobicContact CG2-CE2 3.82Å; I201-F206 HydrophobicContact CG2-CZ 4.43Å; I201-L217 HydrophobicContact CD1-CD1 3.65Å; I201-L217 HydrophobicContact CD1-CD2 4.2Å; I201-I222 HydrophobicContact CD1-CD1 3.94Å; I201-I222 HydrophobicContact CG1-CD1 4.42Å; I201-I222 HydrophobicContact CG1-CG2 4.44Å; I201-S224 PolarHBondContact N-O 3.15Å; I201-L225 HydrophobicContact CB-CD2 3.75Å; I201-L225 HydrophobicContact CD1-CD2 3.77Å; I201-L225 HydrophobicContact CG1-CD2 3.8Å; I201-G226 PolarHBondContact O-N 3Å; I201-C229 HydrophobicContact CB-CB 4.2Å; I201-C229 HydrophobicContact CG2-CB 3.68Å
202	P	97.9	Very high	97.8	Very high	47 Å²	47	38.5 Å²	38.5	31%	0.305	21%	0.205	S	C	.	.			trans	-75.2	166.6	-177.8	30.9	-35.5	0	0	0	112.9	V179 H200 A205 C229	V179-P202 HydrophobicContact CG2-CG 4.27Å; H200-P202 WeakPolarHBondContact NE2-CA 3.12Å; P202-A205 HydrophobicContact CG-CB 4.09Å; P202-A205 VanDerWaalsContact O-CB 3.3Å; P202-A205 WeakPolarHBondContact O-CB 3.44Å; P202-A205 PolarHBondContact O-N 3.24Å; P202-C229 VanDerWaalsContact O-CA 3.26Å; P202-C229 WeakPolarHBondContact O-CA 3.31Å; P202-C229 WeakPolarHBondContact O-CB 3.48Å
203	D	98.1	Very high	97.8	Very high	73 Å²	73	39.9 Å²	39.9	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	137.7	174	-79	-7.4	0	0	0	111.9	A205 G226 K227 K228	D203-A205 PolarHBondContact O-N 3.17Å; D203-G226 WeakPolarHBondContact OD1-CA 3.43Å; D203-K227 PolarHBondContact OD1-N 2.89Å; D203-K228 HydrophobicContact CB-CB 4.13Å; D203-K228 WeakPolarHBondContact OD1-CA 3.39Å; D203-K228 PolarHBondContact OD1-N 3.49Å
204	Y	97.8	Very high	97.8	Very high	121 Å²	121	41.8 Å²	41.8	48%	0.475	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.5	-177	-43.2	-77.5	0	0	0	115.4	F206 G207 K228 D231	Y204-F206 PolarHBondContact O-N 3.08Å; Y204-G207 PolarHBondContact O-N 2.98Å; Y204-K228 HydrophobicContact CE1-CB 4.34Å; Y204-K228 HydrophobicContact CE1-CD 4.31Å; Y204-K228 HydrophobicContact CE2-CD 4.42Å; Y204-K228 PolarHBondContact N-O 3.01Å; Y204-K228 WeakPolarHBondContact OH-CD 3.43Å; Y204-K228 PolarHBondContact OH-NZ 3.44Å; Y204-D231 HydrophobicContact CD1-CB 3.63Å; Y204-D231 HydrophobicContact CE1-CB 3.72Å
205	A	98	Very high	97.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.5	-178.5	0	0	0	0	0	114.4	I177 V179 I201 P202 D203 C229	I177-A205 HydrophobicContact CB-CB 4.45Å; I177-A205 HydrophobicContact CG2-CB 4.11Å; V179-A205 HydrophobicContact CG2-CB 4.01Å; I201-A205 HydrophobicContact CG2-CB 3.6Å; P202-A205 HydrophobicContact CG-CB 4.09Å; P202-A205 VanDerWaalsContact O-CB 3.3Å; P202-A205 WeakPolarHBondContact O-CB 3.44Å; P202-A205 PolarHBondContact O-N 3.24Å; D203-A205 PolarHBondContact O-N 3.17Å; A205-C229 PolarHBondContact N-O 2.86Å
206	F	97.9	Very high	97.8	Very high	2 Å²	2	41 Å²	41	1%	0.009	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	16.5	179.5	-51.9	-73.7	0	0	0	113.4	I177 F182 M191 L193 I201 Y204 N208 L209 L215 L217 F230 L233	I177-F206 HydrophobicContact CD1-CE1 4.28Å; I177-F206 HydrophobicContact CD1-CZ 3.85Å; I177-F206 HydrophobicContact CG1-CZ 4.11Å; I177-F206 HydrophobicContact CG2-CD1 4.34Å; I177-F206 HydrophobicContact CG2-CE1 3.71Å; I177-F206 HydrophobicContact CG2-CZ 4Å; F182-F206 HydrophobicContact CD2-CD1 4.22Å; F182-F206 HydrophobicContact CD2-CE1 4.27Å; F182-F206 HydrophobicContact CE2-CE1 4.2Å; M191-F206 HydrophobicContact CE-CD1 3.79Å; M191-F206 HydrophobicContact CE-CE1 3.66Å; L193-F206 HydrophobicContact CD1-CE1 4.25Å; I201-F206 HydrophobicContact CD1-CE2 4.45Å; I201-F206 HydrophobicContact CG2-CE2 3.82Å; I201-F206 HydrophobicContact CG2-CZ 4.43Å; Y204-F206 PolarHBondContact O-N 3.08Å; F206-N208 PolarHBondContact O-N 3.43Å; F206-L209 HydrophobicContact CB-CD1 4.12Å; F206-L209 HydrophobicContact CB-CG 4.45Å; F206-L209 HydrophobicContact CD1-CD1 3.94Å; F206-L209 HydrophobicContact CG-CD1 4.5Å; F206-L209 WeakPolarHBondContact O-CB 3.43Å; F206-L209 PolarHBondContact O-N 2.9Å; F206-L215 HydrophobicContact CD2-CD2 4.16Å; F206-L215 HydrophobicContact CE1-CD1 4.39Å; F206-L215 HydrophobicContact CE1-CD2 4.45Å; F206-L215 HydrophobicContact CE2-CD2 3.91Å; F206-L215 HydrophobicContact CZ-CD1 4.44Å; F206-L215 HydrophobicContact CZ-CD2 4.06Å; F206-L217 HydrophobicContact CZ-CD1 4.4Å; F206-F230 HydrophobicContact CD2-CD1 4.08Å; F206-F230 HydrophobicContact CD2-CE1 4.49Å; F206-F230 HydrophobicContact CE2-CD1 4.14Å; F206-F230 HydrophobicContact CE2-CE1 4.09Å; F206-L233 HydrophobicContact CB-CD1 4Å; F206-L233 HydrophobicContact CB-CD2 3.66Å; F206-L233 HydrophobicContact CB-CG 3.88Å; F206-L233 HydrophobicContact CD2-CD1 4.08Å; F206-L233 HydrophobicContact CG-CD1 4.25Å
207	G	94.3	Very high	97.8	Very high	30 Å²	30	40.6 Å²	40.6	31%	0.309	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-6	-160.2	0	0	0	0	0	118.4	Y204 D231	Y204-G207 PolarHBondContact O-N 2.98Å; G207-D231 WeakPolarHBondContact CA-O 3.43Å
208	N	94.4	Very high	97.8	Very high	78 Å²	78	38.1 Å²	38.1	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-3.2	174.7	-81.2	103.6	0	0	0	113.9	R183 S186 F206 S210	R183-N208 HydrophobicContact CG-CB 4.47Å; S186-N208 WeakPolarHBondContact CA-O 3.44Å; S186-N208 WeakPolarHBondContact CB-O 3.13Å; F206-N208 PolarHBondContact O-N 3.43Å; N208-S210 PolarHBondContact O-N 3.01Å
209	L	97.4	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.			trans	-83.2	53.4	-179.6	-56.5	-174.6	0	0	0	111.4	F182 L185 L188 M191 F206 S211 L212 L233	F182-L209 HydrophobicContact CB-CD1 4.4Å; F182-L209 HydrophobicContact CB-CD2 4.34Å; F182-L209 VanDerWaalsContact O-CD2 3.28Å; F182-L209 WeakPolarHBondContact O-CD2 3.27Å; L185-L209 HydrophobicContact CB-CD2 3.78Å; L185-L209 VanDerWaalsContact O-CD2 3.24Å; L185-L209 WeakPolarHBondContact O-CD2 3.35Å; L188-L209 HydrophobicContact CB-CD2 4.44Å; L188-L209 HydrophobicContact CD2-CD1 4.47Å; L188-L209 HydrophobicContact CD2-CD2 4.45Å; M191-L209 HydrophobicContact CE-CD1 3.67Å; M191-L209 HydrophobicContact SD-CD1 4.42Å; F206-L209 HydrophobicContact CB-CD1 4.12Å; F206-L209 HydrophobicContact CB-CG 4.45Å; F206-L209 HydrophobicContact CD1-CD1 3.94Å; F206-L209 HydrophobicContact CG-CD1 4.5Å; F206-L209 WeakPolarHBondContact O-CB 3.43Å; F206-L209 PolarHBondContact O-N 2.9Å; L209-S211 PolarHBondContact O-N 2.68Å; L209-S211 VanDerWaalsContact O-N 3.13Å; L209-L212 HydrophobicContact CB-CB 4.11Å; L209-L212 HydrophobicContact CB-CD2 4.49Å; L209-L212 HydrophobicContact CD1-CD2 4.16Å; L209-L212 VanDerWaalsContact O-CB 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.11Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L209-L233 HydrophobicContact CB-CD2 3.83Å
210	S	96.3	Very high	97.9	Very high	51 Å²	51	36.9 Å²	36.9	36%	0.357	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.9	-171.5	54.9	0	0	0	0	115.1	N208 S235	N208-S210 PolarHBondContact O-N 3.01Å; S210-S235 WeakPolarHBondContact O-CB 3.49Å; S210-S235 PolarHBondContact O-OG 2.89Å
211	S	98.2	Very high	97.9	Very high	42 Å²	42	40.7 Å²	40.7	29%	0.294	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.7	-179.6	-48.7	0	0	0	0	113.6	S186 L188 L209 V213	S186-S211 VanDerWaalsContact O-CB 3.32Å; S186-S211 WeakPolarHBondContact O-CB 3.49Å; S186-S211 PolarHBondContact O-OG 3.03Å; L188-S211 CarbonylContact O-C 3.11Å; L209-S211 PolarHBondContact O-N 2.68Å; L209-S211 VanDerWaalsContact O-N 3.13Å; S211-V213 PolarHBondContact O-N 3.11Å
212	L	98.6	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.			trans	-72.7	127.1	-174.3	-162.9	75.4	0	0	0	110.4	L188 M191 L209 L215 L233 S235 L236	L188-L212 HydrophobicContact CB-CD1 4.25Å; L188-L212 HydrophobicContact CD2-CD1 4.05Å; L188-L212 HydrophobicContact CG-CD1 3.96Å; L188-L212 WeakPolarHBondContact O-CA 3.32Å; L188-L212 PolarHBondContact O-N 3.3Å; M191-L212 HydrophobicContact CB-CD1 3.96Å; M191-L212 HydrophobicContact CE-CD2 4.43Å; L209-L212 HydrophobicContact CB-CB 4.11Å; L209-L212 HydrophobicContact CB-CD2 4.49Å; L209-L212 HydrophobicContact CD1-CD2 4.16Å; L209-L212 VanDerWaalsContact O-CB 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.11Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L212-L215 HydrophobicContact CD2-CB 3.98Å; L212-L215 HydrophobicContact CD2-CD1 4.33Å; L212-L215 HydrophobicContact CD2-CD2 4.42Å; L212-L215 HydrophobicContact CD2-CG 4.48Å; L212-L233 HydrophobicContact CB-CD2 4Å; L212-L233 HydrophobicContact CD2-CD2 3.74Å; L212-S235 CarbonylContact O-C 3.58Å; L212-L236 HydrophobicContact CB-CD1 4.37Å; L212-L236 HydrophobicContact CD2-CD1 4.03Å; L212-L236 HydrophobicContact CG-CD1 4.05Å; L212-L236 VanDerWaalsContact O-CA 3.25Å; L212-L236 WeakPolarHBondContact O-CA 3.38Å; L212-L236 PolarHBondContact O-N 3.29Å; L212-L236 VanDerWaalsContact O-N 3.08Å
213	V	98.7	Very high	97.9	Very high	44 Å²	44	43.7 Å²	43.7	27%	0.267	23%	0.225	S	C	.	.			trans	-105.2	-39.1	-178.7	-178.3	0	0	0	0	110.7	Q189 S211 E237 T238	Q189-V213 WeakPolarHBondContact O-CA 3.39Å; Q189-V213 PolarHBondContact O-N 3.46Å; S211-V213 PolarHBondContact O-N 3.11Å; V213-E237 HydrophobicContact CG1-CB 3.92Å; V213-E237 HydrophobicContact CG1-CG 3.89Å; V213-E237 PolarHBondContact O-N 3.45Å; V213-T238 PolarHBondContact O-N 3.4Å
214	V	98.8	Very high	97.8	Very high	40 Å²	40	42.8 Å²	42.8	24%	0.242	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	-176.2	-177.9	0	0	0	0	110.6	Q189 A190 M191 H216 T238	Q189-V214 PolarHBondContact O-N 3.09Å; A190-V214 WeakPolarHBondContact CA-O 3.32Å; A190-V214 HydrophobicContact CB-CB 4.2Å; M191-V214 PolarHBondContact N-O 3.38Å; V214-H216 VanDerWaalsContact CG1-NE2 3.27Å; V214-H216 WeakPolarHBondContact CG1-NE2 3.29Å; V214-T238 HydrophobicContact CG1-CG2 4.45Å
215	L	98.8	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111.4	175.5	177.8	56.2	0	0	0	111	M191 F206 L212 L217 F230 L233 L236 T238 L239 D240	M191-L215 HydrophobicContact CB-CD1 4.49Å; M191-L215 HydrophobicContact CE-CD1 3.72Å; M191-L215 WeakPolarHBondContact O-CA 3.47Å; F206-L215 HydrophobicContact CD2-CD2 4.16Å; F206-L215 HydrophobicContact CE1-CD1 4.39Å; F206-L215 HydrophobicContact CE1-CD2 4.45Å; F206-L215 HydrophobicContact CE2-CD2 3.91Å; F206-L215 HydrophobicContact CZ-CD1 4.44Å; F206-L215 HydrophobicContact CZ-CD2 4.06Å; L212-L215 HydrophobicContact CD2-CB 3.98Å; L212-L215 HydrophobicContact CD2-CD1 4.33Å; L212-L215 HydrophobicContact CD2-CD2 4.42Å; L212-L215 HydrophobicContact CD2-CG 4.48Å; L215-L217 HydrophobicContact CD1-CD1 4.31Å; L215-L217 HydrophobicContact CD1-CG 4.22Å; L215-L217 HydrophobicContact CD2-CD1 3.95Å; L215-L217 HydrophobicContact CG-CD1 3.93Å; L215-L217 HydrophobicContact CG-CG 4.23Å; L215-F230 HydrophobicContact CD2-CD1 4.45Å; L215-F230 HydrophobicContact CD2-CE1 4.33Å; L215-L233 HydrophobicContact CD2-CD1 3.78Å; L215-L236 HydrophobicContact CB-CD1 3.83Å; L215-L236 HydrophobicContact CB-CD2 4.43Å; L215-T238 PolarHBondContact N-O 2.8Å; L215-L239 HydrophobicContact CB-CD1 4.28Å; L215-L239 HydrophobicContact CD2-CD1 4.08Å; L215-L239 HydrophobicContact CG-CD1 4.17Å; L215-D240 PolarHBondContact O-N 3.28Å
216	H	98.9	Very high	97.7	Very high	59 Å²	59	39.4 Å²	39.4	27%	0.273	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.3	176	-65.7	-175.2	0	0	0	111.4	M191 L193 V214	M191-H216 PolarHBondContact O-N 3.04Å; L193-H216 PolarHBondContact N-O 3.31Å; V214-H216 VanDerWaalsContact CG1-NE2 3.27Å; V214-H216 WeakPolarHBondContact CG1-NE2 3.29Å
217	L	98.8	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.			trans	-128.9	12.5	179.2	-72.5	158.4	0	0	0	111.8	I177 L193 I198 I201 F206 L215 N220 I222 F230 L239 D240 L241 N244	I177-L217 HydrophobicContact CD1-CD2 4.07Å; L193-L217 HydrophobicContact CB-CD2 4Å; L193-L217 HydrophobicContact CD1-CD2 4.17Å; I198-L217 HydrophobicContact CD1-CD2 4.43Å; I201-L217 HydrophobicContact CD1-CD1 3.65Å; I201-L217 HydrophobicContact CD1-CD2 4.2Å; F206-L217 HydrophobicContact CZ-CD1 4.4Å; L215-L217 HydrophobicContact CD1-CD1 4.31Å; L215-L217 HydrophobicContact CD1-CG 4.22Å; L215-L217 HydrophobicContact CD2-CD1 3.95Å; L215-L217 HydrophobicContact CG-CD1 3.93Å; L215-L217 HydrophobicContact CG-CG 4.23Å; L217-N220 WeakPolarHBondContact O-CB 3.43Å; L217-N220 PolarHBondContact O-ND2 3.27Å; L217-I222 HydrophobicContact CB-CD1 4.04Å; L217-I222 HydrophobicContact CD2-CD1 4.46Å; L217-F230 HydrophobicContact CD1-CE1 4.29Å; L217-L239 HydrophobicContact CD1-CD1 4.43Å; L217-D240 CarbonylContact C-O 3.5Å; L217-D240 WeakPolarHBondContact CA-O 3.49Å; L217-D240 WeakPolarHBondContact CB-O 3.31Å; L217-D240 PolarHBondContact N-O 3.22Å; L217-L241 HydrophobicContact CB-CD2 3.99Å; L217-L241 HydrophobicContact CD1-CD2 3.86Å; L217-N244 PolarHBondContact O-ND2 3.1Å; L217-N244 VanDerWaalsContact O-ND2 3.08Å
218	H	98.6	Very high	97.8	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.185	25%	0.253	C	S	.	.			trans	-66.4	161.2	-176.4	69.7	88.7	0	0	0	114.1	A194 L195 N220 D240 N242	A194-H218 CarbonylContact C-O 3.53Å; A194-H218 WeakPolarHBondContact CA-O 3.05Å; A194-H218 WeakPolarHBondContact CB-NE2 3.13Å; A194-H218 VanDerWaalsContact CB-O 3.3Å; A194-H218 WeakPolarHBondContact CB-O 3.35Å; L195-H218 PolarHBondContact N-O 3.01Å; H218-N220 VanDerWaalsContact C-N 3.29Å; H218-N220 PolarHBondContact O-N 2.9Å; H218-N220 PolarHBondContact O-ND2 2.85Å; H218-D240 IonicContact CD2-OD2 2.63Å; H218-D240 PolarHBondContact CD2-OD2 2.87Å; H218-D240 IonicContact CG-OD2 3.31Å; H218-D240 PolarHBondContact N-O 3.2Å; H218-N242 WeakPolarHBondContact CA-O 3.28Å; H218-N242 HydrophobicContact CB-CB 4.17Å; H218-N242 VanDerWaalsContact CB-O 3.25Å; H218-N242 WeakPolarHBondContact CB-O 3.49Å
219	N	98.6	Very high	98	Very high	67 Å²	67	46 Å²	46	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	52.4	46.8	-176.1	-65.5	-48.2	0	0	0	112.3	L195 N196 N242 Y243	L195-N219 VanDerWaalsContact CA-O 3.23Å; L195-N219 WeakPolarHBondContact CA-O 3.34Å; L195-N219 HydrophobicContact CD1-CB 3.96Å; L195-N219 HydrophobicContact CG-CB 3.92Å; L195-N219 PolarHBondContact N-O 2.73Å; N196-N219 PolarHBondContact N-O 2.63Å; N219-N242 PolarHBondContact N-O 3.36Å; N219-N242 VanDerWaalsContact N-O 3.16Å; N219-Y243 VanDerWaalsContact CA-O 3.27Å; N219-Y243 WeakPolarHBondContact CA-O 3.38Å; N219-Y243 PolarHBondContact N-O 3.17Å; N219-Y243 WeakPolarHBondContact OD1-CB 3.39Å
220	N	98.8	Very high	98	Very high	11 Å²	11	46 Å²	46	6%	0.059	23%	0.233	C	C	.	.	S	Bend	trans	-113.5	-160.7	171.7	-90	-81.6	0	0	0	109.5	L193 N196 K197 I198 L217 H218 I222 Y243 N244	L193-N220 PolarHBondContact O-ND2 3.02Å; N196-N220 WeakPolarHBondContact CA-OD1 3.34Å; N196-N220 WeakPolarHBondContact CB-OD1 3.42Å; N196-N220 PolarHBondContact O-OD1 2.99Å; K197-N220 PolarHBondContact N-OD1 3.28Å; I198-N220 HydrophobicContact CB-CB 4.46Å; I198-N220 VanDerWaalsContact CB-OD1 3.31Å; I198-N220 WeakPolarHBondContact CB-OD1 3.47Å; I198-N220 PolarHBondContact N-OD1 3.19Å; L217-N220 WeakPolarHBondContact O-CB 3.43Å; L217-N220 PolarHBondContact O-ND2 3.27Å; H218-N220 VanDerWaalsContact C-N 3.29Å; H218-N220 PolarHBondContact O-N 2.9Å; H218-N220 PolarHBondContact O-ND2 2.85Å; N220-I222 HydrophobicContact CB-CD1 4.13Å; N220-I222 HydrophobicContact CB-CG1 3.98Å; N220-Y243 PolarHBondContact N-O 3.07Å; N220-N244 WeakPolarHBondContact CA-OD1 3.45Å; N220-N244 WeakPolarHBondContact CB-OD1 3.36Å
221	R	98.3	Very high	98.1	Very high	148 Å²	148	44.7 Å²	44.7	56%	0.558	22%	0.222	S	C	*	.			trans	-124.7	27.2	-179.7	-58.2	-179.6	-177.9	-165.9	-5.6	111	I198 H199 H223 N244 N245	I198-R221 CarbonylContact O-C 3.54Å; I198-R221 WeakPolarHBondContact O-CA 3.17Å; I198-R221 PolarHBondContact O-N 3.38Å; H199-R221 WeakPolarHBondContact CA-O 3.49Å; R221-H223 PolarHBondContact O-N 3.28Å; R221-N244 PolarHBondContact N-OD1 3.12Å; R221-N245 WeakPolarHBondContact CA-OD1 3.23Å
222	I	98.6	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.			trans	-67.2	110.7	-169.3	-58	163.5	0	0	0	108.2	I198 I201 L217 N220 L225 L241 N244 N245 L246	I198-I222 HydrophobicContact CG2-CG1 4.25Å; I198-I222 WeakPolarHBondContact O-CG1 3.42Å; I198-I222 PolarHBondContact O-N 2.88Å; I198-I222 VanDerWaalsContact O-N 3.16Å; I201-I222 HydrophobicContact CD1-CD1 3.94Å; I201-I222 HydrophobicContact CG1-CD1 4.42Å; I201-I222 HydrophobicContact CG1-CG2 4.44Å; L217-I222 HydrophobicContact CB-CD1 4.04Å; L217-I222 HydrophobicContact CD2-CD1 4.46Å; N220-I222 HydrophobicContact CB-CD1 4.13Å; N220-I222 HydrophobicContact CB-CG1 3.98Å; I222-L225 HydrophobicContact CG2-CD2 3.69Å; I222-L225 HydrophobicContact CG2-CG 4.26Å; I222-L241 HydrophobicContact CD1-CD2 4.23Å; I222-N244 HydrophobicContact CB-CB 4.33Å; I222-N244 VanDerWaalsContact CB-OD1 3.28Å; I222-N244 WeakPolarHBondContact CB-OD1 3.25Å; I222-N244 WeakPolarHBondContact CD1-OD1 3.1Å; I222-N244 VanDerWaalsContact CG1-OD1 3.26Å; I222-N244 WeakPolarHBondContact CG1-OD1 3.3Å; I222-N244 PolarHBondContact N-OD1 3.05Å; I222-N245 CarbonylContact O-C 3.05Å; I222-N245 WeakPolarHBondContact O-CA 3.09Å; I222-N245 PolarHBondContact O-N 3.03Å; I222-L246 HydrophobicContact CG2-CD2 3.83Å; I222-L246 PolarHBondContact O-N 3.31Å; I222-L246 VanDerWaalsContact O-N 3.13Å
223	H	97.1	Very high	97.9	Very high	111 Å²	111	43.5 Å²	43.5	51%	0.514	22%	0.215	S	C	.	.			trans	-101.6	-26.5	-179.9	-174.8	-23.7	0	0	0	111.1	H199 R221 N245 D247	H199-H223 PolarHBondContact O-N 3.05Å; R221-H223 PolarHBondContact O-N 3.28Å; H223-N245 WeakPolarHBondContact CA-O 3.37Å; H223-D247 IonicContact CE1-OD2 3.15Å; H223-D247 PolarHBondContact CE1-OD2 2.97Å; H223-D247 IonicContact ND1-OD2 3.56Å; H223-D247 IonicContact NE2-OD2 3.93Å
224	S	96.4	Very high	97.8	Very high	53 Å²	53	47.2 Å²	47.2	37%	0.371	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.2	-176.5	59.1	0	0	0	0	113.2	H200 I201	H200-S224 WeakPolarHBondContact CA-O 3.18Å; H200-S224 PolarHBondContact ND1-O 3.03Å; H200-S224 PolarHBondContact ND1-OG 3.41Å; I201-S224 PolarHBondContact N-O 3.15Å
225	L	98.1	Very high	97.7	Very high	38 Å²	38	47.5 Å²	47.5	20%	0.199	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	179.1	-63.6	174	0	0	0	109.5	I201 I222 F230 L241 L246 P250	I201-L225 HydrophobicContact CB-CD2 3.75Å; I201-L225 HydrophobicContact CD1-CD2 3.77Å; I201-L225 HydrophobicContact CG1-CD2 3.8Å; I222-L225 HydrophobicContact CG2-CD2 3.69Å; I222-L225 HydrophobicContact CG2-CG 4.26Å; L225-F230 HydrophobicContact CD1-CE2 4.49Å; L225-L241 HydrophobicContact CD1-CD1 4.45Å; L225-L246 HydrophobicContact CD1-CD1 4.49Å; L225-L246 HydrophobicContact CD1-CD2 3.89Å; L225-L246 HydrophobicContact CG-CD2 3.9Å; L225-P250 HydrophobicContact CD1-CB 3.6Å
226	G	96.4	Very high	97.7	Very high	13 Å²	13	47.5 Å²	47.5	13%	0.134	23%	0.233	C	C	.	.			trans	-61.5	146.8	164.8	0	0	0	0	0	111.1	I201 D203 K228 C229 A252	I201-G226 PolarHBondContact O-N 3Å; D203-G226 WeakPolarHBondContact OD1-CA 3.43Å; G226-K228 PolarHBondContact O-N 2.86Å; G226-C229 WeakPolarHBondContact O-CB 3.38Å; G226-C229 PolarHBondContact O-N 3.4Å; G226-C229 VanDerWaalsContact O-N 3.16Å; G226-C229 PolarHBondContact O-SG 3.15Å; G226-A252 WeakPolarHBondContact O-CB 3.34Å
227	K	96.1	Very high	97.7	Very high	169 Å²	169	47.8 Å²	47.8	74%	0.735	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.6	-177.5	-64.8	-173.6	178.2	-175.9	0	113.5	D203	D203-K227 PolarHBondContact OD1-N 2.89Å
228	K	97.7	Very high	97.7	Very high	80 Å²	80	49 Å²	49	35%	0.348	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	25.1	179.1	-64.3	171.9	144.9	-85.9	0	111.3	D203 Y204 G226 F230 D231	D203-K228 HydrophobicContact CB-CB 4.13Å; D203-K228 WeakPolarHBondContact OD1-CA 3.39Å; D203-K228 PolarHBondContact OD1-N 3.49Å; Y204-K228 HydrophobicContact CE1-CB 4.34Å; Y204-K228 HydrophobicContact CE1-CD 4.31Å; Y204-K228 HydrophobicContact CE2-CD 4.42Å; Y204-K228 PolarHBondContact N-O 3.01Å; Y204-K228 WeakPolarHBondContact OH-CD 3.43Å; Y204-K228 PolarHBondContact OH-NZ 3.44Å; G226-K228 PolarHBondContact O-N 2.86Å; K228-F230 PolarHBondContact O-N 3.11Å; K228-D231 HydrophobicContact CB-CB 4.1Å; K228-D231 WeakPolarHBondContact CB-OD2 3.33Å; K228-D231 WeakPolarHBondContact CG-OD2 3.41Å; K228-D231 IonicContact NZ-OD2 3.83Å; K228-D231 PolarHBondContact NZ-OD2 3.11Å; K228-D231 WeakPolarHBondContact O-CB 3.19Å; K228-D231 PolarHBondContact O-N 2.91Å; K228-D231 VanDerWaalsContact O-N 3.13Å
229	C	98.2	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.2	-175.1	61.7	0	0	0	0	113.8	I201 P202 A205 G226 A252	I201-C229 HydrophobicContact CB-CB 4.2Å; I201-C229 HydrophobicContact CG2-CB 3.68Å; P202-C229 VanDerWaalsContact O-CA 3.26Å; P202-C229 WeakPolarHBondContact O-CA 3.31Å; P202-C229 WeakPolarHBondContact O-CB 3.48Å; A205-C229 PolarHBondContact N-O 2.86Å; G226-C229 WeakPolarHBondContact O-CB 3.38Å; G226-C229 PolarHBondContact O-N 3.4Å; G226-C229 VanDerWaalsContact O-N 3.16Å; G226-C229 PolarHBondContact O-SG 3.15Å; C229-A252 VanDerWaalsContact SG-CB 3.54Å
230	F	98.4	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	0.4	177.9	-53.4	-54.9	0	0	0	114.4	F206 L215 L217 L225 K228 G232 L233 L239 L241 A252 L256	F206-F230 HydrophobicContact CD2-CD1 4.08Å; F206-F230 HydrophobicContact CD2-CE1 4.49Å; F206-F230 HydrophobicContact CE2-CD1 4.14Å; F206-F230 HydrophobicContact CE2-CE1 4.09Å; L215-F230 HydrophobicContact CD2-CD1 4.45Å; L215-F230 HydrophobicContact CD2-CE1 4.33Å; L217-F230 HydrophobicContact CD1-CE1 4.29Å; L225-F230 HydrophobicContact CD1-CE2 4.49Å; K228-F230 PolarHBondContact O-N 3.11Å; F230-G232 PolarHBondContact O-N 3.18Å; F230-G232 VanDerWaalsContact O-N 3.12Å; F230-L233 HydrophobicContact CB-CD1 4.11Å; F230-L233 HydrophobicContact CD1-CD1 3.95Å; F230-L233 HydrophobicContact CG-CD1 4.46Å; F230-L233 WeakPolarHBondContact O-CB 3.38Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.1Å; F230-L239 HydrophobicContact CD2-CD2 4.25Å; F230-L239 HydrophobicContact CE1-CD1 4.13Å; F230-L239 HydrophobicContact CE1-CD2 4.44Å; F230-L239 HydrophobicContact CE2-CD2 3.84Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 3.95Å; F230-L241 HydrophobicContact CE2-CD1 4.47Å; F230-L241 HydrophobicContact CZ-CD1 4.22Å; F230-L241 HydrophobicContact CZ-CD2 4.3Å; F230-A252 HydrophobicContact CD2-CB 3.91Å; F230-A252 HydrophobicContact CE2-CB 4.39Å; F230-L256 HydrophobicContact CB-CD1 4.22Å; F230-L256 HydrophobicContact CB-CD2 4.06Å; F230-L256 HydrophobicContact CB-CG 4.36Å; F230-L256 HydrophobicContact CD2-CD1 4.3Å; F230-L256 HydrophobicContact CG-CD1 4.37Å
231	D	97.6	Very high	97.7	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.128	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	117.4	178	-82.5	16.6	0	0	0	110.3	Y204 G207 K228 T255	Y204-D231 HydrophobicContact CD1-CB 3.63Å; Y204-D231 HydrophobicContact CE1-CB 3.72Å; G207-D231 WeakPolarHBondContact CA-O 3.43Å; K228-D231 HydrophobicContact CB-CB 4.1Å; K228-D231 WeakPolarHBondContact CB-OD2 3.33Å; K228-D231 WeakPolarHBondContact CG-OD2 3.41Å; K228-D231 IonicContact NZ-OD2 3.83Å; K228-D231 PolarHBondContact NZ-OD2 3.11Å; K228-D231 WeakPolarHBondContact O-CB 3.19Å; K228-D231 PolarHBondContact O-N 2.91Å; K228-D231 VanDerWaalsContact O-N 3.13Å; D231-T255 WeakPolarHBondContact OD1-CB 3.25Å; D231-T255 VanDerWaalsContact OD1-CG2 3.27Å; D231-T255 WeakPolarHBondContact OD1-CG2 3.44Å; D231-T255 PolarHBondContact OD1-OG1 3.15Å
232	G	95.4	Very high	97.7	Very high	13 Å²	13	38.3 Å²	38.3	13%	0.134	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.7	-14.8	-176	0	0	0	0	0	114.6	F230 H234	F230-G232 PolarHBondContact O-N 3.18Å; F230-G232 VanDerWaalsContact O-N 3.12Å; G232-H234 PolarHBondContact O-CE1 2.74Å; G232-H234 PolarHBondContact O-N 2.93Å; G232-H234 PolarHBondContact O-ND1 3.4Å
233	L	97.8	Very high	97.7	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.219	C	C	.	.			trans	-80.7	55.8	176.6	-65.9	-177.4	0	0	0	112.6	F206 L209 L212 L215 F230 S235 L236 L256	F206-L233 HydrophobicContact CB-CD1 4Å; F206-L233 HydrophobicContact CB-CD2 3.66Å; F206-L233 HydrophobicContact CB-CG 3.88Å; F206-L233 HydrophobicContact CD2-CD1 4.08Å; F206-L233 HydrophobicContact CG-CD1 4.25Å; L209-L233 HydrophobicContact CB-CD2 3.83Å; L212-L233 HydrophobicContact CB-CD2 4Å; L212-L233 HydrophobicContact CD2-CD2 3.74Å; L215-L233 HydrophobicContact CD2-CD1 3.78Å; F230-L233 HydrophobicContact CB-CD1 4.11Å; F230-L233 HydrophobicContact CD1-CD1 3.95Å; F230-L233 HydrophobicContact CG-CD1 4.46Å; F230-L233 WeakPolarHBondContact O-CB 3.38Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.1Å; L233-S235 VanDerWaalsContact C-N 3.25Å; L233-S235 PolarHBondContact O-N 2.77Å; L233-L236 HydrophobicContact CB-CB 4.16Å; L233-L236 HydrophobicContact CD1-CD2 4.12Å; L233-L236 WeakPolarHBondContact O-CB 3.27Å; L233-L236 PolarHBondContact O-N 3.15Å; L233-L256 HydrophobicContact CB-CD2 3.8Å
234	H	95.8	Very high	97.8	Very high	123 Å²	123	38.7 Å²	38.7	57%	0.569	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.8	-170.7	-54.2	99.4	0	0	0	114.8	G232 N258	G232-H234 PolarHBondContact O-CE1 2.74Å; G232-H234 PolarHBondContact O-N 2.93Å; G232-H234 PolarHBondContact O-ND1 3.4Å; H234-N258 PolarHBondContact O-ND2 3.36Å
235	S	98.1	Very high	97.9	Very high	46 Å²	46	39.4 Å²	39.4	32%	0.322	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	6.9	-177.4	-56.1	0	0	0	0	114.2	S210 L212 L233 E237	S210-S235 WeakPolarHBondContact O-CB 3.49Å; S210-S235 PolarHBondContact O-OG 2.89Å; L212-S235 CarbonylContact O-C 3.58Å; L233-S235 VanDerWaalsContact C-N 3.25Å; L233-S235 PolarHBondContact O-N 2.77Å; S235-E237 PolarHBondContact O-N 3.14Å
236	L	98.6	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.			trans	-72.8	126.1	-169.4	-156.6	79	0	0	0	111.9	L212 L215 L233 L239 L256 N258 L259	L212-L236 HydrophobicContact CB-CD1 4.37Å; L212-L236 HydrophobicContact CD2-CD1 4.03Å; L212-L236 HydrophobicContact CG-CD1 4.05Å; L212-L236 VanDerWaalsContact O-CA 3.25Å; L212-L236 WeakPolarHBondContact O-CA 3.38Å; L212-L236 PolarHBondContact O-N 3.29Å; L212-L236 VanDerWaalsContact O-N 3.08Å; L215-L236 HydrophobicContact CB-CD1 3.83Å; L215-L236 HydrophobicContact CB-CD2 4.43Å; L233-L236 HydrophobicContact CB-CB 4.16Å; L233-L236 HydrophobicContact CD1-CD2 4.12Å; L233-L236 WeakPolarHBondContact O-CB 3.27Å; L233-L236 PolarHBondContact O-N 3.15Å; L236-L239 HydrophobicContact CD2-CB 3.95Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L236-L256 HydrophobicContact CB-CD2 4.22Å; L236-L256 HydrophobicContact CD2-CD1 4.01Å; L236-L256 HydrophobicContact CD2-CD2 4.2Å; L236-N258 CarbonylContact O-C 3.58Å; L236-L259 HydrophobicContact CD2-CD1 4.35Å; L236-L259 WeakPolarHBondContact O-CA 3.4Å; L236-L259 PolarHBondContact O-N 3.01Å
237	E	98.6	Very high	97.9	Very high	65 Å²	65	40 Å²	40	30%	0.304	20%	0.195	S	C	.	.			trans	-111	-32.7	178.4	-60.2	-167	161.7	0	0	112.4	V213 S235 K260 E261	V213-E237 HydrophobicContact CG1-CB 3.92Å; V213-E237 HydrophobicContact CG1-CG 3.89Å; V213-E237 PolarHBondContact O-N 3.45Å; S235-E237 PolarHBondContact O-N 3.14Å; E237-K260 HydrophobicContact CB-CD 4.26Å; E237-K260 HydrophobicContact CB-CG 4.41Å; E237-K260 HydrophobicContact CG-CD 4.38Å; E237-K260 PolarHBondContact O-N 3.36Å; E237-K260 VanDerWaalsContact OE1-CE 3.32Å; E237-K260 WeakPolarHBondContact OE1-CE 3.47Å; E237-K260 IonicContact OE1-NZ 3.75Å; E237-K260 PolarHBondContact OE1-NZ 2.84Å; E237-K260 WeakPolarHBondContact OE2-CE 3.35Å; E237-K260 IonicContact OE2-NZ 3.32Å; E237-K260 PolarHBondContact OE2-NZ 2.98Å; E237-E261 PolarHBondContact O-N 3.23Å
238	T	98.8	Very high	97.9	Very high	26 Å²	26	39.6 Å²	39.6	16%	0.16	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.9	177.9	-60.1	0	0	0	0	111	V213 V214 L215 E261	V213-T238 PolarHBondContact O-N 3.4Å; V214-T238 HydrophobicContact CG1-CG2 4.45Å; L215-T238 PolarHBondContact N-O 2.8Å; T238-E261 WeakPolarHBondContact CA-O 3.48Å; T238-E261 HydrophobicContact CG2-CB 4.21Å; T238-E261 HydrophobicContact CG2-CG 4.1Å
239	L	98.8	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	172.4	177.4	60.6	0	0	0	110.4	L215 L217 F230 L236 L241 I253 L256 L259 E261 L262 G263	L215-L239 HydrophobicContact CB-CD1 4.28Å; L215-L239 HydrophobicContact CD2-CD1 4.08Å; L215-L239 HydrophobicContact CG-CD1 4.17Å; L217-L239 HydrophobicContact CD1-CD1 4.43Å; F230-L239 HydrophobicContact CD2-CD2 4.25Å; F230-L239 HydrophobicContact CE1-CD1 4.13Å; F230-L239 HydrophobicContact CE1-CD2 4.44Å; F230-L239 HydrophobicContact CE2-CD2 3.84Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 3.95Å; L236-L239 HydrophobicContact CD2-CB 3.95Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L239-L241 HydrophobicContact CD1-CG 4.33Å; L239-L241 HydrophobicContact CD2-CD1 4.13Å; L239-L241 HydrophobicContact CG-CD1 4.32Å; L239-L241 HydrophobicContact CG-CG 4.26Å; L239-I253 HydrophobicContact CD2-CG2 4.02Å; L239-L256 HydrophobicContact CD2-CD1 3.86Å; L239-L259 HydrophobicContact CB-CD1 3.8Å; L239-E261 PolarHBondContact N-O 3.39Å; L239-L262 HydrophobicContact CB-CD1 4.32Å; L239-L262 HydrophobicContact CD2-CD1 4.16Å; L239-L262 HydrophobicContact CG-CD1 4.33Å; L239-G263 PolarHBondContact O-N 3.37Å
240	D	98.8	Very high	97.8	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.7	177.7	-175.5	-3.1	0	0	0	111.8	L215 L217 H218 N242	L215-D240 PolarHBondContact O-N 3.28Å; L217-D240 CarbonylContact C-O 3.5Å; L217-D240 WeakPolarHBondContact CA-O 3.49Å; L217-D240 WeakPolarHBondContact CB-O 3.31Å; L217-D240 PolarHBondContact N-O 3.22Å; H218-D240 IonicContact CD2-OD2 2.63Å; H218-D240 PolarHBondContact CD2-OD2 2.87Å; H218-D240 IonicContact CG-OD2 3.31Å; H218-D240 PolarHBondContact N-O 3.2Å; D240-N242 WeakPolarHBondContact OD1-CB 3.4Å; D240-N242 PolarHBondContact OD1-N 3.21Å; D240-N242 PolarHBondContact OD1-ND2 3.24Å
241	L	98.7	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.			trans	-115.5	15.9	173.1	-62.1	165.5	0	0	0	112.3	L217 I222 L225 F230 L239 N244 L246 P250 G263 F264 N267	L217-L241 HydrophobicContact CB-CD2 3.99Å; L217-L241 HydrophobicContact CD1-CD2 3.86Å; I222-L241 HydrophobicContact CD1-CD2 4.23Å; L225-L241 HydrophobicContact CD1-CD1 4.45Å; F230-L241 HydrophobicContact CE2-CD1 4.47Å; F230-L241 HydrophobicContact CZ-CD1 4.22Å; F230-L241 HydrophobicContact CZ-CD2 4.3Å; L239-L241 HydrophobicContact CD1-CG 4.33Å; L239-L241 HydrophobicContact CD2-CD1 4.13Å; L239-L241 HydrophobicContact CG-CD1 4.32Å; L239-L241 HydrophobicContact CG-CG 4.26Å; L241-N244 PolarHBondContact O-ND2 3.22Å; L241-N244 VanDerWaalsContact O-ND2 3.1Å; L241-L246 HydrophobicContact CB-CD1 4.28Å; L241-L246 HydrophobicContact CD1-CD1 4.37Å; L241-P250 HydrophobicContact CD1-CB 4.34Å; L241-G263 WeakPolarHBondContact CA-O 3.46Å; L241-G263 WeakPolarHBondContact CB-O 3.43Å; L241-G263 PolarHBondContact N-O 2.87Å; L241-F264 HydrophobicContact CB-CB 4.33Å; L241-N267 PolarHBondContact O-ND2 3.12Å
242	N	98.6	Very high	97.8	Very high	16 Å²	16	39.7 Å²	39.7	9%	0.086	20%	0.204	C	C	.	.			trans	-59.4	153.8	-178.7	-61.2	-38.4	0	0	0	111.9	H218 N219 D240 N244 G263 F264 H265	H218-N242 WeakPolarHBondContact CA-O 3.28Å; H218-N242 HydrophobicContact CB-CB 4.17Å; H218-N242 VanDerWaalsContact CB-O 3.25Å; H218-N242 WeakPolarHBondContact CB-O 3.49Å; N219-N242 PolarHBondContact N-O 3.36Å; N219-N242 VanDerWaalsContact N-O 3.16Å; D240-N242 WeakPolarHBondContact OD1-CB 3.4Å; D240-N242 PolarHBondContact OD1-N 3.21Å; D240-N242 PolarHBondContact OD1-ND2 3.24Å; N242-N244 PolarHBondContact O-ND2 3.23Å; N242-N244 VanDerWaalsContact O-ND2 3.12Å; N242-G263 WeakPolarHBondContact OD1-CA 3.46Å; N242-F264 PolarHBondContact OD1-N 3.42Å; N242-H265 CarbonylContact C-O 3.09Å; N242-H265 WeakPolarHBondContact CA-O 3.32Å; N242-H265 PolarHBondContact ND2-CD2 3.26Å; N242-H265 PolarHBondContact OD1-CD2 3.29Å; N242-H265 VanDerWaalsContact OD1-CG 3.32Å; N242-H265 PolarHBondContact OD1-N 3.23Å
243	Y	98.6	Very high	97.9	Very high	115 Å²	115	39.1 Å²	39.1	45%	0.451	20%	0.197	S	C	.	.	S	Bend	trans	51	64.3	179.9	-58.7	-71.8	0	0	0	112.9	N219 N220 H265 S266	N219-Y243 VanDerWaalsContact CA-O 3.27Å; N219-Y243 WeakPolarHBondContact CA-O 3.38Å; N219-Y243 PolarHBondContact N-O 3.17Å; N219-Y243 WeakPolarHBondContact OD1-CB 3.39Å; N220-Y243 PolarHBondContact N-O 3.07Å; Y243-H265 AromaticContact CE2-CE1 3.4Å; Y243-H265 VanDerWaalsContact CE2-CE1 3.4Å; Y243-H265 WeakPolarHBondContact CE2-CE1 3.41Å; Y243-H265 AromaticContact CZ-CE1 3.53Å; Y243-H265 PolarHBondContact N-O 3.35Å; Y243-S266 WeakPolarHBondContact CA-O 3.14Å; Y243-S266 VanDerWaalsContact CD1-CB 3.42Å; Y243-S266 WeakPolarHBondContact CE1-OG 3.3Å
244	N	98.8	Very high	97.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	23%	0.228	C	C	.	.	S	Bend	trans	-136.1	-166.4	178	-89.6	-76.9	0	0	0	110	L217 N220 R221 I222 L241 N242 S266 N267	L217-N244 PolarHBondContact O-ND2 3.1Å; L217-N244 VanDerWaalsContact O-ND2 3.08Å; N220-N244 WeakPolarHBondContact CA-OD1 3.45Å; N220-N244 WeakPolarHBondContact CB-OD1 3.36Å; R221-N244 PolarHBondContact N-OD1 3.12Å; I222-N244 HydrophobicContact CB-CB 4.33Å; I222-N244 VanDerWaalsContact CB-OD1 3.28Å; I222-N244 WeakPolarHBondContact CB-OD1 3.25Å; I222-N244 WeakPolarHBondContact CD1-OD1 3.1Å; I222-N244 VanDerWaalsContact CG1-OD1 3.26Å; I222-N244 WeakPolarHBondContact CG1-OD1 3.3Å; I222-N244 PolarHBondContact N-OD1 3.05Å; L241-N244 PolarHBondContact O-ND2 3.22Å; L241-N244 VanDerWaalsContact O-ND2 3.1Å; N242-N244 PolarHBondContact O-ND2 3.23Å; N242-N244 VanDerWaalsContact O-ND2 3.12Å; N244-S266 PolarHBondContact N-O 2.86Å; N244-N267 WeakPolarHBondContact CA-OD1 3.21Å; N244-N267 WeakPolarHBondContact CB-OD1 3.39Å; N244-N267 PolarHBondContact N-ND2 3.41Å; N244-N267 PolarHBondContact O-OD1 3.47Å
245	N	98.3	Very high	97.9	Very high	67 Å²	67	45 Å²	45	36%	0.358	22%	0.223	S	C	.	.			trans	-122.7	31.9	-176.3	-55.1	132.8	0	0	0	112.4	R221 I222 H223 D247 N267	R221-N245 WeakPolarHBondContact CA-OD1 3.23Å; I222-N245 CarbonylContact O-C 3.05Å; I222-N245 WeakPolarHBondContact O-CA 3.09Å; I222-N245 PolarHBondContact O-N 3.03Å; H223-N245 WeakPolarHBondContact CA-O 3.37Å; N245-D247 PolarHBondContact O-N 2.77Å; N245-N267 PolarHBondContact N-OD1 3.24Å
246	L	98.3	Very high	97.9	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.208	C	C	.	.			trans	-67.3	119.4	-179.8	-62.6	172.6	0	0	0	110.4	I222 L225 L241 N267 N268 I269	I222-L246 HydrophobicContact CG2-CD2 3.83Å; I222-L246 PolarHBondContact O-N 3.31Å; I222-L246 VanDerWaalsContact O-N 3.13Å; L225-L246 HydrophobicContact CD1-CD1 4.49Å; L225-L246 HydrophobicContact CD1-CD2 3.89Å; L225-L246 HydrophobicContact CG-CD2 3.9Å; L241-L246 HydrophobicContact CB-CD1 4.28Å; L241-L246 HydrophobicContact CD1-CD1 4.37Å; L246-N267 HydrophobicContact CB-CB 4.33Å; L246-N267 VanDerWaalsContact CB-OD1 3.3Å; L246-N267 WeakPolarHBondContact CB-OD1 3.42Å; L246-N267 WeakPolarHBondContact CG-OD1 3.44Å; L246-N267 PolarHBondContact N-OD1 2.87Å; L246-N268 CarbonylContact O-C 3.48Å; L246-N268 VanDerWaalsContact O-C 3.24Å; L246-N268 VanDerWaalsContact O-CA 3.27Å; L246-N268 WeakPolarHBondContact O-CA 3.33Å; L246-N268 WeakPolarHBondContact O-CB 3.24Å; L246-N268 PolarHBondContact O-N 2.9Å; L246-I269 HydrophobicContact CB-CD1 4.01Å; L246-I269 HydrophobicContact CB-CG1 3.95Å; L246-I269 HydrophobicContact CD1-CD1 4.4Å; L246-I269 WeakPolarHBondContact O-CG1 3.15Å; L246-I269 PolarHBondContact O-N 2.65Å; L246-I269 VanDerWaalsContact O-N 3.11Å
247	D	95.3	Very high	97.8	Very high	59 Å²	59	46 Å²	46	32%	0.316	23%	0.229	S	C	.	.			trans	-86.2	-24.4	174.4	-67.3	-28.3	0	0	0	113	H223 N245 N268	H223-D247 IonicContact CE1-OD2 3.15Å; H223-D247 PolarHBondContact CE1-OD2 2.97Å; H223-D247 IonicContact ND1-OD2 3.56Å; H223-D247 IonicContact NE2-OD2 3.93Å; N245-D247 PolarHBondContact O-N 2.77Å; D247-N268 WeakPolarHBondContact OD1-CB 3.43Å; D247-N268 PolarHBondContact OD1-ND2 3.13Å
248	E	96.4	Very high	97.8	Very high	162 Å²	162	46.4 Å²	46.4	76%	0.757	23%	0.234	S	C	*	.	S	Bend	trans	-121.7	152.5	-176.7	-68.6	-171	179.9	0	0	111.9
249	F	97.8	Very high	97.7	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	23%	0.226	C	C	.	.			trans	-59.1	134.1	175.1	179.7	-93.2	0	0	0	111.8	T251 I253 F264 I269 I272 P273 A276 F277	F249-T251 VanDerWaalsContact C-N 3.28Å; F249-T251 HydrophobicContact CD1-CG2 4.08Å; F249-T251 PolarHBondContact O-N 3.38Å; F249-I253 HydrophobicContact CE1-CD1 4.11Å; F249-I253 HydrophobicContact CE1-CG1 4.43Å; F249-I253 HydrophobicContact CZ-CD1 3.67Å; F249-I253 HydrophobicContact CZ-CG1 4.46Å; F249-F264 HydrophobicContact CD2-CE2 4.48Å; F249-F264 HydrophobicContact CD2-CZ 4.27Å; F249-F264 HydrophobicContact CE2-CE1 4.38Å; F249-F264 AromaticContact CE2-CZ 3.91Å; F249-F264 HydrophobicContact CE2-CZ 3.91Å; F249-I269 HydrophobicContact CB-CG2 4.41Å; F249-I272 HydrophobicContact CD2-CG2 4.35Å; F249-I272 HydrophobicContact CE2-CG2 4.21Å; F249-P273 HydrophobicContact CB-CG 4.23Å; F249-P273 HydrophobicContact CD1-CG 3.66Å; F249-P273 HydrophobicContact CE1-CG 4.21Å; F249-P273 VanDerWaalsContact CG-CD 3.42Å; F249-P273 HydrophobicContact CG-CG 3.96Å; F249-A276 HydrophobicContact CE1-CB 3.94Å; F249-A276 HydrophobicContact CE2-CB 4.09Å; F249-A276 HydrophobicContact CZ-CB 3.6Å; F249-F277 AromaticContact CE2-CE1 3.77Å; F249-F277 HydrophobicContact CE2-CE1 3.77Å; F249-F277 AromaticContact CE2-CZ 3.7Å; F249-F277 HydrophobicContact CE2-CZ 3.7Å; F249-F277 HydrophobicContact CZ-CD1 4.18Å; F249-F277 AromaticContact CZ-CE1 3.65Å; F249-F277 HydrophobicContact CZ-CE1 3.65Å; F249-F277 AromaticContact CZ-CZ 3.96Å; F249-F277 HydrophobicContact CZ-CZ 3.96Å
250	P	97.3	Very high	97.7	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.026	24%	0.242	C	C	.	.			trans	-74.5	71.6	-173.5	31.9	-38.3	0	0	0	112.8	L225 L241 A252 I253	L225-P250 HydrophobicContact CD1-CB 3.6Å; L241-P250 HydrophobicContact CD1-CB 4.34Å; P250-A252 PolarHBondContact O-N 2.89Å; P250-I253 HydrophobicContact CB-CG2 4.34Å; P250-I253 HydrophobicContact CG-CG2 4.25Å; P250-I253 WeakPolarHBondContact O-CG1 3.22Å; P250-I253 WeakPolarHBondContact O-CG2 3.13Å; P250-I253 PolarHBondContact O-N 3.24Å
251	T	96.9	Very high	97.7	Very high	81 Å²	81	51 Å²	51	50%	0.497	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-53.8	-19.5	-175.8	54.9	0	0	0	0	115.6	F249 I253 R254	F249-T251 VanDerWaalsContact C-N 3.28Å; F249-T251 HydrophobicContact CD1-CG2 4.08Å; F249-T251 PolarHBondContact O-N 3.38Å; T251-I253 PolarHBondContact O-N 3.04Å; T251-R254 WeakPolarHBondContact O-CB 3.35Å; T251-R254 PolarHBondContact O-N 2.91Å
252	A	97.5	Very high	97.7	Very high	4 Å²	4	51 Å²	51	3%	0.033	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.5	-18.3	173.3	0	0	0	0	0	114.3	G226 C229 F230 P250 R254 T255	G226-A252 WeakPolarHBondContact O-CB 3.34Å; C229-A252 VanDerWaalsContact SG-CB 3.54Å; F230-A252 HydrophobicContact CD2-CB 3.91Å; F230-A252 HydrophobicContact CE2-CB 4.39Å; P250-A252 PolarHBondContact O-N 2.89Å; A252-R254 PolarHBondContact O-N 2.99Å; A252-R254 VanDerWaalsContact O-N 3.07Å; A252-T255 PolarHBondContact O-OG1 2.79Å
253	I	97.9	Very high	97.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61	-18.5	176.4	66.5	172.4	0	0	0	113.2	L239 F249 P250 T251 T255 L256 L262 F277 N280	L239-I253 HydrophobicContact CD2-CG2 4.02Å; F249-I253 HydrophobicContact CE1-CD1 4.11Å; F249-I253 HydrophobicContact CE1-CG1 4.43Å; F249-I253 HydrophobicContact CZ-CD1 3.67Å; F249-I253 HydrophobicContact CZ-CG1 4.46Å; P250-I253 HydrophobicContact CB-CG2 4.34Å; P250-I253 HydrophobicContact CG-CG2 4.25Å; P250-I253 WeakPolarHBondContact O-CG1 3.22Å; P250-I253 WeakPolarHBondContact O-CG2 3.13Å; P250-I253 PolarHBondContact O-N 3.24Å; T251-I253 PolarHBondContact O-N 3.04Å; I253-T255 PolarHBondContact O-N 3.01Å; I253-L256 HydrophobicContact CB-CD1 4.33Å; I253-L256 HydrophobicContact CG2-CD1 4.39Å; I253-L256 VanDerWaalsContact O-CB 3.31Å; I253-L256 WeakPolarHBondContact O-CB 3.34Å; I253-L256 PolarHBondContact O-N 2.81Å; I253-L262 HydrophobicContact CD1-CD2 3.54Å; I253-L262 HydrophobicContact CG2-CD1 4.34Å; I253-L262 HydrophobicContact CG2-CD2 4.49Å; I253-F277 HydrophobicContact CD1-CD1 3.8Å; I253-F277 HydrophobicContact CD1-CE1 3.93Å; I253-N280 PolarHBondContact O-ND2 3.3Å
254	R	96.8	Very high	97.6	Very high	176 Å²	176	44.9 Å²	44.9	66%	0.664	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-59.2	-17.9	-174.4	-178.1	174.9	171.3	-161.8	-4.1	114.3	T251 A252 G279	T251-R254 WeakPolarHBondContact O-CB 3.35Å; T251-R254 PolarHBondContact O-N 2.91Å; A252-R254 PolarHBondContact O-N 2.99Å; A252-R254 VanDerWaalsContact O-N 3.07Å; R254-G279 WeakPolarHBondContact O-CA 3.47Å
255	T	96.4	Very high	97.6	Very high	74 Å²	74	45.3 Å²	45.3	45%	0.454	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-91	-3.7	175.4	50.9	0	0	0	0	114.2	D231 A252 I253 S257	D231-T255 WeakPolarHBondContact OD1-CB 3.25Å; D231-T255 VanDerWaalsContact OD1-CG2 3.27Å; D231-T255 WeakPolarHBondContact OD1-CG2 3.44Å; D231-T255 PolarHBondContact OD1-OG1 3.15Å; A252-T255 PolarHBondContact O-OG1 2.79Å; I253-T255 PolarHBondContact O-N 3.01Å; T255-S257 PolarHBondContact O-N 3.48Å
256	L	97.9	Very high	97.6	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.219	C	C	.	.			trans	-91.5	71.2	-177.6	-55.3	175.5	0	0	0	111.9	F230 L233 L236 L239 I253 N258 L259 N280	F230-L256 HydrophobicContact CB-CD1 4.22Å; F230-L256 HydrophobicContact CB-CD2 4.06Å; F230-L256 HydrophobicContact CB-CG 4.36Å; F230-L256 HydrophobicContact CD2-CD1 4.3Å; F230-L256 HydrophobicContact CG-CD1 4.37Å; L233-L256 HydrophobicContact CB-CD2 3.8Å; L236-L256 HydrophobicContact CB-CD2 4.22Å; L236-L256 HydrophobicContact CD2-CD1 4.01Å; L236-L256 HydrophobicContact CD2-CD2 4.2Å; L239-L256 HydrophobicContact CD2-CD1 3.86Å; I253-L256 HydrophobicContact CB-CD1 4.33Å; I253-L256 HydrophobicContact CG2-CD1 4.39Å; I253-L256 VanDerWaalsContact O-CB 3.31Å; I253-L256 WeakPolarHBondContact O-CB 3.34Å; I253-L256 PolarHBondContact O-N 2.81Å; L256-N258 PolarHBondContact O-N 3.25Å; L256-L259 HydrophobicContact CB-CB 4.04Å; L256-L259 HydrophobicContact CB-CD2 4.35Å; L256-L259 HydrophobicContact CD1-CD1 4.44Å; L256-L259 HydrophobicContact CD1-CD2 4.3Å; L256-L259 VanDerWaalsContact O-CB 3.27Å; L256-L259 WeakPolarHBondContact O-CB 3.2Å; L256-L259 PolarHBondContact O-N 3.35Å; L256-N280 PolarHBondContact O-ND2 2.84Å
257	S	97	Very high	97.6	Very high	64 Å²	64	43.2 Å²	43.2	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-174.1	59.2	0	0	0	0	115.4	T255 G279 S282	T255-S257 PolarHBondContact O-N 3.48Å; S257-G279 WeakPolarHBondContact CA-O 3.26Å; S257-S282 PolarHBondContact O-OG 3.07Å
258	N	97.9	Very high	97.7	Very high	73 Å²	73	43.6 Å²	43.6	39%	0.39	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.9	-179.6	-68.5	-40.9	0	0	0	113.6	H234 L236 L256 K260	H234-N258 PolarHBondContact O-ND2 3.36Å; L236-N258 CarbonylContact O-C 3.58Å; L256-N258 PolarHBondContact O-N 3.25Å; N258-K260 PolarHBondContact O-N 3.29Å
259	L	98.5	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.			trans	-64.9	125.5	-175.7	-163	69.9	0	0	0	111.5	L236 L239 L256 L262 S282 L283	L236-L259 HydrophobicContact CD2-CD1 4.35Å; L236-L259 WeakPolarHBondContact O-CA 3.4Å; L236-L259 PolarHBondContact O-N 3.01Å; L239-L259 HydrophobicContact CB-CD1 3.8Å; L256-L259 HydrophobicContact CB-CB 4.04Å; L256-L259 HydrophobicContact CB-CD2 4.35Å; L256-L259 HydrophobicContact CD1-CD1 4.44Å; L256-L259 HydrophobicContact CD1-CD2 4.3Å; L256-L259 VanDerWaalsContact O-CB 3.27Å; L256-L259 WeakPolarHBondContact O-CB 3.2Å; L256-L259 PolarHBondContact O-N 3.35Å; L259-L262 HydrophobicContact CD2-CB 4.05Å; L259-L262 HydrophobicContact CD2-CD1 4.31Å; L259-L262 HydrophobicContact CD2-CD2 4.13Å; L259-L262 HydrophobicContact CD2-CG 4.39Å; L259-S282 CarbonylContact O-C 3.52Å; L259-S282 VanDerWaalsContact O-C 3.28Å; L259-L283 HydrophobicContact CB-CD2 4.34Å; L259-L283 HydrophobicContact CD2-CD2 4.1Å; L259-L283 HydrophobicContact CG-CD2 3.93Å; L259-L283 PolarHBondContact O-N 3.34Å
260	K	98.1	Very high	97.7	Very high	76 Å²	76	42.7 Å²	42.7	33%	0.33	21%	0.211	S	C	.	.			trans	-111.4	-35.1	-179.9	-63	176.4	-168.2	165.3	0	112.2	E237 N258 S282 I284 T285	E237-K260 HydrophobicContact CB-CD 4.26Å; E237-K260 HydrophobicContact CB-CG 4.41Å; E237-K260 HydrophobicContact CG-CD 4.38Å; E237-K260 PolarHBondContact O-N 3.36Å; E237-K260 VanDerWaalsContact OE1-CE 3.32Å; E237-K260 WeakPolarHBondContact OE1-CE 3.47Å; E237-K260 IonicContact OE1-NZ 3.75Å; E237-K260 PolarHBondContact OE1-NZ 2.84Å; E237-K260 WeakPolarHBondContact OE2-CE 3.35Å; E237-K260 IonicContact OE2-NZ 3.32Å; E237-K260 PolarHBondContact OE2-NZ 2.98Å; N258-K260 PolarHBondContact O-N 3.29Å; K260-S282 WeakPolarHBondContact CA-O 3.49Å; K260-I284 HydrophobicContact CB-CD1 4.13Å; K260-I284 HydrophobicContact CB-CG1 4.16Å; K260-I284 HydrophobicContact CD-CD1 4.37Å; K260-I284 HydrophobicContact CG-CD1 4.39Å; K260-I284 PolarHBondContact O-N 3.06Å; K260-T285 PolarHBondContact O-N 2.8Å
261	E	98.4	Very high	97.6	Very high	72 Å²	72	45 Å²	45	34%	0.336	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131	-179.9	175.8	163.9	-132.8	0	0	110.7	E237 T238 L239 T285 H287	E237-E261 PolarHBondContact O-N 3.23Å; T238-E261 WeakPolarHBondContact CA-O 3.48Å; T238-E261 HydrophobicContact CG2-CB 4.21Å; T238-E261 HydrophobicContact CG2-CG 4.1Å; L239-E261 PolarHBondContact N-O 3.39Å; E261-T285 WeakPolarHBondContact CB-OG1 3.38Å; E261-T285 WeakPolarHBondContact CG-OG1 3.46Å; E261-H287 IonicContact OE1-CE1 2.73Å
262	L	98.6	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	109.9	-178.2	174.7	55.5	0	0	0	111.3	L239 I253 L259 F264 F277 L283 T285 I286 H287	L239-L262 HydrophobicContact CB-CD1 4.32Å; L239-L262 HydrophobicContact CD2-CD1 4.16Å; L239-L262 HydrophobicContact CG-CD1 4.33Å; I253-L262 HydrophobicContact CD1-CD2 3.54Å; I253-L262 HydrophobicContact CG2-CD1 4.34Å; I253-L262 HydrophobicContact CG2-CD2 4.49Å; L259-L262 HydrophobicContact CD2-CB 4.05Å; L259-L262 HydrophobicContact CD2-CD1 4.31Å; L259-L262 HydrophobicContact CD2-CD2 4.13Å; L259-L262 HydrophobicContact CD2-CG 4.39Å; L262-F264 HydrophobicContact CD1-CD1 4.04Å; L262-F264 HydrophobicContact CD2-CD1 4.17Å; L262-F264 HydrophobicContact CD2-CE1 3.86Å; L262-F264 HydrophobicContact CG-CD1 3.78Å; L262-F264 HydrophobicContact CG-CE1 3.89Å; L262-F277 HydrophobicContact CD2-CD1 4.23Å; L262-F277 HydrophobicContact CD2-CE1 3.79Å; L262-L283 HydrophobicContact CB-CD2 3.9Å; L262-T285 PolarHBondContact N-O 3.28Å; L262-I286 HydrophobicContact CB-CG2 4.4Å; L262-I286 HydrophobicContact CD2-CG2 4.4Å; L262-I286 HydrophobicContact CG-CG2 4.39Å; L262-I286 CarbonylContact O-C 3.56Å; L262-I286 WeakPolarHBondContact O-CA 3.39Å; L262-H287 PolarHBondContact O-N 2.78Å
263	G	98.4	Very high	97.6	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.2	170.9	0	0	0	0	0	112.2	L239 L241 N242	L239-G263 PolarHBondContact O-N 3.37Å; L241-G263 WeakPolarHBondContact CA-O 3.46Å; L241-G263 WeakPolarHBondContact CB-O 3.43Å; L241-G263 PolarHBondContact N-O 2.87Å; N242-G263 WeakPolarHBondContact OD1-CA 3.46Å
264	F	98.3	Very high	97.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.			trans	-146.4	30.2	162.3	56.8	-90	0	0	0	111.8	L241 N242 F249 L262 N267 I269 F277 I286 H287 F288 N291	L241-F264 HydrophobicContact CB-CB 4.33Å; N242-F264 PolarHBondContact OD1-N 3.42Å; F249-F264 HydrophobicContact CD2-CE2 4.48Å; F249-F264 HydrophobicContact CD2-CZ 4.27Å; F249-F264 HydrophobicContact CE2-CE1 4.38Å; F249-F264 AromaticContact CE2-CZ 3.91Å; F249-F264 HydrophobicContact CE2-CZ 3.91Å; L262-F264 HydrophobicContact CD1-CD1 4.04Å; L262-F264 HydrophobicContact CD2-CD1 4.17Å; L262-F264 HydrophobicContact CD2-CE1 3.86Å; L262-F264 HydrophobicContact CG-CD1 3.78Å; L262-F264 HydrophobicContact CG-CE1 3.89Å; F264-N267 PolarHBondContact O-ND2 3.38Å; F264-I269 HydrophobicContact CD2-CD1 3.69Å; F264-I269 HydrophobicContact CE2-CD1 4.24Å; F264-I269 HydrophobicContact CG-CD1 4.46Å; F264-F277 HydrophobicContact CE1-CE1 4.32Å; F264-F277 HydrophobicContact CE1-CZ 4.4Å; F264-F277 HydrophobicContact CZ-CZ 4.21Å; F264-I286 HydrophobicContact CE1-CG2 3.86Å; F264-I286 HydrophobicContact CZ-CG2 4.36Å; F264-H287 CarbonylContact C-O 3.56Å; F264-H287 PolarHBondContact N-O 3.38Å; F264-F288 HydrophobicContact CD2-CB 3.71Å; F264-F288 HydrophobicContact CE1-CB 4.31Å; F264-F288 HydrophobicContact CE2-CB 3.26Å; F264-F288 HydrophobicContact CE2-CG 4.22Å; F264-F288 HydrophobicContact CG-CB 4.44Å; F264-F288 HydrophobicContact CZ-CB 3.59Å; F264-F288 HydrophobicContact CZ-CD1 4.33Å; F264-F288 HydrophobicContact CZ-CG 4.26Å; F264-N291 PolarHBondContact O-ND2 2.85Å
265	H	97.8	Very high	97.5	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.06	23%	0.232	C	C	.	.			trans	-69.3	162	178.3	79.5	74.2	0	0	0	111.8	N242 Y243 N267 H287 Y289	N242-H265 CarbonylContact C-O 3.09Å; N242-H265 WeakPolarHBondContact CA-O 3.32Å; N242-H265 PolarHBondContact ND2-CD2 3.26Å; N242-H265 PolarHBondContact OD1-CD2 3.29Å; N242-H265 VanDerWaalsContact OD1-CG 3.32Å; N242-H265 PolarHBondContact OD1-N 3.23Å; Y243-H265 AromaticContact CE2-CE1 3.4Å; Y243-H265 VanDerWaalsContact CE2-CE1 3.4Å; Y243-H265 WeakPolarHBondContact CE2-CE1 3.41Å; Y243-H265 AromaticContact CZ-CE1 3.53Å; Y243-H265 PolarHBondContact N-O 3.35Å; H265-N267 PolarHBondContact O-ND2 2.92Å; H265-H287 HydrophobicContact CB-CB 4.49Å; H265-H287 PolarHBondContact N-O 3.43Å; H265-Y289 CarbonylContact C-O 3.57Å; H265-Y289 WeakPolarHBondContact CA-O 3.45Å; H265-Y289 HydrophobicContact CB-CD1 4.25Å; H265-Y289 HydrophobicContact CB-CD2 3.73Å; H265-Y289 HydrophobicContact CB-CE1 4.22Å; H265-Y289 HydrophobicContact CB-CE2 3.67Å; H265-Y289 HydrophobicContact CB-CG 4.01Å; H265-Y289 VanDerWaalsContact CB-O 3.25Å; H265-Y289 WeakPolarHBondContact CB-O 3.21Å; H265-Y289 AromaticContact CD2-CE2 3.62Å; H265-Y289 AromaticContact CD2-CZ 3.32Å; H265-Y289 PolarHBondContact CD2-OH 3.44Å; H265-Y289 AromaticContact CE1-CE2 3.64Å; H265-Y289 AromaticContact CE1-CZ 3.95Å; H265-Y289 AromaticContact CG-CD2 3.92Å; H265-Y289 AromaticContact CG-CE2 3.33Å; H265-Y289 AromaticContact CG-CZ 3.53Å; H265-Y289 AromaticContact ND1-CE2 3.34Å; H265-Y289 VanDerWaalsContact ND1-CE2 3.34Å; H265-Y289 WeakPolarHBondContact ND1-CE2 3.46Å; H265-Y289 AromaticContact ND1-CZ 3.91Å; H265-Y289 AromaticContact NE2-CE2 3.81Å; H265-Y289 AromaticContact NE2-CZ 3.63Å; H265-Y289 PolarHBondContact NE2-OH 3.3Å
266	S	98.1	Very high	97.6	Very high	21 Å²	21	42.3 Å²	42.3	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	52.7	58.8	-179.6	-43.5	0	0	0	0	112.1	Y243 N244 Y289 D290	Y243-S266 WeakPolarHBondContact CA-O 3.14Å; Y243-S266 VanDerWaalsContact CD1-CB 3.42Å; Y243-S266 WeakPolarHBondContact CE1-OG 3.3Å; N244-S266 PolarHBondContact N-O 2.86Å; S266-Y289 PolarHBondContact N-O 3.02Å; S266-D290 WeakPolarHBondContact CA-O 3.45Å; S266-D290 WeakPolarHBondContact OG-CB 3.35Å; S266-D290 PolarHBondContact OG-OD2 3.47Å; S266-D290 VanDerWaalsContact OG-OD2 3.08Å
267	N	98.6	Very high	97.5	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	21%	0.214	C	C	.	.	S	Bend	trans	-136.3	-179.7	179.8	-89.4	-91.3	0	0	0	109.3	L241 N244 N245 L246 F264 H265 I269 N291 P292	L241-N267 PolarHBondContact O-ND2 3.12Å; N244-N267 WeakPolarHBondContact CA-OD1 3.21Å; N244-N267 WeakPolarHBondContact CB-OD1 3.39Å; N244-N267 PolarHBondContact N-ND2 3.41Å; N244-N267 PolarHBondContact O-OD1 3.47Å; N245-N267 PolarHBondContact N-OD1 3.24Å; L246-N267 HydrophobicContact CB-CB 4.33Å; L246-N267 VanDerWaalsContact CB-OD1 3.3Å; L246-N267 WeakPolarHBondContact CB-OD1 3.42Å; L246-N267 WeakPolarHBondContact CG-OD1 3.44Å; L246-N267 PolarHBondContact N-OD1 2.87Å; F264-N267 PolarHBondContact O-ND2 3.38Å; H265-N267 PolarHBondContact O-ND2 2.92Å; N267-I269 HydrophobicContact CB-CG1 4.36Å; N267-N291 WeakPolarHBondContact CA-OD1 3.37Å; N267-N291 WeakPolarHBondContact CB-OD1 3.39Å; N267-N291 WeakPolarHBondContact O-CA 3.4Å; N267-N291 PolarHBondContact O-OD1 3.05Å; N267-P292 WeakPolarHBondContact O-CD 3.45Å
268	N	97.9	Very high	97.5	Very high	68 Å²	68	43.1 Å²	43.1	36%	0.364	22%	0.216	S	C	.	.			trans	-95.5	10.7	-176.2	-59.4	-29.1	0	0	0	113.9	L246 D247 R270 P292	L246-N268 CarbonylContact O-C 3.48Å; L246-N268 VanDerWaalsContact O-C 3.24Å; L246-N268 VanDerWaalsContact O-CA 3.27Å; L246-N268 WeakPolarHBondContact O-CA 3.33Å; L246-N268 WeakPolarHBondContact O-CB 3.24Å; L246-N268 PolarHBondContact O-N 2.9Å; D247-N268 WeakPolarHBondContact OD1-CB 3.43Å; D247-N268 PolarHBondContact OD1-ND2 3.13Å; N268-R270 WeakPolarHBondContact O-CG 3.13Å; N268-R270 PolarHBondContact O-N 3.05Å; N268-P292 WeakPolarHBondContact O-CG 3.4Å
269	I	97.5	Very high	97.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.			trans	-67.2	129.5	-167	-57.9	172.9	0	0	0	110.3	L246 F249 F264 N267 S271 N291 P292 I293	L246-I269 HydrophobicContact CB-CD1 4.01Å; L246-I269 HydrophobicContact CB-CG1 3.95Å; L246-I269 HydrophobicContact CD1-CD1 4.4Å; L246-I269 WeakPolarHBondContact O-CG1 3.15Å; L246-I269 PolarHBondContact O-N 2.65Å; L246-I269 VanDerWaalsContact O-N 3.11Å; F249-I269 HydrophobicContact CB-CG2 4.41Å; F264-I269 HydrophobicContact CD2-CD1 3.69Å; F264-I269 HydrophobicContact CE2-CD1 4.24Å; F264-I269 HydrophobicContact CG-CD1 4.46Å; N267-I269 HydrophobicContact CB-CG1 4.36Å; I269-S271 WeakPolarHBondContact CG2-O 3.41Å; I269-N291 VanDerWaalsContact CB-OD1 3.28Å; I269-N291 WeakPolarHBondContact CB-OD1 3.15Å; I269-N291 PolarHBondContact N-OD1 3.1Å; I269-P292 CarbonylContact O-C 3.23Å; I269-P292 WeakPolarHBondContact O-CD 3.43Å; I269-I293 HydrophobicContact CB-CD1 4.23Å; I269-I293 HydrophobicContact CG2-CD1 3.93Å; I269-I293 VanDerWaalsContact O-CD1 3.29Å; I269-I293 WeakPolarHBondContact O-CD1 3.32Å; I269-I293 PolarHBondContact O-N 2.9Å
270	R	95.4	Very high	97.4	Very high	157 Å²	157	40.3 Å²	40.3	59%	0.592	21%	0.205	S	C	*	.			trans	-97.9	-17.5	-174.3	-55.5	-174.4	-169	-175.1	4.4	114.8	N268 P292 Q294	N268-R270 WeakPolarHBondContact O-CG 3.13Å; N268-R270 PolarHBondContact O-N 3.05Å; R270-P292 WeakPolarHBondContact CA-O 3.38Å; R270-P292 HydrophobicContact CG-CG 4.37Å; R270-Q294 PolarHBondContact O-N 3.09Å
271	S	96.2	Very high	97.3	Very high	52 Å²	52	39.6 Å²	39.6	36%	0.364	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152.5	-179.6	56.8	0	0	0	0	113.9	I269 F295	I269-S271 WeakPolarHBondContact CG2-O 3.41Å; S271-F295 CarbonylContact C-O 3.56Å; S271-F295 WeakPolarHBondContact CA-O 3.34Å; S271-F295 WeakPolarHBondContact CB-O 3.4Å
272	I	97.3	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.2	169	-55.6	-178.2	0	0	0	107.6	F249 A276 F277 F288 I293 F295 V296 G297 A300 F301	F249-I272 HydrophobicContact CD2-CG2 4.35Å; F249-I272 HydrophobicContact CE2-CG2 4.21Å; I272-A276 HydrophobicContact CG2-CB 3.53Å; I272-F277 HydrophobicContact CG2-CE2 4.1Å; I272-F277 HydrophobicContact CG2-CZ 4.42Å; I272-F288 HydrophobicContact CD1-CD2 4.27Å; I272-F288 HydrophobicContact CD1-CE1 4.48Å; I272-F288 HydrophobicContact CD1-CE2 4.26Å; I272-F288 HydrophobicContact CD1-CG 4.43Å; I272-F288 HydrophobicContact CD1-CZ 4.36Å; I272-I293 HydrophobicContact CG1-CD1 4.13Å; I272-F295 PolarHBondContact N-O 3.02Å; I272-V296 HydrophobicContact CB-CG1 4.36Å; I272-V296 HydrophobicContact CB-CG2 4.18Å; I272-V296 HydrophobicContact CD1-CG2 4.27Å; I272-V296 HydrophobicContact CG1-CG2 4.3Å; I272-V296 WeakPolarHBondContact O-CA 3.25Å; I272-G297 PolarHBondContact O-N 3.09Å; I272-A300 HydrophobicContact CG2-CB 3.89Å; I272-F301 HydrophobicContact CD1-CE2 4.32Å; I272-F301 HydrophobicContact CD1-CZ 3.85Å
273	P	96.9	Very high	97.3	Very high	46 Å²	46	38.1 Å²	38.1	30%	0.299	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-74.3	163.7	-173.9	29.9	-35.4	0	0	0	113.2	F249 K275 A276 A300	F249-P273 HydrophobicContact CB-CG 4.23Å; F249-P273 HydrophobicContact CD1-CG 3.66Å; F249-P273 HydrophobicContact CE1-CG 4.21Å; F249-P273 VanDerWaalsContact CG-CD 3.42Å; F249-P273 HydrophobicContact CG-CG 3.96Å; P273-K275 PolarHBondContact O-N 3.21Å; P273-A276 HydrophobicContact CG-CB 4.17Å; P273-A276 WeakPolarHBondContact O-CB 3.39Å; P273-A276 PolarHBondContact O-N 2.91Å; P273-A300 WeakPolarHBondContact O-CB 3.36Å
274	E	96.5	Very high	97.2	Very high	94 Å²	94	41 Å²	41	44%	0.439	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	135.5	168.4	-68.7	-65	169.8	0	0	111.2	A276 G297 R298 S299	E274-A276 PolarHBondContact O-N 3.13Å; E274-G297 WeakPolarHBondContact OE1-CA 3.34Å; E274-R298 VanDerWaalsContact CD-N 3.31Å; E274-R298 PolarHBondContact OE1-N 3.01Å; E274-R298 PolarHBondContact OE2-N 3.01Å; E274-S299 WeakPolarHBondContact OE2-CA 3.41Å; E274-S299 VanDerWaalsContact OE2-CB 3.32Å; E274-S299 WeakPolarHBondContact OE2-CB 3.34Å; E274-S299 PolarHBondContact OE2-N 3.02Å; E274-S299 PolarHBondContact OE2-OG 3Å
275	K	96.1	Very high	97	Very high	130 Å²	130	43.3 Å²	43.3	57%	0.565	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	26.6	-179.1	-51.8	-176.2	-178.5	-179.5	0	114.6	P273 F277 V278 S299	P273-K275 PolarHBondContact O-N 3.21Å; K275-F277 VanDerWaalsContact C-N 3.3Å; K275-F277 PolarHBondContact O-N 3.18Å; K275-F277 VanDerWaalsContact O-N 3.16Å; K275-V278 HydrophobicContact CB-CB 4.1Å; K275-V278 HydrophobicContact CB-CG1 4.17Å; K275-V278 WeakPolarHBondContact O-CB 3.45Å; K275-V278 VanDerWaalsContact O-CG1 3.23Å; K275-V278 WeakPolarHBondContact O-CG1 3.39Å; K275-V278 PolarHBondContact O-N 3.28Å; K275-V278 VanDerWaalsContact O-N 3.14Å; K275-S299 VanDerWaalsContact CG-OG 3.29Å; K275-S299 WeakPolarHBondContact CG-OG 3.14Å; K275-S299 PolarHBondContact N-OG 3.21Å
276	A	97.3	Very high	97	Very high	10 Å²	10	43.5 Å²	43.5	8%	0.083	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.9	-50.5	-179.9	0	0	0	0	0	114.7	F249 I272 P273 E274 A300	F249-A276 HydrophobicContact CE1-CB 3.94Å; F249-A276 HydrophobicContact CE2-CB 4.09Å; F249-A276 HydrophobicContact CZ-CB 3.6Å; I272-A276 HydrophobicContact CG2-CB 3.53Å; P273-A276 HydrophobicContact CG-CB 4.17Å; P273-A276 WeakPolarHBondContact O-CB 3.39Å; P273-A276 PolarHBondContact O-N 2.91Å; E274-A276 PolarHBondContact O-N 3.13Å; A276-A300 HydrophobicContact CB-CB 4.21Å
277	F	97.6	Very high	96.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	16.6	-172.6	-53.4	-69.2	0	0	0	113.9	F249 I253 L262 F264 I272 K275 G279 N280 L283 I286 A300 F301 L304	F249-F277 AromaticContact CE2-CE1 3.77Å; F249-F277 HydrophobicContact CE2-CE1 3.77Å; F249-F277 AromaticContact CE2-CZ 3.7Å; F249-F277 HydrophobicContact CE2-CZ 3.7Å; F249-F277 HydrophobicContact CZ-CD1 4.18Å; F249-F277 AromaticContact CZ-CE1 3.65Å; F249-F277 HydrophobicContact CZ-CE1 3.65Å; F249-F277 AromaticContact CZ-CZ 3.96Å; F249-F277 HydrophobicContact CZ-CZ 3.96Å; I253-F277 HydrophobicContact CD1-CD1 3.8Å; I253-F277 HydrophobicContact CD1-CE1 3.93Å; L262-F277 HydrophobicContact CD2-CD1 4.23Å; L262-F277 HydrophobicContact CD2-CE1 3.79Å; F264-F277 HydrophobicContact CE1-CE1 4.32Å; F264-F277 HydrophobicContact CE1-CZ 4.4Å; F264-F277 HydrophobicContact CZ-CZ 4.21Å; I272-F277 HydrophobicContact CG2-CE2 4.1Å; I272-F277 HydrophobicContact CG2-CZ 4.42Å; K275-F277 VanDerWaalsContact C-N 3.3Å; K275-F277 PolarHBondContact O-N 3.18Å; K275-F277 VanDerWaalsContact O-N 3.16Å; F277-G279 PolarHBondContact O-N 3.13Å; F277-N280 PolarHBondContact O-N 3.19Å; F277-L283 HydrophobicContact CB-CD1 4.1Å; F277-L283 HydrophobicContact CD1-CD1 3.77Å; F277-L283 HydrophobicContact CG-CD1 4.12Å; F277-I286 HydrophobicContact CD1-CD1 4.37Å; F277-I286 HydrophobicContact CD2-CD1 4.24Å; F277-I286 HydrophobicContact CE1-CD1 4.28Å; F277-I286 HydrophobicContact CE1-CG2 4.21Å; F277-I286 HydrophobicContact CE2-CD1 4.17Å; F277-I286 HydrophobicContact CG-CD1 4.36Å; F277-I286 HydrophobicContact CZ-CD1 4.18Å; F277-I286 HydrophobicContact CZ-CG2 4.11Å; F277-A300 WeakPolarHBondContact CD2-O 3.28Å; F277-F301 AromaticContact CD2-CD1 3.95Å; F277-F301 HydrophobicContact CD2-CD1 3.95Å; F277-F301 AromaticContact CD2-CE1 3.99Å; F277-F301 HydrophobicContact CD2-CE1 3.99Å; F277-F301 AromaticContact CE2-CD1 3.84Å; F277-F301 HydrophobicContact CE2-CD1 3.84Å; F277-F301 AromaticContact CE2-CE1 3.4Å; F277-F301 HydrophobicContact CE2-CE1 3.4Å; F277-F301 AromaticContact CE2-CZ 3.96Å; F277-F301 HydrophobicContact CE2-CZ 3.96Å; F277-F301 HydrophobicContact CZ-CE1 4.29Å; F277-L304 HydrophobicContact CB-CD1 4.11Å; F277-L304 HydrophobicContact CB-CD2 3.88Å; F277-L304 HydrophobicContact CD2-CD1 4.2Å; F277-L304 HydrophobicContact CG-CD1 4.4Å
278	V	96.3	Very high	96.8	Very high	82 Å²	82	46 Å²	46	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.5	-176.2	75.9	0	0	0	0	114.5	K275	K275-V278 HydrophobicContact CB-CB 4.1Å; K275-V278 HydrophobicContact CB-CG1 4.17Å; K275-V278 WeakPolarHBondContact O-CB 3.45Å; K275-V278 VanDerWaalsContact O-CG1 3.23Å; K275-V278 WeakPolarHBondContact O-CG1 3.39Å; K275-V278 PolarHBondContact O-N 3.28Å; K275-V278 VanDerWaalsContact O-N 3.14Å
279	G	96.1	Very high	96.7	Very high	15 Å²	15	48.4 Å²	48.4	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.8	173	0	0	0	0	0	114.4	R254 S257 F277 P281	R254-G279 WeakPolarHBondContact O-CA 3.47Å; S257-G279 WeakPolarHBondContact CA-O 3.26Å; F277-G279 PolarHBondContact O-N 3.13Å; G279-P281 VanDerWaalsContact C-CD 3.49Å
280	N	97.9	Very high	96.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.			trans	-132.4	55.6	-161.6	-48.1	99.7	0	0	0	111.8	I253 L256 F277 S282 L283 L304	I253-N280 PolarHBondContact O-ND2 3.3Å; L256-N280 PolarHBondContact O-ND2 2.84Å; F277-N280 PolarHBondContact O-N 3.19Å; N280-S282 PolarHBondContact O-N 2.83Å; N280-S282 VanDerWaalsContact O-N 3.14Å; N280-L283 HydrophobicContact CB-CD1 3.57Å; N280-L283 HydrophobicContact CB-CG 3.89Å; N280-L283 WeakPolarHBondContact O-CG 3.45Å; N280-L283 PolarHBondContact O-N 2.77Å; N280-L304 WeakPolarHBondContact O-CD2 3.26Å
281	P	97.3	Very high	96.6	Very high	61 Å²	61	47.2 Å²	47.2	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.3	-171.5	30.4	-37.6	0	0	0	114	G279 L283 P305	G279-P281 VanDerWaalsContact C-CD 3.49Å; P281-L283 VanDerWaalsContact C-N 3.33Å; P281-P305 WeakPolarHBondContact O-CD 3.27Å
282	S	97.2	Very high	96.6	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4	-176.4	-49.5	0	0	0	0	113.8	S257 L259 K260 N280 I284	S257-S282 PolarHBondContact O-OG 3.07Å; L259-S282 CarbonylContact O-C 3.52Å; L259-S282 VanDerWaalsContact O-C 3.28Å; K260-S282 WeakPolarHBondContact CA-O 3.49Å; N280-S282 PolarHBondContact O-N 2.83Å; N280-S282 VanDerWaalsContact O-N 3.14Å; S282-I284 PolarHBondContact O-N 3.48Å
283	L	98	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.			trans	-64.9	126.4	-176.8	-76.7	170.8	0	0	0	112.3	L259 L262 F277 N280 P281 I286 L304 E306 L307	L259-L283 HydrophobicContact CB-CD2 4.34Å; L259-L283 HydrophobicContact CD2-CD2 4.1Å; L259-L283 HydrophobicContact CG-CD2 3.93Å; L259-L283 PolarHBondContact O-N 3.34Å; L262-L283 HydrophobicContact CB-CD2 3.9Å; F277-L283 HydrophobicContact CB-CD1 4.1Å; F277-L283 HydrophobicContact CD1-CD1 3.77Å; F277-L283 HydrophobicContact CG-CD1 4.12Å; N280-L283 HydrophobicContact CB-CD1 3.57Å; N280-L283 HydrophobicContact CB-CG 3.89Å; N280-L283 WeakPolarHBondContact O-CG 3.45Å; N280-L283 PolarHBondContact O-N 2.77Å; P281-L283 VanDerWaalsContact C-N 3.33Å; L283-I286 HydrophobicContact CB-CD1 4.45Å; L283-I286 HydrophobicContact CB-CG1 4.39Å; L283-I286 HydrophobicContact CD1-CD1 3.89Å; L283-I286 HydrophobicContact CD1-CG1 4.19Å; L283-L304 HydrophobicContact CB-CD2 4.44Å; L283-L304 HydrophobicContact CD1-CD2 4.47Å; L283-E306 CarbonylContact O-C 3.54Å; L283-L307 PolarHBondContact O-N 3.3Å
284	I	96.2	Very high	96.4	Very high	63 Å²	63	51.2 Å²	51.2	32%	0.323	27%	0.269	S	S	.	.	S	Bend	trans	-104.9	-40.9	178.3	-44.5	-179.7	0	0	0	109.9	K260 S282 E306	K260-I284 HydrophobicContact CB-CD1 4.13Å; K260-I284 HydrophobicContact CB-CG1 4.16Å; K260-I284 HydrophobicContact CD-CD1 4.37Å; K260-I284 HydrophobicContact CG-CD1 4.39Å; K260-I284 PolarHBondContact O-N 3.06Å; S282-I284 PolarHBondContact O-N 3.48Å; I284-E306 HydrophobicContact CG1-CB 4.07Å
285	T	95.4	Very high	96.3	Very high	48 Å²	48	51.2 Å²	51.2	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.1	-178.1	52	0	0	0	0	111.3	K260 E261 L262	K260-T285 PolarHBondContact O-N 2.8Å; E261-T285 WeakPolarHBondContact CB-OG1 3.38Å; E261-T285 WeakPolarHBondContact CG-OG1 3.46Å; L262-T285 PolarHBondContact N-O 3.28Å
286	I	97.4	Very high	96.3	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.087	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	116.2	175.2	-42	175.9	0	0	0	108	L262 F264 F277 L283 F288 F301 L304 L307	L262-I286 HydrophobicContact CB-CG2 4.4Å; L262-I286 HydrophobicContact CD2-CG2 4.4Å; L262-I286 HydrophobicContact CG-CG2 4.39Å; L262-I286 CarbonylContact O-C 3.56Å; L262-I286 WeakPolarHBondContact O-CA 3.39Å; F264-I286 HydrophobicContact CE1-CG2 3.86Å; F264-I286 HydrophobicContact CZ-CG2 4.36Å; F277-I286 HydrophobicContact CD1-CD1 4.37Å; F277-I286 HydrophobicContact CD2-CD1 4.24Å; F277-I286 HydrophobicContact CE1-CD1 4.28Å; F277-I286 HydrophobicContact CE1-CG2 4.21Å; F277-I286 HydrophobicContact CE2-CD1 4.17Å; F277-I286 HydrophobicContact CG-CD1 4.36Å; F277-I286 HydrophobicContact CZ-CD1 4.18Å; F277-I286 HydrophobicContact CZ-CG2 4.11Å; L283-I286 HydrophobicContact CB-CD1 4.45Å; L283-I286 HydrophobicContact CB-CG1 4.39Å; L283-I286 HydrophobicContact CD1-CD1 3.89Å; L283-I286 HydrophobicContact CD1-CG1 4.19Å; I286-F288 HydrophobicContact CB-CD1 4.38Å; I286-F288 HydrophobicContact CG2-CD1 3.89Å; I286-F288 HydrophobicContact CG2-CE1 4.46Å; I286-F301 HydrophobicContact CD1-CE1 4.23Å; I286-L304 HydrophobicContact CD1-CD1 4.18Å; I286-L307 HydrophobicContact CD1-CD1 4.15Å; I286-L307 HydrophobicContact CG1-CD1 4.05Å
287	H	96.6	Very high	96.2	Very high	64 Å²	64	45 Å²	45	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.1	-178.2	-59	142.9	0	0	0	110.1	E261 L262 F264 H265 Y289	E261-H287 IonicContact OE1-CE1 2.73Å; L262-H287 PolarHBondContact O-N 2.78Å; F264-H287 CarbonylContact C-O 3.56Å; F264-H287 PolarHBondContact N-O 3.38Å; H265-H287 HydrophobicContact CB-CB 4.49Å; H265-H287 PolarHBondContact N-O 3.43Å; H287-Y289 HydrophobicContact CB-CE1 3.91Å
288	F	96.6	Very high	96.1	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.066	26%	0.263	C	S	.	.			trans	-135.8	13.9	-177.6	61.4	-100.7	0	0	0	114.1	F264 I272 I286 N291 F301 L310 T311 L312	F264-F288 HydrophobicContact CD2-CB 3.71Å; F264-F288 HydrophobicContact CE1-CB 4.31Å; F264-F288 HydrophobicContact CE2-CB 3.26Å; F264-F288 HydrophobicContact CE2-CG 4.22Å; F264-F288 HydrophobicContact CG-CB 4.44Å; F264-F288 HydrophobicContact CZ-CB 3.59Å; F264-F288 HydrophobicContact CZ-CD1 4.33Å; F264-F288 HydrophobicContact CZ-CG 4.26Å; I272-F288 HydrophobicContact CD1-CD2 4.27Å; I272-F288 HydrophobicContact CD1-CE1 4.48Å; I272-F288 HydrophobicContact CD1-CE2 4.26Å; I272-F288 HydrophobicContact CD1-CG 4.43Å; I272-F288 HydrophobicContact CD1-CZ 4.36Å; I286-F288 HydrophobicContact CB-CD1 4.38Å; I286-F288 HydrophobicContact CG2-CD1 3.89Å; I286-F288 HydrophobicContact CG2-CE1 4.46Å; F288-N291 WeakPolarHBondContact O-CB 3.44Å; F288-N291 PolarHBondContact O-ND2 3.18Å; F288-F301 HydrophobicContact CE1-CE1 4.2Å; F288-F301 AromaticContact CE1-CZ 3.92Å; F288-F301 HydrophobicContact CE1-CZ 3.92Å; F288-F301 HydrophobicContact CZ-CZ 4Å; F288-L310 HydrophobicContact CE1-CD1 4.27Å; F288-L310 HydrophobicContact CZ-CD1 4.03Å; F288-T311 WeakPolarHBondContact CE2-O 3.47Å; F288-T311 WeakPolarHBondContact CZ-O 3.47Å; F288-L312 HydrophobicContact CE2-CD2 3.65Å; F288-L312 HydrophobicContact CE2-CG 4.26Å; F288-L312 HydrophobicContact CZ-CD2 3.88Å; F288-L312 HydrophobicContact CZ-CG 4.13Å
289	Y	94.3	Very high	96.1	Very high	119 Å²	119	48.1 Å²	48.1	47%	0.467	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	170.1	172.4	52.1	-97.8	0	0	0	112	H265 S266 H287 N291	H265-Y289 CarbonylContact C-O 3.57Å; H265-Y289 WeakPolarHBondContact CA-O 3.45Å; H265-Y289 HydrophobicContact CB-CD1 4.25Å; H265-Y289 HydrophobicContact CB-CD2 3.73Å; H265-Y289 HydrophobicContact CB-CE1 4.22Å; H265-Y289 HydrophobicContact CB-CE2 3.67Å; H265-Y289 HydrophobicContact CB-CG 4.01Å; H265-Y289 VanDerWaalsContact CB-O 3.25Å; H265-Y289 WeakPolarHBondContact CB-O 3.21Å; H265-Y289 AromaticContact CD2-CE2 3.62Å; H265-Y289 AromaticContact CD2-CZ 3.32Å; H265-Y289 PolarHBondContact CD2-OH 3.44Å; H265-Y289 AromaticContact CE1-CE2 3.64Å; H265-Y289 AromaticContact CE1-CZ 3.95Å; H265-Y289 AromaticContact CG-CD2 3.92Å; H265-Y289 AromaticContact CG-CE2 3.33Å; H265-Y289 AromaticContact CG-CZ 3.53Å; H265-Y289 AromaticContact ND1-CE2 3.34Å; H265-Y289 VanDerWaalsContact ND1-CE2 3.34Å; H265-Y289 WeakPolarHBondContact ND1-CE2 3.46Å; H265-Y289 AromaticContact ND1-CZ 3.91Å; H265-Y289 AromaticContact NE2-CE2 3.81Å; H265-Y289 AromaticContact NE2-CZ 3.63Å; H265-Y289 PolarHBondContact NE2-OH 3.3Å; S266-Y289 PolarHBondContact N-O 3.02Å; H287-Y289 HydrophobicContact CB-CE1 3.91Å; Y289-N291 PolarHBondContact O-N 3.48Å; Y289-N291 PolarHBondContact O-ND2 3.28Å
290	D	95.2	Very high	96.1	Very high	111 Å²	111	47.5 Å²	47.5	59%	0.594	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	24.9	-173.6	-53.6	-17.6	0	0	0	114.5	S266	S266-D290 WeakPolarHBondContact CA-O 3.45Å; S266-D290 WeakPolarHBondContact OG-CB 3.35Å; S266-D290 PolarHBondContact OG-OD2 3.47Å; S266-D290 VanDerWaalsContact OG-OD2 3.08Å
291	N	96.3	Very high	96.1	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	24%	0.239	C	C	.	.	S	Bend	trans	-103.6	144.4	165	-79.1	-93.5	0	0	0	109.3	F264 N267 I269 F288 Y289 I293	F264-N291 PolarHBondContact O-ND2 2.85Å; N267-N291 WeakPolarHBondContact CA-OD1 3.37Å; N267-N291 WeakPolarHBondContact CB-OD1 3.39Å; N267-N291 WeakPolarHBondContact O-CA 3.4Å; N267-N291 PolarHBondContact O-OD1 3.05Å; I269-N291 VanDerWaalsContact CB-OD1 3.28Å; I269-N291 WeakPolarHBondContact CB-OD1 3.15Å; I269-N291 PolarHBondContact N-OD1 3.1Å; F288-N291 WeakPolarHBondContact O-CB 3.44Å; F288-N291 PolarHBondContact O-ND2 3.18Å; Y289-N291 PolarHBondContact O-N 3.48Å; Y289-N291 PolarHBondContact O-ND2 3.28Å; N291-I293 HydrophobicContact CB-CD1 3.96Å; N291-I293 HydrophobicContact CB-CG1 3.72Å; N291-I293 PolarHBondContact O-N 2.93Å
292	P	96.1	Very high	96.1	Very high	67 Å²	67	46.6 Å²	46.6	44%	0.435	23%	0.229	S	C	.	.			trans	-75.5	51.1	175.2	34.7	-37.9	0	0	0	112.4	N267 N268 I269 R270 Q294	N267-P292 WeakPolarHBondContact O-CD 3.45Å; N268-P292 WeakPolarHBondContact O-CG 3.4Å; I269-P292 CarbonylContact O-C 3.23Å; I269-P292 WeakPolarHBondContact O-CD 3.43Å; R270-P292 WeakPolarHBondContact CA-O 3.38Å; R270-P292 HydrophobicContact CG-CG 4.37Å; P292-Q294 PolarHBondContact O-N 3.08Å; P292-Q294 VanDerWaalsContact O-N 3.16Å
293	I	95.6	Very high	96	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.067	24%	0.239	C	C	.	.			trans	-66	112.6	-178.5	-57.4	-67.5	0	0	0	109.6	I269 I272 N291 V296 A315	I269-I293 HydrophobicContact CB-CD1 4.23Å; I269-I293 HydrophobicContact CG2-CD1 3.93Å; I269-I293 VanDerWaalsContact O-CD1 3.29Å; I269-I293 WeakPolarHBondContact O-CD1 3.32Å; I269-I293 PolarHBondContact O-N 2.9Å; I272-I293 HydrophobicContact CG1-CD1 4.13Å; N291-I293 HydrophobicContact CB-CD1 3.96Å; N291-I293 HydrophobicContact CB-CG1 3.72Å; N291-I293 PolarHBondContact O-N 2.93Å; I293-V296 HydrophobicContact CG2-CG2 3.85Å; I293-A315 WeakPolarHBondContact O-CA 3.31Å
294	Q	93.4	Very high	96	Very high	103 Å²	103	49.7 Å²	49.7	48%	0.481	24%	0.239	S	C	.	.			trans	-96.9	-40.1	176.1	-69.1	176.2	-6.4	0	0	111.4	R270 P292 A315 Q317	R270-Q294 PolarHBondContact O-N 3.09Å; P292-Q294 PolarHBondContact O-N 3.08Å; P292-Q294 VanDerWaalsContact O-N 3.16Å; Q294-A315 CarbonylContact O-C 3.18Å; Q294-Q317 HydrophobicContact CB-CG 4Å; Q294-Q317 WeakPolarHBondContact O-CA 3.26Å; Q294-Q317 VanDerWaalsContact O-CB 3.26Å; Q294-Q317 WeakPolarHBondContact O-CB 3.48Å; Q294-Q317 PolarHBondContact O-N 3.08Å
295	F	94.9	Very high	96.1	Very high	93 Å²	93	49.3 Å²	49.3	41%	0.408	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-173.6	174.7	-95.8	0	0	0	112.7	S271 I272 Q317	S271-F295 CarbonylContact C-O 3.56Å; S271-F295 WeakPolarHBondContact CA-O 3.34Å; S271-F295 WeakPolarHBondContact CB-O 3.4Å; I272-F295 PolarHBondContact N-O 3.02Å; F295-Q317 HydrophobicContact CB-CB 4.35Å
296	V	96.8	Very high	96.1	Very high	11 Å²	11	51 Å²	51	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.1	173.4	173.6	0	0	0	0	108.9	I272 I293 A300 F301 L312 I318	I272-V296 HydrophobicContact CB-CG1 4.36Å; I272-V296 HydrophobicContact CB-CG2 4.18Å; I272-V296 HydrophobicContact CD1-CG2 4.27Å; I272-V296 HydrophobicContact CG1-CG2 4.3Å; I272-V296 WeakPolarHBondContact O-CA 3.25Å; I293-V296 HydrophobicContact CG2-CG2 3.85Å; V296-A300 HydrophobicContact CG1-CB 4.04Å; V296-F301 HydrophobicContact CG1-CD2 4.16Å; V296-F301 HydrophobicContact CG1-CE2 3.75Å; V296-L312 HydrophobicContact CG2-CD2 3.74Å; V296-I318 HydrophobicContact CB-CD1 3.78Å; V296-I318 HydrophobicContact CB-CG1 4.22Å; V296-I318 HydrophobicContact CG2-CD1 3.86Å
297	G	95.5	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.			trans	-63.9	137.9	174.4	0	0	0	0	0	112.2	I272 E274 S299 A300	I272-G297 PolarHBondContact O-N 3.09Å; E274-G297 WeakPolarHBondContact OE1-CA 3.34Å; G297-S299 PolarHBondContact O-N 2.82Å; G297-S299 VanDerWaalsContact O-N 3.16Å; G297-A300 WeakPolarHBondContact O-CB 3.37Å; G297-A300 PolarHBondContact O-N 2.89Å
298	R	94.5	Very high	96.1	Very high	131 Å²	131	52.3 Å²	52.3	49%	0.494	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.2	-174.2	-174.4	173	174.5	-125.8	-8.6	113.1	E274 E320 D323	E274-R298 VanDerWaalsContact CD-N 3.31Å; E274-R298 PolarHBondContact OE1-N 3.01Å; E274-R298 PolarHBondContact OE2-N 3.01Å; R298-E320 VanDerWaalsContact CD-OE2 3.3Å; R298-E320 WeakPolarHBondContact CD-OE2 3.46Å; R298-E320 IonicContact CZ-OE2 2.74Å; R298-E320 IonicContact NE-OE2 3.06Å; R298-E320 PolarHBondContact NE-OE2 2.87Å; R298-D323 HydrophobicContact CG-CB 4.38Å; R298-D323 PolarHBondContact O-N 2.85Å
299	S	96.5	Very high	96.1	Very high	18 Å²	18	55 Å²	55	13%	0.126	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.5	175.6	69.7	0	0	0	0	114.6	E274 K275 G297 F301	E274-S299 WeakPolarHBondContact OE2-CA 3.41Å; E274-S299 VanDerWaalsContact OE2-CB 3.32Å; E274-S299 WeakPolarHBondContact OE2-CB 3.34Å; E274-S299 PolarHBondContact OE2-N 3.02Å; E274-S299 PolarHBondContact OE2-OG 3Å; K275-S299 VanDerWaalsContact CG-OG 3.29Å; K275-S299 WeakPolarHBondContact CG-OG 3.14Å; K275-S299 PolarHBondContact N-OG 3.21Å; G297-S299 PolarHBondContact O-N 2.82Å; G297-S299 VanDerWaalsContact O-N 3.16Å; S299-F301 VanDerWaalsContact C-N 3.33Å; S299-F301 PolarHBondContact O-N 2.91Å
300	A	97.3	Very high	96.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-40.5	-175.2	0	0	0	0	0	113.4	I272 P273 A276 F277 V296 G297	I272-A300 HydrophobicContact CG2-CB 3.89Å; P273-A300 WeakPolarHBondContact O-CB 3.36Å; A276-A300 HydrophobicContact CB-CB 4.21Å; F277-A300 WeakPolarHBondContact CD2-O 3.28Å; V296-A300 HydrophobicContact CG1-CB 4.04Å; G297-A300 WeakPolarHBondContact O-CB 3.37Å; G297-A300 PolarHBondContact O-N 2.89Å
301	F	97.2	Very high	96.2	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	18	-174	-64.1	-76	0	0	0	114.2	I272 F277 I286 F288 V296 S299 L304 L307 L310 L312 L324 T327	I272-F301 HydrophobicContact CD1-CE2 4.32Å; I272-F301 HydrophobicContact CD1-CZ 3.85Å; F277-F301 AromaticContact CD2-CD1 3.95Å; F277-F301 HydrophobicContact CD2-CD1 3.95Å; F277-F301 AromaticContact CD2-CE1 3.99Å; F277-F301 HydrophobicContact CD2-CE1 3.99Å; F277-F301 AromaticContact CE2-CD1 3.84Å; F277-F301 HydrophobicContact CE2-CD1 3.84Å; F277-F301 AromaticContact CE2-CE1 3.4Å; F277-F301 HydrophobicContact CE2-CE1 3.4Å; F277-F301 AromaticContact CE2-CZ 3.96Å; F277-F301 HydrophobicContact CE2-CZ 3.96Å; F277-F301 HydrophobicContact CZ-CE1 4.29Å; I286-F301 HydrophobicContact CD1-CE1 4.23Å; F288-F301 HydrophobicContact CE1-CE1 4.2Å; F288-F301 AromaticContact CE1-CZ 3.92Å; F288-F301 HydrophobicContact CE1-CZ 3.92Å; F288-F301 HydrophobicContact CZ-CZ 4Å; V296-F301 HydrophobicContact CG1-CD2 4.16Å; V296-F301 HydrophobicContact CG1-CE2 3.75Å; S299-F301 VanDerWaalsContact C-N 3.33Å; S299-F301 PolarHBondContact O-N 2.91Å; F301-L304 HydrophobicContact CB-CD1 4.42Å; F301-L304 HydrophobicContact CD1-CD1 4.03Å; F301-L307 HydrophobicContact CD1-CD2 4.45Å; F301-L310 HydrophobicContact CB-CD2 4.37Å; F301-L310 HydrophobicContact CD1-CD1 3.97Å; F301-L310 HydrophobicContact CD1-CD2 4.42Å; F301-L310 HydrophobicContact CD2-CD1 4.21Å; F301-L310 HydrophobicContact CD2-CD2 4.05Å; F301-L310 HydrophobicContact CE1-CD1 3.6Å; F301-L310 HydrophobicContact CE2-CD1 3.86Å; F301-L310 HydrophobicContact CE2-CD2 4.44Å; F301-L310 HydrophobicContact CG-CD1 4.27Å; F301-L310 HydrophobicContact CG-CD2 4.04Å; F301-L310 HydrophobicContact CZ-CD1 3.54Å; F301-L312 HydrophobicContact CE2-CD1 4.25Å; F301-L324 HydrophobicContact CB-CD2 4.06Å; F301-T327 PolarHBondContact O-OG1 3.16Å
302	Q	96.3	Very high	96	Very high	41 Å²	41	46.2 Å²	46.2	19%	0.192	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	153.5	171.3	-69.9	177.8	-16.2	0	0	111.6	L304 D323 T325	Q302-L304 PolarHBondContact O-N 3.4Å; Q302-D323 HydrophobicContact CG-CB 4.49Å; Q302-D323 VanDerWaalsContact CG-O 3.24Å; Q302-D323 WeakPolarHBondContact CG-O 3.27Å; Q302-D323 PolarHBondContact NE2-OD2 2.89Å; Q302-T325 WeakPolarHBondContact CA-O 3.23Å
303	H	96.7	Very high	95.8	Very high	106 Å²	106	47.7 Å²	47.7	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	38.3	173.5	-49.8	91.6	0	0	0	115.2	P305 T325 T327	H303-P305 WeakPolarHBondContact O-CD 3.13Å; H303-T325 PolarHBondContact N-O 3.19Å; H303-T327 PolarHBondContact N-OG1 2.89Å
304	L	97.7	Very high	95.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.			trans	-112.3	69.9	174.7	-57.4	178.7	0	0	0	110.5	F277 N280 L283 I286 F301 Q302 E306 L307 T327	F277-L304 HydrophobicContact CB-CD1 4.11Å; F277-L304 HydrophobicContact CB-CD2 3.88Å; F277-L304 HydrophobicContact CD2-CD1 4.2Å; F277-L304 HydrophobicContact CG-CD1 4.4Å; N280-L304 WeakPolarHBondContact O-CD2 3.26Å; L283-L304 HydrophobicContact CB-CD2 4.44Å; L283-L304 HydrophobicContact CD1-CD2 4.47Å; I286-L304 HydrophobicContact CD1-CD1 4.18Å; F301-L304 HydrophobicContact CB-CD1 4.42Å; F301-L304 HydrophobicContact CD1-CD1 4.03Å; Q302-L304 PolarHBondContact O-N 3.4Å; L304-E306 PolarHBondContact O-N 3.07Å; L304-E306 VanDerWaalsContact O-N 3.15Å; L304-L307 HydrophobicContact CB-CB 3.93Å; L304-L307 HydrophobicContact CB-CD2 4.33Å; L304-L307 HydrophobicContact CD1-CD2 3.99Å; L304-L307 WeakPolarHBondContact O-CB 3.5Å; L304-L307 PolarHBondContact O-N 3.41Å; L304-T327 HydrophobicContact CB-CG2 4.01Å; L304-T327 PolarHBondContact N-OG1 2.9Å
305	P	96.8	Very high	95.2	Very high	55 Å²	55	44.4 Å²	44.4	36%	0.357	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.3	-170.3	25.7	-37.1	0	0	0	115.2	P281 H303 G326 N329	P281-P305 WeakPolarHBondContact O-CD 3.27Å; H303-P305 WeakPolarHBondContact O-CD 3.13Å; P305-G326 WeakPolarHBondContact CA-O 3.24Å; P305-N329 WeakPolarHBondContact O-CB 3.39Å; P305-N329 PolarHBondContact O-ND2 2.96Å
306	E	97.1	Very high	95.1	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.5	178.7	-62.6	-58.9	144.1	0	0	113.9	L283 I284 L304 R308	L283-E306 CarbonylContact O-C 3.54Å; I284-E306 HydrophobicContact CG1-CB 4.07Å; L304-E306 PolarHBondContact O-N 3.07Å; L304-E306 VanDerWaalsContact O-N 3.15Å; E306-R308 PolarHBondContact O-N 2.98Å
307	L	97.7	Very high	94.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.245	C	C	.	.			trans	-71.3	120.2	-177.2	-176	69.4	0	0	0	111.2	L283 I286 F301 L304 T327 N329 L330	L283-L307 PolarHBondContact O-N 3.3Å; I286-L307 HydrophobicContact CD1-CD1 4.15Å; I286-L307 HydrophobicContact CG1-CD1 4.05Å; F301-L307 HydrophobicContact CD1-CD2 4.45Å; L304-L307 HydrophobicContact CB-CB 3.93Å; L304-L307 HydrophobicContact CB-CD2 4.33Å; L304-L307 HydrophobicContact CD1-CD2 3.99Å; L304-L307 WeakPolarHBondContact O-CB 3.5Å; L304-L307 PolarHBondContact O-N 3.41Å; L307-T327 HydrophobicContact CB-CG2 4.29Å; L307-T327 HydrophobicContact CD2-CG2 4.06Å; L307-N329 CarbonylContact O-C 3.49Å; L307-L330 HydrophobicContact CD2-CD2 4.11Å; L307-L330 HydrophobicContact CG-CD2 3.97Å; L307-L330 PolarHBondContact O-N 3.42Å
308	R	95.5	Very high	94.8	Very high	107 Å²	107	47.2 Å²	47.2	40%	0.404	25%	0.248	S	C	.	.			trans	-97.9	-30.4	-177.4	-63.5	178.5	-171.4	-78.2	-16.4	114.3	E306 E331 S332	E306-R308 PolarHBondContact O-N 2.98Å; R308-E331 WeakPolarHBondContact CD-OE1 3.48Å; R308-E331 IonicContact CZ-OE1 2.9Å; R308-E331 IonicContact NE-OE1 2.68Å; R308-E331 IonicContact NH1-OE1 2.7Å; R308-E331 PolarHBondContact NH1-OE1 3.44Å; R308-E331 PolarHBondContact O-N 2.84Å; R308-S332 PolarHBondContact O-N 3.1Å; R308-S332 VanDerWaalsContact O-N 3.09Å
309	T	95.9	Very high	94.8	Very high	73 Å²	73	44.8 Å²	44.8	45%	0.448	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.4	-174.6	-60.3	0	0	0	0	110.4	S332	T309-S332 WeakPolarHBondContact CA-O 3.38Å
310	L	96.3	Very high	94.8	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.5	170.4	176.4	56.8	0	0	0	109.5	F288 F301 L312 L324 L330 S332 L333 T334	F288-L310 HydrophobicContact CE1-CD1 4.27Å; F288-L310 HydrophobicContact CZ-CD1 4.03Å; F301-L310 HydrophobicContact CB-CD2 4.37Å; F301-L310 HydrophobicContact CD1-CD1 3.97Å; F301-L310 HydrophobicContact CD1-CD2 4.42Å; F301-L310 HydrophobicContact CD2-CD1 4.21Å; F301-L310 HydrophobicContact CD2-CD2 4.05Å; F301-L310 HydrophobicContact CE1-CD1 3.6Å; F301-L310 HydrophobicContact CE2-CD1 3.86Å; F301-L310 HydrophobicContact CE2-CD2 4.44Å; F301-L310 HydrophobicContact CG-CD1 4.27Å; F301-L310 HydrophobicContact CG-CD2 4.04Å; F301-L310 HydrophobicContact CZ-CD1 3.54Å; L310-L312 HydrophobicContact CD1-CD1 4.26Å; L310-L312 HydrophobicContact CD1-CG 4.36Å; L310-L312 HydrophobicContact CG-CD1 4.39Å; L310-L324 HydrophobicContact CD2-CD2 4.13Å; L310-L330 HydrophobicContact CB-CD2 3.92Å; L310-S332 PolarHBondContact N-O 3.04Å; L310-L333 HydrophobicContact CB-CD1 3.92Å; L310-L333 HydrophobicContact CD2-CD1 3.87Å; L310-L333 HydrophobicContact CG-CD1 3.93Å; L310-L333 WeakPolarHBondContact O-CA 3.1Å; L310-T334 PolarHBondContact O-N 3.05Å
311	T	95.4	Very high	94.7	Very high	59 Å²	59	49.7 Å²	49.7	36%	0.362	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.2	-177.8	-58.1	0	0	0	0	110.5	F288 T334	F288-T311 WeakPolarHBondContact CE2-O 3.47Å; F288-T311 WeakPolarHBondContact CZ-O 3.47Å; T311-T334 CarbonylContact C-O 3.58Å; T311-T334 WeakPolarHBondContact CA-O 3.27Å; T311-T334 HydrophobicContact CG2-CG2 4.2Å
312	L	93.3	Very high	94.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.8	179.2	-78.3	161.7	0	0	0	108.3	F288 V296 F301 L310 I318 T334 L335 T336	F288-L312 HydrophobicContact CE2-CD2 3.65Å; F288-L312 HydrophobicContact CE2-CG 4.26Å; F288-L312 HydrophobicContact CZ-CD2 3.88Å; F288-L312 HydrophobicContact CZ-CG 4.13Å; V296-L312 HydrophobicContact CG2-CD2 3.74Å; F301-L312 HydrophobicContact CE2-CD1 4.25Å; L310-L312 HydrophobicContact CD1-CD1 4.26Å; L310-L312 HydrophobicContact CD1-CG 4.36Å; L310-L312 HydrophobicContact CG-CD1 4.39Å; L312-I318 HydrophobicContact CD1-CD1 4.49Å; L312-T334 PolarHBondContact N-O 3.11Å; L312-L335 HydrophobicContact CB-CB 4.47Å; L312-L335 HydrophobicContact CB-CG 4.05Å; L312-L335 HydrophobicContact CD1-CD1 4.28Å; L312-L335 HydrophobicContact CD1-CG 4.15Å; L312-L335 CarbonylContact O-C 3.4Å; L312-L335 VanDerWaalsContact O-CA 3.27Å; L312-L335 WeakPolarHBondContact O-CA 3.45Å; L312-T336 PolarHBondContact O-N 3.04Å
313	N	91.1	Very high	94.6	Very high	99 Å²	99	49.6 Å²	49.6	53%	0.529	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.9	-178.1	-64.5	-26	0	0	0	110.1	A315 T334 T336	N313-A315 VanDerWaalsContact C-N 3.34Å; N313-T334 WeakPolarHBondContact OD1-CG2 3Å; N313-T336 CarbonylContact C-O 3.5Å; N313-T336 PolarHBondContact OD1-OG1 3.16Å
314	G	84.8	Confident	94.6	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	25%	0.246	S	C	.	.	S	Bend	trans	76	15.4	177.5	0	0	0	0	0	115.3	S316 T336 G337	G314-S316 PolarHBondContact O-N 2.83Å; G314-T336 PolarHBondContact N-O 3.12Å; G314-G337 CarbonylContact C-O 3.16Å
315	A	91.3	Very high	94.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.265	C	S	.	.			trans	-76.6	61.9	-175.9	0	0	0	0	0	112.6	I293 Q294 N313 Q317 I318 G337 A338	I293-A315 WeakPolarHBondContact O-CA 3.31Å; Q294-A315 CarbonylContact O-C 3.18Å; N313-A315 VanDerWaalsContact C-N 3.34Å; A315-Q317 PolarHBondContact O-N 3.13Å; A315-I318 HydrophobicContact CB-CD1 3.46Å; A315-I318 VanDerWaalsContact CB-CD1 3.46Å; A315-I318 HydrophobicContact CB-CG1 3.92Å; A315-I318 WeakPolarHBondContact O-CB 3.37Å; A315-I318 PolarHBondContact O-N 2.74Å; A315-G337 CarbonylContact C-O 3.25Å; A315-G337 PolarHBondContact N-O 2.92Å; A315-A338 WeakPolarHBondContact O-CB 3.39Å
316	S	92.4	Very high	94.4	Very high	47 Å²	47	46.8 Å²	46.8	33%	0.329	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-7	-165.3	58.9	0	0	0	0	117.3	G314 G337 Q339	G314-S316 PolarHBondContact O-N 2.83Å; S316-G337 WeakPolarHBondContact CA-O 3.33Å; S316-G337 PolarHBondContact N-O 3.34Å; S316-Q339 WeakPolarHBondContact O-CG 3.43Å; S316-Q339 PolarHBondContact O-NE2 3.22Å
317	Q	93.2	Very high	94.4	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	6.5	174.9	-50.4	-64.9	-68.8	0	0	112.9	Q294 F295 A315 T319	Q294-Q317 HydrophobicContact CB-CG 4Å; Q294-Q317 WeakPolarHBondContact O-CA 3.26Å; Q294-Q317 VanDerWaalsContact O-CB 3.26Å; Q294-Q317 WeakPolarHBondContact O-CB 3.48Å; Q294-Q317 PolarHBondContact O-N 3.08Å; F295-Q317 HydrophobicContact CB-CB 4.35Å; A315-Q317 PolarHBondContact O-N 3.13Å; Q317-T319 PolarHBondContact O-N 3.07Å
318	I	94.6	Very high	94.3	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.051	26%	0.262	C	S	.	.			trans	-79	111.7	169.5	-61.7	-179.6	0	0	0	108.8	V296 L312 A315 E320 L335 A338 Q339 I340	V296-I318 HydrophobicContact CB-CD1 3.78Å; V296-I318 HydrophobicContact CB-CG1 4.22Å; V296-I318 HydrophobicContact CG2-CD1 3.86Å; L312-I318 HydrophobicContact CD1-CD1 4.49Å; A315-I318 HydrophobicContact CB-CD1 3.46Å; A315-I318 VanDerWaalsContact CB-CD1 3.46Å; A315-I318 HydrophobicContact CB-CG1 3.92Å; A315-I318 WeakPolarHBondContact O-CB 3.37Å; A315-I318 PolarHBondContact O-N 2.74Å; I318-E320 WeakPolarHBondContact CG2-O 3.44Å; I318-L335 HydrophobicContact CD1-CD2 4.45Å; I318-A338 HydrophobicContact CB-CB 4.05Å; I318-Q339 CarbonylContact O-C 3.6Å; I318-Q339 WeakPolarHBondContact O-CA 3.32Å; I318-Q339 PolarHBondContact O-N 3.06Å; I318-I340 HydrophobicContact CG2-CD1 4.14Å; I318-I340 HydrophobicContact CG2-CG1 4.09Å
319	T	94.2	Very high	94.3	Very high	81 Å²	81	42.3 Å²	42.3	50%	0.497	26%	0.258	S	S	.	.			trans	-101.5	-17.8	177.9	57.3	0	0	0	0	113.9	Q317 Q339	Q317-T319 PolarHBondContact O-N 3.07Å; T319-Q339 HydrophobicContact CG2-CB 4.27Å
320	E	95.1	Very high	94.4	Very high	112 Å²	112	38.8 Å²	38.8	52%	0.523	24%	0.237	S	C	.	.	S	Bend	trans	-123.9	149.3	179.8	-71.8	-174.6	-162.9	0	0	110.9	R298 I318	R298-E320 VanDerWaalsContact CD-OE2 3.3Å; R298-E320 WeakPolarHBondContact CD-OE2 3.46Å; R298-E320 IonicContact CZ-OE2 2.74Å; R298-E320 IonicContact NE-OE2 3.06Å; R298-E320 PolarHBondContact NE-OE2 2.87Å; I318-E320 WeakPolarHBondContact CG2-O 3.44Å
321	F	95.9	Very high	94.4	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.044	25%	0.25	C	C	.	.			trans	-66.1	134.2	171.3	-171.6	-89.1	0	0	0	110.9	L324 L333 I340 L343 V347 L351 L359	F321-L324 HydrophobicContact CE1-CD1 4.05Å; F321-L324 HydrophobicContact CZ-CD1 4.16Å; F321-L333 HydrophobicContact CE2-CD2 3.99Å; F321-L333 HydrophobicContact CZ-CD2 3.65Å; F321-I340 HydrophobicContact CB-CD1 4.49Å; F321-I340 HydrophobicContact CB-CG2 4.45Å; F321-I340 HydrophobicContact CD2-CD1 4.42Å; F321-L343 HydrophobicContact CB-CD2 4.19Å; F321-L343 HydrophobicContact CD2-CD2 3.54Å; F321-L343 HydrophobicContact CE2-CD2 4.2Å; F321-L343 HydrophobicContact CG-CD2 4.05Å; F321-V347 HydrophobicContact CD1-CG2 4.02Å; F321-V347 HydrophobicContact CE1-CG2 3.47Å; F321-V347 VanDerWaalsContact CE1-CG2 3.47Å; F321-V347 HydrophobicContact CE2-CG2 4.41Å; F321-V347 HydrophobicContact CZ-CG2 3.69Å; F321-L351 HydrophobicContact CZ-CD1 4.19Å; F321-L359 HydrophobicContact CE2-CD2 4.3Å
322	P	95.7	Very high	94.6	Very high	9 Å²	9	40 Å²	40	6%	0.058	24%	0.241	C	C	.	.			trans	-65.9	150.3	-177.1	27.6	-35.7	0	0	0	112.2	L335	P322-L335 HydrophobicContact CG-CD1 3.98Å
323	D	96.1	Very high	94.8	Very high	31 Å²	31	39.9 Å²	39.9	17%	0.166	24%	0.241	C	C	.	.			trans	-86.5	115.8	176.1	178.3	14.8	0	0	0	110.6	R298 Q302 T325 Q350	R298-D323 HydrophobicContact CG-CB 4.38Å; R298-D323 PolarHBondContact O-N 2.85Å; Q302-D323 HydrophobicContact CG-CB 4.49Å; Q302-D323 VanDerWaalsContact CG-O 3.24Å; Q302-D323 WeakPolarHBondContact CG-O 3.27Å; Q302-D323 PolarHBondContact NE2-OD2 2.89Å; D323-T325 WeakPolarHBondContact OD1-CB 3.5Å; D323-T325 PolarHBondContact OD1-N 2.83Å; D323-T325 PolarHBondContact OD1-OG1 3.03Å; D323-T325 PolarHBondContact OD2-OG1 3.25Å; D323-Q350 PolarHBondContact OD1-NE2 3.44Å
324	L	96.4	Very high	95.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.222	C	C	.	.			trans	-102.1	24.6	-176	-57.9	171.6	0	0	0	111.7	F301 L310 F321 G326 T327 L330 L333 Q350 L351	F301-L324 HydrophobicContact CB-CD2 4.06Å; L310-L324 HydrophobicContact CD2-CD2 4.13Å; F321-L324 HydrophobicContact CE1-CD1 4.05Å; F321-L324 HydrophobicContact CZ-CD1 4.16Å; L324-G326 PolarHBondContact O-N 2.99Å; L324-G326 VanDerWaalsContact O-N 3.17Å; L324-T327 WeakPolarHBondContact O-CB 3.36Å; L324-T327 PolarHBondContact O-N 3.44Å; L324-L330 HydrophobicContact CD1-CD1 3.84Å; L324-L330 HydrophobicContact CD2-CD1 4.26Å; L324-L333 HydrophobicContact CD1-CD2 4.18Å; L324-Q350 HydrophobicContact CB-CB 4.37Å; L324-L351 HydrophobicContact CD1-CD2 3.84Å
325	T	95.5	Very high	95.7	Very high	62 Å²	62	34 Å²	34	38%	0.38	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	119.3	172	-67.1	0	0	0	0	110.9	Q302 H303 D323 Q350	Q302-T325 WeakPolarHBondContact CA-O 3.23Å; H303-T325 PolarHBondContact N-O 3.19Å; D323-T325 WeakPolarHBondContact OD1-CB 3.5Å; D323-T325 PolarHBondContact OD1-N 2.83Å; D323-T325 PolarHBondContact OD1-OG1 3.03Å; D323-T325 PolarHBondContact OD2-OG1 3.25Å; T325-Q350 PolarHBondContact OG1-NE2 3.34Å
326	G	94.4	Very high	95.9	Very high	39 Å²	39	34.9 Å²	34.9	40%	0.402	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	2.6	-176.7	0	0	0	0	0	115.5	P305 L324	P305-G326 WeakPolarHBondContact CA-O 3.24Å; L324-G326 PolarHBondContact O-N 2.99Å; L324-G326 VanDerWaalsContact O-N 3.17Å
327	T	97	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.			trans	-120.6	46.3	-172.4	-53.1	0	0	0	0	110.4	F301 H303 L304 L307 L324 N329 L330	F301-T327 PolarHBondContact O-OG1 3.16Å; H303-T327 PolarHBondContact N-OG1 2.89Å; L304-T327 HydrophobicContact CB-CG2 4.01Å; L304-T327 PolarHBondContact N-OG1 2.9Å; L307-T327 HydrophobicContact CB-CG2 4.29Å; L307-T327 HydrophobicContact CD2-CG2 4.06Å; L324-T327 WeakPolarHBondContact O-CB 3.36Å; L324-T327 PolarHBondContact O-N 3.44Å; T327-N329 PolarHBondContact O-N 3Å; T327-L330 HydrophobicContact CG2-CD1 4.01Å; T327-L330 HydrophobicContact CG2-CG 4.15Å
328	A	95.6	Very high	96.1	Very high	37 Å²	37	29.3 Å²	29.3	31%	0.306	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.3	-165.4	0	0	0	0	0	116.1	Q350 P352 N353	A328-Q350 WeakPolarHBondContact CA-O 3.46Å; A328-P352 HydrophobicContact CB-CG 4.36Å; A328-N353 PolarHBondContact O-ND2 2.7Å
329	N	96.4	Very high	96.2	Very high	60 Å²	60	33 Å²	33	32%	0.321	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12.8	179.8	-69.8	-29.1	0	0	0	113.6	P305 L307 T327 E331 N353	P305-N329 WeakPolarHBondContact O-CB 3.39Å; P305-N329 PolarHBondContact O-ND2 2.96Å; L307-N329 CarbonylContact O-C 3.49Å; T327-N329 PolarHBondContact O-N 3Å; N329-E331 PolarHBondContact O-N 3.06Å; N329-N353 PolarHBondContact OD1-ND2 3.2Å; N329-N353 VanDerWaalsContact OD1-ND2 3.09Å
330	L	97.4	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.			trans	-58.7	125.1	171.3	-75.2	168.8	0	0	0	111.1	L307 L310 L324 T327 L351 N353 L354	L307-L330 HydrophobicContact CD2-CD2 4.11Å; L307-L330 HydrophobicContact CG-CD2 3.97Å; L307-L330 PolarHBondContact O-N 3.42Å; L310-L330 HydrophobicContact CB-CD2 3.92Å; L324-L330 HydrophobicContact CD1-CD1 3.84Å; L324-L330 HydrophobicContact CD2-CD1 4.26Å; T327-L330 HydrophobicContact CG2-CD1 4.01Å; T327-L330 HydrophobicContact CG2-CG 4.15Å; L330-L351 HydrophobicContact CB-CD2 4.2Å; L330-L351 HydrophobicContact CD1-CD2 3.97Å; L330-N353 CarbonylContact O-C 3.45Å; L330-L354 HydrophobicContact CB-CD1 4.3Å; L330-L354 WeakPolarHBondContact O-CA 3.44Å; L330-L354 PolarHBondContact O-N 2.93Å
331	E	97.4	Very high	96.4	Very high	60 Å²	60	26.7 Å²	26.7	28%	0.28	17%	0.17	S	C	.	.	S	Bend	trans	-101	-30.2	175.5	-64	-179.8	-129.4	0	0	110.8	R308 N329 Q355 V356	R308-E331 WeakPolarHBondContact CD-OE1 3.48Å; R308-E331 IonicContact CZ-OE1 2.9Å; R308-E331 IonicContact NE-OE1 2.68Å; R308-E331 IonicContact NH1-OE1 2.7Å; R308-E331 PolarHBondContact NH1-OE1 3.44Å; R308-E331 PolarHBondContact O-N 2.84Å; N329-E331 PolarHBondContact O-N 3.06Å; E331-Q355 WeakPolarHBondContact O-CA 3.36Å; E331-Q355 WeakPolarHBondContact O-CB 3.49Å; E331-Q355 PolarHBondContact O-N 3.43Å; E331-Q355 PolarHBondContact OE2-NE2 2.92Å; E331-V356 PolarHBondContact O-N 2.91Å; E331-V356 VanDerWaalsContact O-N 3.08Å
332	S	97.9	Very high	96.4	Very high	27 Å²	27	29.4 Å²	29.4	19%	0.189	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.6	176.4	-173.9	0	0	0	0	111.7	R308 T309 L310	R308-S332 PolarHBondContact O-N 3.1Å; R308-S332 VanDerWaalsContact O-N 3.09Å; T309-S332 WeakPolarHBondContact CA-O 3.38Å; L310-S332 PolarHBondContact N-O 3.04Å
333	L	97.9	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.1	175.6	178	62.4	0	0	0	110	L310 F321 L324 L351 L354 V356 L357 D358	L310-L333 HydrophobicContact CB-CD1 3.92Å; L310-L333 HydrophobicContact CD2-CD1 3.87Å; L310-L333 HydrophobicContact CG-CD1 3.93Å; L310-L333 WeakPolarHBondContact O-CA 3.1Å; F321-L333 HydrophobicContact CE2-CD2 3.99Å; F321-L333 HydrophobicContact CZ-CD2 3.65Å; L324-L333 HydrophobicContact CD1-CD2 4.18Å; L333-L351 HydrophobicContact CD2-CD1 4.05Å; L333-L351 HydrophobicContact CD2-CD2 4.46Å; L333-L354 HydrophobicContact CB-CD1 3.76Å; L333-L354 HydrophobicContact CB-CD2 4.33Å; L333-V356 PolarHBondContact N-O 3.21Å; L333-L357 HydrophobicContact CB-CD1 4.39Å; L333-L357 HydrophobicContact CD2-CD1 4.08Å; L333-L357 HydrophobicContact CG-CD1 4.33Å; L333-L357 WeakPolarHBondContact O-CA 3.31Å; L333-D358 PolarHBondContact O-N 3.3Å
334	T	97.7	Very high	96.4	Very high	22 Å²	22	30.6 Å²	30.6	14%	0.135	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.3	175	-62.8	0	0	0	0	108.6	L310 T311 L312 N313 T336 D358	L310-T334 PolarHBondContact O-N 3.05Å; T311-T334 CarbonylContact C-O 3.58Å; T311-T334 WeakPolarHBondContact CA-O 3.27Å; T311-T334 HydrophobicContact CG2-CG2 4.2Å; L312-T334 PolarHBondContact N-O 3.11Å; N313-T334 WeakPolarHBondContact OD1-CG2 3Å; T334-T336 HydrophobicContact CG2-CG2 3.8Å; T334-D358 CarbonylContact C-O 3.51Å; T334-D358 WeakPolarHBondContact CA-O 3.5Å; T334-D358 HydrophobicContact CG2-CB 4.12Å
335	L	96.8	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	92.4	176.3	-161	173.9	0	0	0	109.1	L312 I318 P322 A338 I340 D358 L359 N362	L312-L335 HydrophobicContact CB-CB 4.47Å; L312-L335 HydrophobicContact CB-CG 4.05Å; L312-L335 HydrophobicContact CD1-CD1 4.28Å; L312-L335 HydrophobicContact CD1-CG 4.15Å; L312-L335 CarbonylContact O-C 3.4Å; L312-L335 VanDerWaalsContact O-CA 3.27Å; L312-L335 WeakPolarHBondContact O-CA 3.45Å; I318-L335 HydrophobicContact CD1-CD2 4.45Å; P322-L335 HydrophobicContact CG-CD1 3.98Å; L335-A338 HydrophobicContact CD2-CB 3.65Å; L335-I340 HydrophobicContact CD1-CD1 3.76Å; L335-I340 HydrophobicContact CD2-CD1 3.68Å; L335-I340 HydrophobicContact CG-CD1 4.32Å; L335-D358 PolarHBondContact N-O 3.4Å; L335-L359 HydrophobicContact CB-CD2 3.84Å; L335-N362 PolarHBondContact O-ND2 3.4Å
336	T	96.6	Very high	96.2	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.5	-169.7	68.4	0	0	0	0	113	L312 N313 G314 T334 D358 S360	L312-T336 PolarHBondContact O-N 3.04Å; N313-T336 CarbonylContact C-O 3.5Å; N313-T336 PolarHBondContact OD1-OG1 3.16Å; G314-T336 PolarHBondContact N-O 3.12Å; T334-T336 HydrophobicContact CG2-CG2 3.8Å; T336-D358 WeakPolarHBondContact CG2-OD1 3.47Å; T336-S360 WeakPolarHBondContact CA-O 3.33Å; T336-S360 WeakPolarHBondContact CB-O 3.41Å; T336-S360 WeakPolarHBondContact CG2-O 3.43Å; T336-S360 WeakPolarHBondContact CG2-OG 3.45Å
337	G	94.4	Very high	96.2	Very high	27 Å²	27	36.8 Å²	36.8	28%	0.278	22%	0.22	S	C	.	.	S	Bend	trans	68.6	41.1	177.3	0	0	0	0	0	113.2	G314 A315 S316 S360 Y361	G314-G337 CarbonylContact C-O 3.16Å; A315-G337 CarbonylContact C-O 3.25Å; A315-G337 PolarHBondContact N-O 2.92Å; S316-G337 WeakPolarHBondContact CA-O 3.33Å; S316-G337 PolarHBondContact N-O 3.34Å; G337-S360 PolarHBondContact N-O 2.83Å; G337-Y361 WeakPolarHBondContact CA-O 3.22Å; G337-Y361 PolarHBondContact N-O 3.09Å
338	A	95.9	Very high	96.2	Very high	8 Å²	8	37 Å²	37	7%	0.066	22%	0.221	C	C	.	.	S	Bend	trans	-125.8	-176.1	-177.7	0	0	0	0	0	111	A315 I318 L335 I340 Y361 N362	A315-A338 WeakPolarHBondContact O-CB 3.39Å; I318-A338 HydrophobicContact CB-CB 4.05Å; L335-A338 HydrophobicContact CD2-CB 3.65Å; A338-I340 HydrophobicContact CB-CG1 4.48Å; A338-Y361 PolarHBondContact N-O 3.36Å; A338-N362 WeakPolarHBondContact CB-OD1 3.5Å
339	Q	96.6	Very high	96.1	Very high	88 Å²	88	40.2 Å²	40.2	41%	0.411	23%	0.233	S	C	.	.			trans	-114.7	30.1	-173.4	-63.4	-175.4	-9.2	0	0	112.3	S316 I318 T319 S341 L363	S316-Q339 WeakPolarHBondContact O-CG 3.43Å; S316-Q339 PolarHBondContact O-NE2 3.22Å; I318-Q339 CarbonylContact O-C 3.6Å; I318-Q339 WeakPolarHBondContact O-CA 3.32Å; I318-Q339 PolarHBondContact O-N 3.06Å; T319-Q339 HydrophobicContact CG2-CB 4.27Å; Q339-S341 PolarHBondContact O-N 3.08Å; Q339-L363 HydrophobicContact CB-CD1 4.06Å; Q339-L363 HydrophobicContact CG-CD1 4.37Å
340	I	96.8	Very high	96	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	23%	0.229	C	C	.	.			trans	-72.7	118.5	-179.8	-55.5	178.3	0	0	0	109.4	I318 F321 L335 A338 S342 L343 N362 L363 L364	I318-I340 HydrophobicContact CG2-CD1 4.14Å; I318-I340 HydrophobicContact CG2-CG1 4.09Å; F321-I340 HydrophobicContact CB-CD1 4.49Å; F321-I340 HydrophobicContact CB-CG2 4.45Å; F321-I340 HydrophobicContact CD2-CD1 4.42Å; L335-I340 HydrophobicContact CD1-CD1 3.76Å; L335-I340 HydrophobicContact CD2-CD1 3.68Å; L335-I340 HydrophobicContact CG-CD1 4.32Å; A338-I340 HydrophobicContact CB-CG1 4.48Å; I340-S342 WeakPolarHBondContact CG2-O 3.35Å; I340-L343 HydrophobicContact CG2-CD2 4.27Å; I340-N362 PolarHBondContact N-OD1 3.04Å; I340-L363 CarbonylContact O-C 3.38Å; I340-L363 VanDerWaalsContact O-C 3.25Å; I340-L363 WeakPolarHBondContact O-CA 3.48Å; I340-L363 PolarHBondContact O-N 3.17Å; I340-L364 HydrophobicContact CB-CD2 4.47Å; I340-L364 HydrophobicContact CG2-CD2 3.85Å; I340-L364 PolarHBondContact O-N 2.9Å
341	S	95.4	Very high	96	Very high	57 Å²	57	39.9 Å²	39.9	40%	0.399	23%	0.23	S	C	.	.			trans	-93.5	-22.4	-178.5	59.3	0	0	0	0	115	Q339 L363 L364 E365	Q339-S341 PolarHBondContact O-N 3.08Å; S341-L363 WeakPolarHBondContact CA-O 3.23Å; S341-L364 WeakPolarHBondContact O-CA 3.35Å; S341-E365 PolarHBondContact O-N 2.96Å
342	S	96.2	Very high	95.9	Very high	67 Å²	67	39.6 Å²	39.6	47%	0.469	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-156.7	158.8	-178.7	56.7	0	0	0	0	111.8	I340	I340-S342 WeakPolarHBondContact CG2-O 3.35Å
343	L	96.8	Very high	95.8	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	23%	0.234	C	C	.	.			trans	-108.9	146.2	175.8	-59.3	178.9	0	0	0	111.2	F321 I340 Q345 V347 L359 L364 P368 F370	F321-L343 HydrophobicContact CB-CD2 4.19Å; F321-L343 HydrophobicContact CD2-CD2 3.54Å; F321-L343 HydrophobicContact CE2-CD2 4.2Å; F321-L343 HydrophobicContact CG-CD2 4.05Å; I340-L343 HydrophobicContact CG2-CD2 4.27Å; L343-Q345 PolarHBondContact O-N 3.18Å; L343-V347 HydrophobicContact CB-CG1 4.45Å; L343-L359 HydrophobicContact CD1-CD1 3.77Å; L343-L359 HydrophobicContact CD2-CD1 3.96Å; L343-L359 HydrophobicContact CG-CD1 4.45Å; L343-L364 HydrophobicContact CD2-CD2 4.04Å; L343-L364 HydrophobicContact CG-CD2 3.93Å; L343-P368 HydrophobicContact CB-CG 4Å; L343-P368 HydrophobicContact CD1-CG 4.23Å; L343-F370 HydrophobicContact CD1-CE1 4.22Å; L343-F370 HydrophobicContact CD1-CZ 4.05Å
344	P	95.6	Very high	95.8	Very high	55 Å²	55	40.1 Å²	40.1	36%	0.357	23%	0.234	S	C	.	.			trans	-58.4	134.2	170.7	-22.8	33.2	0	0	0	111.5	T346 V347	P344-T346 PolarHBondContact O-N 3.32Å; P344-V347 HydrophobicContact CB-CB 4.4Å; P344-V347 VanDerWaalsContact O-CB 3.24Å; P344-V347 WeakPolarHBondContact O-CB 3.42Å; P344-V347 VanDerWaalsContact O-CG1 3.3Å; P344-V347 WeakPolarHBondContact O-CG1 3.47Å; P344-V347 PolarHBondContact O-N 3.32Å
345	Q	92.9	Very high	95.8	Very high	139 Å²	139	41.8 Å²	41.8	65%	0.65	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	178.8	-68	-64.1	-25.7	0	0	113.7	L343	L343-Q345 PolarHBondContact O-N 3.18Å
346	T	94.3	Very high	95.9	Very high	86 Å²	86	43.8 Å²	43.8	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	12.6	176.1	51.7	0	0	0	0	113.7	P344 C348 N349	P344-T346 PolarHBondContact O-N 3.32Å; T346-C348 VanDerWaalsContact C-N 3.3Å; T346-C348 PolarHBondContact O-N 3.15Å; T346-N349 VanDerWaalsContact O-CB 3.23Å; T346-N349 WeakPolarHBondContact O-CB 3.43Å; T346-N349 PolarHBondContact O-N 3.01Å
347	V	95.3	Very high	96	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.042	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.9	-40.6	-173.6	67.2	0	0	0	0	113	F321 L343 P344 N349 Q350 L351 P368	F321-V347 HydrophobicContact CD1-CG2 4.02Å; F321-V347 HydrophobicContact CE1-CG2 3.47Å; F321-V347 VanDerWaalsContact CE1-CG2 3.47Å; F321-V347 HydrophobicContact CE2-CG2 4.41Å; F321-V347 HydrophobicContact CZ-CG2 3.69Å; L343-V347 HydrophobicContact CB-CG1 4.45Å; P344-V347 HydrophobicContact CB-CB 4.4Å; P344-V347 VanDerWaalsContact O-CB 3.24Å; P344-V347 WeakPolarHBondContact O-CB 3.42Å; P344-V347 VanDerWaalsContact O-CG1 3.3Å; P344-V347 WeakPolarHBondContact O-CG1 3.47Å; P344-V347 PolarHBondContact O-N 3.32Å; V347-N349 PolarHBondContact O-N 3.37Å; V347-Q350 PolarHBondContact O-N 3.36Å; V347-L351 HydrophobicContact CG2-CD1 3.94Å; V347-P368 HydrophobicContact CG1-CG 4.08Å
348	C	95.8	Very high	96.2	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.027	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66.6	-17.4	176.7	-78.2	0	0	0	0	114.5	T346 Q350 L351 V372 C373	T346-C348 VanDerWaalsContact C-N 3.3Å; T346-C348 PolarHBondContact O-N 3.15Å; C348-Q350 PolarHBondContact O-N 3.26Å; C348-L351 CarbonylContact O-C 3.37Å; C348-L351 PolarHBondContact O-N 2.92Å; C348-L351 VanDerWaalsContact O-N 3.09Å; C348-V372 HydrophobicContact CB-CB 3.65Å; C348-V372 HydrophobicContact CB-CG1 4.04Å; C348-C373 WeakPolarHBondContact CA-SG 3.37Å; C348-C373 HydrophobicContact CB-CB 4.06Å; C348-C373 WeakPolarHBondContact CB-SG 3.43Å; C348-C373 WeakPolarHBondContact SG-CB 3.43Å; C348-C373 CovalentContact SG-SG 2.04Å; C348-C373 PolarHBondContact SG-SG 2.99Å
349	N	94.6	Very high	96.3	Very high	105 Å²	105	42.3 Å²	42.3	56%	0.561	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-69.1	-21.9	173.1	-59.1	-5.3	0	0	0	111.8	T346 V347	T346-N349 VanDerWaalsContact O-CB 3.23Å; T346-N349 WeakPolarHBondContact O-CB 3.43Å; T346-N349 PolarHBondContact O-N 3.01Å; V347-N349 PolarHBondContact O-N 3.37Å
350	Q	94.6	Very high	96.4	Very high	49 Å²	49	38.2 Å²	38.2	23%	0.229	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.4	171.5	-62.1	-172.7	-20.8	0	0	112.7	D323 L324 T325 A328 V347 C348 P352	D323-Q350 PolarHBondContact OD1-NE2 3.44Å; L324-Q350 HydrophobicContact CB-CB 4.37Å; T325-Q350 PolarHBondContact OG1-NE2 3.34Å; A328-Q350 WeakPolarHBondContact CA-O 3.46Å; V347-Q350 PolarHBondContact O-N 3.36Å; C348-Q350 PolarHBondContact O-N 3.26Å; Q350-P352 WeakPolarHBondContact O-CD 3.37Å
351	L	96.2	Very high	96.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.237	C	C	.	.			trans	-125.6	45.7	-169.5	-63	170.3	0	0	0	113.8	F321 L324 L330 L333 V347 C348 N353 L354	F321-L351 HydrophobicContact CZ-CD1 4.19Å; L324-L351 HydrophobicContact CD1-CD2 3.84Å; L330-L351 HydrophobicContact CB-CD2 4.2Å; L330-L351 HydrophobicContact CD1-CD2 3.97Å; L333-L351 HydrophobicContact CD2-CD1 4.05Å; L333-L351 HydrophobicContact CD2-CD2 4.46Å; V347-L351 HydrophobicContact CG2-CD1 3.94Å; C348-L351 CarbonylContact O-C 3.37Å; C348-L351 PolarHBondContact O-N 2.92Å; C348-L351 VanDerWaalsContact O-N 3.09Å; L351-N353 PolarHBondContact O-N 2.95Å; L351-L354 HydrophobicContact CB-CB 4.15Å; L351-L354 HydrophobicContact CB-CD2 4.3Å; L351-L354 HydrophobicContact CD1-CD2 4.13Å; L351-L354 PolarHBondContact O-N 2.83Å
352	P	95.4	Very high	96.5	Very high	54 Å²	54	41 Å²	41	35%	0.351	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.6	-174.5	31.4	-38	0	0	0	114	A328 Q350	A328-P352 HydrophobicContact CB-CG 4.36Å; Q350-P352 WeakPolarHBondContact O-CD 3.37Å
353	N	96.5	Very high	96.6	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.4	-178	-72.6	-61.3	0	0	0	114.4	A328 N329 L330 L351 Q355 K375	A328-N353 PolarHBondContact O-ND2 2.7Å; N329-N353 PolarHBondContact OD1-ND2 3.2Å; N329-N353 VanDerWaalsContact OD1-ND2 3.09Å; L330-N353 CarbonylContact O-C 3.45Å; L351-N353 PolarHBondContact O-N 2.95Å; N353-Q355 PolarHBondContact O-N 3.5Å; N353-K375 PolarHBondContact OD1-NZ 2.98Å
354	L	98	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.			trans	-69.2	130.3	-166.6	-164.1	71.3	0	0	0	112.8	L330 L333 L351 V356 L357 K375 L376	L330-L354 HydrophobicContact CB-CD1 4.3Å; L330-L354 WeakPolarHBondContact O-CA 3.44Å; L330-L354 PolarHBondContact O-N 2.93Å; L333-L354 HydrophobicContact CB-CD1 3.76Å; L333-L354 HydrophobicContact CB-CD2 4.33Å; L351-L354 HydrophobicContact CB-CB 4.15Å; L351-L354 HydrophobicContact CB-CD2 4.3Å; L351-L354 HydrophobicContact CD1-CD2 4.13Å; L351-L354 PolarHBondContact O-N 2.83Å; L354-V356 WeakPolarHBondContact CD1-O 3.48Å; L354-L357 HydrophobicContact CD2-CB 3.96Å; L354-L357 HydrophobicContact CD2-CD1 4.04Å; L354-L357 HydrophobicContact CD2-CG 4.47Å; L354-K375 CarbonylContact O-C 3.43Å; L354-K375 WeakPolarHBondContact O-CB 3.42Å; L354-L376 HydrophobicContact CB-CD2 4.34Å; L354-L376 HydrophobicContact CD2-CD2 4.03Å; L354-L376 HydrophobicContact CG-CD2 4.02Å; L354-L376 WeakPolarHBondContact O-CA 3.37Å; L354-L376 PolarHBondContact O-N 2.86Å
355	Q	97.9	Very high	96.7	Very high	57 Å²	57	43.5 Å²	43.5	27%	0.266	22%	0.222	S	C	.	.			trans	-109.1	-34.1	179.4	-59	176.6	62	0	0	111.9	E331 N353 K375 Q377 K378	E331-Q355 WeakPolarHBondContact O-CA 3.36Å; E331-Q355 WeakPolarHBondContact O-CB 3.49Å; E331-Q355 PolarHBondContact O-N 3.43Å; E331-Q355 PolarHBondContact OE2-NE2 2.92Å; N353-Q355 PolarHBondContact O-N 3.5Å; Q355-K375 HydrophobicContact CG-CB 4.41Å; Q355-Q377 PolarHBondContact O-N 2.91Å; Q355-K378 PolarHBondContact O-N 3.14Å; Q355-K378 VanDerWaalsContact O-N 3.08Å
356	V	98.5	Very high	96.8	Very high	43 Å²	43	39.8 Å²	39.8	26%	0.261	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.3	177.8	179.9	0	0	0	0	109.8	E331 L333 L354 K378	E331-V356 PolarHBondContact O-N 2.91Å; E331-V356 VanDerWaalsContact O-N 3.08Å; L333-V356 PolarHBondContact N-O 3.21Å; L354-V356 WeakPolarHBondContact CD1-O 3.48Å; V356-K378 HydrophobicContact CG1-CB 4.32Å; V356-K378 HydrophobicContact CG1-CD 4.24Å; V356-K378 HydrophobicContact CG2-CB 4.31Å
357	L	98.4	Very high	97	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.1	168.9	-178.5	63.4	0	0	0	109.2	L333 L354 L359 F370 L376 K378 I379 D380	L333-L357 HydrophobicContact CB-CD1 4.39Å; L333-L357 HydrophobicContact CD2-CD1 4.08Å; L333-L357 HydrophobicContact CG-CD1 4.33Å; L333-L357 WeakPolarHBondContact O-CA 3.31Å; L354-L357 HydrophobicContact CD2-CB 3.96Å; L354-L357 HydrophobicContact CD2-CD1 4.04Å; L354-L357 HydrophobicContact CD2-CG 4.47Å; L357-L359 HydrophobicContact CD1-CD1 4.02Å; L357-L359 HydrophobicContact CD1-CD2 4.05Å; L357-L359 HydrophobicContact CD1-CG 3.81Å; L357-L359 HydrophobicContact CD2-CD1 4.3Å; L357-L359 HydrophobicContact CG-CD1 4.29Å; L357-L359 HydrophobicContact CG-CG 4.13Å; L357-F370 HydrophobicContact CD2-CD1 4.28Å; L357-F370 HydrophobicContact CD2-CE1 3.7Å; L357-F370 HydrophobicContact CD2-CZ 4.34Å; L357-L376 HydrophobicContact CB-CD2 3.91Å; L357-K378 PolarHBondContact N-O 3.16Å; L357-I379 CarbonylContact O-C 3.51Å; L357-I379 WeakPolarHBondContact O-CA 3.42Å; L357-D380 PolarHBondContact O-N 3.13Å
358	D	98.6	Very high	97	Very high	15 Å²	15	36 Å²	36	8%	0.08	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.2	173.1	-164.1	-38.7	0	0	0	109.3	L333 T334 L335 T336 S360 K378 D380	L333-D358 PolarHBondContact O-N 3.3Å; T334-D358 CarbonylContact C-O 3.51Å; T334-D358 WeakPolarHBondContact CA-O 3.5Å; T334-D358 HydrophobicContact CG2-CB 4.12Å; L335-D358 PolarHBondContact N-O 3.4Å; T336-D358 WeakPolarHBondContact CG2-OD1 3.47Å; D358-S360 VanDerWaalsContact OD1-CB 3.29Å; D358-S360 WeakPolarHBondContact OD1-CB 3.36Å; D358-S360 PolarHBondContact OD1-N 3.12Å; D358-S360 VanDerWaalsContact OD1-N 3.12Å; D358-S360 PolarHBondContact OD1-OG 2.04Å; D358-K378 IonicContact OD2-NZ 2.63Å; D358-K378 PolarHBondContact OD2-NZ 3.43Å; D358-D380 WeakPolarHBondContact CA-O 3.35Å; D358-D380 HydrophobicContact CB-CB 4.19Å
359	L	98.1	Very high	97.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.193	C	C	.	.			trans	-119	31.8	174.9	-52.6	173.4	0	0	0	110.1	F321 L335 L343 L357 N362 L364 D380 L381 N384	F321-L359 HydrophobicContact CE2-CD2 4.3Å; L335-L359 HydrophobicContact CB-CD2 3.84Å; L343-L359 HydrophobicContact CD1-CD1 3.77Å; L343-L359 HydrophobicContact CD2-CD1 3.96Å; L343-L359 HydrophobicContact CG-CD1 4.45Å; L357-L359 HydrophobicContact CD1-CD1 4.02Å; L357-L359 HydrophobicContact CD1-CD2 4.05Å; L357-L359 HydrophobicContact CD1-CG 3.81Å; L357-L359 HydrophobicContact CD2-CD1 4.3Å; L357-L359 HydrophobicContact CG-CD1 4.29Å; L357-L359 HydrophobicContact CG-CG 4.13Å; L359-N362 PolarHBondContact O-ND2 3.11Å; L359-L364 HydrophobicContact CB-CD1 4.09Å; L359-L364 HydrophobicContact CD1-CD1 4.06Å; L359-D380 PolarHBondContact N-O 3.03Å; L359-L381 HydrophobicContact CB-CD2 3.87Å; L359-L381 HydrophobicContact CD1-CD2 4.22Å; L359-L381 HydrophobicContact CG-CD2 4.36Å; L359-N384 PolarHBondContact O-ND2 2.82Å
360	S	98.1	Very high	97.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	17%	0.167	C	C	.	.			trans	-65.2	150.6	179.3	59.5	0	0	0	0	112.7	T336 G337 D358 N362 R382	T336-S360 WeakPolarHBondContact CA-O 3.33Å; T336-S360 WeakPolarHBondContact CB-O 3.41Å; T336-S360 WeakPolarHBondContact CG2-O 3.43Å; T336-S360 WeakPolarHBondContact CG2-OG 3.45Å; G337-S360 PolarHBondContact N-O 2.83Å; D358-S360 VanDerWaalsContact OD1-CB 3.29Å; D358-S360 WeakPolarHBondContact OD1-CB 3.36Å; D358-S360 PolarHBondContact OD1-N 3.12Å; D358-S360 VanDerWaalsContact OD1-N 3.12Å; D358-S360 PolarHBondContact OD1-OG 2.04Å; S360-N362 PolarHBondContact O-ND2 3.05Å; S360-R382 CarbonylContact C-O 3.17Å; S360-R382 WeakPolarHBondContact CA-O 3.4Å; S360-R382 VanDerWaalsContact CB-CG 3.5Å; S360-R382 WeakPolarHBondContact CB-O 3.3Å
361	Y	97.9	Very high	97.2	Very high	109 Å²	109	31.3 Å²	31.3	43%	0.427	16%	0.163	S	C	.	.	S	Bend	trans	57.4	57.4	-174.7	-53.9	-87.5	0	0	0	112.4	G337 A338 R382 H383	G337-Y361 WeakPolarHBondContact CA-O 3.22Å; G337-Y361 PolarHBondContact N-O 3.09Å; A338-Y361 PolarHBondContact N-O 3.36Å; Y361-R382 PolarHBondContact N-O 3.23Å; Y361-H383 WeakPolarHBondContact CA-O 3.17Å; Y361-H383 HydrophobicContact CD1-CB 3.5Å; Y361-H383 AromaticContact CD1-CD2 3.94Å; Y361-H383 AromaticContact CD1-CG 3.73Å; Y361-H383 HydrophobicContact CE1-CB 3.68Å; Y361-H383 AromaticContact CE1-CD2 3.15Å; Y361-H383 WeakPolarHBondContact CE1-CD2 3.24Å; Y361-H383 AromaticContact CE1-CG 3.34Å; Y361-H383 AromaticContact CE1-ND1 3.94Å; Y361-H383 AromaticContact CE1-NE2 3.67Å; Y361-H383 HydrophobicContact CG-CB 4.01Å; Y361-H383 AromaticContact CZ-CD2 3.21Å; Y361-H383 AromaticContact CZ-CG 3.88Å; Y361-H383 AromaticContact CZ-NE2 3.73Å; Y361-H383 PolarHBondContact N-O 3.34Å; Y361-H383 PolarHBondContact OH-CD2 3.39Å; Y361-H383 PolarHBondContact OH-NE2 3.42Å
362	N	98	Very high	97.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-127.1	-166.4	170.2	-80.9	-83.3	0	0	0	109.3	L335 A338 I340 L359 S360 L364 H383 N384	L335-N362 PolarHBondContact O-ND2 3.4Å; A338-N362 WeakPolarHBondContact CB-OD1 3.5Å; I340-N362 PolarHBondContact N-OD1 3.04Å; L359-N362 PolarHBondContact O-ND2 3.11Å; S360-N362 PolarHBondContact O-ND2 3.05Å; N362-L364 HydrophobicContact CB-CG 4.29Å; N362-H383 PolarHBondContact N-O 2.94Å; N362-N384 WeakPolarHBondContact CA-OD1 3.36Å; N362-N384 WeakPolarHBondContact CB-OD1 3.43Å; N362-N384 PolarHBondContact O-OD1 2.77Å
363	L	97.9	Very high	97.2	Very high	75 Å²	75	32.1 Å²	32.1	39%	0.393	17%	0.167	S	C	.	.			trans	-118	26.5	-177.8	-58.2	176.2	0	0	0	111.9	Q339 I340 S341 E365 N384	Q339-L363 HydrophobicContact CB-CD1 4.06Å; Q339-L363 HydrophobicContact CG-CD1 4.37Å; I340-L363 CarbonylContact O-C 3.38Å; I340-L363 VanDerWaalsContact O-C 3.25Å; I340-L363 WeakPolarHBondContact O-CA 3.48Å; I340-L363 PolarHBondContact O-N 3.17Å; S341-L363 WeakPolarHBondContact CA-O 3.23Å; L363-E365 PolarHBondContact O-N 3.37Å; L363-N384 PolarHBondContact N-OD1 2.92Å
364	L	98.3	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.			trans	-65.1	119.2	-172.4	-63.2	173.4	0	0	0	111.3	I340 S341 L343 L359 N362 L381 N384 E385 I386	I340-L364 HydrophobicContact CB-CD2 4.47Å; I340-L364 HydrophobicContact CG2-CD2 3.85Å; I340-L364 PolarHBondContact O-N 2.9Å; S341-L364 WeakPolarHBondContact O-CA 3.35Å; L343-L364 HydrophobicContact CD2-CD2 4.04Å; L343-L364 HydrophobicContact CG-CD2 3.93Å; L359-L364 HydrophobicContact CB-CD1 4.09Å; L359-L364 HydrophobicContact CD1-CD1 4.06Å; N362-L364 HydrophobicContact CB-CG 4.29Å; L364-L381 HydrophobicContact CD1-CD2 4.13Å; L364-N384 HydrophobicContact CB-CB 4.2Å; L364-N384 VanDerWaalsContact CB-OD1 3.28Å; L364-N384 WeakPolarHBondContact CB-OD1 3.24Å; L364-N384 VanDerWaalsContact CG-OD1 3.32Å; L364-N384 WeakPolarHBondContact CG-OD1 3.5Å; L364-N384 PolarHBondContact N-OD1 3.07Å; L364-E385 CarbonylContact O-C 3.5Å; L364-E385 WeakPolarHBondContact O-CA 3.45Å; L364-E385 PolarHBondContact O-N 2.81Å; L364-I386 HydrophobicContact CB-CG1 4.45Å; L364-I386 VanDerWaalsContact O-CG1 3.26Å; L364-I386 WeakPolarHBondContact O-CG1 3.46Å; L364-I386 PolarHBondContact O-N 3.02Å
365	E	96.2	Very high	97	Very high	112 Å²	112	41.1 Å²	41.1	52%	0.523	21%	0.206	S	C	.	.			trans	-95.8	-50.9	175.2	-67.3	177.7	-153	0	0	111.9	S341 L363 E385 I386 Y387	S341-E365 PolarHBondContact O-N 2.96Å; L363-E365 PolarHBondContact O-N 3.37Å; E365-E385 HydrophobicContact CG-CB 3.86Å; E365-I386 WeakPolarHBondContact O-CA 3.32Å; E365-Y387 HydrophobicContact CB-CD1 4.45Å; E365-Y387 HydrophobicContact CB-CE1 4.44Å; E365-Y387 WeakPolarHBondContact O-CD1 3.1Å; E365-Y387 WeakPolarHBondContact O-CE1 3.47Å
366	D	95.3	Very high	97	Very high	61 Å²	61	38.4 Å²	38.4	33%	0.326	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-112.2	131.4	-175.6	-112	-62.3	0	0	0	111.6	Y387 K390	D366-Y387 VanDerWaalsContact CG-OH 3.26Å; D366-Y387 PolarHBondContact OD1-OH 3.14Å; D366-Y387 PolarHBondContact OD2-OH 2.89Å; D366-K390 IonicContact OD1-NZ 3.23Å; D366-K390 PolarHBondContact OD1-NZ 2.99Å
367	L	97	Very high	97	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.058	19%	0.194	C	C	.	.			trans	-100.3	140	179.7	-63.6	-179.6	0	0	0	112	F370 L381 I386 I389 T393 F394	L367-F370 HydrophobicContact CB-CE2 4.32Å; L367-F370 HydrophobicContact CD1-CE2 4.41Å; L367-F370 HydrophobicContact CD2-CE2 4.35Å; L367-F370 HydrophobicContact CD2-CZ 4.4Å; L367-L381 HydrophobicContact CD1-CD1 4.01Å; L367-L381 HydrophobicContact CD2-CD1 4.03Å; L367-I386 HydrophobicContact CD1-CD1 4.04Å; L367-I386 HydrophobicContact CD1-CG2 4.16Å; L367-I386 HydrophobicContact CD2-CD1 4.04Å; L367-I386 HydrophobicContact CD2-CG1 4.35Å; L367-I386 HydrophobicContact CG-CD1 4.24Å; L367-I386 HydrophobicContact CG-CG1 4.38Å; L367-I386 HydrophobicContact CG-CG2 4.27Å; L367-I389 HydrophobicContact CD1-CD1 3.94Å; L367-T393 HydrophobicContact CB-CG2 3.74Å; L367-T393 HydrophobicContact CD1-CG2 3.72Å; L367-T393 HydrophobicContact CG-CG2 4.42Å; L367-F394 HydrophobicContact CD1-CZ 4.06Å
368	P	96.6	Very high	97	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.206	C	C	.	.			trans	-77.5	174.8	169.8	36.2	-36.6	0	0	0	111.1	L343 V347 F370	L343-P368 HydrophobicContact CB-CG 4Å; L343-P368 HydrophobicContact CD1-CG 4.23Å; V347-P368 HydrophobicContact CG1-CG 4.08Å; P368-F370 HydrophobicContact CG-CE1 4.25Å; P368-F370 HydrophobicContact CG-CZ 4.18Å; P368-F370 PolarHBondContact O-N 3.15Å
369	S	96.6	Very high	97	Very high	37 Å²	37	41.1 Å²	41.1	26%	0.259	20%	0.202	S	C	.	.			trans	-74	120.1	166.2	-179.9	0	0	0	0	110.8	S371 D392	S369-S371 VanDerWaalsContact C-N 3.28Å; S369-S371 PolarHBondContact O-N 3.16Å; S369-S371 WeakPolarHBondContact OG-CB 3.2Å; S369-S371 PolarHBondContact OG-N 3.3Å; S369-S371 PolarHBondContact OG-OG 2.67Å; S369-S371 VanDerWaalsContact OG-OG 3.07Å; S369-D392 WeakPolarHBondContact CB-O 3.33Å; S369-D392 PolarHBondContact OG-O 2.98Å
370	F	97	Very high	97	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.203	C	C	.	.			trans	-82.7	-0.8	175.5	-65.9	-74.3	0	0	0	113.2	L343 L357 L367 P368 V372 C373 L376 T393 F394 L397	L343-F370 HydrophobicContact CD1-CE1 4.22Å; L343-F370 HydrophobicContact CD1-CZ 4.05Å; L357-F370 HydrophobicContact CD2-CD1 4.28Å; L357-F370 HydrophobicContact CD2-CE1 3.7Å; L357-F370 HydrophobicContact CD2-CZ 4.34Å; L367-F370 HydrophobicContact CB-CE2 4.32Å; L367-F370 HydrophobicContact CD1-CE2 4.41Å; L367-F370 HydrophobicContact CD2-CE2 4.35Å; L367-F370 HydrophobicContact CD2-CZ 4.4Å; P368-F370 HydrophobicContact CG-CE1 4.25Å; P368-F370 HydrophobicContact CG-CZ 4.18Å; P368-F370 PolarHBondContact O-N 3.15Å; F370-V372 PolarHBondContact O-N 3.35Å; F370-C373 WeakPolarHBondContact O-CA 3.1Å; F370-C373 WeakPolarHBondContact O-CB 3.34Å; F370-C373 PolarHBondContact O-N 2.76Å; F370-L376 HydrophobicContact CB-CD1 4.48Å; F370-T393 WeakPolarHBondContact CB-O 3.34Å; F370-T393 HydrophobicContact CD2-CG2 4.08Å; F370-T393 WeakPolarHBondContact CD2-O 3.42Å; F370-T393 HydrophobicContact CE2-CG2 4.18Å; F370-T393 PolarHBondContact N-O 3.3Å; F370-F394 AromaticContact CD2-CD1 3.99Å; F370-F394 HydrophobicContact CD2-CD1 3.99Å; F370-F394 AromaticContact CD2-CE1 3.77Å; F370-F394 HydrophobicContact CD2-CE1 3.77Å; F370-F394 HydrophobicContact CE2-CE1 4.01Å; F370-L397 HydrophobicContact CB-CD1 4.11Å; F370-L397 WeakPolarHBondContact O-CD2 3.27Å
371	S	94.7	Very high	97	Very high	22 Å²	22	41.2 Å²	41.2	15%	0.154	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-18	-171.3	-59.8	0	0	0	0	116.5	S369 Q374 Q395	S369-S371 VanDerWaalsContact C-N 3.28Å; S369-S371 PolarHBondContact O-N 3.16Å; S369-S371 WeakPolarHBondContact OG-CB 3.2Å; S369-S371 PolarHBondContact OG-N 3.3Å; S369-S371 PolarHBondContact OG-OG 2.67Å; S369-S371 VanDerWaalsContact OG-OG 3.07Å; S371-Q374 WeakPolarHBondContact O-CG 3.39Å; S371-Q395 WeakPolarHBondContact CA-O 3.34Å; S371-Q395 VanDerWaalsContact CB-O 3.27Å; S371-Q395 WeakPolarHBondContact CB-O 3.42Å; S371-Q395 PolarHBondContact OG-O 2.82Å
372	V	95.4	Very high	97	Very high	74 Å²	74	39.8 Å²	39.8	45%	0.448	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-25.7	174.4	175.9	0	0	0	0	111.9	C348 F370 Q374	C348-V372 HydrophobicContact CB-CB 3.65Å; C348-V372 HydrophobicContact CB-CG1 4.04Å; F370-V372 PolarHBondContact O-N 3.35Å; V372-Q374 PolarHBondContact O-N 3.43Å
373	C	95.7	Very high	97.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.208	C	C	.	.			trans	-77.8	53.8	174.3	-67.8	0	0	0	0	112	C348 F370 K375 L376	C348-C373 WeakPolarHBondContact CA-SG 3.37Å; C348-C373 HydrophobicContact CB-CB 4.06Å; C348-C373 WeakPolarHBondContact CB-SG 3.43Å; C348-C373 WeakPolarHBondContact SG-CB 3.43Å; C348-C373 CovalentContact SG-SG 2.04Å; C348-C373 PolarHBondContact SG-SG 2.99Å; F370-C373 WeakPolarHBondContact O-CA 3.1Å; F370-C373 WeakPolarHBondContact O-CB 3.34Å; F370-C373 PolarHBondContact O-N 2.76Å; C373-K375 PolarHBondContact O-N 2.94Å; C373-L376 HydrophobicContact CB-CD1 3.4Å; C373-L376 VanDerWaalsContact CB-CD1 3.4Å; C373-L376 HydrophobicContact CB-CG 3.81Å; C373-L376 WeakPolarHBondContact O-CB 3.3Å; C373-L376 WeakPolarHBondContact O-CG 3.12Å; C373-L376 PolarHBondContact O-N 2.99Å; C373-L376 VanDerWaalsContact O-N 3.11Å
374	Q	94.1	Very high	97.1	Very high	126 Å²	126	39 Å²	39	59%	0.589	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.1	-167	-65.9	-179.5	-9.7	0	0	115.9	S371 V372 S399	S371-Q374 WeakPolarHBondContact O-CG 3.39Å; V372-Q374 PolarHBondContact O-N 3.43Å; Q374-S399 PolarHBondContact O-OG 3.34Å
375	K	96.7	Very high	97.1	Very high	100 Å²	100	42 Å²	42	44%	0.435	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.1	179.6	-61.7	-166.7	-169.2	172	0	114.4	N353 L354 Q355 C373 Q377	N353-K375 PolarHBondContact OD1-NZ 2.98Å; L354-K375 CarbonylContact O-C 3.43Å; L354-K375 WeakPolarHBondContact O-CB 3.42Å; Q355-K375 HydrophobicContact CG-CB 4.41Å; C373-K375 PolarHBondContact O-N 2.94Å; K375-Q377 PolarHBondContact O-N 2.93Å
376	L	98	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.			trans	-59.1	128.3	-177.7	-79.5	171.6	0	0	0	112.1	L354 L357 F370 C373 I379 L397 S399 L400	L354-L376 HydrophobicContact CB-CD2 4.34Å; L354-L376 HydrophobicContact CD2-CD2 4.03Å; L354-L376 HydrophobicContact CG-CD2 4.02Å; L354-L376 WeakPolarHBondContact O-CA 3.37Å; L354-L376 PolarHBondContact O-N 2.86Å; L357-L376 HydrophobicContact CB-CD2 3.91Å; F370-L376 HydrophobicContact CB-CD1 4.48Å; C373-L376 HydrophobicContact CB-CD1 3.4Å; C373-L376 VanDerWaalsContact CB-CD1 3.4Å; C373-L376 HydrophobicContact CB-CG 3.81Å; C373-L376 WeakPolarHBondContact O-CB 3.3Å; C373-L376 WeakPolarHBondContact O-CG 3.12Å; C373-L376 PolarHBondContact O-N 2.99Å; C373-L376 VanDerWaalsContact O-N 3.11Å; L376-I379 HydrophobicContact CD1-CD1 3.96Å; L376-I379 HydrophobicContact CD1-CG1 4.1Å; L376-I379 HydrophobicContact CD2-CG1 4.46Å; L376-L397 HydrophobicContact CD1-CD2 4.49Å; L376-S399 CarbonylContact O-C 3.52Å; L376-S399 WeakPolarHBondContact O-CB 3.45Å; L376-L400 HydrophobicContact CB-CD1 4.47Å; L376-L400 WeakPolarHBondContact O-CA 3.28Å; L376-L400 PolarHBondContact O-N 3.43Å; L376-L400 VanDerWaalsContact O-N 3.07Å
377	Q	97.9	Very high	97.3	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	18%	0.182	S	C	.	.			trans	-115.8	-33.8	178.3	-71.7	171.4	64.9	0	0	112	Q355 K375 R401 S402	Q355-Q377 PolarHBondContact O-N 2.91Å; K375-Q377 PolarHBondContact O-N 2.93Å; Q377-R401 PolarHBondContact O-N 3.08Å; Q377-S402 PolarHBondContact O-N 2.89Å; Q377-S402 VanDerWaalsContact O-N 3.09Å
378	K	98.6	Very high	97.3	Very high	63 Å²	63	41 Å²	41	27%	0.274	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.7	171.5	-172.9	-164.4	178.7	-143.5	0	110.4	Q355 V356 L357 D358 D380 S402	Q355-K378 PolarHBondContact O-N 3.14Å; Q355-K378 VanDerWaalsContact O-N 3.08Å; V356-K378 HydrophobicContact CG1-CB 4.32Å; V356-K378 HydrophobicContact CG1-CD 4.24Å; V356-K378 HydrophobicContact CG2-CB 4.31Å; L357-K378 PolarHBondContact N-O 3.16Å; D358-K378 IonicContact OD2-NZ 2.63Å; D358-K378 PolarHBondContact OD2-NZ 3.43Å; K378-D380 WeakPolarHBondContact CE-OD2 3.46Å; K378-D380 IonicContact NZ-OD2 3.97Å; K378-D380 PolarHBondContact NZ-OD2 3.11Å; K378-S402 WeakPolarHBondContact CA-O 3.43Å
379	I	98.6	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.4	164.3	-65.7	171.4	0	0	0	108	L357 L376 L381 F394 L397 L400 S402 L403 N404	L357-I379 CarbonylContact O-C 3.51Å; L357-I379 WeakPolarHBondContact O-CA 3.42Å; L376-I379 HydrophobicContact CD1-CD1 3.96Å; L376-I379 HydrophobicContact CD1-CG1 4.1Å; L376-I379 HydrophobicContact CD2-CG1 4.46Å; I379-L381 HydrophobicContact CG2-CD1 3.74Å; I379-L381 HydrophobicContact CG2-CG 3.71Å; I379-F394 HydrophobicContact CD1-CD1 3.95Å; I379-F394 HydrophobicContact CD1-CE1 3.92Å; I379-F394 HydrophobicContact CG2-CE1 4.45Å; I379-L397 HydrophobicContact CD1-CD1 3.84Å; I379-L400 HydrophobicContact CB-CD1 4.29Å; I379-L400 HydrophobicContact CD1-CD1 3.82Å; I379-L400 HydrophobicContact CD1-CD2 4.11Å; I379-L400 HydrophobicContact CG1-CD1 3.75Å; I379-S402 PolarHBondContact N-O 2.99Å; I379-L403 HydrophobicContact CB-CD1 3.82Å; I379-L403 HydrophobicContact CG2-CD1 3.7Å; I379-N404 PolarHBondContact O-N 3Å
380	D	98.7	Very high	97.4	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.2	172.8	-153.9	-39.3	0	0	0	110.1	L357 D358 L359 K378 R382 N404	L357-D380 PolarHBondContact O-N 3.13Å; D358-D380 WeakPolarHBondContact CA-O 3.35Å; D358-D380 HydrophobicContact CB-CB 4.19Å; L359-D380 PolarHBondContact N-O 3.03Å; K378-D380 WeakPolarHBondContact CE-OD2 3.46Å; K378-D380 IonicContact NZ-OD2 3.97Å; K378-D380 PolarHBondContact NZ-OD2 3.11Å; D380-R382 VanDerWaalsContact OD1-CG 3.28Å; D380-R382 WeakPolarHBondContact OD1-CG 3.36Å; D380-R382 PolarHBondContact OD1-N 3.02Å; D380-R382 IonicContact OD1-NE 3.81Å; D380-R382 PolarHBondContact OD1-NE 2.94Å; D380-R382 VanDerWaalsContact OD1-NE 3.11Å; D380-R382 IonicContact OD2-NE 2.71Å; D380-R382 IonicContact OD2-NH2 2.97Å; D380-N404 HydrophobicContact CB-CB 4.42Å; D380-N404 PolarHBondContact OD1-ND2 2.89Å; D380-N404 PolarHBondContact OD2-ND2 2.67Å
381	L	98.5	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.			trans	-129.9	20.4	-176.4	-62.4	174.2	0	0	0	110.7	L359 L364 L367 I379 N384 I386 F394 N404 L405 N408	L359-L381 HydrophobicContact CB-CD2 3.87Å; L359-L381 HydrophobicContact CD1-CD2 4.22Å; L359-L381 HydrophobicContact CG-CD2 4.36Å; L364-L381 HydrophobicContact CD1-CD2 4.13Å; L367-L381 HydrophobicContact CD1-CD1 4.01Å; L367-L381 HydrophobicContact CD2-CD1 4.03Å; I379-L381 HydrophobicContact CG2-CD1 3.74Å; I379-L381 HydrophobicContact CG2-CG 3.71Å; L381-N384 PolarHBondContact O-ND2 2.88Å; L381-I386 HydrophobicContact CB-CD1 4.02Å; L381-I386 HydrophobicContact CD1-CD1 4.29Å; L381-F394 HydrophobicContact CD1-CZ 4.41Å; L381-N404 PolarHBondContact N-O 3.16Å; L381-L405 HydrophobicContact CB-CD2 4.05Å; L381-L405 HydrophobicContact CD1-CD2 4.05Å; L381-N408 PolarHBondContact O-ND2 3.07Å
382	R	98.1	Very high	97.4	Very high	79 Å²	79	46.7 Å²	46.7	30%	0.298	22%	0.219	S	C	.	.			trans	-63.4	154	-179.6	70.1	-174.1	142.3	135.5	12.7	112.6	S360 Y361 D380 N384 N404 A406	S360-R382 CarbonylContact C-O 3.17Å; S360-R382 WeakPolarHBondContact CA-O 3.4Å; S360-R382 VanDerWaalsContact CB-CG 3.5Å; S360-R382 WeakPolarHBondContact CB-O 3.3Å; Y361-R382 PolarHBondContact N-O 3.23Å; D380-R382 VanDerWaalsContact OD1-CG 3.28Å; D380-R382 WeakPolarHBondContact OD1-CG 3.36Å; D380-R382 PolarHBondContact OD1-N 3.02Å; D380-R382 IonicContact OD1-NE 3.81Å; D380-R382 PolarHBondContact OD1-NE 2.94Å; D380-R382 VanDerWaalsContact OD1-NE 3.11Å; D380-R382 IonicContact OD2-NE 2.71Å; D380-R382 IonicContact OD2-NH2 2.97Å; R382-N384 PolarHBondContact O-ND2 3Å; R382-N404 WeakPolarHBondContact CD-ND2 3.29Å; R382-A406 CarbonylContact C-O 3.28Å; R382-A406 WeakPolarHBondContact CA-O 3.48Å; R382-A406 HydrophobicContact CB-CB 4.12Å; R382-A406 VanDerWaalsContact CB-O 3.23Å; R382-A406 WeakPolarHBondContact CB-O 3.19Å
383	H	98.3	Very high	97.4	Very high	62 Å²	62	43.2 Å²	43.2	29%	0.287	20%	0.198	S	C	.	.	S	Bend	trans	52.7	65.1	-175.9	-63.9	-82.6	0	0	0	111.1	Y361 N362 A406 W407	Y361-H383 WeakPolarHBondContact CA-O 3.17Å; Y361-H383 HydrophobicContact CD1-CB 3.5Å; Y361-H383 AromaticContact CD1-CD2 3.94Å; Y361-H383 AromaticContact CD1-CG 3.73Å; Y361-H383 HydrophobicContact CE1-CB 3.68Å; Y361-H383 AromaticContact CE1-CD2 3.15Å; Y361-H383 WeakPolarHBondContact CE1-CD2 3.24Å; Y361-H383 AromaticContact CE1-CG 3.34Å; Y361-H383 AromaticContact CE1-ND1 3.94Å; Y361-H383 AromaticContact CE1-NE2 3.67Å; Y361-H383 HydrophobicContact CG-CB 4.01Å; Y361-H383 AromaticContact CZ-CD2 3.21Å; Y361-H383 AromaticContact CZ-CG 3.88Å; Y361-H383 AromaticContact CZ-NE2 3.73Å; Y361-H383 PolarHBondContact N-O 3.34Å; Y361-H383 PolarHBondContact OH-CD2 3.39Å; Y361-H383 PolarHBondContact OH-NE2 3.42Å; N362-H383 PolarHBondContact N-O 2.94Å; H383-A406 PolarHBondContact N-O 3.42Å; H383-W407 WeakPolarHBondContact CA-O 3Å; H383-W407 AromaticContact CE1-CD1 3.62Å; H383-W407 AromaticContact CE1-CD2 3.71Å; H383-W407 AromaticContact CE1-CG 3.3Å; H383-W407 PolarHBondContact N-O 2.88Å; H383-W407 WeakPolarHBondContact ND1-CB 3.27Å; H383-W407 AromaticContact ND1-CG 3.76Å; H383-W407 AromaticContact NE2-CD1 3.49Å; H383-W407 AromaticContact NE2-CG 3.65Å
384	N	98.6	Very high	97.5	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.027	20%	0.198	C	C	.	.	S	Bend	trans	-135.7	-175.6	171.2	-85.2	-80.4	0	0	0	108.3	L359 N362 L363 L364 L381 R382 I386 W407 N408	L359-N384 PolarHBondContact O-ND2 2.82Å; N362-N384 WeakPolarHBondContact CA-OD1 3.36Å; N362-N384 WeakPolarHBondContact CB-OD1 3.43Å; N362-N384 PolarHBondContact O-OD1 2.77Å; L363-N384 PolarHBondContact N-OD1 2.92Å; L364-N384 HydrophobicContact CB-CB 4.2Å; L364-N384 VanDerWaalsContact CB-OD1 3.28Å; L364-N384 WeakPolarHBondContact CB-OD1 3.24Å; L364-N384 VanDerWaalsContact CG-OD1 3.32Å; L364-N384 WeakPolarHBondContact CG-OD1 3.5Å; L364-N384 PolarHBondContact N-OD1 3.07Å; L381-N384 PolarHBondContact O-ND2 2.88Å; R382-N384 PolarHBondContact O-ND2 3Å; N384-I386 HydrophobicContact CB-CD1 4.1Å; N384-I386 HydrophobicContact CB-CG1 4.06Å; N384-W407 PolarHBondContact N-O 2.74Å; N384-N408 WeakPolarHBondContact CA-OD1 3.42Å; N384-N408 WeakPolarHBondContact CB-OD1 3.03Å; N384-N408 PolarHBondContact O-OD1 2.91Å; N384-N408 VanDerWaalsContact O-OD1 3.09Å
385	E	98.3	Very high	97.5	Very high	63 Å²	63	40.6 Å²	40.6	29%	0.294	19%	0.186	S	C	.	.			trans	-106.8	18.8	-173.1	-64.9	-65.8	163.9	0	0	112.3	L364 E365 Y387 K409	L364-E385 CarbonylContact O-C 3.5Å; L364-E385 WeakPolarHBondContact O-CA 3.45Å; L364-E385 PolarHBondContact O-N 2.81Å; E365-E385 HydrophobicContact CG-CB 3.86Å; E385-Y387 PolarHBondContact O-N 3.25Å; E385-K409 IonicContact OE1-NZ 3.65Å; E385-K409 VanDerWaalsContact OE2-CD 3.26Å; E385-K409 WeakPolarHBondContact OE2-CD 3.28Å; E385-K409 WeakPolarHBondContact OE2-CE 3.29Å; E385-K409 IonicContact OE2-NZ 2.71Å; E385-K409 PolarHBondContact OE2-NZ 3.47Å
386	I	98.6	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.185	C	C	.	.			trans	-66.1	127.1	-169.4	-54.2	161.6	0	0	0	110.2	L364 E365 L367 L381 N384 I389 L405 N408 K409 I410	L364-I386 HydrophobicContact CB-CG1 4.45Å; L364-I386 VanDerWaalsContact O-CG1 3.26Å; L364-I386 WeakPolarHBondContact O-CG1 3.46Å; L364-I386 PolarHBondContact O-N 3.02Å; E365-I386 WeakPolarHBondContact O-CA 3.32Å; L367-I386 HydrophobicContact CD1-CD1 4.04Å; L367-I386 HydrophobicContact CD1-CG2 4.16Å; L367-I386 HydrophobicContact CD2-CD1 4.04Å; L367-I386 HydrophobicContact CD2-CG1 4.35Å; L367-I386 HydrophobicContact CG-CD1 4.24Å; L367-I386 HydrophobicContact CG-CG1 4.38Å; L367-I386 HydrophobicContact CG-CG2 4.27Å; L381-I386 HydrophobicContact CB-CD1 4.02Å; L381-I386 HydrophobicContact CD1-CD1 4.29Å; N384-I386 HydrophobicContact CB-CD1 4.1Å; N384-I386 HydrophobicContact CB-CG1 4.06Å; I386-I389 HydrophobicContact CG2-CD1 3.84Å; I386-L405 HydrophobicContact CD1-CD2 4Å; I386-N408 HydrophobicContact CB-CB 4.3Å; I386-N408 VanDerWaalsContact CB-OD1 3.29Å; I386-N408 WeakPolarHBondContact CB-OD1 3.42Å; I386-N408 WeakPolarHBondContact CD1-OD1 3.46Å; I386-N408 VanDerWaalsContact CG1-OD1 3.23Å; I386-N408 WeakPolarHBondContact CG1-OD1 3.32Å; I386-N408 PolarHBondContact N-OD1 2.89Å; I386-N408 VanDerWaalsContact N-OD1 3.1Å; I386-K409 CarbonylContact O-C 3.12Å; I386-K409 WeakPolarHBondContact O-CA 3.48Å; I386-K409 PolarHBondContact O-N 3.43Å; I386-I410 HydrophobicContact CB-CG1 4.3Å; I386-I410 HydrophobicContact CG2-CG1 4.14Å; I386-I410 WeakPolarHBondContact O-CG1 3.29Å; I386-I410 PolarHBondContact O-N 2.92Å
387	Y	97.2	Very high	97.3	Very high	93 Å²	93	40.1 Å²	40.1	37%	0.365	19%	0.185	S	C	.	.			trans	-107.8	-25.7	-173.1	65.9	-90.9	0	0	0	114.9	E365 D366 E385 K390 I410 A411	E365-Y387 HydrophobicContact CB-CD1 4.45Å; E365-Y387 HydrophobicContact CB-CE1 4.44Å; E365-Y387 WeakPolarHBondContact O-CD1 3.1Å; E365-Y387 WeakPolarHBondContact O-CE1 3.47Å; D366-Y387 VanDerWaalsContact CG-OH 3.26Å; D366-Y387 PolarHBondContact OD1-OH 3.14Å; D366-Y387 PolarHBondContact OD2-OH 2.89Å; E385-Y387 PolarHBondContact O-N 3.25Å; Y387-K390 PolarHBondContact OH-NZ 3.28Å; Y387-I410 WeakPolarHBondContact O-CA 3.12Å; Y387-A411 PolarHBondContact O-N 2.78Å
388	E	97.4	Very high	97.2	Very high	68 Å²	68	41.8 Å²	41.8	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142	-179.1	-178	-177.4	-152.4	0	0	110.8	K390 I412	E388-K390 HydrophobicContact CG-CG 4.11Å; E388-K390 WeakPolarHBondContact OE2-CE 3.45Å; E388-K390 IonicContact OE2-NZ 2.94Å; E388-I412 WeakPolarHBondContact CA-O 3.47Å
389	I	98.1	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.6	167	-56.2	-57.7	0	0	0	109.9	L367 I386 F394 L405 I410 I412 I413 H414 A417 F418	L367-I389 HydrophobicContact CD1-CD1 3.94Å; I386-I389 HydrophobicContact CG2-CD1 3.84Å; I389-F394 HydrophobicContact CD1-CE2 4.11Å; I389-F394 HydrophobicContact CG2-CD2 3.84Å; I389-F394 HydrophobicContact CG2-CE2 3.7Å; I389-L405 HydrophobicContact CD1-CD1 4.16Å; I389-L405 HydrophobicContact CD1-CD2 4.19Å; I389-L405 HydrophobicContact CG1-CD1 4.35Å; I389-I410 HydrophobicContact CD1-CD1 3.96Å; I389-I410 HydrophobicContact CD1-CG1 4.5Å; I389-I410 HydrophobicContact CG1-CD1 3.93Å; I389-I410 HydrophobicContact CG1-CG1 4.43Å; I389-I410 HydrophobicContact CG1-CG2 4.05Å; I389-I412 PolarHBondContact N-O 2.65Å; I389-I412 VanDerWaalsContact N-O 3.09Å; I389-I413 HydrophobicContact CB-CB 4.39Å; I389-I413 HydrophobicContact CB-CG1 4.15Å; I389-I413 HydrophobicContact CB-CG2 4.06Å; I389-I413 HydrophobicContact CG1-CG1 4.18Å; I389-I413 HydrophobicContact CG2-CG2 4.25Å; I389-H414 PolarHBondContact O-N 3.49Å; I389-A417 HydrophobicContact CG2-CB 4.03Å; I389-F418 HydrophobicContact CG2-CE1 4.43Å
390	K	96.9	Very high	97	Very high	56 Å²	56	41 Å²	41	24%	0.243	20%	0.198	C	C	.	.			trans	-88.1	167.6	-173.1	-65	161.7	-174.9	169.8	0	111.1	D366 Y387 E388 D392 T393 A417	D366-K390 IonicContact OD1-NZ 3.23Å; D366-K390 PolarHBondContact OD1-NZ 2.99Å; Y387-K390 PolarHBondContact OH-NZ 3.28Å; E388-K390 HydrophobicContact CG-CG 4.11Å; E388-K390 WeakPolarHBondContact OE2-CE 3.45Å; E388-K390 IonicContact OE2-NZ 2.94Å; K390-D392 VanDerWaalsContact C-N 3.29Å; K390-D392 PolarHBondContact O-N 3.45Å; K390-T393 PolarHBondContact N-OG1 3.35Å; K390-T393 PolarHBondContact O-OG1 2.88Å; K390-A417 WeakPolarHBondContact O-CB 3.34Å
391	V	95.9	Very high	97	Very high	58 Å²	58	47.3 Å²	47.3	35%	0.352	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.6	-172.4	67.7	0	0	0	0	113.6	H414 N416	V391-H414 WeakPolarHBondContact CB-ND1 3.46Å; V391-H414 WeakPolarHBondContact CG2-ND1 3.33Å; V391-N416 HydrophobicContact CG2-CB 4.05Å
392	D	94.9	Very high	96.9	Very high	67 Å²	67	48.8 Å²	48.8	36%	0.358	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12	-173.7	60.6	-51.5	0	0	0	113.2	S369 K390 F394	S369-D392 WeakPolarHBondContact CB-O 3.33Å; S369-D392 PolarHBondContact OG-O 2.98Å; K390-D392 VanDerWaalsContact C-N 3.29Å; K390-D392 PolarHBondContact O-N 3.45Å; D392-F394 PolarHBondContact O-N 2.96Å
393	T	97	Very high	97	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-51	-177.3	-53.5	0	0	0	0	112.2	L367 F370 K390	L367-T393 HydrophobicContact CB-CG2 3.74Å; L367-T393 HydrophobicContact CD1-CG2 3.72Å; L367-T393 HydrophobicContact CG-CG2 4.42Å; F370-T393 WeakPolarHBondContact CB-O 3.34Å; F370-T393 HydrophobicContact CD2-CG2 4.08Å; F370-T393 WeakPolarHBondContact CD2-O 3.42Å; F370-T393 HydrophobicContact CE2-CG2 4.18Å; F370-T393 PolarHBondContact N-O 3.3Å; K390-T393 PolarHBondContact N-OG1 3.35Å; K390-T393 PolarHBondContact O-OG1 2.88Å
394	F	96.8	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	21.2	-176	-57.6	-62	0	0	0	113.5	L367 F370 I379 L381 I389 D392 L397 L403 L405 F418 L421	L367-F394 HydrophobicContact CD1-CZ 4.06Å; F370-F394 AromaticContact CD2-CD1 3.99Å; F370-F394 HydrophobicContact CD2-CD1 3.99Å; F370-F394 AromaticContact CD2-CE1 3.77Å; F370-F394 HydrophobicContact CD2-CE1 3.77Å; F370-F394 HydrophobicContact CE2-CE1 4.01Å; I379-F394 HydrophobicContact CD1-CD1 3.95Å; I379-F394 HydrophobicContact CD1-CE1 3.92Å; I379-F394 HydrophobicContact CG2-CE1 4.45Å; L381-F394 HydrophobicContact CD1-CZ 4.41Å; I389-F394 HydrophobicContact CD1-CE2 4.11Å; I389-F394 HydrophobicContact CG2-CD2 3.84Å; I389-F394 HydrophobicContact CG2-CE2 3.7Å; D392-F394 PolarHBondContact O-N 2.96Å; F394-L397 HydrophobicContact CB-CD1 4.23Å; F394-L397 HydrophobicContact CD1-CD1 4.11Å; F394-L403 HydrophobicContact CD1-CD1 4.49Å; F394-L403 HydrophobicContact CD2-CD2 4.06Å; F394-L403 HydrophobicContact CE1-CD1 3.89Å; F394-L403 HydrophobicContact CE2-CD1 4.38Å; F394-L403 HydrophobicContact CE2-CD2 3.99Å; F394-L403 HydrophobicContact CG-CD2 4.38Å; F394-L403 HydrophobicContact CZ-CD1 3.83Å; F394-L403 HydrophobicContact CZ-CD2 4.27Å; F394-L405 HydrophobicContact CE2-CD1 4.08Å; F394-L405 HydrophobicContact CZ-CD1 4.32Å; F394-L405 HydrophobicContact CZ-CD2 4.39Å; F394-F418 AromaticContact CD2-CE1 4Å; F394-F418 HydrophobicContact CD2-CE1 4Å; F394-F418 HydrophobicContact CE2-CE1 4.45Å; F394-L421 HydrophobicContact CB-CD1 4.27Å; F394-L421 HydrophobicContact CB-CD2 4.45Å; F394-L421 VanDerWaalsContact O-CD2 3.24Å; F394-L421 WeakPolarHBondContact O-CD2 3.16Å
395	Q	94.1	Very high	97	Very high	73 Å²	73	42.9 Å²	42.9	34%	0.341	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	144.9	-174.1	-148.3	-177	8.7	0	0	111.9	S371 L397 T420	S371-Q395 WeakPolarHBondContact CA-O 3.34Å; S371-Q395 VanDerWaalsContact CB-O 3.27Å; S371-Q395 WeakPolarHBondContact CB-O 3.42Å; S371-Q395 PolarHBondContact OG-O 2.82Å; Q395-L397 PolarHBondContact O-N 3.28Å; Q395-T420 WeakPolarHBondContact CA-OG1 3.27Å; Q395-T420 HydrophobicContact CG-CG2 4.49Å; Q395-T420 VanDerWaalsContact CG-OG1 3.32Å; Q395-T420 WeakPolarHBondContact CG-OG1 3.21Å
396	Q	94	Very high	97	Very high	89 Å²	89	40 Å²	40	42%	0.416	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.6	176.2	-56.3	-62	-26.1	0	0	116.3	L398 T420	Q396-L398 PolarHBondContact O-N 3.27Å; Q396-T420 PolarHBondContact N-OG1 3.33Å
397	L	96.3	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.			trans	-80.1	67	174.6	-58.6	179.1	0	0	0	111.2	F370 L376 I379 F394 Q395 S399 L400 L421	F370-L397 HydrophobicContact CB-CD1 4.11Å; F370-L397 WeakPolarHBondContact O-CD2 3.27Å; L376-L397 HydrophobicContact CD1-CD2 4.49Å; I379-L397 HydrophobicContact CD1-CD1 3.84Å; F394-L397 HydrophobicContact CB-CD1 4.23Å; F394-L397 HydrophobicContact CD1-CD1 4.11Å; Q395-L397 PolarHBondContact O-N 3.28Å; L397-S399 PolarHBondContact O-N 3.36Å; L397-L400 HydrophobicContact CB-CB 3.91Å; L397-L400 HydrophobicContact CB-CD2 4.38Å; L397-L400 HydrophobicContact CD1-CD2 4.06Å; L397-L400 WeakPolarHBondContact O-CB 3.11Å; L397-L400 PolarHBondContact O-N 3.07Å; L397-L421 HydrophobicContact CB-CD2 3.68Å
398	L	95.8	Very high	97	Very high	93 Å²	93	43 Å²	43	49%	0.487	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.6	-173.6	-57.4	-179.1	0	0	0	113.8	Q396 P422 S423	Q396-L398 PolarHBondContact O-N 3.27Å; L398-P422 HydrophobicContact CD2-CG 4.01Å; L398-S423 VanDerWaalsContact O-CB 3.26Å; L398-S423 WeakPolarHBondContact O-CB 3.35Å; L398-S423 PolarHBondContact O-OG 2.81Å
399	S	96.7	Very high	97.1	Very high	46 Å²	46	44.9 Å²	44.9	32%	0.322	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.1	-178.8	-51.3	0	0	0	0	114.1	Q374 L376 L397 R401	Q374-S399 PolarHBondContact O-OG 3.34Å; L376-S399 CarbonylContact O-C 3.52Å; L376-S399 WeakPolarHBondContact O-CB 3.45Å; L397-S399 PolarHBondContact O-N 3.36Å; S399-R401 PolarHBondContact O-N 3.37Å
400	L	97.8	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.			trans	-71.6	118.4	-168.2	-173.1	69	0	0	0	111.4	L376 I379 L397 L403 L421 S423 L424	L376-L400 HydrophobicContact CB-CD1 4.47Å; L376-L400 WeakPolarHBondContact O-CA 3.28Å; L376-L400 PolarHBondContact O-N 3.43Å; L376-L400 VanDerWaalsContact O-N 3.07Å; I379-L400 HydrophobicContact CB-CD1 4.29Å; I379-L400 HydrophobicContact CD1-CD1 3.82Å; I379-L400 HydrophobicContact CD1-CD2 4.11Å; I379-L400 HydrophobicContact CG1-CD1 3.75Å; L397-L400 HydrophobicContact CB-CB 3.91Å; L397-L400 HydrophobicContact CB-CD2 4.38Å; L397-L400 HydrophobicContact CD1-CD2 4.06Å; L397-L400 WeakPolarHBondContact O-CB 3.11Å; L397-L400 PolarHBondContact O-N 3.07Å; L400-L403 HydrophobicContact CD2-CB 4.34Å; L400-L421 HydrophobicContact CB-CD2 4.3Å; L400-L421 HydrophobicContact CD2-CD1 4.24Å; L400-L421 HydrophobicContact CD2-CD2 3.89Å; L400-S423 CarbonylContact O-C 3.24Å; L400-L424 HydrophobicContact CD2-CD1 4.16Å; L400-L424 HydrophobicContact CG-CD1 4Å; L400-L424 WeakPolarHBondContact O-CA 3.26Å; L400-L424 PolarHBondContact O-N 2.97Å; L400-L424 VanDerWaalsContact O-N 3.13Å
401	R	96.9	Very high	97.1	Very high	140 Å²	140	44.3 Å²	44.3	53%	0.528	22%	0.219	S	C	.	.			trans	-104	-30.2	-178.4	-59.1	-177.2	-173.2	178.6	1.7	113.6	Q377 S399 S423 I425 K426	Q377-R401 PolarHBondContact O-N 3.08Å; S399-R401 PolarHBondContact O-N 3.37Å; R401-S423 WeakPolarHBondContact CA-O 3.47Å; R401-I425 HydrophobicContact CB-CD1 4.39Å; R401-I425 HydrophobicContact CG-CD1 4.33Å; R401-I425 PolarHBondContact O-N 2.93Å; R401-K426 PolarHBondContact O-N 3.13Å
402	S	98.3	Very high	97.1	Very high	32 Å²	32	46.5 Å²	46.5	22%	0.224	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.1	-175.2	-173.6	0	0	0	0	110.9	Q377 K378 I379 K426	Q377-S402 PolarHBondContact O-N 2.89Å; Q377-S402 VanDerWaalsContact O-N 3.09Å; K378-S402 WeakPolarHBondContact CA-O 3.43Å; I379-S402 PolarHBondContact N-O 2.99Å; S402-K426 WeakPolarHBondContact CA-O 3.35Å
403	L	98.4	Very high	97.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.5	173.7	177.4	58	0	0	0	109.5	I379 F394 L400 L405 F418 L424 K426 L427 D428	I379-L403 HydrophobicContact CB-CD1 3.82Å; I379-L403 HydrophobicContact CG2-CD1 3.7Å; F394-L403 HydrophobicContact CD1-CD1 4.49Å; F394-L403 HydrophobicContact CD2-CD2 4.06Å; F394-L403 HydrophobicContact CE1-CD1 3.89Å; F394-L403 HydrophobicContact CE2-CD1 4.38Å; F394-L403 HydrophobicContact CE2-CD2 3.99Å; F394-L403 HydrophobicContact CG-CD2 4.38Å; F394-L403 HydrophobicContact CZ-CD1 3.83Å; F394-L403 HydrophobicContact CZ-CD2 4.27Å; L400-L403 HydrophobicContact CD2-CB 4.34Å; L403-L405 HydrophobicContact CD1-CD1 4.15Å; L403-L405 HydrophobicContact CD1-CG 4.1Å; L403-L405 HydrophobicContact CD2-CD1 3.96Å; L403-L405 HydrophobicContact CG-CD1 3.97Å; L403-L405 HydrophobicContact CG-CG 4.23Å; L403-F418 HydrophobicContact CD2-CD1 4.43Å; L403-F418 HydrophobicContact CD2-CE1 3.79Å; L403-L424 HydrophobicContact CB-CD1 3.98Å; L403-K426 PolarHBondContact N-O 3.24Å; L403-L427 HydrophobicContact CB-CD1 4.13Å; L403-L427 HydrophobicContact CD2-CD1 4.03Å; L403-L427 HydrophobicContact CG-CD1 4.09Å; L403-L427 WeakPolarHBondContact O-CA 3.32Å; L403-D428 PolarHBondContact O-N 3.04Å
404	N	98.7	Very high	97.2	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.4	177.2	-175.3	5	0	0	0	110.6	I379 D380 L381 R382 A406 D428	I379-N404 PolarHBondContact O-N 3Å; D380-N404 HydrophobicContact CB-CB 4.42Å; D380-N404 PolarHBondContact OD1-ND2 2.89Å; D380-N404 PolarHBondContact OD2-ND2 2.67Å; L381-N404 PolarHBondContact N-O 3.16Å; R382-N404 WeakPolarHBondContact CD-ND2 3.29Å; N404-A406 WeakPolarHBondContact OD1-CB 3.36Å; N404-A406 PolarHBondContact OD1-N 3.12Å; N404-A406 VanDerWaalsContact OD1-N 3.12Å; N404-D428 HydrophobicContact CB-CB 4.42Å
405	L	98.6	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.			trans	-127.7	17.7	-179.1	-73.4	164.8	0	0	0	110.9	L381 I386 I389 F394 L403 N408 I410 D428 L429 N432	L381-L405 HydrophobicContact CB-CD2 4.05Å; L381-L405 HydrophobicContact CD1-CD2 4.05Å; I386-L405 HydrophobicContact CD1-CD2 4Å; I389-L405 HydrophobicContact CD1-CD1 4.16Å; I389-L405 HydrophobicContact CD1-CD2 4.19Å; I389-L405 HydrophobicContact CG1-CD1 4.35Å; F394-L405 HydrophobicContact CE2-CD1 4.08Å; F394-L405 HydrophobicContact CZ-CD1 4.32Å; F394-L405 HydrophobicContact CZ-CD2 4.39Å; L403-L405 HydrophobicContact CD1-CD1 4.15Å; L403-L405 HydrophobicContact CD1-CG 4.1Å; L403-L405 HydrophobicContact CD2-CD1 3.96Å; L403-L405 HydrophobicContact CG-CD1 3.97Å; L403-L405 HydrophobicContact CG-CG 4.23Å; L405-N408 PolarHBondContact O-ND2 3.24Å; L405-I410 HydrophobicContact CB-CD1 3.94Å; L405-I410 HydrophobicContact CD1-CD1 4.29Å; L405-I410 HydrophobicContact CD2-CD1 4.21Å; L405-I410 HydrophobicContact CG-CD1 4.39Å; L405-D428 WeakPolarHBondContact CA-O 3.12Å; L405-D428 PolarHBondContact N-O 3.19Å; L405-L429 HydrophobicContact CB-CD2 3.78Å; L405-L429 HydrophobicContact CD1-CD2 3.95Å; L405-N432 PolarHBondContact O-ND2 3.08Å
406	A	98.4	Very high	97.1	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.258	C	S	.	.			trans	-60.6	151.9	-177.8	0	0	0	0	0	113	R382 H383 N404 N408 D428 S430	R382-A406 CarbonylContact C-O 3.28Å; R382-A406 WeakPolarHBondContact CA-O 3.48Å; R382-A406 HydrophobicContact CB-CB 4.12Å; R382-A406 VanDerWaalsContact CB-O 3.23Å; R382-A406 WeakPolarHBondContact CB-O 3.19Å; H383-A406 PolarHBondContact N-O 3.42Å; N404-A406 WeakPolarHBondContact OD1-CB 3.36Å; N404-A406 PolarHBondContact OD1-N 3.12Å; N404-A406 VanDerWaalsContact OD1-N 3.12Å; A406-N408 PolarHBondContact O-ND2 2.83Å; A406-D428 PolarHBondContact N-O 3.15Å; A406-S430 CarbonylContact C-O 3.45Å; A406-S430 WeakPolarHBondContact CA-O 3.26Å
407	W	98.4	Very high	97.2	Very high	146 Å²	146	47.1 Å²	47.1	55%	0.553	24%	0.238	S	C	*	.	S	Bend	trans	53.4	57.7	178.8	-58.3	92.1	0	0	0	112.2	H383 N384 S430 S431	H383-W407 WeakPolarHBondContact CA-O 3Å; H383-W407 AromaticContact CE1-CD1 3.62Å; H383-W407 AromaticContact CE1-CD2 3.71Å; H383-W407 AromaticContact CE1-CG 3.3Å; H383-W407 PolarHBondContact N-O 2.88Å; H383-W407 WeakPolarHBondContact ND1-CB 3.27Å; H383-W407 AromaticContact ND1-CG 3.76Å; H383-W407 AromaticContact NE2-CD1 3.49Å; H383-W407 AromaticContact NE2-CG 3.65Å; N384-W407 PolarHBondContact N-O 2.74Å; W407-S430 PolarHBondContact N-O 2.96Å; W407-S431 WeakPolarHBondContact CA-O 3.33Å; W407-S431 VanDerWaalsContact CE2-OG 3.3Å; W407-S431 VanDerWaalsContact CE3-CB 3.41Å; W407-S431 VanDerWaalsContact CH2-OG 3.32Å; W407-S431 WeakPolarHBondContact CH2-OG 3.47Å; W407-S431 WeakPolarHBondContact CZ2-OG 3.43Å
408	N	98.6	Very high	97.2	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-127	-177.6	172.1	-84.4	-86.9	0	0	0	109	L381 N384 I386 L405 A406 I410 S431 N432	L381-N408 PolarHBondContact O-ND2 3.07Å; N384-N408 WeakPolarHBondContact CA-OD1 3.42Å; N384-N408 WeakPolarHBondContact CB-OD1 3.03Å; N384-N408 PolarHBondContact O-OD1 2.91Å; N384-N408 VanDerWaalsContact O-OD1 3.09Å; I386-N408 HydrophobicContact CB-CB 4.3Å; I386-N408 VanDerWaalsContact CB-OD1 3.29Å; I386-N408 WeakPolarHBondContact CB-OD1 3.42Å; I386-N408 WeakPolarHBondContact CD1-OD1 3.46Å; I386-N408 VanDerWaalsContact CG1-OD1 3.23Å; I386-N408 WeakPolarHBondContact CG1-OD1 3.32Å; I386-N408 PolarHBondContact N-OD1 2.89Å; I386-N408 VanDerWaalsContact N-OD1 3.1Å; L405-N408 PolarHBondContact O-ND2 3.24Å; A406-N408 PolarHBondContact O-ND2 2.83Å; N408-I410 HydrophobicContact CB-CD1 4.13Å; N408-I410 HydrophobicContact CB-CG1 3.94Å; N408-S431 PolarHBondContact N-O 2.97Å; N408-N432 WeakPolarHBondContact CA-OD1 3.19Å; N408-N432 WeakPolarHBondContact CB-OD1 3.3Å; N408-N432 PolarHBondContact O-OD1 3.03Å
409	K	97.9	Very high	97.1	Very high	108 Å²	108	45.7 Å²	45.7	47%	0.47	23%	0.233	S	C	.	.			trans	-103.8	24.1	179.4	-69.1	178	178.7	163.7	0	112.4	E385 I386 A411 L433	E385-K409 IonicContact OE1-NZ 3.65Å; E385-K409 VanDerWaalsContact OE2-CD 3.26Å; E385-K409 WeakPolarHBondContact OE2-CD 3.28Å; E385-K409 WeakPolarHBondContact OE2-CE 3.29Å; E385-K409 IonicContact OE2-NZ 2.71Å; E385-K409 PolarHBondContact OE2-NZ 3.47Å; I386-K409 CarbonylContact O-C 3.12Å; I386-K409 WeakPolarHBondContact O-CA 3.48Å; I386-K409 PolarHBondContact O-N 3.43Å; K409-A411 PolarHBondContact O-N 3.05Å; K409-L433 HydrophobicContact CB-CD1 4.25Å
410	I	98.4	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.			trans	-65.9	111.1	-170.4	-55	166.6	0	0	0	109.1	I386 Y387 I389 L405 N408 I412 I413 L429 N432 L433 L434	I386-I410 HydrophobicContact CB-CG1 4.3Å; I386-I410 HydrophobicContact CG2-CG1 4.14Å; I386-I410 WeakPolarHBondContact O-CG1 3.29Å; I386-I410 PolarHBondContact O-N 2.92Å; Y387-I410 WeakPolarHBondContact O-CA 3.12Å; I389-I410 HydrophobicContact CD1-CD1 3.96Å; I389-I410 HydrophobicContact CD1-CG1 4.5Å; I389-I410 HydrophobicContact CG1-CD1 3.93Å; I389-I410 HydrophobicContact CG1-CG1 4.43Å; I389-I410 HydrophobicContact CG1-CG2 4.05Å; L405-I410 HydrophobicContact CB-CD1 3.94Å; L405-I410 HydrophobicContact CD1-CD1 4.29Å; L405-I410 HydrophobicContact CD2-CD1 4.21Å; L405-I410 HydrophobicContact CG-CD1 4.39Å; N408-I410 HydrophobicContact CB-CD1 4.13Å; N408-I410 HydrophobicContact CB-CG1 3.94Å; I410-I412 WeakPolarHBondContact CG2-O 3.29Å; I410-I413 HydrophobicContact CG2-CD1 4.36Å; I410-I413 HydrophobicContact CG2-CG1 3.72Å; I410-L429 HydrophobicContact CD1-CD2 4.17Å; I410-N432 HydrophobicContact CB-CB 4.41Å; I410-N432 VanDerWaalsContact CB-OD1 3.23Å; I410-N432 WeakPolarHBondContact CB-OD1 3.23Å; I410-N432 VanDerWaalsContact CG1-OD1 3.25Å; I410-N432 WeakPolarHBondContact CG1-OD1 3.03Å; I410-N432 PolarHBondContact N-OD1 3.46Å; I410-L433 CarbonylContact O-C 3.14Å; I410-L433 VanDerWaalsContact O-C 3.28Å; I410-L433 WeakPolarHBondContact O-CA 3.41Å; I410-L433 PolarHBondContact O-N 3.11Å; I410-L434 HydrophobicContact CB-CD2 4.39Å; I410-L434 HydrophobicContact CG2-CD2 3.85Å; I410-L434 WeakPolarHBondContact O-CD2 3.18Å; I410-L434 PolarHBondContact O-N 2.61Å
411	A	96.5	Very high	96.9	Very high	43 Å²	43	45 Å²	45	36%	0.355	23%	0.227	S	C	.	.			trans	-97.1	-29.5	177.3	0	0	0	0	0	112.1	Y387 K409 L433	Y387-A411 PolarHBondContact O-N 2.78Å; K409-A411 PolarHBondContact O-N 3.05Å; A411-L433 HydrophobicContact CB-CB 4.27Å
412	I	96.3	Very high	96.8	Very high	105 Å²	105	42.2 Å²	42.2	54%	0.538	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.4	-175.6	-57.2	179.3	0	0	0	109.8	E388 I389 I410	E388-I412 WeakPolarHBondContact CA-O 3.47Å; I389-I412 PolarHBondContact N-O 2.65Å; I389-I412 VanDerWaalsContact N-O 3.09Å; I410-I412 WeakPolarHBondContact CG2-O 3.29Å
413	I	97.5	Very high	96.7	Very high	17 Å²	17	43 Å²	43	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	167.1	-58.4	173.4	0	0	0	107	I389 I410 A417 F418 L429 L434 P438	I389-I413 HydrophobicContact CB-CB 4.39Å; I389-I413 HydrophobicContact CB-CG1 4.15Å; I389-I413 HydrophobicContact CB-CG2 4.06Å; I389-I413 HydrophobicContact CG1-CG1 4.18Å; I389-I413 HydrophobicContact CG2-CG2 4.25Å; I410-I413 HydrophobicContact CG2-CD1 4.36Å; I410-I413 HydrophobicContact CG2-CG1 3.72Å; I413-A417 HydrophobicContact CG2-CB 4.1Å; I413-F418 HydrophobicContact CD1-CE2 4.19Å; I413-F418 HydrophobicContact CD1-CZ 4.24Å; I413-F418 HydrophobicContact CG2-CD2 4.48Å; I413-F418 HydrophobicContact CG2-CE2 3.79Å; I413-F418 HydrophobicContact CG2-CZ 3.92Å; I413-L429 HydrophobicContact CD1-CD1 3.93Å; I413-L429 HydrophobicContact CD1-CD2 3.99Å; I413-L434 HydrophobicContact CD1-CD1 4.1Å; I413-L434 HydrophobicContact CD1-CD2 3.75Å; I413-L434 HydrophobicContact CG1-CD2 3.84Å; I413-P438 HydrophobicContact CB-CG 4.2Å; I413-P438 HydrophobicContact CG2-CG 3.75Å
414	H	97	Very high	96.6	Very high	73 Å²	73	43.2 Å²	43.2	34%	0.338	23%	0.233	S	C	.	.			trans	-63.4	133	177.8	-177.4	-93.8	0	0	0	110.9	I389 V391 N416 A417	I389-H414 PolarHBondContact O-N 3.49Å; V391-H414 WeakPolarHBondContact CB-ND1 3.46Å; V391-H414 WeakPolarHBondContact CG2-ND1 3.33Å; H414-N416 PolarHBondContact ND1-N 3.09Å; H414-N416 PolarHBondContact O-N 2.73Å; H414-A417 HydrophobicContact CB-CB 4.45Å; H414-A417 VanDerWaalsContact O-CB 3.26Å; H414-A417 WeakPolarHBondContact O-CB 3.42Å; H414-A417 PolarHBondContact O-N 3.36Å
415	P	94.2	Very high	96.4	Very high	74 Å²	74	45.3 Å²	45.3	48%	0.481	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.3	-172.1	-30.7	36.2	0	0	0	115.8	T440	P415-T440 PolarHBondContact O-OG1 2.83Å
416	N	95.3	Very high	96.4	Very high	79 Å²	79	49.6 Å²	49.6	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.1	-179.4	-64.9	-16.4	0	0	0	114.7	V391 H414 F418 T419	V391-N416 HydrophobicContact CG2-CB 4.05Å; H414-N416 PolarHBondContact ND1-N 3.09Å; H414-N416 PolarHBondContact O-N 2.73Å; N416-F418 PolarHBondContact O-N 3.48Å; N416-F418 VanDerWaalsContact O-N 3.12Å; N416-T419 HydrophobicContact CB-CG2 3.96Å; N416-T419 WeakPolarHBondContact O-CB 3.28Å; N416-T419 WeakPolarHBondContact O-CG2 3.48Å; N416-T419 PolarHBondContact O-N 2.97Å; N416-T419 VanDerWaalsContact O-N 3.08Å; N416-T419 PolarHBondContact O-OG1 2.54Å
417	A	96	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.2	-172.3	0	0	0	0	0	114.2	I389 K390 I413 H414	I389-A417 HydrophobicContact CG2-CB 4.03Å; K390-A417 WeakPolarHBondContact O-CB 3.34Å; I413-A417 HydrophobicContact CG2-CB 4.1Å; H414-A417 HydrophobicContact CB-CB 4.45Å; H414-A417 VanDerWaalsContact O-CB 3.26Å; H414-A417 WeakPolarHBondContact O-CB 3.42Å; H414-A417 PolarHBondContact O-N 3.36Å
418	F	96.2	Very high	96.3	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	5.6	-179.7	-52.6	-43.8	0	0	0	114.4	I389 F394 L403 I413 N416 T420 L421 L427 P438 L442	I389-F418 HydrophobicContact CG2-CE1 4.43Å; F394-F418 AromaticContact CD2-CE1 4Å; F394-F418 HydrophobicContact CD2-CE1 4Å; F394-F418 HydrophobicContact CE2-CE1 4.45Å; L403-F418 HydrophobicContact CD2-CD1 4.43Å; L403-F418 HydrophobicContact CD2-CE1 3.79Å; I413-F418 HydrophobicContact CD1-CE2 4.19Å; I413-F418 HydrophobicContact CD1-CZ 4.24Å; I413-F418 HydrophobicContact CG2-CD2 4.48Å; I413-F418 HydrophobicContact CG2-CE2 3.79Å; I413-F418 HydrophobicContact CG2-CZ 3.92Å; N416-F418 PolarHBondContact O-N 3.48Å; N416-F418 VanDerWaalsContact O-N 3.12Å; F418-T420 PolarHBondContact O-N 3.16Å; F418-T420 VanDerWaalsContact O-N 3.12Å; F418-L421 HydrophobicContact CB-CD1 4.06Å; F418-L421 HydrophobicContact CD1-CD1 3.72Å; F418-L421 HydrophobicContact CG-CD1 4.31Å; F418-L421 PolarHBondContact O-N 2.8Å; F418-L427 HydrophobicContact CE2-CD2 4.32Å; F418-P438 HydrophobicContact CD2-CG 3.87Å; F418-P438 HydrophobicContact CE2-CG 3.89Å; F418-L442 HydrophobicContact CB-CD2 3.64Å; F418-L442 HydrophobicContact CB-CG 4.11Å; F418-L442 HydrophobicContact CD2-CD1 3.9Å; F418-L442 HydrophobicContact CD2-CD2 4.08Å; F418-L442 HydrophobicContact CD2-CG 4.24Å; F418-L442 HydrophobicContact CG-CD2 4.04Å
419	T	93.9	Very high	96.3	Very high	61 Å²	61	43.6 Å²	43.6	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.2	-173.6	51.2	0	0	0	0	115.3	N416	N416-T419 HydrophobicContact CB-CG2 3.96Å; N416-T419 WeakPolarHBondContact O-CB 3.28Å; N416-T419 WeakPolarHBondContact O-CG2 3.48Å; N416-T419 PolarHBondContact O-N 2.97Å; N416-T419 VanDerWaalsContact O-N 3.08Å; N416-T419 PolarHBondContact O-OG1 2.54Å
420	T	94.4	Very high	96.3	Very high	29 Å²	29	38.8 Å²	38.8	18%	0.178	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	31.6	-174.9	51.1	0	0	0	0	112.5	Q395 Q396 F418 P422	Q395-T420 WeakPolarHBondContact CA-OG1 3.27Å; Q395-T420 HydrophobicContact CG-CG2 4.49Å; Q395-T420 VanDerWaalsContact CG-OG1 3.32Å; Q395-T420 WeakPolarHBondContact CG-OG1 3.21Å; Q396-T420 PolarHBondContact N-OG1 3.33Å; F418-T420 PolarHBondContact O-N 3.16Å; F418-T420 VanDerWaalsContact O-N 3.12Å; T420-P422 WeakPolarHBondContact O-CD 3.46Å
421	L	95.6	Very high	96.3	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.231	C	C	.	.			trans	-113.9	60.2	179.2	-60.4	-177.1	0	0	0	112.2	F394 L397 L400 F418 S423 L424	F394-L421 HydrophobicContact CB-CD1 4.27Å; F394-L421 HydrophobicContact CB-CD2 4.45Å; F394-L421 VanDerWaalsContact O-CD2 3.24Å; F394-L421 WeakPolarHBondContact O-CD2 3.16Å; L397-L421 HydrophobicContact CB-CD2 3.68Å; L400-L421 HydrophobicContact CB-CD2 4.3Å; L400-L421 HydrophobicContact CD2-CD1 4.24Å; L400-L421 HydrophobicContact CD2-CD2 3.89Å; F418-L421 HydrophobicContact CB-CD1 4.06Å; F418-L421 HydrophobicContact CD1-CD1 3.72Å; F418-L421 HydrophobicContact CG-CD1 4.31Å; F418-L421 PolarHBondContact O-N 2.8Å; L421-S423 PolarHBondContact O-N 3.49Å; L421-L424 HydrophobicContact CB-CB 4.04Å; L421-L424 HydrophobicContact CB-CD2 4.48Å; L421-L424 HydrophobicContact CD1-CD2 4.05Å; L421-L424 WeakPolarHBondContact O-CB 3.33Å; L421-L424 PolarHBondContact O-N 2.85Å
422	P	94.1	Very high	96.4	Very high	82 Å²	82	38.4 Å²	38.4	53%	0.532	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.3	-171.1	28.6	-37.4	0	0	0	114.4	L398 T420	L398-P422 HydrophobicContact CD2-CG 4.01Å; T420-P422 WeakPolarHBondContact O-CD 3.46Å
423	S	95.4	Very high	96.4	Very high	47 Å²	47	38.6 Å²	38.6	33%	0.329	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.7	179.8	-59.6	0	0	0	0	113.8	L398 L400 R401 L421 I425	L398-S423 VanDerWaalsContact O-CB 3.26Å; L398-S423 WeakPolarHBondContact O-CB 3.35Å; L398-S423 PolarHBondContact O-OG 2.81Å; L400-S423 CarbonylContact O-C 3.24Å; R401-S423 WeakPolarHBondContact CA-O 3.47Å; L421-S423 PolarHBondContact O-N 3.49Å; S423-I425 WeakPolarHBondContact O-CG1 3.45Å; S423-I425 PolarHBondContact O-N 2.81Å
424	L	96.4	Very high	96.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	21%	0.213	C	C	.	.			trans	-76.3	115.2	-171.1	-167.6	73.7	0	0	0	111.5	L400 L403 L421 L427 L442 G444 L445	L400-L424 HydrophobicContact CD2-CD1 4.16Å; L400-L424 HydrophobicContact CG-CD1 4Å; L400-L424 WeakPolarHBondContact O-CA 3.26Å; L400-L424 PolarHBondContact O-N 2.97Å; L400-L424 VanDerWaalsContact O-N 3.13Å; L403-L424 HydrophobicContact CB-CD1 3.98Å; L421-L424 HydrophobicContact CB-CB 4.04Å; L421-L424 HydrophobicContact CB-CD2 4.48Å; L421-L424 HydrophobicContact CD1-CD2 4.05Å; L421-L424 WeakPolarHBondContact O-CB 3.33Å; L421-L424 PolarHBondContact O-N 2.85Å; L424-L427 HydrophobicContact CD2-CB 4.49Å; L424-L442 HydrophobicContact CD2-CD2 3.71Å; L424-G444 CarbonylContact O-C 3.02Å; L424-L445 HydrophobicContact CD2-CD2 4.06Å; L424-L445 HydrophobicContact CG-CD2 3.93Å
425	I	95.7	Very high	96.2	Very high	65 Å²	65	37.8 Å²	37.8	33%	0.333	22%	0.221	S	C	.	.			trans	-108.8	-29.6	-172.6	-69.1	160.2	0	0	0	111	R401 S423 T446 H447	R401-I425 HydrophobicContact CB-CD1 4.39Å; R401-I425 HydrophobicContact CG-CD1 4.33Å; R401-I425 PolarHBondContact O-N 2.93Å; S423-I425 WeakPolarHBondContact O-CG1 3.45Å; S423-I425 PolarHBondContact O-N 2.81Å; I425-T446 HydrophobicContact CG2-CG2 4.07Å; I425-T446 WeakPolarHBondContact CG2-OG1 3.46Å; I425-T446 PolarHBondContact O-N 3.37Å; I425-T446 PolarHBondContact O-OG1 2.87Å; I425-T446 VanDerWaalsContact O-OG1 3.1Å; I425-H447 PolarHBondContact O-N 2.95Å
426	K	97.5	Very high	96.1	Very high	89 Å²	89	38 Å²	38	39%	0.387	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127	-179.5	-49.5	-160.4	-178.1	-158.1	0	111.6	R401 S402 L403 H447	R401-K426 PolarHBondContact O-N 3.13Å; S402-K426 WeakPolarHBondContact CA-O 3.35Å; L403-K426 PolarHBondContact N-O 3.24Å; K426-H447 WeakPolarHBondContact CA-O 3.3Å; K426-H447 HydrophobicContact CB-CB 4.06Å; K426-H447 HydrophobicContact CD-CB 4.2Å; K426-H447 WeakPolarHBondContact CE-NE2 3.32Å; K426-H447 HydrophobicContact CG-CB 3.9Å; K426-H447 PolarHBondContact NZ-CE1 2.67Å; K426-H447 PolarHBondContact NZ-NE2 3.23Å
427	L	98.1	Very high	96.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.8	174.3	179.7	59.4	0	0	0	110.2	L403 F418 L424 L429 F437 L442 L445 H447 L448 K449	L403-L427 HydrophobicContact CB-CD1 4.13Å; L403-L427 HydrophobicContact CD2-CD1 4.03Å; L403-L427 HydrophobicContact CG-CD1 4.09Å; L403-L427 WeakPolarHBondContact O-CA 3.32Å; F418-L427 HydrophobicContact CE2-CD2 4.32Å; L424-L427 HydrophobicContact CD2-CB 4.49Å; L427-L429 HydrophobicContact CD1-CD1 4.14Å; L427-L429 HydrophobicContact CD1-CG 4.15Å; L427-L429 HydrophobicContact CD2-CD1 3.9Å; L427-L429 HydrophobicContact CG-CD1 3.99Å; L427-L429 HydrophobicContact CG-CG 4.27Å; L427-F437 HydrophobicContact CD2-CE2 4.04Å; L427-F437 HydrophobicContact CD2-CZ 4.19Å; L427-L442 HydrophobicContact CD2-CD1 3.75Å; L427-L442 HydrophobicContact CD2-CD2 4.24Å; L427-L445 HydrophobicContact CB-CD1 3.91Å; L427-L445 HydrophobicContact CB-CD2 3.77Å; L427-L445 HydrophobicContact CD2-CD1 4.09Å; L427-H447 PolarHBondContact N-O 3.43Å; L427-L448 HydrophobicContact CB-CD1 4.27Å; L427-L448 HydrophobicContact CD2-CD1 4.13Å; L427-L448 HydrophobicContact CG-CD1 4.28Å; L427-L448 WeakPolarHBondContact O-CA 3.47Å; L427-K449 PolarHBondContact O-N 3.04Å
428	D	98.4	Very high	95.9	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.6	174.3	-166.8	-14.9	0	0	0	110.6	L403 N404 L405 A406 S430 K449	L403-D428 PolarHBondContact O-N 3.04Å; N404-D428 HydrophobicContact CB-CB 4.42Å; L405-D428 WeakPolarHBondContact CA-O 3.12Å; L405-D428 PolarHBondContact N-O 3.19Å; A406-D428 PolarHBondContact N-O 3.15Å; D428-S430 VanDerWaalsContact OD1-CB 3.27Å; D428-S430 WeakPolarHBondContact OD1-CB 3.15Å; D428-S430 PolarHBondContact OD1-N 3.25Å; D428-S430 PolarHBondContact OD1-OG 3.21Å; D428-K449 HydrophobicContact CB-CB 4.3Å; D428-K449 HydrophobicContact CB-CD 4.09Å; D428-K449 VanDerWaalsContact CG-CD 3.42Å; D428-K449 WeakPolarHBondContact OD1-CB 3.26Å; D428-K449 WeakPolarHBondContact OD2-CD 3.17Å
429	L	98.1	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.			trans	-126.2	21.5	178.3	-76.1	163.6	0	0	0	110.8	L405 I410 I413 L427 N432 L434 F437 K449 L450 N453	L405-L429 HydrophobicContact CB-CD2 3.78Å; L405-L429 HydrophobicContact CD1-CD2 3.95Å; I410-L429 HydrophobicContact CD1-CD2 4.17Å; I413-L429 HydrophobicContact CD1-CD1 3.93Å; I413-L429 HydrophobicContact CD1-CD2 3.99Å; L427-L429 HydrophobicContact CD1-CD1 4.14Å; L427-L429 HydrophobicContact CD1-CG 4.15Å; L427-L429 HydrophobicContact CD2-CD1 3.9Å; L427-L429 HydrophobicContact CG-CD1 3.99Å; L427-L429 HydrophobicContact CG-CG 4.27Å; L429-N432 PolarHBondContact O-ND2 3.12Å; L429-N432 VanDerWaalsContact O-ND2 3.11Å; L429-L434 HydrophobicContact CB-CD1 4.13Å; L429-L434 HydrophobicContact CD1-CD1 4.18Å; L429-L434 HydrophobicContact CD2-CD1 4.42Å; L429-L434 HydrophobicContact CG-CD1 4.5Å; L429-F437 HydrophobicContact CD1-CD2 4.27Å; L429-F437 HydrophobicContact CD1-CE2 3.86Å; L429-K449 PolarHBondContact N-O 3.16Å; L429-L450 HydrophobicContact CB-CD2 3.99Å; L429-L450 HydrophobicContact CD1-CD2 4.26Å; L429-N453 PolarHBondContact O-ND2 3.24Å
430	S	97.8	Very high	95.4	Very high	7 Å²	7	39 Å²	39	5%	0.049	23%	0.231	C	C	.	.			trans	-57.2	150.4	-178.6	-49.9	0	0	0	0	112.3	A406 W407 D428 N432 K449 T451	A406-S430 CarbonylContact C-O 3.45Å; A406-S430 WeakPolarHBondContact CA-O 3.26Å; W407-S430 PolarHBondContact N-O 2.96Å; D428-S430 VanDerWaalsContact OD1-CB 3.27Å; D428-S430 WeakPolarHBondContact OD1-CB 3.15Å; D428-S430 PolarHBondContact OD1-N 3.25Å; D428-S430 PolarHBondContact OD1-OG 3.21Å; S430-N432 PolarHBondContact O-N 2.91Å; S430-N432 PolarHBondContact O-ND2 3.25Å; S430-N432 VanDerWaalsContact O-ND2 3.09Å; S430-K449 WeakPolarHBondContact OG-CB 3.44Å; S430-T451 CarbonylContact C-O 3.1Å; S430-T451 VanDerWaalsContact CA-O 3.3Å; S430-T451 WeakPolarHBondContact CA-O 3.21Å; S430-T451 PolarHBondContact OG-OG1 2.58Å
431	S	97.8	Very high	94.8	Very high	31 Å²	31	38.8 Å²	38.8	22%	0.217	24%	0.235	C	C	.	.	S	Bend	trans	48.3	55.1	178	-59.8	0	0	0	0	113.4	W407 N408 T451	W407-S431 WeakPolarHBondContact CA-O 3.33Å; W407-S431 VanDerWaalsContact CE2-OG 3.3Å; W407-S431 VanDerWaalsContact CE3-CB 3.41Å; W407-S431 VanDerWaalsContact CH2-OG 3.32Å; W407-S431 WeakPolarHBondContact CH2-OG 3.47Å; W407-S431 WeakPolarHBondContact CZ2-OG 3.43Å; N408-S431 PolarHBondContact N-O 2.97Å; S431-T451 PolarHBondContact N-O 3.31Å
432	N	98.1	Very high	94.6	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	24%	0.235	C	C	.	.			trans	-119.6	-177.8	171.9	-85.3	-84.2	0	0	0	110.5	L405 N408 I410 L429 S430 L434 N453	L405-N432 PolarHBondContact O-ND2 3.08Å; N408-N432 WeakPolarHBondContact CA-OD1 3.19Å; N408-N432 WeakPolarHBondContact CB-OD1 3.3Å; N408-N432 PolarHBondContact O-OD1 3.03Å; I410-N432 HydrophobicContact CB-CB 4.41Å; I410-N432 VanDerWaalsContact CB-OD1 3.23Å; I410-N432 WeakPolarHBondContact CB-OD1 3.23Å; I410-N432 VanDerWaalsContact CG1-OD1 3.25Å; I410-N432 WeakPolarHBondContact CG1-OD1 3.03Å; I410-N432 PolarHBondContact N-OD1 3.46Å; L429-N432 PolarHBondContact O-ND2 3.12Å; L429-N432 VanDerWaalsContact O-ND2 3.11Å; S430-N432 PolarHBondContact O-N 2.91Å; S430-N432 PolarHBondContact O-ND2 3.25Å; S430-N432 VanDerWaalsContact O-ND2 3.09Å; N432-L434 HydrophobicContact CB-CG 4.21Å; N432-N453 WeakPolarHBondContact CA-OD1 3.15Å; N432-N453 WeakPolarHBondContact CB-OD1 3.35Å; N432-N453 PolarHBondContact O-OD1 3.01Å; N432-N453 VanDerWaalsContact O-OD1 3.11Å
433	L	96.8	Very high	94.4	Very high	109 Å²	109	40.6 Å²	40.6	57%	0.571	24%	0.236	S	C	*	.			trans	-104	25	-176.2	-57.5	179.4	0	0	0	112.5	K409 I410 A411 S435	K409-L433 HydrophobicContact CB-CD1 4.25Å; I410-L433 CarbonylContact O-C 3.14Å; I410-L433 VanDerWaalsContact O-C 3.28Å; I410-L433 WeakPolarHBondContact O-CA 3.41Å; I410-L433 PolarHBondContact O-N 3.11Å; A411-L433 HydrophobicContact CB-CB 4.27Å; L433-S435 PolarHBondContact O-N 3.12Å
434	L	96.6	Very high	94.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.233	C	C	.	.			trans	-68.1	131.8	-173.2	-59.7	173.7	0	0	0	111.9	I410 I413 L429 N432 L450 N453 A455 L456	I410-L434 HydrophobicContact CB-CD2 4.39Å; I410-L434 HydrophobicContact CG2-CD2 3.85Å; I410-L434 WeakPolarHBondContact O-CD2 3.18Å; I410-L434 PolarHBondContact O-N 2.61Å; I413-L434 HydrophobicContact CD1-CD1 4.1Å; I413-L434 HydrophobicContact CD1-CD2 3.75Å; I413-L434 HydrophobicContact CG1-CD2 3.84Å; L429-L434 HydrophobicContact CB-CD1 4.13Å; L429-L434 HydrophobicContact CD1-CD1 4.18Å; L429-L434 HydrophobicContact CD2-CD1 4.42Å; L429-L434 HydrophobicContact CG-CD1 4.5Å; N432-L434 HydrophobicContact CB-CG 4.21Å; L434-L450 HydrophobicContact CD1-CD2 4.35Å; L434-N453 HydrophobicContact CB-CB 4.31Å; L434-N453 VanDerWaalsContact CB-OD1 3.23Å; L434-N453 WeakPolarHBondContact CB-OD1 3.03Å; L434-N453 VanDerWaalsContact CG-OD1 3.29Å; L434-N453 WeakPolarHBondContact CG-OD1 3.04Å; L434-N453 PolarHBondContact N-OD1 2.95Å; L434-N453 VanDerWaalsContact N-OD1 3.12Å; L434-A455 CarbonylContact O-C 3.07Å; L434-A455 WeakPolarHBondContact O-CB 3.35Å; L434-L456 PolarHBondContact O-N 3.44Å; L434-L456 VanDerWaalsContact O-N 3.12Å
435	S	93.4	Very high	93.9	Very high	72 Å²	72	39.3 Å²	39.3	50%	0.503	23%	0.231	S	C	.	.	S	Bend	trans	-102.9	-17.5	171.3	55.6	0	0	0	0	113.3	L433	L433-S435 PolarHBondContact O-N 3.12Å
436	S	93.4	Very high	93.8	Very high	79 Å²	79	37.7 Å²	37.7	55%	0.552	23%	0.225	S	C	*	.			trans	-149.3	161.3	177.2	59.4	0	0	0	0	109.8
437	F	93.8	Very high	93.7	Very high	24 Å²	24	35.8 Å²	35.8	11%	0.105	22%	0.217	C	C	.	.			trans	-132.6	126.7	-174.6	176.4	-115.4	0	0	0	110.5	L427 L429 L442 L448 L450 L456 I460 F465	L427-F437 HydrophobicContact CD2-CE2 4.04Å; L427-F437 HydrophobicContact CD2-CZ 4.19Å; L429-F437 HydrophobicContact CD1-CD2 4.27Å; L429-F437 HydrophobicContact CD1-CE2 3.86Å; F437-L442 HydrophobicContact CE1-CD1 4.25Å; F437-L442 HydrophobicContact CE2-CD1 4.05Å; F437-L442 HydrophobicContact CZ-CD1 3.52Å; F437-L448 HydrophobicContact CE1-CD1 4.46Å; F437-L448 HydrophobicContact CE1-CD2 3.98Å; F437-L448 HydrophobicContact CE2-CD1 4.17Å; F437-L448 HydrophobicContact CZ-CD1 3.68Å; F437-L448 HydrophobicContact CZ-CD2 4.02Å; F437-L450 HydrophobicContact CD1-CD1 4.46Å; F437-L450 HydrophobicContact CD2-CD2 3.92Å; F437-L450 HydrophobicContact CE1-CD1 4.49Å; F437-L450 HydrophobicContact CE2-CD2 4.08Å; F437-L450 HydrophobicContact CG-CD1 4.47Å; F437-L456 HydrophobicContact CB-CD1 4Å; F437-L456 HydrophobicContact CB-CD2 4.33Å; F437-I460 HydrophobicContact CD1-CD1 3.74Å; F437-I460 HydrophobicContact CE1-CD1 4.31Å; F437-I460 HydrophobicContact CG-CD1 4.43Å; F437-F465 HydrophobicContact CE1-CE1 4.43Å; F437-F465 HydrophobicContact CE1-CE2 4.35Å; F437-F465 AromaticContact CE1-CZ 3.71Å; F437-F465 HydrophobicContact CE1-CZ 3.71Å; F437-F465 HydrophobicContact CZ-CZ 4.47Å
438	P	93.5	Very high	93.6	Very high	15 Å²	15	35.6 Å²	35.6	10%	0.097	22%	0.216	C	C	.	.			trans	-75.2	137	177	31.8	-35.7	0	0	0	111.1	I413 F418 L442	I413-P438 HydrophobicContact CB-CG 4.2Å; I413-P438 HydrophobicContact CG2-CG 3.75Å; F418-P438 HydrophobicContact CD2-CG 3.87Å; F418-P438 HydrophobicContact CE2-CG 3.89Å; P438-L442 WeakPolarHBondContact O-CD1 3.18Å
439	V	89.3	Confident	93.5	Very high	51 Å²	51	37 Å²	37	31%	0.309	22%	0.221	S	C	.	.			trans	-103.4	-26.2	-178.7	176.1	0	0	0	0	111.8	G441 L442 N464 F465	V439-G441 PolarHBondContact O-N 2.86Å; V439-G441 VanDerWaalsContact O-N 3.13Å; V439-L442 PolarHBondContact O-N 2.8Å; V439-L442 VanDerWaalsContact O-N 3.16Å; V439-N464 HydrophobicContact CG1-CB 3.53Å; V439-F465 HydrophobicContact CB-CZ 4.38Å; V439-F465 HydrophobicContact CG1-CE2 3.98Å; V439-F465 HydrophobicContact CG1-CZ 3.96Å; V439-F465 HydrophobicContact CG2-CE2 4.15Å; V439-F465 HydrophobicContact CG2-CZ 4.23Å
440	T	88.9	Confident	93.5	Very high	72 Å²	72	37 Å²	37	44%	0.442	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	108.6	-174.7	21.7	0	0	0	0	113	P415	P415-T440 PolarHBondContact O-OG1 2.83Å
441	G	82.4	Confident	93.3	Very high	25 Å²	25	38.4 Å²	38.4	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	109	-23.3	179.6	0	0	0	0	0	114.3	V439 H443	V439-G441 PolarHBondContact O-N 2.86Å; V439-G441 VanDerWaalsContact O-N 3.13Å; G441-H443 PolarHBondContact O-N 2.83Å; G441-H443 PolarHBondContact O-ND1 3.25Å; G441-H443 VanDerWaalsContact O-ND1 3.13Å
442	L	91.1	Very high	93	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-89.1	12	-164.8	-62.9	-176.5	0	0	0	116.3	F418 L424 L427 F437 P438 V439 G444 L445 F465	F418-L442 HydrophobicContact CB-CD2 3.64Å; F418-L442 HydrophobicContact CB-CG 4.11Å; F418-L442 HydrophobicContact CD2-CD1 3.9Å; F418-L442 HydrophobicContact CD2-CD2 4.08Å; F418-L442 HydrophobicContact CD2-CG 4.24Å; F418-L442 HydrophobicContact CG-CD2 4.04Å; L424-L442 HydrophobicContact CD2-CD2 3.71Å; L427-L442 HydrophobicContact CD2-CD1 3.75Å; L427-L442 HydrophobicContact CD2-CD2 4.24Å; F437-L442 HydrophobicContact CE1-CD1 4.25Å; F437-L442 HydrophobicContact CE2-CD1 4.05Å; F437-L442 HydrophobicContact CZ-CD1 3.52Å; P438-L442 WeakPolarHBondContact O-CD1 3.18Å; V439-L442 PolarHBondContact O-N 2.8Å; V439-L442 VanDerWaalsContact O-N 3.16Å; L442-G444 PolarHBondContact O-N 2.03Å; L442-G444 VanDerWaalsContact O-N 3.13Å; L442-L445 HydrophobicContact CB-CD1 3.9Å; L442-L445 HydrophobicContact CB-CG 4.23Å; L442-L445 HydrophobicContact CD1-CD1 4.15Å; L442-L445 HydrophobicContact CD2-CD1 4.24Å; L442-L445 HydrophobicContact CD2-CG 4.49Å; L442-L445 HydrophobicContact CG-CD1 4.35Å; L442-L445 WeakPolarHBondContact O-CG 3.19Å; L442-L445 PolarHBondContact O-N 3Å; L442-L445 VanDerWaalsContact O-N 3.15Å; L442-F465 HydrophobicContact CB-CE1 3.64Å; L442-F465 HydrophobicContact CB-CZ 4.3Å
443	H	89.4	Confident	92.9	Very high	119 Å²	119	37.9 Å²	37.9	55%	0.551	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-57	-26	-175.7	64.6	-67.3	0	0	0	115.9	G441	G441-H443 PolarHBondContact O-N 2.83Å; G441-H443 PolarHBondContact O-ND1 3.25Å; G441-H443 VanDerWaalsContact O-ND1 3.13Å
444	G	88.7	Confident	92.5	Very high	26 Å²	26	38.9 Å²	38.9	27%	0.268	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-88.9	6.3	179.1	0	0	0	0	0	115.7	L424 L442 T446	L424-G444 CarbonylContact O-C 3.02Å; L442-G444 PolarHBondContact O-N 2.03Å; L442-G444 VanDerWaalsContact O-N 3.13Å; G444-T446 PolarHBondContact O-N 2.95Å
445	L	94.1	Very high	92.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.252	C	S	.	.			trans	-65.4	132.8	178	-75	-179.7	0	0	0	111.6	L424 L427 L442 L448 F465 E467 L468	L424-L445 HydrophobicContact CD2-CD2 4.06Å; L424-L445 HydrophobicContact CG-CD2 3.93Å; L427-L445 HydrophobicContact CB-CD1 3.91Å; L427-L445 HydrophobicContact CB-CD2 3.77Å; L427-L445 HydrophobicContact CD2-CD1 4.09Å; L442-L445 HydrophobicContact CB-CD1 3.9Å; L442-L445 HydrophobicContact CB-CG 4.23Å; L442-L445 HydrophobicContact CD1-CD1 4.15Å; L442-L445 HydrophobicContact CD2-CD1 4.24Å; L442-L445 HydrophobicContact CD2-CG 4.49Å; L442-L445 HydrophobicContact CG-CD1 4.35Å; L442-L445 WeakPolarHBondContact O-CG 3.19Å; L442-L445 PolarHBondContact O-N 3Å; L442-L445 VanDerWaalsContact O-N 3.15Å; L445-L448 HydrophobicContact CD1-CB 4.43Å; L445-L448 HydrophobicContact CD1-CD1 4.16Å; L445-F465 HydrophobicContact CD1-CE1 4.26Å; L445-E467 CarbonylContact O-C 3.56Å; L445-L468 HydrophobicContact CB-CD2 3.95Å; L445-L468 WeakPolarHBondContact O-CD2 3.19Å; L445-L468 PolarHBondContact O-N 2.91Å
446	T	92.9	Very high	92.2	Very high	32 Å²	32	38 Å²	38	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-105.2	-23.6	169.4	67.4	0	0	0	0	112.7	I425 G444 E467 K469 I470	I425-T446 HydrophobicContact CG2-CG2 4.07Å; I425-T446 WeakPolarHBondContact CG2-OG1 3.46Å; I425-T446 PolarHBondContact O-N 3.37Å; I425-T446 PolarHBondContact O-OG1 2.87Å; I425-T446 VanDerWaalsContact O-OG1 3.1Å; G444-T446 PolarHBondContact O-N 2.95Å; T446-E467 WeakPolarHBondContact CA-O 3.15Å; T446-E467 HydrophobicContact CG2-CB 4.31Å; T446-K469 PolarHBondContact O-N 2.88Å; T446-I470 PolarHBondContact O-N 2.7Å
447	H	94.8	Very high	92	Very high	48 Å²	48	37.2 Å²	37.2	22%	0.222	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.3	175.7	-60.2	49.7	0	0	0	109.7	I425 K426 L427 I470	I425-H447 PolarHBondContact O-N 2.95Å; K426-H447 WeakPolarHBondContact CA-O 3.3Å; K426-H447 HydrophobicContact CB-CB 4.06Å; K426-H447 HydrophobicContact CD-CB 4.2Å; K426-H447 WeakPolarHBondContact CE-NE2 3.32Å; K426-H447 HydrophobicContact CG-CB 3.9Å; K426-H447 PolarHBondContact NZ-CE1 2.67Å; K426-H447 PolarHBondContact NZ-NE2 3.23Å; L427-H447 PolarHBondContact N-O 3.43Å; H447-I470 VanDerWaalsContact CA-O 3.31Å; H447-I470 WeakPolarHBondContact CA-O 3.47Å
448	L	95.9	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.2	175.3	175	60.6	0	0	0	110.6	L427 F437 L445 L450 L468 I470 I471 E472	L427-L448 HydrophobicContact CB-CD1 4.27Å; L427-L448 HydrophobicContact CD2-CD1 4.13Å; L427-L448 HydrophobicContact CG-CD1 4.28Å; L427-L448 WeakPolarHBondContact O-CA 3.47Å; F437-L448 HydrophobicContact CE1-CD1 4.46Å; F437-L448 HydrophobicContact CE1-CD2 3.98Å; F437-L448 HydrophobicContact CE2-CD1 4.17Å; F437-L448 HydrophobicContact CZ-CD1 3.68Å; F437-L448 HydrophobicContact CZ-CD2 4.02Å; L445-L448 HydrophobicContact CD1-CB 4.43Å; L445-L448 HydrophobicContact CD1-CD1 4.16Å; L448-L450 HydrophobicContact CD1-CD1 4.1Å; L448-L450 HydrophobicContact CD1-CD2 4.46Å; L448-L450 HydrophobicContact CD1-CG 4.01Å; L448-L450 HydrophobicContact CD2-CD1 3.91Å; L448-L450 HydrophobicContact CG-CD1 3.96Å; L448-L450 HydrophobicContact CG-CG 4.17Å; L448-L468 HydrophobicContact CB-CD1 4.28Å; L448-L468 HydrophobicContact CB-CD2 3.66Å; L448-L468 HydrophobicContact CD2-CD1 4.17Å; L448-I470 PolarHBondContact N-O 3.32Å; L448-I471 CarbonylContact O-C 3.48Å; L448-I471 WeakPolarHBondContact O-CA 3.47Å; L448-E472 PolarHBondContact O-N 2.87Å
449	K	97	Very high	91.4	Very high	60 Å²	60	41.5 Å²	41.5	26%	0.261	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.7	176.7	-58.6	170.5	154.5	-104.4	0	111.5	L427 D428 L429 S430 E472	L427-K449 PolarHBondContact O-N 3.04Å; D428-K449 HydrophobicContact CB-CB 4.3Å; D428-K449 HydrophobicContact CB-CD 4.09Å; D428-K449 VanDerWaalsContact CG-CD 3.42Å; D428-K449 WeakPolarHBondContact OD1-CB 3.26Å; D428-K449 WeakPolarHBondContact OD2-CD 3.17Å; L429-K449 PolarHBondContact N-O 3.16Å; S430-K449 WeakPolarHBondContact OG-CB 3.44Å; K449-E472 HydrophobicContact CB-CB 4.18Å; K449-E472 VanDerWaalsContact CE-OE1 3.29Å; K449-E472 WeakPolarHBondContact CE-OE1 3.4Å; K449-E472 HydrophobicContact CG-CB 4.03Å; K449-E472 HydrophobicContact CG-CG 3.93Å; K449-E472 IonicContact NZ-OE1 2.59Å; K449-E472 PolarHBondContact NZ-OE1 3.25Å; K449-E472 IonicContact NZ-OE2 2.91Å; K449-E472 PolarHBondContact NZ-OE2 3.22Å
450	L	96.9	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.			trans	-140.2	7.3	-173.4	-69.3	168.2	0	0	0	112	L429 L434 F437 L448 N453 L456 I460 E472 M473 P474	L429-L450 HydrophobicContact CB-CD2 3.99Å; L429-L450 HydrophobicContact CD1-CD2 4.26Å; L434-L450 HydrophobicContact CD1-CD2 4.35Å; F437-L450 HydrophobicContact CD1-CD1 4.46Å; F437-L450 HydrophobicContact CD2-CD2 3.92Å; F437-L450 HydrophobicContact CE1-CD1 4.49Å; F437-L450 HydrophobicContact CE2-CD2 4.08Å; F437-L450 HydrophobicContact CG-CD1 4.47Å; L448-L450 HydrophobicContact CD1-CD1 4.1Å; L448-L450 HydrophobicContact CD1-CD2 4.46Å; L448-L450 HydrophobicContact CD1-CG 4.01Å; L448-L450 HydrophobicContact CD2-CD1 3.91Å; L448-L450 HydrophobicContact CG-CD1 3.96Å; L448-L450 HydrophobicContact CG-CG 4.17Å; L450-N453 WeakPolarHBondContact O-CB 3.45Å; L450-N453 PolarHBondContact O-N 3.11Å; L450-N453 PolarHBondContact O-ND2 2.92Å; L450-L456 HydrophobicContact CB-CD2 4.28Å; L450-L456 HydrophobicContact CD1-CD2 4.04Å; L450-L456 HydrophobicContact CD2-CD2 4.04Å; L450-L456 HydrophobicContact CG-CD2 4.36Å; L450-I460 HydrophobicContact CD1-CD1 3.72Å; L450-E472 WeakPolarHBondContact CA-O 3.2Å; L450-E472 PolarHBondContact N-O 3.39Å; L450-M473 HydrophobicContact CD1-SD 4.13Å; L450-P474 WeakPolarHBondContact O-CD 3.49Å
451	T	94.2	Very high	91.2	Very high	36 Å²	36	38.3 Å²	38.3	22%	0.221	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	149.6	176.6	33.3	0	0	0	0	112.2	S430 S431 N453 E472 M473	S430-T451 CarbonylContact C-O 3.1Å; S430-T451 VanDerWaalsContact CA-O 3.3Å; S430-T451 WeakPolarHBondContact CA-O 3.21Å; S430-T451 PolarHBondContact OG-OG1 2.58Å; S431-T451 PolarHBondContact N-O 3.31Å; T451-N453 PolarHBondContact O-N 3.3Å; T451-N453 VanDerWaalsContact O-N 3.12Å; T451-N453 PolarHBondContact O-ND2 3.42Å; T451-E472 HydrophobicContact CG2-CB 3.78Å; T451-E472 PolarHBondContact N-O 3.42Å; T451-M473 WeakPolarHBondContact CG2-O 3.39Å
452	G	92.5	Very high	91.3	Very high	24 Å²	24	39.4 Å²	39.4	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-8.1	-179.6	0	0	0	0	0	116.7	H454	G452-H454 VanDerWaalsContact C-N 3.29Å; G452-H454 PolarHBondContact O-CD2 3.04Å; G452-H454 PolarHBondContact O-N 3.04Å; G452-H454 PolarHBondContact O-NE2 2.96Å
453	N	94.9	Very high	91	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.			trans	-78.3	75.2	173.7	-69.7	-86.7	0	0	0	111.1	L429 N432 L434 L450 T451 A455 L456	L429-N453 PolarHBondContact O-ND2 3.24Å; N432-N453 WeakPolarHBondContact CA-OD1 3.15Å; N432-N453 WeakPolarHBondContact CB-OD1 3.35Å; N432-N453 PolarHBondContact O-OD1 3.01Å; N432-N453 VanDerWaalsContact O-OD1 3.11Å; L434-N453 HydrophobicContact CB-CB 4.31Å; L434-N453 VanDerWaalsContact CB-OD1 3.23Å; L434-N453 WeakPolarHBondContact CB-OD1 3.03Å; L434-N453 VanDerWaalsContact CG-OD1 3.29Å; L434-N453 WeakPolarHBondContact CG-OD1 3.04Å; L434-N453 PolarHBondContact N-OD1 2.95Å; L434-N453 VanDerWaalsContact N-OD1 3.12Å; L450-N453 WeakPolarHBondContact O-CB 3.45Å; L450-N453 PolarHBondContact O-N 3.11Å; L450-N453 PolarHBondContact O-ND2 2.92Å; T451-N453 PolarHBondContact O-N 3.3Å; T451-N453 VanDerWaalsContact O-N 3.12Å; T451-N453 PolarHBondContact O-ND2 3.42Å; N453-A455 PolarHBondContact O-N 3.38Å; N453-A455 VanDerWaalsContact O-N 3.14Å; N453-L456 HydrophobicContact CB-CB 3.95Å; N453-L456 HydrophobicContact CB-CD2 4.44Å; N453-L456 WeakPolarHBondContact O-CB 3.27Å; N453-L456 PolarHBondContact O-N 3.31Å
454	H	89.2	Confident	90.9	Very high	129 Å²	129	45.1 Å²	45.1	60%	0.597	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.8	-172.2	-58.5	-69.9	0	0	0	115.3	G452 Y475	G452-H454 VanDerWaalsContact C-N 3.29Å; G452-H454 PolarHBondContact O-CD2 3.04Å; G452-H454 PolarHBondContact O-N 3.04Å; G452-H454 PolarHBondContact O-NE2 2.96Å; H454-Y475 PolarHBondContact O-OH 2.74Å
455	A	91.1	Very high	90.9	Very high	54 Å²	54	44 Å²	44	45%	0.446	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.1	173.9	0	0	0	0	0	113.1	L434 N453 Q457	L434-A455 CarbonylContact O-C 3.07Å; L434-A455 WeakPolarHBondContact O-CB 3.35Å; N453-A455 PolarHBondContact O-N 3.38Å; N453-A455 VanDerWaalsContact O-N 3.14Å; A455-Q457 VanDerWaalsContact C-N 3.29Å; A455-Q457 PolarHBondContact O-N 3.35Å
456	L	92.6	Very high	90.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.			trans	-82.1	71.8	-178.1	-171	65.4	0	0	0	110.9	L434 F437 L450 N453 P474 Q478	L434-L456 PolarHBondContact O-N 3.44Å; L434-L456 VanDerWaalsContact O-N 3.12Å; F437-L456 HydrophobicContact CB-CD1 4Å; F437-L456 HydrophobicContact CB-CD2 4.33Å; L450-L456 HydrophobicContact CB-CD2 4.28Å; L450-L456 HydrophobicContact CD1-CD2 4.04Å; L450-L456 HydrophobicContact CD2-CD2 4.04Å; L450-L456 HydrophobicContact CG-CD2 4.36Å; N453-L456 HydrophobicContact CB-CB 3.95Å; N453-L456 HydrophobicContact CB-CD2 4.44Å; N453-L456 WeakPolarHBondContact O-CB 3.27Å; N453-L456 PolarHBondContact O-N 3.31Å; L456-P474 HydrophobicContact CB-CG 4.34Å; L456-Q478 PolarHBondContact O-NE2 3.21Å
457	Q	88.8	Confident	90.4	Very high	63 Å²	63	52.2 Å²	52.2	29%	0.294	29%	0.29	S	S	.	.			trans	-86.7	-10.3	-176.7	-68.3	179.2	7.2	0	0	114	A455 A629	A455-Q457 VanDerWaalsContact C-N 3.29Å; A455-Q457 PolarHBondContact O-N 3.35Å; Q457-A629 HydrophobicContact CB-CB 3.91Å; Q457-A629 HydrophobicContact CG-CB 4.32Å
458	S	87.4	Confident	90.1	Very high	58 Å²	58	50.2 Å²	50.2	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-69	140.9	-179.8	52.8	0	0	0	0	112.7	Q478	S458-Q478 PolarHBondContact O-NE2 3.21Å
459	L	86.5	Confident	89.7	Confident	72 Å²	72	53.8 Å²	53.8	38%	0.377	30%	0.296	S	S	.	.			trans	-67.8	141.2	164.8	-71.7	-179.2	0	0	0	110.9	Q478 R626	L459-Q478 HydrophobicContact CD2-CG 4.13Å; L459-R626 HydrophobicContact CD1-CB 3.77Å; L459-R626 HydrophobicContact CD1-CG 4.1Å
460	I	88.5	Confident	89.4	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.056	30%	0.298	C	S	.	.			trans	-105.7	125.5	171.6	-63.1	173.4	0	0	0	107.1	F437 L450 F465 M473 A481 F482	F437-I460 HydrophobicContact CD1-CD1 3.74Å; F437-I460 HydrophobicContact CE1-CD1 4.31Å; F437-I460 HydrophobicContact CG-CD1 4.43Å; L450-I460 HydrophobicContact CD1-CD1 3.72Å; I460-F465 HydrophobicContact CG2-CD2 3.75Å; I460-F465 HydrophobicContact CG2-CE2 3.51Å; I460-M473 HydrophobicContact CB-CE 4.31Å; I460-M473 HydrophobicContact CD1-CE 4.01Å; I460-M473 HydrophobicContact CD1-SD 4.34Å; I460-A481 WeakPolarHBondContact O-CB 3.18Å; I460-F482 HydrophobicContact CG2-CZ 4.21Å
461	S	85.5	Confident	89.2	Confident	44 Å²	44	53.6 Å²	53.6	31%	0.308	30%	0.298	S	S	.	.			trans	-76.1	136	177.7	-177.3	0	0	0	0	111	E463 N464	S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact O-N 3.02Å; S461-E463 PolarHBondContact OG-N 3.2Å; S461-E463 PolarHBondContact OG-OE2 3.01Å; S461-E463 VanDerWaalsContact OG-OE2 3.09Å; S461-N464 PolarHBondContact O-N 2.92Å; S461-N464 PolarHBondContact O-ND2 3.44Å
462	S	84.8	Confident	89.2	Confident	48 Å²	48	54 Å²	54	34%	0.336	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.8	-24.9	174.3	39.5	0	0	0	0	113.3	N464 F465 A481	S462-N464 PolarHBondContact O-N 2.96Å; S462-N464 VanDerWaalsContact O-N 3.14Å; S462-F465 CarbonylContact O-C 3.52Å; S462-F465 PolarHBondContact O-N 2.98Å; S462-A481 WeakPolarHBondContact CB-O 3.21Å; S462-A481 PolarHBondContact OG-O 2.9Å
463	E	85.6	Confident	89.2	Confident	170 Å²	170	52.9 Å²	52.9	79%	0.794	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.2	174.9	-62.1	170	134.8	0	0	113.1	S461 F465	S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact O-N 3.02Å; S461-E463 PolarHBondContact OG-N 3.2Å; S461-E463 PolarHBondContact OG-OE2 3.01Å; S461-E463 VanDerWaalsContact OG-OE2 3.09Å; E463-F465 VanDerWaalsContact C-N 3.33Å
464	N	86.9	Confident	89.1	Confident	72 Å²	72	53.8 Å²	53.8	39%	0.385	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-81.4	-12.7	178.7	-62.1	-59	0	0	0	113.5	V439 S461 S462	V439-N464 HydrophobicContact CG1-CB 3.53Å; S461-N464 PolarHBondContact O-N 2.92Å; S461-N464 PolarHBondContact O-ND2 3.44Å; S462-N464 PolarHBondContact O-N 2.96Å; S462-N464 VanDerWaalsContact O-N 3.14Å
465	F	89.6	Confident	89.1	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.018	27%	0.266	C	S	.	.			trans	-141.6	61.4	-166.6	-65.1	-77.1	0	0	0	111.7	F437 V439 L442 L445 I460 S462 E463 E467 L468 F482	F437-F465 HydrophobicContact CE1-CE1 4.43Å; F437-F465 HydrophobicContact CE1-CE2 4.35Å; F437-F465 AromaticContact CE1-CZ 3.71Å; F437-F465 HydrophobicContact CE1-CZ 3.71Å; F437-F465 HydrophobicContact CZ-CZ 4.47Å; V439-F465 HydrophobicContact CB-CZ 4.38Å; V439-F465 HydrophobicContact CG1-CE2 3.98Å; V439-F465 HydrophobicContact CG1-CZ 3.96Å; V439-F465 HydrophobicContact CG2-CE2 4.15Å; V439-F465 HydrophobicContact CG2-CZ 4.23Å; L442-F465 HydrophobicContact CB-CE1 3.64Å; L442-F465 HydrophobicContact CB-CZ 4.3Å; L445-F465 HydrophobicContact CD1-CE1 4.26Å; I460-F465 HydrophobicContact CG2-CD2 3.75Å; I460-F465 HydrophobicContact CG2-CE2 3.51Å; S462-F465 CarbonylContact O-C 3.52Å; S462-F465 PolarHBondContact O-N 2.98Å; E463-F465 VanDerWaalsContact C-N 3.33Å; F465-E467 VanDerWaalsContact C-N 3.29Å; F465-E467 PolarHBondContact O-N 3.48Å; F465-L468 HydrophobicContact CB-CD1 3.49Å; F465-L468 VanDerWaalsContact CB-CD1 3.49Å; F465-L468 HydrophobicContact CB-CG 3.86Å; F465-L468 HydrophobicContact CD1-CD1 4.16Å; F465-L468 HydrophobicContact CG-CD1 3.87Å; F465-L468 HydrophobicContact CG-CG 4.5Å; F465-L468 PolarHBondContact O-N 2.8Å; F465-F482 HydrophobicContact CB-CE1 4.46Å
466	P	86.1	Confident	88.9	Confident	93 Å²	93	46 Å²	46	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.3	-173.4	25.8	-34.9	0	0	0	114
467	E	88.9	Confident	88.7	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.9	-174.2	-59	-57	140.8	0	0	114.4	L445 T446 F465 K469	L445-E467 CarbonylContact O-C 3.56Å; T446-E467 WeakPolarHBondContact CA-O 3.15Å; T446-E467 HydrophobicContact CG2-CB 4.31Å; F465-E467 VanDerWaalsContact C-N 3.29Å; F465-E467 PolarHBondContact O-N 3.48Å; E467-K469 PolarHBondContact O-N 3.45Å
468	L	89.3	Confident	88.7	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.233	C	C	.	.			trans	-66.4	118.8	-176.6	-83.5	178.8	0	0	0	112.1	L445 L448 F465 I471 F482 V539	L445-L468 HydrophobicContact CB-CD2 3.95Å; L445-L468 WeakPolarHBondContact O-CD2 3.19Å; L445-L468 PolarHBondContact O-N 2.91Å; L448-L468 HydrophobicContact CB-CD1 4.28Å; L448-L468 HydrophobicContact CB-CD2 3.66Å; L448-L468 HydrophobicContact CD2-CD1 4.17Å; F465-L468 HydrophobicContact CB-CD1 3.49Å; F465-L468 VanDerWaalsContact CB-CD1 3.49Å; F465-L468 HydrophobicContact CB-CG 3.86Å; F465-L468 HydrophobicContact CD1-CD1 4.16Å; F465-L468 HydrophobicContact CG-CD1 3.87Å; F465-L468 HydrophobicContact CG-CG 4.5Å; F465-L468 PolarHBondContact O-N 2.8Å; L468-I471 HydrophobicContact CB-CD1 3.98Å; L468-I471 HydrophobicContact CB-CG1 4.11Å; L468-I471 HydrophobicContact CD1-CD1 3.83Å; L468-I471 HydrophobicContact CD1-CG1 4.09Å; L468-I471 HydrophobicContact CD2-CG1 4.48Å; L468-I471 HydrophobicContact CG-CD1 4.47Å; L468-I471 HydrophobicContact CG-CG1 4.47Å; L468-F482 HydrophobicContact CD1-CE1 3.93Å; L468-F482 HydrophobicContact CD1-CZ 4.38Å; L468-V539 WeakPolarHBondContact O-CG2 3.37Å
469	K	88	Confident	88.8	Confident	75 Å²	75	40.6 Å²	40.6	33%	0.326	21%	0.214	S	C	.	.			trans	-104.8	-37.7	174.8	-63.5	-159.8	171.7	-158.6	0	112.8	T446 E467 H537 Q540	T446-K469 PolarHBondContact O-N 2.88Å; E467-K469 PolarHBondContact O-N 3.45Å; K469-H537 PolarHBondContact NZ-CD2 2.96Å; K469-H537 PolarHBondContact NZ-NE2 2.96Å; K469-H537 VanDerWaalsContact NZ-NE2 3.12Å; K469-Q540 PolarHBondContact O-N 3.32Å
470	I	90.8	Very high	88.8	Confident	55 Å²	55	38.1 Å²	38.1	28%	0.282	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.4	179.7	-60.2	-178.2	0	0	0	109.9	T446 H447 L448 Q540	T446-I470 PolarHBondContact O-N 2.7Å; H447-I470 VanDerWaalsContact CA-O 3.31Å; H447-I470 WeakPolarHBondContact CA-O 3.47Å; L448-I470 PolarHBondContact N-O 3.32Å; I470-Q540 WeakPolarHBondContact CA-O 3.47Å
471	I	92.6	Very high	88.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.5	-176	-49.7	-177.3	0	0	0	109.6	L448 L468 M473 F482 V539 Q540 C541 S542	L448-I471 CarbonylContact O-C 3.48Å; L448-I471 WeakPolarHBondContact O-CA 3.47Å; L468-I471 HydrophobicContact CB-CD1 3.98Å; L468-I471 HydrophobicContact CB-CG1 4.11Å; L468-I471 HydrophobicContact CD1-CD1 3.83Å; L468-I471 HydrophobicContact CD1-CG1 4.09Å; L468-I471 HydrophobicContact CD2-CG1 4.48Å; L468-I471 HydrophobicContact CG-CD1 4.47Å; L468-I471 HydrophobicContact CG-CG1 4.47Å; I471-M473 HydrophobicContact CG2-CE 3.67Å; I471-M473 HydrophobicContact CG2-CG 3.82Å; I471-M473 HydrophobicContact CG2-SD 4.25Å; I471-F482 HydrophobicContact CD1-CB 4.18Å; I471-F482 HydrophobicContact CD1-CD1 3.41Å; I471-F482 VanDerWaalsContact CD1-CD1 3.41Å; I471-F482 HydrophobicContact CD1-CD2 4.01Å; I471-F482 HydrophobicContact CD1-CE1 3.71Å; I471-F482 HydrophobicContact CD1-CE2 4.29Å; I471-F482 HydrophobicContact CD1-CG 3.58Å; I471-F482 HydrophobicContact CD1-CZ 4.15Å; I471-V539 HydrophobicContact CD1-CG1 3.52Å; I471-V539 HydrophobicContact CG1-CG1 3.92Å; I471-Q540 PolarHBondContact N-O 2.84Å; I471-C541 HydrophobicContact CB-CB 4.05Å; I471-C541 CarbonylContact O-C 2.95Å; I471-C541 VanDerWaalsContact O-CA 3.28Å; I471-C541 WeakPolarHBondContact O-CA 3.34Å; I471-S542 PolarHBondContact O-N 3.24Å
472	E	93.8	Very high	88.5	Confident	45 Å²	45	38 Å²	38	21%	0.21	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	104.3	168.3	-55.3	-173.6	-178.5	0	0	108.5	L448 K449 L450 T451 S542	L448-E472 PolarHBondContact O-N 2.87Å; K449-E472 HydrophobicContact CB-CB 4.18Å; K449-E472 VanDerWaalsContact CE-OE1 3.29Å; K449-E472 WeakPolarHBondContact CE-OE1 3.4Å; K449-E472 HydrophobicContact CG-CB 4.03Å; K449-E472 HydrophobicContact CG-CG 3.93Å; K449-E472 IonicContact NZ-OE1 2.59Å; K449-E472 PolarHBondContact NZ-OE1 3.25Å; K449-E472 IonicContact NZ-OE2 2.91Å; K449-E472 PolarHBondContact NZ-OE2 3.22Å; L450-E472 WeakPolarHBondContact CA-O 3.2Å; L450-E472 PolarHBondContact N-O 3.39Å; T451-E472 HydrophobicContact CG2-CB 3.78Å; T451-E472 PolarHBondContact N-O 3.42Å; E472-S542 CarbonylContact C-O 3.5Å; E472-S542 WeakPolarHBondContact CA-O 3.45Å; E472-S542 WeakPolarHBondContact CG-OG 3.45Å
473	M	92.9	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-92.5	153.6	179.5	-72.6	-63.9	-177.9	0	0	110.8	L450 T451 I460 I471 Y475 Q478 F482 S542 P543	L450-M473 HydrophobicContact CD1-SD 4.13Å; T451-M473 WeakPolarHBondContact CG2-O 3.39Å; I460-M473 HydrophobicContact CB-CE 4.31Å; I460-M473 HydrophobicContact CD1-CE 4.01Å; I460-M473 HydrophobicContact CD1-SD 4.34Å; I471-M473 HydrophobicContact CG2-CE 3.67Å; I471-M473 HydrophobicContact CG2-CG 3.82Å; I471-M473 HydrophobicContact CG2-SD 4.25Å; M473-Y475 PolarHBondContact O-N 3.3Å; M473-Q478 HydrophobicContact CB-CB 3.91Å; M473-Q478 HydrophobicContact CG-CB 3.66Å; M473-Q478 HydrophobicContact SD-CB 3.98Å; M473-F482 HydrophobicContact CE-CE2 3.69Å; M473-F482 HydrophobicContact CE-CZ 4.18Å; M473-S542 PolarHBondContact N-O 3.24Å; M473-P543 WeakPolarHBondContact O-CD 3.19Å
474	P	91.9	Very high	86.9	Confident	19 Å²	19	31.1 Å²	31.1	12%	0.123	18%	0.179	C	C	.	.	S	Bend	trans	-63.1	-21.4	172.1	23.5	-27	0	0	0	112.4	L450 L456	L450-P474 WeakPolarHBondContact O-CD 3.49Å; L456-P474 HydrophobicContact CB-CG 4.34Å
475	Y	89.2	Confident	85.3	Confident	16 Å²	16	29.8 Å²	29.8	6%	0.063	18%	0.175	C	C	.	.	S	Bend	trans	-147.7	151.8	178.7	-54.4	-97.6	0	0	0	114.6	H454 M473 Y477 Q478 N633	H454-Y475 PolarHBondContact O-OH 2.74Å; M473-Y475 PolarHBondContact O-N 3.3Å; Y475-Y477 VanDerWaalsContact C-N 3.35Å; Y475-Y477 WeakPolarHBondContact CB-OH 3.45Å; Y475-Y477 AromaticContact CD1-CE1 3.73Å; Y475-Y477 HydrophobicContact CD1-CE1 3.73Å; Y475-Y477 AromaticContact CD1-CZ 3.93Å; Y475-Y477 WeakPolarHBondContact CD1-OH 3.49Å; Y475-Y477 HydrophobicContact CD2-CE1 4.32Å; Y475-Y477 HydrophobicContact CD2-CE2 4.48Å; Y475-Y477 AromaticContact CD2-CZ 3.68Å; Y475-Y477 WeakPolarHBondContact CD2-OH 3.45Å; Y475-Y477 WeakPolarHBondContact CE2-OH 3.29Å; Y475-Y477 AromaticContact CG-CE1 3.53Å; Y475-Y477 HydrophobicContact CG-CE1 3.53Å; Y475-Y477 HydrophobicContact CG-CE2 4.34Å; Y475-Y477 AromaticContact CG-CZ 3.35Å; Y475-Y477 PolarHBondContact O-N 2.87Å; Y475-Q478 PolarHBondContact O-N 2.8Å; Y475-N633 VanDerWaalsContact CE1-ND2 3.3Å; Y475-N633 WeakPolarHBondContact CE1-ND2 3.34Å; Y475-N633 PolarHBondContact OH-ND2 2.9Å; Y475-N633 PolarHBondContact OH-OD1 3.38Å
476	A	87.5	Confident	83.3	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-31.7	-173.5	0	0	0	0	0	114.7	Q478 C479 P543 K549	A476-Q478 PolarHBondContact O-N 2.87Å; A476-C479 VanDerWaalsContact O-CB 3.32Å; A476-C479 WeakPolarHBondContact O-CB 3.42Å; A476-C479 PolarHBondContact O-N 2.98Å; A476-C479 VanDerWaalsContact O-N 3.1Å; A476-P543 VanDerWaalsContact CA-O 3.27Å; A476-P543 WeakPolarHBondContact CA-O 3.46Å; A476-P543 HydrophobicContact CB-CB 4.49Å; A476-P543 HydrophobicContact CB-CG 4.11Å; A476-P543 WeakPolarHBondContact CB-O 3.36Å; A476-K549 HydrophobicContact CB-CB 4.25Å; A476-K549 HydrophobicContact CB-CD 4.39Å
477	Y	87.3	Confident	81.4	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-20.1	-180	53.5	-103	0	0	0	113.1	Y475 C480 A625 A629	Y475-Y477 VanDerWaalsContact C-N 3.35Å; Y475-Y477 WeakPolarHBondContact CB-OH 3.45Å; Y475-Y477 AromaticContact CD1-CE1 3.73Å; Y475-Y477 HydrophobicContact CD1-CE1 3.73Å; Y475-Y477 AromaticContact CD1-CZ 3.93Å; Y475-Y477 WeakPolarHBondContact CD1-OH 3.49Å; Y475-Y477 HydrophobicContact CD2-CE1 4.32Å; Y475-Y477 HydrophobicContact CD2-CE2 4.48Å; Y475-Y477 AromaticContact CD2-CZ 3.68Å; Y475-Y477 WeakPolarHBondContact CD2-OH 3.45Å; Y475-Y477 WeakPolarHBondContact CE2-OH 3.29Å; Y475-Y477 AromaticContact CG-CE1 3.53Å; Y475-Y477 HydrophobicContact CG-CE1 3.53Å; Y475-Y477 HydrophobicContact CG-CE2 4.34Å; Y475-Y477 AromaticContact CG-CZ 3.35Å; Y475-Y477 PolarHBondContact O-N 2.87Å; Y477-C480 VanDerWaalsContact O-CB 3.26Å; Y477-C480 WeakPolarHBondContact O-CB 2.88Å; Y477-C480 PolarHBondContact O-N 3.26Å; Y477-C480 PolarHBondContact O-SG 3.38Å; Y477-C480 VanDerWaalsContact O-SG 3.39Å; Y477-A625 WeakPolarHBondContact CD2-O 3.27Å; Y477-A629 HydrophobicContact CD2-CB 4.16Å; Y477-A629 HydrophobicContact CE1-CB 3.94Å; Y477-A629 HydrophobicContact CE2-CB 3.32Å; Y477-A629 WeakPolarHBondContact OH-CA 3.49Å; Y477-A629 WeakPolarHBondContact OH-CB 3.48Å
478	Q	89.9	Confident	79.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73	-32.7	172.4	-75.7	155.3	-41.1	0	0	111.6	L456 S458 L459 M473 Y475 A476 C480 A481	L456-Q478 PolarHBondContact O-NE2 3.21Å; S458-Q478 PolarHBondContact O-NE2 3.21Å; L459-Q478 HydrophobicContact CD2-CG 4.13Å; M473-Q478 HydrophobicContact CB-CB 3.91Å; M473-Q478 HydrophobicContact CG-CB 3.66Å; M473-Q478 HydrophobicContact SD-CB 3.98Å; Y475-Q478 PolarHBondContact O-N 2.8Å; A476-Q478 PolarHBondContact O-N 2.87Å; Q478-C480 PolarHBondContact O-N 2.99Å; Q478-A481 PolarHBondContact O-N 3.45Å
479	C	90.1	Very high	76.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-23.3	173.4	-65.5	0	0	0	0	113.3	A476 A481 F482 C541 P543 P545	A476-C479 VanDerWaalsContact O-CB 3.32Å; A476-C479 WeakPolarHBondContact O-CB 3.42Å; A476-C479 PolarHBondContact O-N 2.98Å; A476-C479 VanDerWaalsContact O-N 3.1Å; C479-A481 PolarHBondContact O-N 2.95Å; C479-F482 PolarHBondContact O-N 3.18Å; C479-F482 VanDerWaalsContact O-N 3.15Å; C479-C541 WeakPolarHBondContact CA-SG 3.35Å; C479-C541 HydrophobicContact CB-CB 3.53Å; C479-C541 WeakPolarHBondContact CB-SG 2.86Å; C479-C541 WeakPolarHBondContact SG-CB 3.17Å; C479-C541 CovalentContact SG-SG 2.03Å; C479-C541 PolarHBondContact SG-SG 3.43Å; C479-P543 PolarHBondContact SG-O 3.19Å; C479-P543 VanDerWaalsContact SG-O 3.37Å; C479-P545 HydrophobicContact CB-CG 3.94Å
480	C	86.6	Confident	74.2	Confident	20 Å²	20	40.9 Å²	40.9	14%	0.135	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.2	174.7	-58.7	0	0	0	0	112.8	Y477 Q478 F482 G483 C551 A625	Y477-C480 VanDerWaalsContact O-CB 3.26Å; Y477-C480 WeakPolarHBondContact O-CB 2.88Å; Y477-C480 PolarHBondContact O-N 3.26Å; Y477-C480 PolarHBondContact O-SG 3.38Å; Y477-C480 VanDerWaalsContact O-SG 3.39Å; Q478-C480 PolarHBondContact O-N 2.99Å; C480-F482 PolarHBondContact O-N 3.44Å; C480-G483 PolarHBondContact O-N 2.98Å; C480-C551 HydrophobicContact CB-CB 3.66Å; C480-C551 WeakPolarHBondContact CB-SG 3.47Å; C480-C551 VanDerWaalsContact SG-CA 3.59Å; C480-C551 WeakPolarHBondContact SG-CB 3.32Å; C480-C551 CovalentContact SG-SG 2.03Å; C480-C551 PolarHBondContact SG-SG 3.17Å; C480-A625 HydrophobicContact CB-CB 3.78Å
481	A	84	Confident	71.8	Confident	31 Å²	31	43.1 Å²	43.1	26%	0.256	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-69.6	-10.2	-178.9	0	0	0	0	0	114	I460 S462 Q478 C479	I460-A481 WeakPolarHBondContact O-CB 3.18Å; S462-A481 WeakPolarHBondContact CB-O 3.21Å; S462-A481 PolarHBondContact OG-O 2.9Å; Q478-A481 PolarHBondContact O-N 3.45Å; C479-A481 PolarHBondContact O-N 2.95Å
482	F	83.5	Confident	69	Low	20 Å²	20	46 Å²	46	9%	0.088	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-111.4	17.5	-177.1	-64.4	-92.3	0	0	0	112.9	I460 F465 L468 I471 M473 C479 C480 V484 V539	I460-F482 HydrophobicContact CG2-CZ 4.21Å; F465-F482 HydrophobicContact CB-CE1 4.46Å; L468-F482 HydrophobicContact CD1-CE1 3.93Å; L468-F482 HydrophobicContact CD1-CZ 4.38Å; I471-F482 HydrophobicContact CD1-CB 4.18Å; I471-F482 HydrophobicContact CD1-CD1 3.41Å; I471-F482 VanDerWaalsContact CD1-CD1 3.41Å; I471-F482 HydrophobicContact CD1-CD2 4.01Å; I471-F482 HydrophobicContact CD1-CE1 3.71Å; I471-F482 HydrophobicContact CD1-CE2 4.29Å; I471-F482 HydrophobicContact CD1-CG 3.58Å; I471-F482 HydrophobicContact CD1-CZ 4.15Å; M473-F482 HydrophobicContact CE-CE2 3.69Å; M473-F482 HydrophobicContact CE-CZ 4.18Å; C479-F482 PolarHBondContact O-N 3.18Å; C479-F482 VanDerWaalsContact O-N 3.15Å; C480-F482 PolarHBondContact O-N 3.44Å; F482-V484 HydrophobicContact CB-CG2 4.13Å; F482-V484 PolarHBondContact O-N 2.83Å; F482-V484 VanDerWaalsContact O-N 3.11Å; F482-V539 HydrophobicContact CB-CG1 4.27Å
483	G	70.4	Confident	66.1	Low	49 Å²	49	49.1 Å²	49.1	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	2.3	170.9	0	0	0	0	0	116.4	C480 C485 E486	C480-G483 PolarHBondContact O-N 2.98Å; G483-C485 PolarHBondContact O-N 2.96Å; G483-E486 PolarHBondContact O-N 2.93Å
484	V	65.4	Low	63	Low	25 Å²	25	56.6 Å²	56.6	15%	0.152	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.4	-173.2	-173.6	0	0	0	0	113.7	F482 E486 V539 C541	F482-V484 HydrophobicContact CB-CG2 4.13Å; F482-V484 PolarHBondContact O-N 2.83Å; F482-V484 VanDerWaalsContact O-N 3.11Å; V484-E486 PolarHBondContact O-N 3.44Å; V484-V539 HydrophobicContact CG2-CB 4.46Å; V484-V539 WeakPolarHBondContact CG2-O 3.07Å; V484-C541 HydrophobicContact CG1-CB 4.46Å; V484-C541 HydrophobicContact CG2-CB 3.73Å
485	C	54.3	Low	60.2	Low	45 Å²	45	66.5 Å²	66.5	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-34.8	-175.1	-45.3	0	0	0	0	114.5	G483 C551	G483-C485 PolarHBondContact O-N 2.96Å; C485-C551 PolarHBondContact SG-SG 3.24Å
486	E	47.9	Very low	57.4	Low	131 Å²	131	72.6 Å²	72.6	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-74.9	-29.7	-172.6	-69.9	-152.6	159.4	0	0	113.8	G483 V484 K490	G483-E486 PolarHBondContact O-N 2.93Å; V484-E486 PolarHBondContact O-N 3.44Å; E486-K490 IonicContact OE2-NZ 3.05Å; E486-K490 PolarHBondContact OE2-NZ 3.44Å
487	N	45.4	Very low	54.9	Low	62 Å²	62	81.7 Å²	81.7	33%	0.332	42%	0.419	S	S	.	.	H	α-helix	trans	-79.3	-31.4	-170.9	-71.8	-23	0	0	0	112.6	Y489 K490 I491	N487-Y489 VanDerWaalsContact C-N 3.31Å; N487-Y489 PolarHBondContact O-N 2.03Å; N487-K490 PolarHBondContact O-N 2.81Å; N487-K490 VanDerWaalsContact O-N 3.07Å; N487-I491 WeakPolarHBondContact O-CG1 3.46Å; N487-I491 PolarHBondContact O-N 3.4Å
488	A	42.6	Very low	52.3	Low	66 Å²	66	84.4 Å²	84.4	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-59.6	-38.9	177.4	0	0	0	0	0	112.9	S492	A488-S492 PolarHBondContact O-OG 2.88Å
489	Y	38	Very low	49.6	Very low	149 Å²	149	92.1 Å²	92.1	58%	0.584	49%	0.49	S	S	*	.	H	α-helix	trans	-80	-15.6	175.8	-85.9	-82.3	0	0	0	114.2	N487 S492 N493	N487-Y489 VanDerWaalsContact C-N 3.31Å; N487-Y489 PolarHBondContact O-N 2.03Å; Y489-S492 PolarHBondContact O-OG 3.1Å; Y489-N493 PolarHBondContact O-ND2 3.3Å
490	K	34.6	Very low	46.9	Very low	114 Å²	114	100.3 Å²	100.3	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-81.7	-44.6	173.1	-77.4	168	-179.5	155	0	111.4	E486 N487 S492 N493 Q494	E486-K490 IonicContact OE2-NZ 3.05Å; E486-K490 PolarHBondContact OE2-NZ 3.44Å; N487-K490 PolarHBondContact O-N 2.81Å; N487-K490 VanDerWaalsContact O-N 3.07Å; K490-S492 PolarHBondContact O-N 3.2Å; K490-N493 PolarHBondContact O-N 3.26Å; K490-N493 VanDerWaalsContact O-N 3.11Å; K490-Q494 PolarHBondContact O-N 3.17Å
491	I	40.9	Very low	44.1	Very low	102 Å²	102	104.8 Å²	104.8	52%	0.523	57%	0.565	S	S	.	*	H	α-helix	trans	-60.5	-43.6	-178.2	-65.9	165.6	0	0	0	111.5	N487 N493 Q494 W495	N487-I491 WeakPolarHBondContact O-CG1 3.46Å; N487-I491 PolarHBondContact O-N 3.4Å; I491-N493 VanDerWaalsContact C-N 3.27Å; I491-N493 PolarHBondContact O-N 3.31Å; I491-Q494 PolarHBondContact O-N 2.81Å; I491-Q494 VanDerWaalsContact O-N 3.15Å; I491-W495 PolarHBondContact O-N 3.47Å
492	S	33	Very low	41.5	Very low	62 Å²	62	108.8 Å²	108.8	43%	0.434	59%	0.591	S	S	.	*	H	α-helix	trans	-64.3	-27.5	177.2	58.6	0	0	0	0	114.1	A488 Y489 K490	A488-S492 PolarHBondContact O-OG 2.88Å; Y489-S492 PolarHBondContact O-OG 3.1Å; K490-S492 PolarHBondContact O-N 3.2Å
493	N	32.5	Very low	38.9	Very low	109 Å²	109	116.9 Å²	116.9	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-85.1	-20.5	175.2	-80.8	-68.7	0	0	0	113.3	Y489 K490 I491	Y489-N493 PolarHBondContact O-ND2 3.3Å; K490-N493 PolarHBondContact O-N 3.26Å; K490-N493 VanDerWaalsContact O-N 3.11Å; I491-N493 VanDerWaalsContact C-N 3.27Å; I491-N493 PolarHBondContact O-N 3.31Å
494	Q	28.4	Very low	37.1	Very low	157 Å²	157	121.6 Å²	121.6	73%	0.734	65%	0.645	S	S	*	*	H	α-helix	trans	-80	-32.8	177.3	-163.1	165.7	0.8	0	0	112.2	K490 I491 N496	K490-Q494 PolarHBondContact O-N 3.17Å; I491-Q494 PolarHBondContact O-N 2.81Å; I491-Q494 VanDerWaalsContact O-N 3.15Å; Q494-N496 VanDerWaalsContact C-N 3.26Å; Q494-N496 PolarHBondContact O-N 2.83Å
495	W	32.4	Very low	35.2	Very low	227 Å²	227	128 Å²	128	86%	0.86	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-15.8	172.8	-82.1	45.1	0	0	0	113.9	I491	I491-W495 PolarHBondContact O-N 3.47Å
496	N	31.4	Very low	34.1	Very low	144 Å²	144	134 Å²	134	77%	0.77	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	22	-179.5	-102.5	-24.4	0	0	0	113.9	Q494	Q494-N496 VanDerWaalsContact C-N 3.26Å; Q494-N496 PolarHBondContact O-N 2.83Å
497	K	33.5	Very low	33.3	Very low	196 Å²	196	136.4 Å²	136.4	85%	0.852	72%	0.717	S	S	*	*	S	Bend	trans	-137.5	36.8	-177.7	-143.7	173.5	-173.6	179	0	114
498	G	33.3	Very low	32.5	Very low	63 Å²	63	143.1 Å²	143.1	65%	0.649	74%	0.744	S	S	*	*			trans	-113.5	-14.6	-177.7	0	0	0	0	0	116.8
499	D	32.9	Very low	31.8	Very low	162 Å²	162	149.4 Å²	149.4	87%	0.866	76%	0.759	S	S	*	*			trans	-101.1	85.8	-175.3	-78.4	-49.4	0	0	0	113
500	N	33.4	Very low	31.3	Very low	172 Å²	172	149.7 Å²	149.7	92%	0.92	77%	0.77	S	S	*	*			trans	-168.6	60.2	156.6	-108.5	-47.1	0	0	0	113.7
501	S	27.9	Very low	31.2	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	79%	0.788	S	S	*	*	S	Bend	trans	-144.8	132.8	158.8	54.3	0	0	0	0	110
502	S	28.9	Very low	30.5	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	80%	0.804	S	S	*	*			trans	-64.7	139.7	-170.8	47.8	0	0	0	0	113.7	D504	S502-D504 PolarHBondContact O-N 2.84Å
503	M	30.1	Very low	30.2	Very low	191 Å²	191	152.9 Å²	152.9	94%	0.941	82%	0.82	S	S	*	*			trans	-75.2	99.4	166.9	175.6	146.7	53	0	0	110.6
504	D	31.6	Very low	29.9	Very low	147 Å²	147	154.8 Å²	154.8	79%	0.786	82%	0.824	S	S	*	*			trans	-146.5	168.9	160	-127.3	-32.8	0	0	0	108.2	S502	S502-D504 PolarHBondContact O-N 2.84Å
505	D	27.1	Very low	29.8	Very low	161 Å²	161	152.6 Å²	152.6	86%	0.861	81%	0.814	S	S	*	*			trans	63.4	51.2	-179.8	-83.2	-27.5	0	0	0	117.7
506	L	30.6	Very low	30	Very low	169 Å²	169	147.8 Å²	147.8	89%	0.885	81%	0.809	S	S	*	*			trans	-101.2	50.2	160	-160.5	78.3	0	0	0	113.2
507	H	31.9	Very low	30	Very low	182 Å²	182	144.2 Å²	144.2	84%	0.843	79%	0.787	S	S	*	*			trans	-143.8	67.9	176.7	-90.5	-40.8	0	0	0	115.4
508	K	28.6	Very low	30	Very low	204 Å²	204	136.7 Å²	136.7	89%	0.887	76%	0.757	S	S	*	*			trans	-176.9	142.9	149.7	-97.5	143.4	-170.7	166.2	0	106.9
509	K	26.3	Very low	30.5	Very low	197 Å²	197	142.3 Å²	142.3	86%	0.857	77%	0.766	S	S	*	*			cis	-160.8	139.8	27.9	-155.1	-178.8	-178	-173	0	109.9
510	D	28.7	Very low	30.9	Very low	155 Å²	155	139.9 Å²	139.9	83%	0.829	75%	0.745	S	S	*	*			trans	-74.7	159.5	166.3	-88.1	-60.4	0	0	0	112.6
511	A	32.4	Very low	31.5	Very low	105 Å²	105	137.4 Å²	137.4	87%	0.868	73%	0.731	S	S	*	*			trans	54.6	105.3	155.9	0	0	0	0	0	119
512	G	25.7	Very low	32.5	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	72%	0.721	S	S	*	*			trans	-132.5	136.1	151.3	0	0	0	0	0	108.8
513	M	26.3	Very low	33.3	Very low	156 Å²	156	138 Å²	138	77%	0.768	71%	0.712	S	S	*	*			trans	-123.4	155	-174	-170.1	166.5	80	0	0	110.7
514	F	26.2	Very low	34.2	Very low	149 Å²	149	134.1 Å²	134.1	65%	0.654	70%	0.695	S	S	*	*			trans	73.1	154.3	-173.1	-56.5	-77.2	0	0	0	114.2
515	Q	26	Very low	34.9	Very low	112 Å²	112	132.7 Å²	132.7	52%	0.523	68%	0.682	S	S	.	*			cis	-144.9	156.2	7.8	-144.4	134.2	26.2	0	0	111.4	Q17	Q17-Q515 HydrophobicContact CB-CG 4.31Å; Q17-Q515 HydrophobicContact CG-CG 4.45Å
516	V	38.1	Very low	36	Very low	126 Å²	126	129.9 Å²	129.9	76%	0.764	67%	0.666	S	S	*	*			trans	-81.4	126.7	169.6	172.1	0	0	0	0	109
517	Q	30	Very low	36.8	Very low	68 Å²	68	126.3 Å²	126.3	32%	0.318	65%	0.648	S	S	.	*			trans	-156.3	150.9	166.4	-164.2	127.1	-67.4	0	0	113.7	L15	L15-Q517 VanDerWaalsContact C-OE1 3.23Å; L15-Q517 HydrophobicContact CD2-CG 4.43Å; L15-Q517 HydrophobicContact CG-CG 4.03Å; L15-Q517 VanDerWaalsContact N-NE2 3.12Å; L15-Q517 VanDerWaalsContact O-CD 3.29Å; L15-Q517 PolarHBondContact O-NE2 3.16Å; L15-Q517 PolarHBondContact O-OE1 3.14Å
518	D	35.2	Very low	37.3	Very low	38 Å²	38	122.7 Å²	122.7	20%	0.203	64%	0.635	C	S	.	*			trans	53.9	117.7	161.4	-81.1	28.4	0	0	0	119.4	L15 R520 D521	L15-D518 VanDerWaalsContact CD1-OD1 3.32Å; L15-D518 WeakPolarHBondContact CD1-OD1 3.41Å; L15-D518 WeakPolarHBondContact CG-OD1 3.39Å; D518-R520 PolarHBondContact O-N 3.38Å; D518-R520 IonicContact OD2-CZ 2.64Å; D518-R520 IonicContact OD2-NH2 2.69Å; D518-R520 PolarHBondContact OD2-NH2 3.27Å; D518-D521 PolarHBondContact O-N 2.88Å
519	E	42.9	Very low	38	Very low	181 Å²	181	118.5 Å²	118.5	85%	0.846	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-7.6	-179.3	-60.2	171.5	130.1	0	0	114.5
520	R	42.3	Very low	38.8	Very low	112 Å²	112	114.3 Å²	114.3	42%	0.423	60%	0.6	S	S	.	*	H	α-helix	trans	-72.4	-36.1	176.9	-90	-179	-70.1	-91.9	-13.8	113.6	D518 L522 E523 D524	D518-R520 PolarHBondContact O-N 3.38Å; D518-R520 IonicContact OD2-CZ 2.64Å; D518-R520 IonicContact OD2-NH2 2.69Å; D518-R520 PolarHBondContact OD2-NH2 3.27Å; R520-L522 PolarHBondContact O-N 3.47Å; R520-E523 PolarHBondContact O-N 3.15Å; R520-D524 PolarHBondContact O-N 2.66Å
521	D	45.6	Very low	39.5	Very low	119 Å²	119	113 Å²	113	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-65.1	-24	-178.3	-69.7	16.3	0	0	0	110.8	D518 F525	D518-D521 PolarHBondContact O-N 2.88Å; D521-F525 WeakPolarHBondContact O-CB 3.42Å; D521-F525 PolarHBondContact O-N 2.63Å
522	L	47.8	Very low	40	Very low	111 Å²	111	113.1 Å²	113.1	58%	0.581	58%	0.575	S	S	*	*	H	α-helix	trans	-78.7	-34.8	171.4	-173.9	63	0	0	0	112.8	R520 L526	R520-L522 PolarHBondContact O-N 3.47Å; L522-L526 HydrophobicContact CD1-CD1 4.5Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 VanDerWaalsContact O-CB 3.24Å; L522-L526 WeakPolarHBondContact O-CB 3.37Å; L522-L526 WeakPolarHBondContact O-CD1 3.29Å; L522-L526 WeakPolarHBondContact O-CG 3.36Å; L522-L526 PolarHBondContact O-N 3.19Å
523	E	47	Very low	41	Very low	132 Å²	132	115.6 Å²	115.6	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-69.1	-44.7	172.6	-90.5	-175.5	143.8	0	0	111.5	R520 L526 L527	R520-E523 PolarHBondContact O-N 3.15Å; E523-L526 PolarHBondContact O-N 3.11Å; E523-L527 WeakPolarHBondContact O-CB 3.19Å; E523-L527 VanDerWaalsContact O-CG 3.26Å; E523-L527 WeakPolarHBondContact O-CG 3.47Å; E523-L527 PolarHBondContact O-N 2.95Å
524	D	47.7	Very low	41.9	Very low	109 Å²	109	112 Å²	112	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-37.7	174.8	-81.2	-18.1	0	0	0	111.4	R520 L527 D528	R520-D524 PolarHBondContact O-N 2.66Å; D524-L527 PolarHBondContact O-N 3.41Å; D524-D528 WeakPolarHBondContact O-CB 3.23Å; D524-D528 PolarHBondContact O-N 3.33Å
525	F	47.1	Very low	42.7	Very low	116 Å²	116	107.8 Å²	107.8	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-69.2	-33.1	173.5	-176.2	-99.3	0	0	0	113.2	D521 F529	D521-F525 WeakPolarHBondContact O-CB 3.42Å; D521-F525 PolarHBondContact O-N 2.63Å; F525-F529 HydrophobicContact CD1-CD2 4.29Å; F525-F529 AromaticContact CE1-CD2 3.82Å; F525-F529 HydrophobicContact CE1-CD2 3.82Å; F525-F529 AromaticContact CE1-CE2 3.77Å; F525-F529 HydrophobicContact CE1-CE2 3.77Å; F525-F529 HydrophobicContact CE2-CD2 4.29Å; F525-F529 HydrophobicContact CE2-CE2 4.09Å; F525-F529 AromaticContact CZ-CD2 3.84Å; F525-F529 HydrophobicContact CZ-CD2 3.84Å; F525-F529 AromaticContact CZ-CE2 3.46Å; F525-F529 HydrophobicContact CZ-CE2 3.46Å; F525-F529 VanDerWaalsContact CZ-CE2 3.46Å; F525-F529 WeakPolarHBondContact O-CB 3.23Å; F525-F529 PolarHBondContact O-N 2.95Å
526	L	49.4	Very low	43.7	Very low	102 Å²	102	108.6 Å²	108.6	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-70.8	-35.9	171.3	-79.8	167.6	0	0	0	111.8	L522 E523 F529 E530	L522-L526 HydrophobicContact CD1-CD1 4.5Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 VanDerWaalsContact O-CB 3.24Å; L522-L526 WeakPolarHBondContact O-CB 3.37Å; L522-L526 WeakPolarHBondContact O-CD1 3.29Å; L522-L526 WeakPolarHBondContact O-CG 3.36Å; L522-L526 PolarHBondContact O-N 3.19Å; E523-L526 PolarHBondContact O-N 3.11Å; L526-F529 PolarHBondContact O-N 2.96Å; L526-E530 WeakPolarHBondContact O-CB 3.33Å; L526-E530 PolarHBondContact O-N 3.28Å
527	L	47.8	Very low	44.4	Very low	95 Å²	95	109.1 Å²	109.1	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-68.7	-39.2	173.2	-75.2	167.2	0	0	0	111.6	E523 D524 E530 E531	E523-L527 WeakPolarHBondContact O-CB 3.19Å; E523-L527 VanDerWaalsContact O-CG 3.26Å; E523-L527 WeakPolarHBondContact O-CG 3.47Å; E523-L527 PolarHBondContact O-N 2.95Å; D524-L527 PolarHBondContact O-N 3.41Å; L527-E530 CarbonylContact O-C 3.07Å; L527-E530 PolarHBondContact O-N 3.09Å; L527-E531 VanDerWaalsContact O-CB 3.3Å; L527-E531 WeakPolarHBondContact O-CB 3.4Å; L527-E531 VanDerWaalsContact O-CG 3.26Å; L527-E531 WeakPolarHBondContact O-CG 3.12Å; L527-E531 PolarHBondContact O-N 3.38Å
528	D	42	Very low	46.2	Very low	106 Å²	106	108.7 Å²	108.7	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-42.2	173.4	-157.9	41.8	0	0	0	110.2	D524 E530 E531 D532	D524-D528 WeakPolarHBondContact O-CB 3.23Å; D524-D528 PolarHBondContact O-N 3.33Å; D528-E530 PolarHBondContact O-N 3.24Å; D528-E531 PolarHBondContact O-N 3.12Å; D528-D532 WeakPolarHBondContact O-CB 3.25Å; D528-D532 PolarHBondContact O-N 3.22Å
529	F	44.5	Very low	48.3	Very low	116 Å²	116	109 Å²	109	51%	0.509	55%	0.55	S	S	.	.	H	α-helix	trans	-64.5	-36.8	170.9	-106.9	-100.4	0	0	0	113.7	F525 L526 L533	F525-F529 HydrophobicContact CD1-CD2 4.29Å; F525-F529 AromaticContact CE1-CD2 3.82Å; F525-F529 HydrophobicContact CE1-CD2 3.82Å; F525-F529 AromaticContact CE1-CE2 3.77Å; F525-F529 HydrophobicContact CE1-CE2 3.77Å; F525-F529 HydrophobicContact CE2-CD2 4.29Å; F525-F529 HydrophobicContact CE2-CE2 4.09Å; F525-F529 AromaticContact CZ-CD2 3.84Å; F525-F529 HydrophobicContact CZ-CD2 3.84Å; F525-F529 AromaticContact CZ-CE2 3.46Å; F525-F529 HydrophobicContact CZ-CE2 3.46Å; F525-F529 VanDerWaalsContact CZ-CE2 3.46Å; F525-F529 WeakPolarHBondContact O-CB 3.23Å; F525-F529 PolarHBondContact O-N 2.95Å; L526-F529 PolarHBondContact O-N 2.96Å; F529-L533 VanDerWaalsContact O-CB 3.29Å; F529-L533 WeakPolarHBondContact O-CB 3.17Å; F529-L533 WeakPolarHBondContact O-CG 3.44Å; F529-L533 PolarHBondContact O-N 3.46Å
530	E	43.2	Very low	50.3	Low	109 Å²	109	106.6 Å²	106.6	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-76.7	-29.5	176.6	-135	-166.1	-134.9	0	0	112.2	L526 L527 D528 K534	L526-E530 WeakPolarHBondContact O-CB 3.33Å; L526-E530 PolarHBondContact O-N 3.28Å; L527-E530 CarbonylContact O-C 3.07Å; L527-E530 PolarHBondContact O-N 3.09Å; D528-E530 PolarHBondContact O-N 3.24Å; E530-K534 WeakPolarHBondContact O-CB 3.26Å; E530-K534 WeakPolarHBondContact O-CD 3.36Å; E530-K534 WeakPolarHBondContact O-CE 3.4Å; E530-K534 WeakPolarHBondContact O-CG 3.28Å; E530-K534 PolarHBondContact O-N 3.31Å; E530-K534 VanDerWaalsContact O-N 3.11Å; E530-K534 WeakPolarHBondContact OE2-CE 3.4Å; E530-K534 IonicContact OE2-NZ 3.73Å; E530-K534 PolarHBondContact OE2-NZ 3.09Å
531	E	43.3	Very low	52.6	Low	128 Å²	128	101.6 Å²	101.6	60%	0.598	52%	0.52	S	S	*	.	H	α-helix	trans	-67.6	-48.5	168.9	-76.2	-102.9	115.7	0	0	109.8	L527 D528 L533 K534 A535	L527-E531 VanDerWaalsContact O-CB 3.3Å; L527-E531 WeakPolarHBondContact O-CB 3.4Å; L527-E531 VanDerWaalsContact O-CG 3.26Å; L527-E531 WeakPolarHBondContact O-CG 3.12Å; L527-E531 PolarHBondContact O-N 3.38Å; D528-E531 PolarHBondContact O-N 3.12Å; E531-L533 PolarHBondContact O-N 3.12Å; E531-K534 CarbonylContact O-C 3.47Å; E531-K534 WeakPolarHBondContact O-CA 3.32Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.99Å; E531-A535 WeakPolarHBondContact O-CA 3.46Å; E531-A535 WeakPolarHBondContact O-CB 3.23Å; E531-A535 PolarHBondContact O-N 3.11Å
532	D	41.2	Very low	54.6	Low	106 Å²	106	98.1 Å²	98.1	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-43.3	178.6	-124.6	3.3	0	0	0	111.6	D528 K534 A535 L536	D528-D532 WeakPolarHBondContact O-CB 3.25Å; D528-D532 PolarHBondContact O-N 3.22Å; D532-K534 PolarHBondContact O-N 3.01Å; D532-A535 PolarHBondContact O-N 3.01Å; D532-A535 VanDerWaalsContact O-N 3.11Å; D532-L536 WeakPolarHBondContact O-CD1 3.35Å; D532-L536 PolarHBondContact O-N 3.11Å
533	L	46.7	Very low	56.4	Low	137 Å²	137	95.8 Å²	95.8	72%	0.717	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-22.1	173.5	-78.4	169.2	0	0	0	113.6	F529 E531	F529-L533 VanDerWaalsContact O-CB 3.29Å; F529-L533 WeakPolarHBondContact O-CB 3.17Å; F529-L533 WeakPolarHBondContact O-CG 3.44Å; F529-L533 PolarHBondContact O-N 3.46Å; E531-L533 PolarHBondContact O-N 3.12Å
534	K	45.4	Very low	58.1	Low	79 Å²	79	93.5 Å²	93.5	34%	0.343	50%	0.495	S	S	.	.	H	α-helix	trans	-83	-42.5	167.1	-71.6	160.6	-162.6	155.1	0	110.8	E530 E531 D532 L536 H537	E530-K534 WeakPolarHBondContact O-CB 3.26Å; E530-K534 WeakPolarHBondContact O-CD 3.36Å; E530-K534 WeakPolarHBondContact O-CE 3.4Å; E530-K534 WeakPolarHBondContact O-CG 3.28Å; E530-K534 PolarHBondContact O-N 3.31Å; E530-K534 VanDerWaalsContact O-N 3.11Å; E530-K534 WeakPolarHBondContact OE2-CE 3.4Å; E530-K534 IonicContact OE2-NZ 3.73Å; E530-K534 PolarHBondContact OE2-NZ 3.09Å; E531-K534 CarbonylContact O-C 3.47Å; E531-K534 WeakPolarHBondContact O-CA 3.32Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.99Å; D532-K534 PolarHBondContact O-N 3.01Å; K534-L536 VanDerWaalsContact C-N 3.26Å; K534-L536 CarbonylContact O-C 3.39Å; K534-L536 PolarHBondContact O-N 3.16Å; K534-H537 PolarHBondContact O-CD2 3.04Å; K534-H537 VanDerWaalsContact O-CD2 3.31Å; K534-H537 PolarHBondContact O-CE1 3.32Å; K534-H537 PolarHBondContact O-N 3.09Å; K534-H537 PolarHBondContact O-ND1 2.96Å; K534-H537 PolarHBondContact O-NE2 3.38Å
535	A	43.2	Very low	59.8	Low	61 Å²	61	89.4 Å²	89.4	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-68.1	-16.5	-167.6	0	0	0	0	0	114.4	E531 D532 H537	E531-A535 WeakPolarHBondContact O-CA 3.46Å; E531-A535 WeakPolarHBondContact O-CB 3.23Å; E531-A535 PolarHBondContact O-N 3.11Å; D532-A535 PolarHBondContact O-N 3.01Å; D532-A535 VanDerWaalsContact O-N 3.11Å; A535-H537 PolarHBondContact O-N 3.1Å
536	L	47.6	Very low	61.2	Low	130 Å²	130	85.3 Å²	85.3	68%	0.681	47%	0.465	S	S	*	.			trans	-66.5	55.7	154.5	-81	88.1	0	0	0	111.6	D532 K534 S538	D532-L536 WeakPolarHBondContact O-CD1 3.35Å; D532-L536 PolarHBondContact O-N 3.11Å; K534-L536 VanDerWaalsContact C-N 3.26Å; K534-L536 CarbonylContact O-C 3.39Å; K534-L536 PolarHBondContact O-N 3.16Å; L536-S538 PolarHBondContact O-N 2.92Å
537	H	53.2	Low	62.3	Low	137 Å²	137	82.5 Å²	82.5	63%	0.634	45%	0.453	S	S	*	.			trans	-74.4	38.6	176.4	-78.7	118.4	0	0	0	112.8	K469 K534 A535	K469-H537 PolarHBondContact NZ-CD2 2.96Å; K469-H537 PolarHBondContact NZ-NE2 2.96Å; K469-H537 VanDerWaalsContact NZ-NE2 3.12Å; K534-H537 PolarHBondContact O-CD2 3.04Å; K534-H537 VanDerWaalsContact O-CD2 3.31Å; K534-H537 PolarHBondContact O-CE1 3.32Å; K534-H537 PolarHBondContact O-N 3.09Å; K534-H537 PolarHBondContact O-ND1 2.96Å; K534-H537 PolarHBondContact O-NE2 3.38Å; A535-H537 PolarHBondContact O-N 3.1Å
538	S	66.6	Low	63.8	Low	59 Å²	59	79.3 Å²	79.3	41%	0.413	44%	0.435	S	S	.	.	S	Bend	trans	-106.5	119.9	168	62.1	0	0	0	0	109.7	L536 Q540	L536-S538 PolarHBondContact O-N 2.92Å; S538-Q540 PolarHBondContact O-N 3.27Å
539	V	79.3	Confident	65.8	Low	45 Å²	45	77.2 Å²	77.2	27%	0.273	42%	0.421	S	S	.	.			trans	-58.1	114.8	176.3	-174.5	0	0	0	0	109.5	L468 I471 F482 V484 C541	L468-V539 WeakPolarHBondContact O-CG2 3.37Å; I471-V539 HydrophobicContact CD1-CG1 3.52Å; I471-V539 HydrophobicContact CG1-CG1 3.92Å; F482-V539 HydrophobicContact CB-CG1 4.27Å; V484-V539 HydrophobicContact CG2-CB 4.46Å; V484-V539 WeakPolarHBondContact CG2-O 3.07Å; V539-C541 PolarHBondContact O-N 2.98Å
540	Q	86.2	Confident	67.7	Low	129 Å²	129	72.2 Å²	72.2	60%	0.603	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.6	176.1	-175.6	178	5.3	0	0	108.5	K469 I470 I471 S538	K469-Q540 PolarHBondContact O-N 3.32Å; I470-Q540 WeakPolarHBondContact CA-O 3.47Å; I471-Q540 PolarHBondContact N-O 2.84Å; S538-Q540 PolarHBondContact O-N 3.27Å
541	C	88.9	Confident	69.7	Low	7 Å²	7	68.1 Å²	68.1	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132	174.5	-165.6	0	0	0	0	111.5	I471 C479 V484 V539	I471-C541 HydrophobicContact CB-CB 4.05Å; I471-C541 CarbonylContact O-C 2.95Å; I471-C541 VanDerWaalsContact O-CA 3.28Å; I471-C541 WeakPolarHBondContact O-CA 3.34Å; C479-C541 WeakPolarHBondContact CA-SG 3.35Å; C479-C541 HydrophobicContact CB-CB 3.53Å; C479-C541 WeakPolarHBondContact CB-SG 2.86Å; C479-C541 WeakPolarHBondContact SG-CB 3.17Å; C479-C541 CovalentContact SG-SG 2.03Å; C479-C541 PolarHBondContact SG-SG 3.43Å; V484-C541 HydrophobicContact CG1-CB 4.46Å; V484-C541 HydrophobicContact CG2-CB 3.73Å; V539-C541 PolarHBondContact O-N 2.98Å
542	S	87.8	Confident	71.7	Confident	46 Å²	46	67.6 Å²	67.6	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.8	174	72.2	0	0	0	0	111.6	I471 E472 M473	I471-S542 PolarHBondContact O-N 3.24Å; E472-S542 CarbonylContact C-O 3.5Å; E472-S542 WeakPolarHBondContact CA-O 3.45Å; E472-S542 WeakPolarHBondContact CG-OG 3.45Å; M473-S542 PolarHBondContact N-O 3.24Å
543	P	87.2	Confident	73.9	Confident	62 Å²	62	64.4 Å²	64.4	40%	0.403	36%	0.362	S	S	.	.	S	Bend	cis	-64.7	142.3	-14.6	29.5	-33.1	0	0	0	110.4	M473 A476 C479	M473-P543 WeakPolarHBondContact O-CD 3.19Å; A476-P543 VanDerWaalsContact CA-O 3.27Å; A476-P543 WeakPolarHBondContact CA-O 3.46Å; A476-P543 HydrophobicContact CB-CB 4.49Å; A476-P543 HydrophobicContact CB-CG 4.11Å; A476-P543 WeakPolarHBondContact CB-O 3.36Å; C479-P543 PolarHBondContact SG-O 3.19Å; C479-P543 VanDerWaalsContact SG-O 3.37Å
544	S	81.1	Confident	75.8	Confident	84 Å²	84	57.9 Å²	57.9	59%	0.587	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-70.5	146.7	-174.9	45.6	0	0	0	0	112.2
545	P	83.5	Confident	77.6	Confident	24 Å²	24	54.1 Å²	54.1	16%	0.156	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-57.7	145.1	165.4	-20.4	32.1	0	0	0	110.6	C479	C479-P545 HydrophobicContact CB-CG 3.94Å
546	G	76.2	Confident	79.1	Confident	29 Å²	29	53.9 Å²	53.9	30%	0.299	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-154.2	175.5	-177.4	0	0	0	0	0	111.6	F548 K549	G546-F548 VanDerWaalsContact C-N 3.27Å; G546-F548 PolarHBondContact O-N 3.14Å; G546-K549 PolarHBondContact N-O 2.88Å; G546-K549 CarbonylContact O-C 3.52Å; G546-K549 WeakPolarHBondContact O-CA 3.41Å; G546-K549 PolarHBondContact O-N 3.1Å
547	P	73.6	Confident	80.9	Confident	44 Å²	44	49.7 Å²	49.7	29%	0.286	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.8	-174.5	18.3	-29.5	0	0	0	112.6	P798 K802	P547-P798 HydrophobicContact CB-CB 3.7Å; P547-P798 HydrophobicContact CG-CB 3.34Å; P547-P798 HydrophobicContact CG-CG 3.71Å; P547-K802 WeakPolarHBondContact O-CE 3.32Å; P547-K802 PolarHBondContact O-NZ 3Å
548	F	78.9	Confident	82.4	Confident	28 Å²	28	51.4 Å²	51.4	12%	0.123	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10	176.2	-66.3	-72	0	0	0	114.7	G546 P710 L711 L715 P798 I801 K802	G546-F548 VanDerWaalsContact C-N 3.27Å; G546-F548 PolarHBondContact O-N 3.14Å; F548-P710 WeakPolarHBondContact O-CD 3.49Å; F548-P710 WeakPolarHBondContact O-CG 3.49Å; F548-L711 HydrophobicContact CD1-CD1 3.89Å; F548-L711 HydrophobicContact CE1-CD1 4.11Å; F548-L715 HydrophobicContact CB-CD1 3.97Å; F548-L715 HydrophobicContact CD1-CD1 3.98Å; F548-L715 HydrophobicContact CD1-CD2 4.13Å; F548-L715 HydrophobicContact CD2-CD1 4.28Å; F548-L715 HydrophobicContact CE1-CD2 4.1Å; F548-L715 HydrophobicContact CG-CD1 3.81Å; F548-P798 HydrophobicContact CE2-CB 3.97Å; F548-P798 HydrophobicContact CZ-CB 4.48Å; F548-I801 HydrophobicContact CE1-CG2 4.45Å; F548-I801 HydrophobicContact CZ-CB 3.97Å; F548-I801 HydrophobicContact CZ-CG2 3.7Å; F548-K802 HydrophobicContact CD1-CG 4.35Å; F548-K802 HydrophobicContact CE1-CG 3.84Å; F548-K802 HydrophobicContact CZ-CG 4.42Å
549	K	84.4	Confident	83.4	Confident	61 Å²	61	55.2 Å²	55.2	27%	0.265	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-132	70	172.1	-61.6	-159.3	179.9	-158.9	0	109.7	A476 G546 E632 A708	A476-K549 HydrophobicContact CB-CB 4.25Å; A476-K549 HydrophobicContact CB-CD 4.39Å; G546-K549 PolarHBondContact N-O 2.88Å; G546-K549 CarbonylContact O-C 3.52Å; G546-K549 WeakPolarHBondContact O-CA 3.41Å; G546-K549 PolarHBondContact O-N 3.1Å; K549-E632 WeakPolarHBondContact CE-OE2 3.44Å; K549-E632 IonicContact NZ-OE1 2.64Å; K549-E632 PolarHBondContact NZ-OE1 3.42Å; K549-E632 IonicContact NZ-OE2 3.04Å; K549-E632 PolarHBondContact NZ-OE2 3.49Å; K549-A708 WeakPolarHBondContact CE-O 3.47Å; K549-A708 PolarHBondContact NZ-O 3.05Å
550	P	85.3	Confident	83.8	Confident	12 Å²	12	53.7 Å²	53.7	8%	0.078	30%	0.297	C	S	.	.			trans	-79.1	167.2	-172.2	33.8	-36.8	0	0	0	112.2	H553 F624	P550-H553 WeakPolarHBondContact CB-O 3.21Å; P550-H553 WeakPolarHBondContact CG-O 2.9Å; P550-F624 HydrophobicContact CG-CD1 4.31Å; P550-F624 WeakPolarHBondContact O-CD1 3.21Å
551	C	84.4	Confident	84.1	Confident	23 Å²	23	48 Å²	48	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	-101.1	-45.6	-178.1	-58	0	0	0	0	113.8	C480 C485 F624 A625	C480-C551 HydrophobicContact CB-CB 3.66Å; C480-C551 WeakPolarHBondContact CB-SG 3.47Å; C480-C551 VanDerWaalsContact SG-CA 3.59Å; C480-C551 WeakPolarHBondContact SG-CB 3.32Å; C480-C551 CovalentContact SG-SG 2.03Å; C480-C551 PolarHBondContact SG-SG 3.17Å; C485-C551 PolarHBondContact SG-SG 3.24Å; C551-F624 PolarHBondContact O-N 3.39Å; C551-F624 VanDerWaalsContact O-N 3.16Å; C551-A625 HydrophobicContact CB-CB 4.34Å; C551-A625 PolarHBondContact O-N 3.47Å
552	E	84.9	Confident	84.2	Confident	116 Å²	116	52.5 Å²	52.5	54%	0.542	29%	0.292	S	S	.	.	S	Bend	trans	-84.2	-45.7	-174.4	-74.5	-71.9	128.5	0	0	112.8	G622 S623	E552-G622 CarbonylContact O-C 3.28Å; E552-G622 WeakPolarHBondContact O-CA 3.08Å; E552-G622 PolarHBondContact O-N 3.23Å; E552-S623 PolarHBondContact O-N 3.2Å
553	H	87.5	Confident	84.3	Confident	39 Å²	39	51 Å²	51	18%	0.181	28%	0.284	C	S	.	.			trans	-144.3	134.7	-159	-71	-9.7	0	0	0	109.7	P550 R561 F621 G622	P550-H553 WeakPolarHBondContact CB-O 3.21Å; P550-H553 WeakPolarHBondContact CG-O 2.9Å; H553-R561 PolarHBondContact CD2-NH1 2.87Å; H553-R561 PolarHBondContact CD2-NH2 2.81Å; H553-R561 PolarHBondContact ND1-NH2 3.16Å; H553-R561 PolarHBondContact NE2-NH1 3.14Å; H553-F621 AromaticContact CE1-CD1 3.82Å; H553-F621 AromaticContact CE1-CE1 3.53Å; H553-F621 AromaticContact CE1-CZ 3.7Å; H553-F621 AromaticContact NE2-CZ 3.81Å; H553-G622 PolarHBondContact ND1-N 2.79Å
554	L	86.5	Confident	84.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-72.7	-49.3	-178.7	173.5	59	0	0	0	111.3	V616 D617 F624 P710 L711 K802	L554-V616 HydrophobicContact CD2-CB 4.19Å; L554-V616 HydrophobicContact CD2-CG1 3.82Å; L554-D617 HydrophobicContact CB-CB 4.03Å; L554-D617 HydrophobicContact CD2-CB 4.46Å; L554-D617 PolarHBondContact N-OD1 3.41Å; L554-F624 HydrophobicContact CB-CD2 4.07Å; L554-F624 HydrophobicContact CB-CE2 4.22Å; L554-F624 HydrophobicContact CB-CG 4.44Å; L554-F624 HydrophobicContact CD1-CE1 4.25Å; L554-F624 HydrophobicContact CD1-CE2 4.07Å; L554-F624 HydrophobicContact CD1-CZ 3.86Å; L554-F624 HydrophobicContact CD2-CE2 4.37Å; L554-F624 HydrophobicContact CG-CE2 4.46Å; L554-P710 HydrophobicContact CD1-CB 3.78Å; L554-P710 HydrophobicContact CD1-CG 4.06Å; L554-L711 HydrophobicContact CD1-CD2 3.95Å; L554-L711 HydrophobicContact CG-CD2 4.36Å; L554-K802 PolarHBondContact O-NZ 3.38Å; L554-K802 VanDerWaalsContact O-NZ 3.13Å
555	L	84.3	Confident	85	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-81.8	-28.4	-170.4	-66.3	174.8	0	0	0	113.9	I560 R561 V564 D617 K802 L806	L555-I560 HydrophobicContact CB-CG2 4.1Å; L555-I560 HydrophobicContact CD2-CG2 4.39Å; L555-R561 HydrophobicContact CB-CG 4.14Å; L555-R561 HydrophobicContact CD1-CG 4.03Å; L555-V564 HydrophobicContact CD2-CG2 4.48Å; L555-D617 HydrophobicContact CD1-CB 3.75Å; L555-D617 HydrophobicContact CG-CB 3.79Å; L555-D617 PolarHBondContact N-OD1 2.93Å; L555-D617 VanDerWaalsContact N-OD1 3.1Å; L555-K802 WeakPolarHBondContact O-CD 3.14Å; L555-L806 HydrophobicContact CD2-CD1 3.87Å
556	D	74.8	Confident	85.4	Confident	56 Å²	56	52.4 Å²	52.4	30%	0.299	27%	0.274	S	S	.	.			trans	52.5	124.6	-166.7	-71.7	-46.5	0	0	0	115.8	K802	D556-K802 IonicContact OD2-NZ 3.81Å; D556-K802 PolarHBondContact OD2-NZ 3.12Å
557	G	84.3	Confident	86.1	Confident	42 Å²	42	51.3 Å²	51.3	43%	0.433	26%	0.261	S	S	.	.	S	Bend	trans	78.8	146.4	172.7	0	0	0	0	0	115.5	L559 R561	G557-L559 PolarHBondContact O-N 2.75Å; G557-R561 WeakPolarHBondContact O-CG 3.47Å; G557-R561 PolarHBondContact O-N 2.94Å
558	W	85.6	Confident	87.1	Confident	174 Å²	174	49.4 Å²	49.4	66%	0.659	25%	0.249	S	C	*	.	H	α-helix	trans	-70.3	-27.3	-176	-75.7	102.3	0	0	0	114.1	R561 I562	W558-R561 PolarHBondContact O-N 3.44Å; W558-I562 WeakPolarHBondContact O-CB 3.19Å; W558-I562 WeakPolarHBondContact O-CD1 3.36Å; W558-I562 WeakPolarHBondContact O-CG1 3.02Å; W558-I562 PolarHBondContact O-N 3.07Å
559	L	86.9	Confident	87.7	Confident	139 Å²	139	51.9 Å²	51.9	73%	0.728	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-43.6	178.7	-64.8	176.8	0	0	0	112.1	G557 G563	G557-L559 PolarHBondContact O-N 2.75Å; L559-G563 PolarHBondContact O-N 3.13Å
560	I	88.6	Confident	88.1	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-47	175.8	-63.2	179.4	0	0	0	109.5	L555 I562 G563 V564 K802 F803 L806 V807	L555-I560 HydrophobicContact CB-CG2 4.1Å; L555-I560 HydrophobicContact CD2-CG2 4.39Å; I560-I562 PolarHBondContact O-N 2.71Å; I560-G563 PolarHBondContact O-N 2.93Å; I560-V564 HydrophobicContact CG2-CG2 4.11Å; I560-V564 WeakPolarHBondContact O-CG2 3.2Å; I560-V564 PolarHBondContact O-N 3.45Å; I560-K802 HydrophobicContact CD1-CB 3.68Å; I560-K802 HydrophobicContact CD1-CD 4.41Å; I560-F803 HydrophobicContact CD1-CB 4.3Å; I560-F803 HydrophobicContact CG1-CB 4.31Å; I560-F803 HydrophobicContact CG1-CD2 4.04Å; I560-L806 HydrophobicContact CG2-CB 4.16Å; I560-L806 HydrophobicContact CG2-CD1 3.91Å; I560-V807 HydrophobicContact CG2-CG2 4.47Å
561	R	90.6	Very high	88.4	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.038	26%	0.264	C	S	.	.	H	α-helix	trans	-52.8	-55.4	175.8	-74.5	173.1	162.3	153.3	2	112.2	H553 L555 G557 W558 G563 V564 W565 D617 F621	H553-R561 PolarHBondContact CD2-NH1 2.87Å; H553-R561 PolarHBondContact CD2-NH2 2.81Å; H553-R561 PolarHBondContact ND1-NH2 3.16Å; H553-R561 PolarHBondContact NE2-NH1 3.14Å; L555-R561 HydrophobicContact CB-CG 4.14Å; L555-R561 HydrophobicContact CD1-CG 4.03Å; G557-R561 WeakPolarHBondContact O-CG 3.47Å; G557-R561 PolarHBondContact O-N 2.94Å; W558-R561 PolarHBondContact O-N 3.44Å; R561-G563 VanDerWaalsContact C-N 3.3Å; R561-G563 PolarHBondContact O-N 2.91Å; R561-V564 PolarHBondContact O-N 3.38Å; R561-W565 WeakPolarHBondContact O-CB 2.84Å; R561-W565 VanDerWaalsContact O-CD1 3.25Å; R561-W565 PolarHBondContact O-N 3.19Å; R561-D617 IonicContact CZ-OD1 3.56Å; R561-D617 IonicContact CZ-OD2 3.95Å; R561-D617 VanDerWaalsContact CZ-OD2 3.31Å; R561-D617 IonicContact NE-OD1 3.93Å; R561-D617 IonicContact NE-OD2 2.67Å; R561-D617 PolarHBondContact NE-OD2 3.41Å; R561-D617 IonicContact NH2-OD1 2.7Å; R561-D617 PolarHBondContact NH2-OD1 3.05Å; R561-D617 IonicContact NH2-OD2 3.11Å; R561-D617 PolarHBondContact NH2-OD2 2.97Å; R561-F621 VanDerWaalsContact CZ-CE2 3.4Å; R561-F621 VanDerWaalsContact NH1-CE2 3.26Å
562	I	91.1	Very high	88.8	Confident	102 Å²	102	52.7 Å²	52.7	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-39.6	-179.5	-67.6	165.5	0	0	0	110.9	W558 I560 T566	W558-I562 WeakPolarHBondContact O-CB 3.19Å; W558-I562 WeakPolarHBondContact O-CD1 3.36Å; W558-I562 WeakPolarHBondContact O-CG1 3.02Å; W558-I562 PolarHBondContact O-N 3.07Å; I560-I562 PolarHBondContact O-N 2.71Å; I562-T566 VanDerWaalsContact O-CB 3.25Å; I562-T566 WeakPolarHBondContact O-CB 3.22Å; I562-T566 PolarHBondContact O-N 3.1Å; I562-T566 PolarHBondContact O-OG1 2.96Å
563	G	90.7	Very high	89.1	Confident	14 Å²	14	50.9 Å²	50.9	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-58.2	173.7	0	0	0	0	0	113.1	L559 I560 R561 W565 T566 I567	L559-G563 PolarHBondContact O-N 3.13Å; I560-G563 PolarHBondContact O-N 2.93Å; R561-G563 VanDerWaalsContact C-N 3.3Å; R561-G563 PolarHBondContact O-N 2.91Å; G563-W565 PolarHBondContact O-N 3.49Å; G563-T566 PolarHBondContact O-N 3.3Å; G563-I567 WeakPolarHBondContact O-CB 3.46Å; G563-I567 VanDerWaalsContact O-CG1 3.29Å; G563-I567 WeakPolarHBondContact O-CG1 3.46Å; G563-I567 PolarHBondContact O-N 3.01Å
564	V	92	Very high	89.2	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-44.2	-178	-179.1	0	0	0	0	111.2	L555 I560 R561 T566 I567 A568 S610 A614 L806	L555-V564 HydrophobicContact CD2-CG2 4.48Å; I560-V564 HydrophobicContact CG2-CG2 4.11Å; I560-V564 WeakPolarHBondContact O-CG2 3.2Å; I560-V564 PolarHBondContact O-N 3.45Å; R561-V564 PolarHBondContact O-N 3.38Å; V564-T566 PolarHBondContact O-N 2.81Å; V564-I567 PolarHBondContact O-N 2.92Å; V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.48Å; V564-A568 PolarHBondContact O-N 2.89Å; V564-S610 WeakPolarHBondContact CG1-O 3.4Å; V564-A614 HydrophobicContact CG1-CB 4.06Å; V564-L806 HydrophobicContact CG2-CB 3.97Å
565	W	91.6	Very high	89.4	Confident	125 Å²	125	49.6 Å²	49.6	47%	0.473	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.3	-85.2	97.8	0	0	0	112.5	R561 G563 V569 A614 A618	R561-W565 WeakPolarHBondContact O-CB 2.84Å; R561-W565 VanDerWaalsContact O-CD1 3.25Å; R561-W565 PolarHBondContact O-N 3.19Å; G563-W565 PolarHBondContact O-N 3.49Å; W565-V569 WeakPolarHBondContact O-CG2 3.17Å; W565-V569 PolarHBondContact O-N 3.43Å; W565-V569 VanDerWaalsContact O-N 3.12Å; W565-A614 HydrophobicContact CD2-CB 4.1Å; W565-A614 HydrophobicContact CG-CB 4.31Å; W565-A614 HydrophobicContact CZ2-CB 4.18Å; W565-A618 HydrophobicContact CZ2-CB 4.3Å
566	T	91.7	Very high	89.6	Confident	71 Å²	71	51.8 Å²	51.8	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-44	177.6	-58	0	0	0	0	111.3	I562 G563 V564 V569 L570	I562-T566 VanDerWaalsContact O-CB 3.25Å; I562-T566 WeakPolarHBondContact O-CB 3.22Å; I562-T566 PolarHBondContact O-N 3.1Å; I562-T566 PolarHBondContact O-OG1 2.96Å; G563-T566 PolarHBondContact O-N 3.3Å; V564-T566 PolarHBondContact O-N 2.81Å; T566-V569 PolarHBondContact O-N 2.87Å; T566-L570 HydrophobicContact CG2-CD1 3.76Å; T566-L570 HydrophobicContact CG2-CG 4.31Å; T566-L570 WeakPolarHBondContact O-CB 3.44Å; T566-L570 WeakPolarHBondContact O-CG 3.26Å; T566-L570 PolarHBondContact O-N 3.33Å
567	I	91	Very high	90.2	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-45.1	178.3	-69.3	169.9	0	0	0	110.6	G563 V564 V569 L570 A571 V807 P810 L811	G563-I567 WeakPolarHBondContact O-CB 3.46Å; G563-I567 VanDerWaalsContact O-CG1 3.29Å; G563-I567 WeakPolarHBondContact O-CG1 3.46Å; G563-I567 PolarHBondContact O-N 3.01Å; V564-I567 PolarHBondContact O-N 2.92Å; I567-V569 PolarHBondContact O-N 3.27Å; I567-L570 PolarHBondContact O-N 3.06Å; I567-A571 WeakPolarHBondContact O-CB 3.32Å; I567-A571 PolarHBondContact O-N 3.47Å; I567-V807 HydrophobicContact CD1-CB 4.44Å; I567-V807 HydrophobicContact CD1-CG1 3.87Å; I567-V807 WeakPolarHBondContact CD1-O 3.36Å; I567-P810 HydrophobicContact CD1-CG 4.23Å; I567-P810 HydrophobicContact CG2-CB 4.02Å; I567-P810 HydrophobicContact CG2-CG 4.27Å; I567-L811 HydrophobicContact CD1-CD1 3.89Å; I567-L811 HydrophobicContact CG1-CD1 3.99Å
568	A	93.1	Very high	90.3	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-49.3	176.7	0	0	0	0	0	111.8	V564 L572 A611	V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.48Å; V564-A568 PolarHBondContact O-N 2.89Å; A568-L572 WeakPolarHBondContact O-CB 3.42Å; A568-L572 WeakPolarHBondContact O-CG 3.49Å; A568-L572 PolarHBondContact O-N 3.37Å; A568-A611 HydrophobicContact CB-CB 4.03Å
569	V	93	Very high	90.3	Very high	81 Å²	81	43.4 Å²	43.4	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-46.4	179.4	172.8	0	0	0	0	111.7	W565 T566 I567 T573	W565-V569 WeakPolarHBondContact O-CG2 3.17Å; W565-V569 PolarHBondContact O-N 3.43Å; W565-V569 VanDerWaalsContact O-N 3.12Å; T566-V569 PolarHBondContact O-N 2.87Å; I567-V569 PolarHBondContact O-N 3.27Å; V569-T573 HydrophobicContact CG1-CG2 4.46Å; V569-T573 WeakPolarHBondContact O-CB 3.47Å; V569-T573 VanDerWaalsContact O-CG2 3.31Å; V569-T573 WeakPolarHBondContact O-CG2 3.1Å; V569-T573 PolarHBondContact O-N 3.36Å; V569-T573 PolarHBondContact O-OG1 3.39Å
570	L	91.4	Very high	90.1	Very high	56 Å²	56	38 Å²	38	29%	0.293	21%	0.213	S	C	.	.	H	α-helix	trans	-70.1	-41.5	-179.1	-69	177.6	0	0	0	112.4	T566 I567 C574 C814	T566-L570 HydrophobicContact CG2-CD1 3.76Å; T566-L570 HydrophobicContact CG2-CG 4.31Å; T566-L570 WeakPolarHBondContact O-CB 3.44Å; T566-L570 WeakPolarHBondContact O-CG 3.26Å; T566-L570 PolarHBondContact O-N 3.33Å; I567-L570 PolarHBondContact O-N 3.06Å; L570-C574 WeakPolarHBondContact O-CB 3.44Å; L570-C574 PolarHBondContact O-N 3.08Å; L570-C574 PolarHBondContact O-SG 3.29Å; L570-C814 HydrophobicContact CB-CB 3.72Å
571	A	92.1	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-44	177.2	0	0	0	0	0	111.2	I567 N575 C814	I567-A571 WeakPolarHBondContact O-CB 3.32Å; I567-A571 PolarHBondContact O-N 3.47Å; A571-N575 VanDerWaalsContact O-CB 3.23Å; A571-N575 WeakPolarHBondContact O-CB 3.01Å; A571-N575 PolarHBondContact O-N 2.92Å; A571-N575 PolarHBondContact O-ND2 3.09Å; A571-C814 HydrophobicContact CB-CB 4.09Å
572	L	92.7	Very high	89.1	Confident	56 Å²	56	37.2 Å²	37.2	29%	0.293	21%	0.21	S	C	.	.	H	α-helix	trans	-66.6	-50	176.7	-67.5	172	0	0	0	111.5	A568 A576 M604 V608 A611	A568-L572 WeakPolarHBondContact O-CB 3.42Å; A568-L572 WeakPolarHBondContact O-CG 3.49Å; A568-L572 PolarHBondContact O-N 3.37Å; L572-A576 WeakPolarHBondContact O-CB 3.01Å; L572-A576 PolarHBondContact O-N 3.05Å; L572-M604 HydrophobicContact CD2-CG 3.83Å; L572-V608 HydrophobicContact CD2-CG2 3.85Å; L572-A611 HydrophobicContact CD1-CB 4.25Å
573	T	91.9	Very high	88.6	Confident	78 Å²	78	36.7 Å²	36.7	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-71.2	-47	-174.2	54.4	0	0	0	0	113.7	V569 L577	V569-T573 HydrophobicContact CG1-CG2 4.46Å; V569-T573 WeakPolarHBondContact O-CB 3.47Å; V569-T573 VanDerWaalsContact O-CG2 3.31Å; V569-T573 WeakPolarHBondContact O-CG2 3.1Å; V569-T573 PolarHBondContact O-N 3.36Å; V569-T573 PolarHBondContact O-OG1 3.39Å; T573-L577 WeakPolarHBondContact O-CB 3.43Å; T573-L577 PolarHBondContact O-N 3.02Å; T573-L577 VanDerWaalsContact O-N 3.09Å
574	C	90	Very high	87.8	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.081	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-44.2	-178.4	-64.2	0	0	0	0	111.7	L570 L577 V578 P817 I821	L570-C574 WeakPolarHBondContact O-CB 3.44Å; L570-C574 PolarHBondContact O-N 3.08Å; L570-C574 PolarHBondContact O-SG 3.29Å; C574-L577 PolarHBondContact O-N 2.59Å; C574-V578 WeakPolarHBondContact O-CG2 3.36Å; C574-V578 PolarHBondContact O-N 3.22Å; C574-P817 HydrophobicContact CB-CB 4.05Å; C574-P817 HydrophobicContact CB-CG 3.96Å; C574-I821 HydrophobicContact CB-CD1 3.8Å
575	N	89.9	Confident	86.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-36.5	178.8	-69.2	-64.7	0	0	0	112.5	A571 L577 V578 T579 A600 N603 M604 A813 P817	A571-N575 VanDerWaalsContact O-CB 3.23Å; A571-N575 WeakPolarHBondContact O-CB 3.01Å; A571-N575 PolarHBondContact O-N 2.92Å; A571-N575 PolarHBondContact O-ND2 3.09Å; N575-L577 VanDerWaalsContact C-N 3.3Å; N575-L577 PolarHBondContact O-N 2.96Å; N575-V578 PolarHBondContact O-N 2.99Å; N575-T579 VanDerWaalsContact O-CB 3.22Å; N575-T579 WeakPolarHBondContact O-CB 3.3Å; N575-T579 PolarHBondContact O-N 2.64Å; N575-T579 PolarHBondContact O-OG1 3.05Å; N575-A600 HydrophobicContact CB-CB 4.17Å; N575-A600 VanDerWaalsContact CB-O 3.31Å; N575-A600 WeakPolarHBondContact CB-O 3.04Å; N575-A600 WeakPolarHBondContact OD1-CA 3.49Å; N575-N603 WeakPolarHBondContact ND2-CB 3.29Å; N575-M604 HydrophobicContact CB-CB 4.2Å; N575-A813 PolarHBondContact ND2-O 3.05Å; N575-P817 WeakPolarHBondContact OD1-CB 3.45Å; N575-P817 WeakPolarHBondContact OD1-CG 3.43Å
576	A	89.7	Confident	84.7	Confident	45 Å²	45	45.2 Å²	45.2	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-37.7	174	0	0	0	0	0	111.8	L572 S580	L572-A576 WeakPolarHBondContact O-CB 3.01Å; L572-A576 PolarHBondContact O-N 3.05Å; A576-S580 WeakPolarHBondContact O-CB 3.24Å; A576-S580 PolarHBondContact O-N 3.15Å
577	L	86.8	Confident	83.1	Confident	66 Å²	66	48.8 Å²	48.8	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-48.1	175.1	-170.7	69.9	0	0	0	111.8	T573 C574 N575 S580 T581 I821 F827 L831	T573-L577 WeakPolarHBondContact O-CB 3.43Å; T573-L577 PolarHBondContact O-N 3.02Å; T573-L577 VanDerWaalsContact O-N 3.09Å; C574-L577 PolarHBondContact O-N 2.59Å; N575-L577 VanDerWaalsContact C-N 3.3Å; N575-L577 PolarHBondContact O-N 2.96Å; L577-S580 WeakPolarHBondContact O-CB 3.26Å; L577-S580 PolarHBondContact O-N 3.35Å; L577-T581 PolarHBondContact O-N 3.04Å; L577-T581 PolarHBondContact O-OG1 2.89Å; L577-I821 HydrophobicContact CD2-CD1 4.16Å; L577-F827 HydrophobicContact CD2-CE1 4.3Å; L577-F827 HydrophobicContact CD2-CZ 3.79Å; L577-F827 HydrophobicContact CG-CZ 4Å; L577-L831 HydrophobicContact CD1-CD1 4.21Å
578	V	85.3	Confident	81.7	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-49.8	176.7	172.5	0	0	0	0	110.8	C574 N575 S580 T581 V582 I596 A600 P817 Y820 I821 F827	C574-V578 WeakPolarHBondContact O-CG2 3.36Å; C574-V578 PolarHBondContact O-N 3.22Å; N575-V578 PolarHBondContact O-N 2.99Å; V578-S580 VanDerWaalsContact C-N 3.31Å; V578-S580 PolarHBondContact O-N 2.82Å; V578-T581 PolarHBondContact O-N 3Å; V578-T581 VanDerWaalsContact O-N 3.16Å; V578-T581 PolarHBondContact O-OG1 3.2Å; V578-V582 HydrophobicContact CG1-CG2 4.38Å; V578-V582 WeakPolarHBondContact O-CG2 3.25Å; V578-V582 PolarHBondContact O-N 3.48Å; V578-I596 HydrophobicContact CG1-CG2 3.91Å; V578-A600 HydrophobicContact CB-CB 4.15Å; V578-A600 HydrophobicContact CG1-CB 3.89Å; V578-P817 HydrophobicContact CG2-CB 4.18Å; V578-Y820 HydrophobicContact CG1-CD1 4.45Å; V578-Y820 HydrophobicContact CG1-CE1 4.29Å; V578-Y820 HydrophobicContact CG2-CD1 3.99Å; V578-Y820 HydrophobicContact CG2-CE1 4.42Å; V578-I821 HydrophobicContact CG2-CD1 4.05Å; V578-I821 HydrophobicContact CG2-CG1 3.92Å; V578-F827 HydrophobicContact CG2-CE2 4.37Å
579	T	86.4	Confident	80.5	Confident	29 Å²	29	60.2 Å²	60.2	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-54.4	-46.5	175.3	-58.2	0	0	0	0	111.2	N575 V582 F583 A600 V601	N575-T579 VanDerWaalsContact O-CB 3.22Å; N575-T579 WeakPolarHBondContact O-CB 3.3Å; N575-T579 PolarHBondContact O-N 2.64Å; N575-T579 PolarHBondContact O-OG1 3.05Å; T579-V582 PolarHBondContact O-N 3.05Å; T579-F583 HydrophobicContact CG2-CD2 3.74Å; T579-F583 HydrophobicContact CG2-CE2 4.11Å; T579-F583 WeakPolarHBondContact O-CD2 3.35Å; T579-F583 PolarHBondContact O-N 3.42Å; T579-A600 WeakPolarHBondContact OG1-CB 3.27Å; T579-V601 HydrophobicContact CG2-CG2 3.68Å
580	S	82.6	Confident	79.5	Confident	25 Å²	25	58.2 Å²	58.2	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-45.1	177.1	174.6	0	0	0	0	112.6	A576 L577 V578 R584	A576-S580 WeakPolarHBondContact O-CB 3.24Å; A576-S580 PolarHBondContact O-N 3.15Å; L577-S580 WeakPolarHBondContact O-CB 3.26Å; L577-S580 PolarHBondContact O-N 3.35Å; V578-S580 VanDerWaalsContact C-N 3.31Å; V578-S580 PolarHBondContact O-N 2.82Å; S580-R584 WeakPolarHBondContact O-CB 3.4Å; S580-R584 WeakPolarHBondContact O-CG 3.39Å; S580-R584 PolarHBondContact O-N 3.2Å; S580-R584 PolarHBondContact OG-NH1 3.31Å
581	T	79.6	Confident	78.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-39.8	178.8	55.3	0	0	0	0	112.9	L577 V578 S585 F827 L831 L834	L577-T581 PolarHBondContact O-N 3.04Å; L577-T581 PolarHBondContact O-OG1 2.89Å; V578-T581 PolarHBondContact O-N 3Å; V578-T581 VanDerWaalsContact O-N 3.16Å; V578-T581 PolarHBondContact O-OG1 3.2Å; T581-S585 PolarHBondContact O-OG 3.32Å; T581-F827 HydrophobicContact CG2-CE2 3.69Å; T581-F827 HydrophobicContact CG2-CZ 4.06Å; T581-F827 WeakPolarHBondContact OG1-CE2 3.49Å; T581-L831 HydrophobicContact CG2-CD1 4.34Å; T581-L834 HydrophobicContact CG2-CD1 4.15Å
582	V	78.4	Confident	77.6	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-48.4	179.9	170.1	0	0	0	0	111.4	V578 T579 K593	V578-V582 HydrophobicContact CG1-CG2 4.38Å; V578-V582 WeakPolarHBondContact O-CG2 3.25Å; V578-V582 PolarHBondContact O-N 3.48Å; T579-V582 PolarHBondContact O-N 3.05Å; V582-K593 VanDerWaalsContact CG1-O 3.24Å; V582-K593 WeakPolarHBondContact CG1-O 3.24Å
583	F	80.1	Confident	76.8	Confident	91 Å²	91	59.8 Å²	59.8	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-96.1	-11.4	-169.5	-64	-67.3	0	0	0	115.4	T579 I589 L594 V601	T579-F583 HydrophobicContact CG2-CD2 3.74Å; T579-F583 HydrophobicContact CG2-CE2 4.11Å; T579-F583 WeakPolarHBondContact O-CD2 3.35Å; T579-F583 PolarHBondContact O-N 3.42Å; F583-I589 HydrophobicContact CD1-CD1 4.33Å; F583-L594 HydrophobicContact CE1-CD1 4.14Å; F583-L594 HydrophobicContact CZ-CD1 4.46Å; F583-V601 HydrophobicContact CE2-CG2 4.35Å
584	R	73.6	Confident	76.4	Confident	171 Å²	171	57.2 Å²	57.2	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-83.4	-16	170.1	-74.3	-174.4	156.3	124.3	-7.2	114.2	S580 P586 L834	S580-R584 WeakPolarHBondContact O-CB 3.4Å; S580-R584 WeakPolarHBondContact O-CG 3.39Å; S580-R584 PolarHBondContact O-N 3.2Å; S580-R584 PolarHBondContact OG-NH1 3.31Å; R584-P586 WeakPolarHBondContact O-CD 3.39Å; R584-L834 HydrophobicContact CB-CD1 4.39Å
585	S	63.3	Low	76	Confident	32 Å²	32	56.8 Å²	56.8	22%	0.224	29%	0.292	C	S	.	.			trans	-73.1	116	-176.6	-66.4	0	0	0	0	110.9	T581 L587	T581-S585 PolarHBondContact O-OG 3.32Å; S585-L587 PolarHBondContact O-N 2.66Å
586	P	55.7	Low	75.6	Confident	119 Å²	119	58.9 Å²	58.9	77%	0.773	30%	0.303	S	S	*	.			trans	-81.4	22.5	-170.7	35.2	-38.2	0	0	0	114.1	R584	R584-P586 WeakPolarHBondContact O-CD 3.39Å
587	L	58.7	Low	75.3	Confident	146 Å²	146	56.8 Å²	56.8	76%	0.764	29%	0.285	S	S	*	.	S	Bend	trans	-116.8	160	-177	-69.9	172.1	0	0	0	110.7	S585 I589	S585-L587 PolarHBondContact O-N 2.66Å; L587-I589 PolarHBondContact O-N 2.85Å
588	Y	61.7	Low	75.4	Confident	195 Å²	195	55.3 Å²	55.3	77%	0.765	28%	0.279	S	S	*	.			trans	-44.3	110.3	-174.6	-179.5	-91.8	0	0	0	113.3	S590	Y588-S590 PolarHBondContact O-N 3.1Å
589	I	67.4	Low	75.5	Confident	55 Å²	55	56 Å²	56	28%	0.282	28%	0.282	S	S	.	.			trans	-74.3	112.7	-179.7	-56	178.6	0	0	0	108.9	F583 L587 K593 L594	F583-I589 HydrophobicContact CD1-CD1 4.33Å; L587-I589 PolarHBondContact O-N 2.85Å; I589-K593 HydrophobicContact CG2-CB 4.15Å; I589-L594 HydrophobicContact CG2-CB 3.88Å
590	S	71.8	Confident	75.6	Confident	39 Å²	39	54.8 Å²	54.8	27%	0.273	28%	0.275	S	S	.	.			trans	-67.7	154.5	175.6	69.5	0	0	0	0	111.9	Y588 I592 K593 L594	Y588-S590 PolarHBondContact O-N 3.1Å; S590-I592 PolarHBondContact O-N 2.71Å; S590-I592 VanDerWaalsContact O-N 3.16Å; S590-K593 PolarHBondContact O-N 3.49Å; S590-K593 PolarHBondContact OG-N 3.12Å; S590-L594 PolarHBondContact O-N 3.29Å
591	P	72.8	Confident	76	Confident	37 Å²	37	56.4 Å²	56.4	24%	0.24	28%	0.284	C	S	.	.	H	α-helix	trans	-46.1	-45.6	176.7	-32	37.2	0	0	0	113.8	L594 L595 E661 F678 L681	P591-L594 WeakPolarHBondContact O-CB 3.48Å; P591-L594 PolarHBondContact O-N 2.9Å; P591-L595 PolarHBondContact O-N 3.21Å; P591-E661 WeakPolarHBondContact CB-OE1 3.46Å; P591-F678 HydrophobicContact CG-CD2 4.11Å; P591-F678 HydrophobicContact CG-CE2 4.48Å; P591-L681 HydrophobicContact CB-CD2 3.68Å
592	I	72.2	Confident	76.6	Confident	45 Å²	45	57 Å²	57	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-70.1	-42.4	179.9	-62	130.1	0	0	0	112.3	S590 L594 L595 I596 E661	S590-I592 PolarHBondContact O-N 2.71Å; S590-I592 VanDerWaalsContact O-N 3.16Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 3.36Å; I592-L595 PolarHBondContact O-N 2.98Å; I592-I596 HydrophobicContact CG2-CD1 3.76Å; I592-I596 HydrophobicContact CG2-CG1 4.44Å; I592-I596 VanDerWaalsContact O-CG1 3.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.05Å; I592-I596 PolarHBondContact O-N 2.69Å; I592-E661 WeakPolarHBondContact CG1-OE2 3.45Å
593	K	76	Confident	77.1	Confident	62 Å²	62	57 Å²	57	27%	0.27	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-39.3	175.8	-79.7	-157.8	-178	-166.1	0	110.4	V582 I589 S590 G597 D830	V582-K593 VanDerWaalsContact CG1-O 3.24Å; V582-K593 WeakPolarHBondContact CG1-O 3.24Å; I589-K593 HydrophobicContact CG2-CB 4.15Å; S590-K593 PolarHBondContact O-N 3.49Å; S590-K593 PolarHBondContact OG-N 3.12Å; K593-G597 PolarHBondContact O-N 3.45Å; K593-D830 VanDerWaalsContact NZ-CG 3.3Å; K593-D830 IonicContact NZ-OD1 2.75Å; K593-D830 PolarHBondContact NZ-OD1 3.27Å; K593-D830 VanDerWaalsContact NZ-OD1 3.14Å; K593-D830 IonicContact NZ-OD2 3.14Å; K593-D830 PolarHBondContact NZ-OD2 3.41Å
594	L	82.5	Confident	77.7	Confident	25 Å²	25	55.6 Å²	55.6	13%	0.131	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-50	173.5	177.3	63.2	0	0	0	111.5	F583 I589 S590 P591 I592 I596 G597 V598 F678 K682	F583-L594 HydrophobicContact CE1-CD1 4.14Å; F583-L594 HydrophobicContact CZ-CD1 4.46Å; I589-L594 HydrophobicContact CG2-CB 3.88Å; S590-L594 PolarHBondContact O-N 3.29Å; P591-L594 WeakPolarHBondContact O-CB 3.48Å; P591-L594 PolarHBondContact O-N 2.9Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 3.36Å; L594-I596 PolarHBondContact O-N 3.39Å; L594-G597 PolarHBondContact O-N 3Å; L594-V598 HydrophobicContact CD1-CG2 4.25Å; L594-V598 WeakPolarHBondContact O-CG2 3.35Å; L594-V598 PolarHBondContact O-N 2.87Å; L594-F678 HydrophobicContact CD2-CE2 3.88Å; L594-F678 HydrophobicContact CD2-CZ 4.02Å; L594-K682 HydrophobicContact CD2-CG 4.2Å
595	L	81.1	Confident	78.6	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-41.8	-177	-173.8	51.3	0	0	0	112.5	P591 I592 G597 V598 I599 L654 L657 A658 I685	P591-L595 PolarHBondContact O-N 3.21Å; I592-L595 PolarHBondContact O-N 2.98Å; L595-G597 VanDerWaalsContact C-N 3.33Å; L595-G597 PolarHBondContact O-N 3.39Å; L595-V598 PolarHBondContact O-N 3.33Å; L595-I599 HydrophobicContact CD1-CD1 4.33Å; L595-I599 HydrophobicContact CG-CD1 4.18Å; L595-I599 VanDerWaalsContact O-CG1 3.3Å; L595-I599 WeakPolarHBondContact O-CG1 3.2Å; L595-I599 PolarHBondContact O-N 2.9Å; L595-L654 HydrophobicContact CD1-CB 4.07Å; L595-L654 HydrophobicContact CD1-CD2 3.67Å; L595-L654 HydrophobicContact CD1-CG 4.44Å; L595-L657 HydrophobicContact CD1-CD2 4.39Å; L595-L657 HydrophobicContact CD2-CG 4.3Å; L595-A658 HydrophobicContact CD2-CB 3.61Å; L595-A658 HydrophobicContact CG-CB 4.29Å; L595-I685 HydrophobicContact CD1-CD1 4.2Å; L595-I685 HydrophobicContact CD1-CG1 4.34Å
596	I	82.3	Confident	79.9	Confident	45 Å²	45	48.6 Å²	48.6	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-41.5	172.8	-67.1	166.6	0	0	0	111.1	V578 I592 L594 I599 A600 Y820	V578-I596 HydrophobicContact CG1-CG2 3.91Å; I592-I596 HydrophobicContact CG2-CD1 3.76Å; I592-I596 HydrophobicContact CG2-CG1 4.44Å; I592-I596 VanDerWaalsContact O-CG1 3.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.05Å; I592-I596 PolarHBondContact O-N 2.69Å; L594-I596 PolarHBondContact O-N 3.39Å; I596-I599 PolarHBondContact O-N 2.99Å; I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 3.45Å; I596-Y820 HydrophobicContact CD1-CE2 3.83Å; I596-Y820 HydrophobicContact CG2-CE1 4.34Å; I596-Y820 HydrophobicContact CG2-CE2 4.33Å
597	G	83.1	Confident	81.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-42.1	175.7	0	0	0	0	0	113.3	K593 L594 L595 A600 V601	K593-G597 PolarHBondContact O-N 3.45Å; L594-G597 PolarHBondContact O-N 3Å; L595-G597 VanDerWaalsContact C-N 3.33Å; L595-G597 PolarHBondContact O-N 3.39Å; G597-A600 PolarHBondContact O-N 2.91Å; G597-V601 WeakPolarHBondContact O-CG2 3.03Å; G597-V601 PolarHBondContact O-N 3.38Å
598	V	87.9	Confident	83.4	Confident	36 Å²	36	38.6 Å²	38.6	22%	0.218	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-40.8	177.7	-179.9	0	0	0	0	111.3	L594 L595 A600 V601 V602 L654 I685	L594-V598 HydrophobicContact CD1-CG2 4.25Å; L594-V598 WeakPolarHBondContact O-CG2 3.35Å; L594-V598 PolarHBondContact O-N 2.87Å; L595-V598 PolarHBondContact O-N 3.33Å; V598-A600 VanDerWaalsContact C-N 3.28Å; V598-A600 PolarHBondContact O-N 3.33Å; V598-V601 PolarHBondContact O-N 3.44Å; V598-V602 HydrophobicContact CG1-CG2 4.5Å; V598-V602 WeakPolarHBondContact O-CG2 3.29Å; V598-V602 PolarHBondContact O-N 3.37Å; V598-L654 HydrophobicContact CG1-CD1 3.74Å; V598-L654 HydrophobicContact CG1-CD2 4.41Å; V598-I685 HydrophobicContact CG1-CG2 4.33Å
599	I	88.2	Confident	84.8	Confident	17 Å²	17	29.4 Å²	29.4	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-42	172.9	-70.2	164.9	0	0	0	110.8	L595 I596 V602 N603 L654 L655	L595-I599 HydrophobicContact CD1-CD1 4.33Å; L595-I599 HydrophobicContact CG-CD1 4.18Å; L595-I599 VanDerWaalsContact O-CG1 3.3Å; L595-I599 WeakPolarHBondContact O-CG1 3.2Å; L595-I599 PolarHBondContact O-N 2.9Å; I596-I599 PolarHBondContact O-N 2.99Å; I599-V602 PolarHBondContact O-N 3.03Å; I599-N603 WeakPolarHBondContact CG2-ND2 3.41Å; I599-N603 WeakPolarHBondContact O-CB 3.46Å; I599-N603 VanDerWaalsContact O-CG 3.28Å; I599-N603 PolarHBondContact O-N 3.11Å; I599-N603 PolarHBondContact O-ND2 2.78Å; I599-L654 HydrophobicContact CD1-CB 4.05Å; I599-L654 HydrophobicContact CG1-CB 3.5Å; I599-L654 HydrophobicContact CG1-CD1 4.17Å; I599-L654 HydrophobicContact CG1-CG 4.45Å; I599-L655 HydrophobicContact CD1-CD2 4.2Å; I599-L655 HydrophobicContact CD1-CG 4.46Å
600	A	88.8	Confident	86	Confident	2 Å²	2	27.2 Å²	27.2	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-44.8	177	0	0	0	0	0	112.3	N575 V578 T579 I596 G597 V598 V602 N603 M604	N575-A600 HydrophobicContact CB-CB 4.17Å; N575-A600 VanDerWaalsContact CB-O 3.31Å; N575-A600 WeakPolarHBondContact CB-O 3.04Å; N575-A600 WeakPolarHBondContact OD1-CA 3.49Å; V578-A600 HydrophobicContact CB-CB 4.15Å; V578-A600 HydrophobicContact CG1-CB 3.89Å; T579-A600 WeakPolarHBondContact OG1-CB 3.27Å; I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 3.45Å; G597-A600 PolarHBondContact O-N 2.91Å; V598-A600 VanDerWaalsContact C-N 3.28Å; V598-A600 PolarHBondContact O-N 3.33Å; A600-V602 VanDerWaalsContact C-N 3.3Å; A600-V602 PolarHBondContact O-N 3.3Å; A600-N603 PolarHBondContact O-N 2.88Å; A600-M604 PolarHBondContact O-N 3.07Å
601	V	90.9	Very high	87	Confident	60 Å²	60	27 Å²	27	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-58.2	-42.8	175.1	170	0	0	0	0	111.5	T579 F583 G597 V598 M604	T579-V601 HydrophobicContact CG2-CG2 3.68Å; F583-V601 HydrophobicContact CE2-CG2 4.35Å; G597-V601 WeakPolarHBondContact O-CG2 3.03Å; G597-V601 PolarHBondContact O-N 3.38Å; V598-V601 PolarHBondContact O-N 3.44Å; V601-M604 WeakPolarHBondContact O-CB 3.5Å; V601-M604 PolarHBondContact O-N 3.38Å
602	V	91.7	Very high	88	Confident	13 Å²	13	27.8 Å²	27.8	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-48.6	177.9	169.2	0	0	0	0	111.7	V598 I599 A600 M604 L605 A647 L654	V598-V602 HydrophobicContact CG1-CG2 4.5Å; V598-V602 WeakPolarHBondContact O-CG2 3.29Å; V598-V602 PolarHBondContact O-N 3.37Å; I599-V602 PolarHBondContact O-N 3.03Å; A600-V602 VanDerWaalsContact C-N 3.3Å; A600-V602 PolarHBondContact O-N 3.3Å; V602-M604 PolarHBondContact O-N 3.25Å; V602-L605 VanDerWaalsContact O-CB 3.26Å; V602-L605 WeakPolarHBondContact O-CB 3.01Å; V602-L605 PolarHBondContact O-N 3.21Å; V602-A647 HydrophobicContact CG1-CB 4.47Å; V602-A647 WeakPolarHBondContact CG1-O 3.49Å; V602-L654 HydrophobicContact CG2-CD1 3.97Å
603	N	90.5	Very high	89	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-26.4	177.8	-73.5	-20.5	0	0	0	113.1	N575 I599 A600 L605 T606 G607 S651 A813	N575-N603 WeakPolarHBondContact ND2-CB 3.29Å; I599-N603 WeakPolarHBondContact CG2-ND2 3.41Å; I599-N603 WeakPolarHBondContact O-CB 3.46Å; I599-N603 VanDerWaalsContact O-CG 3.28Å; I599-N603 PolarHBondContact O-N 3.11Å; I599-N603 PolarHBondContact O-ND2 2.78Å; A600-N603 PolarHBondContact O-N 2.88Å; N603-L605 PolarHBondContact O-N 3.41Å; N603-T606 WeakPolarHBondContact O-CB 3.34Å; N603-T606 PolarHBondContact O-N 2.98Å; N603-G607 PolarHBondContact O-N 3.45Å; N603-G607 VanDerWaalsContact O-N 3.15Å; N603-S651 WeakPolarHBondContact OD1-CB 3.5Å; N603-S651 PolarHBondContact OD1-OG 3.14Å; N603-A813 HydrophobicContact CB-CB 3.93Å
604	M	92	Very high	89.7	Confident	63 Å²	63	23.2 Å²	23.2	31%	0.31	14%	0.136	S	C	.	.	H	α-helix	trans	-63.4	-31.8	172.2	-164.1	-177.3	72.3	0	0	111.7	L572 N575 A600 V601 V602 G607 V608	L572-M604 HydrophobicContact CD2-CG 3.83Å; N575-M604 HydrophobicContact CB-CB 4.2Å; A600-M604 PolarHBondContact O-N 3.07Å; V601-M604 WeakPolarHBondContact O-CB 3.5Å; V601-M604 PolarHBondContact O-N 3.38Å; V602-M604 PolarHBondContact O-N 3.25Å; M604-G607 CarbonylContact O-C 3.59Å; M604-G607 WeakPolarHBondContact O-CA 3.41Å; M604-G607 PolarHBondContact O-N 2.96Å; M604-G607 VanDerWaalsContact O-N 3.14Å; M604-V608 WeakPolarHBondContact O-CG2 3.48Å; M604-V608 PolarHBondContact O-N 3.5Å
605	L	92.8	Very high	90.2	Very high	44 Å²	44	22.8 Å²	22.8	23%	0.23	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-37.7	175.9	-54.3	-179.5	0	0	0	111.9	V602 N603 G607 V608 S609 L643 F646 A647	V602-L605 VanDerWaalsContact O-CB 3.26Å; V602-L605 WeakPolarHBondContact O-CB 3.01Å; V602-L605 PolarHBondContact O-N 3.21Å; N603-L605 PolarHBondContact O-N 3.41Å; L605-G607 PolarHBondContact O-N 3.34Å; L605-V608 WeakPolarHBondContact O-CB 3.41Å; L605-V608 PolarHBondContact O-N 3.32Å; L605-V608 VanDerWaalsContact O-N 3.08Å; L605-S609 PolarHBondContact O-N 3.06Å; L605-L643 HydrophobicContact CB-CD1 3.95Å; L605-L643 HydrophobicContact CB-CG 4.27Å; L605-L643 HydrophobicContact CD1-CD1 4.05Å; L605-L643 HydrophobicContact CD2-CD1 4.3Å; L605-L643 HydrophobicContact CG-CD1 4.31Å; L605-F646 HydrophobicContact CD1-CD1 4.17Å; L605-F646 HydrophobicContact CD1-CE1 4.09Å; L605-A647 HydrophobicContact CB-CB 3.88Å
606	T	90.6	Very high	90.7	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-34.5	169.2	-40.6	0	0	0	0	111.6	N603 S609 S610 A647 P810 A813	N603-T606 WeakPolarHBondContact O-CB 3.34Å; N603-T606 PolarHBondContact O-N 2.98Å; T606-S609 PolarHBondContact O-OG 3.28Å; T606-S609 VanDerWaalsContact O-OG 3.08Å; T606-S610 WeakPolarHBondContact O-CB 3.29Å; T606-S610 PolarHBondContact O-N 3.41Å; T606-S610 VanDerWaalsContact O-N 3.13Å; T606-S610 PolarHBondContact O-OG 3.46Å; T606-A647 WeakPolarHBondContact OG1-CB 3.35Å; T606-P810 HydrophobicContact CG2-CB 3.78Å; T606-A813 HydrophobicContact CG2-CB 4.07Å
607	G	92.6	Very high	91.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-39.9	170.5	0	0	0	0	0	112.9	N603 M604 L605 A611	N603-G607 PolarHBondContact O-N 3.45Å; N603-G607 VanDerWaalsContact O-N 3.15Å; M604-G607 CarbonylContact O-C 3.59Å; M604-G607 WeakPolarHBondContact O-CA 3.41Å; M604-G607 PolarHBondContact O-N 2.96Å; M604-G607 VanDerWaalsContact O-N 3.14Å; L605-G607 PolarHBondContact O-N 3.34Å; G607-A611 VanDerWaalsContact O-CB 3.26Å; G607-A611 WeakPolarHBondContact O-CB 3.17Å; G607-A611 PolarHBondContact O-N 2.91Å
608	V	93.7	Very high	91.6	Very high	55 Å²	55	24.2 Å²	24.2	33%	0.333	15%	0.154	S	C	.	.	H	α-helix	trans	-67	-46.5	175.9	174.5	0	0	0	0	111.8	L572 M604 L605 S610 A611 V612 L643	L572-V608 HydrophobicContact CD2-CG2 3.85Å; M604-V608 WeakPolarHBondContact O-CG2 3.48Å; M604-V608 PolarHBondContact O-N 3.5Å; L605-V608 WeakPolarHBondContact O-CB 3.41Å; L605-V608 PolarHBondContact O-N 3.32Å; L605-V608 VanDerWaalsContact O-N 3.08Å; V608-S610 VanDerWaalsContact C-N 3.34Å; V608-S610 PolarHBondContact O-N 3.2Å; V608-A611 PolarHBondContact O-N 3.31Å; V608-V612 WeakPolarHBondContact O-CG2 3.3Å; V608-V612 PolarHBondContact O-N 3.47Å; V608-L643 HydrophobicContact CB-CD2 4.32Å; V608-L643 HydrophobicContact CG1-CD2 4.03Å
609	S	92.1	Very high	91.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-44.3	178	60.4	0	0	0	0	111.6	L605 T606 A611 V612 L613	L605-S609 PolarHBondContact O-N 3.06Å; T606-S609 PolarHBondContact O-OG 3.28Å; T606-S609 VanDerWaalsContact O-OG 3.08Å; S609-A611 PolarHBondContact O-N 3.08Å; S609-V612 PolarHBondContact O-N 3.44Å; S609-L613 PolarHBondContact O-N 2.94Å; S609-L613 VanDerWaalsContact O-N 3.13Å
610	S	92.4	Very high	91.9	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-43	174.6	-55	0	0	0	0	112.5	V564 T606 V608 V612 L613 A614	V564-S610 WeakPolarHBondContact CG1-O 3.4Å; T606-S610 WeakPolarHBondContact O-CB 3.29Å; T606-S610 PolarHBondContact O-N 3.41Å; T606-S610 VanDerWaalsContact O-N 3.13Å; T606-S610 PolarHBondContact O-OG 3.46Å; V608-S610 VanDerWaalsContact C-N 3.34Å; V608-S610 PolarHBondContact O-N 3.2Å; S610-V612 PolarHBondContact O-N 2.9Å; S610-L613 PolarHBondContact O-N 3.49Å; S610-A614 WeakPolarHBondContact O-CB 3.44Å; S610-A614 PolarHBondContact O-N 3.14Å
611	A	93.4	Very high	91.9	Very high	35 Å²	35	36 Å²	36	29%	0.289	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-37.4	178.6	0	0	0	0	0	112.8	A568 L572 G607 V608 S609 G615	A568-A611 HydrophobicContact CB-CB 4.03Å; L572-A611 HydrophobicContact CD1-CB 4.25Å; G607-A611 VanDerWaalsContact O-CB 3.26Å; G607-A611 WeakPolarHBondContact O-CB 3.17Å; G607-A611 PolarHBondContact O-N 2.91Å; V608-A611 PolarHBondContact O-N 3.31Å; S609-A611 PolarHBondContact O-N 3.08Å; A611-G615 PolarHBondContact O-N 2.88Å
612	V	93.9	Very high	91.7	Very high	53 Å²	53	34.7 Å²	34.7	32%	0.321	20%	0.201	S	C	.	.	H	α-helix	trans	-70.4	-43	177.7	174	0	0	0	0	111.2	V608 S609 S610 A614 G615 V616 W631 I640	V608-V612 WeakPolarHBondContact O-CG2 3.3Å; V608-V612 PolarHBondContact O-N 3.47Å; S609-V612 PolarHBondContact O-N 3.44Å; S610-V612 PolarHBondContact O-N 2.9Å; V612-A614 VanDerWaalsContact C-N 3.34Å; V612-A614 PolarHBondContact O-N 3.22Å; V612-G615 PolarHBondContact O-N 3.36Å; V612-G615 VanDerWaalsContact O-N 3.14Å; V612-V616 HydrophobicContact CG1-CG2 4.45Å; V612-V616 WeakPolarHBondContact O-CG2 3.39Å; V612-V616 PolarHBondContact O-N 2.84Å; V612-W631 HydrophobicContact CG1-CH2 4.09Å; V612-I640 HydrophobicContact CB-CD1 3.67Å; V612-I640 HydrophobicContact CB-CG1 4.24Å; V612-I640 HydrophobicContact CG1-CD1 3.74Å; V612-I640 HydrophobicContact CG1-CG1 3.82Å; V612-I640 HydrophobicContact CG2-CD1 3.87Å
613	L	91.9	Very high	91.4	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-41.4	174.8	-70	174.2	0	0	0	112.2	S609 S610 G615 V616 D617 W631 I640 L806	S609-L613 PolarHBondContact O-N 2.94Å; S609-L613 VanDerWaalsContact O-N 3.13Å; S610-L613 PolarHBondContact O-N 3.49Å; L613-G615 VanDerWaalsContact C-N 3.33Å; L613-G615 PolarHBondContact O-N 3.45Å; L613-V616 PolarHBondContact O-N 3.44Å; L613-D617 PolarHBondContact O-N 2.96Å; L613-D617 VanDerWaalsContact O-N 3.1Å; L613-W631 HydrophobicContact CD2-CZ2 4.14Å; L613-I640 HydrophobicContact CD2-CG2 4.36Å; L613-I640 HydrophobicContact CG-CG2 4.18Å; L613-L806 HydrophobicContact CD1-CD2 4.25Å
614	A	92.3	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-37.6	173.2	0	0	0	0	0	112.7	V564 W565 S610 V612 A618	V564-A614 HydrophobicContact CG1-CB 4.06Å; W565-A614 HydrophobicContact CD2-CB 4.1Å; W565-A614 HydrophobicContact CG-CB 4.31Å; W565-A614 HydrophobicContact CZ2-CB 4.18Å; S610-A614 WeakPolarHBondContact O-CB 3.44Å; S610-A614 PolarHBondContact O-N 3.14Å; V612-A614 VanDerWaalsContact C-N 3.34Å; V612-A614 PolarHBondContact O-N 3.22Å; A614-A618 WeakPolarHBondContact O-CB 3.38Å; A614-A618 PolarHBondContact O-N 3.04Å
615	G	92.5	Very high	91.1	Very high	16 Å²	16	34.1 Å²	34.1	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-46.5	173	0	0	0	0	0	112.7	A611 V612 L613 A618 F619	A611-G615 PolarHBondContact O-N 2.88Å; V612-G615 PolarHBondContact O-N 3.36Å; V612-G615 VanDerWaalsContact O-N 3.14Å; L613-G615 VanDerWaalsContact C-N 3.33Å; L613-G615 PolarHBondContact O-N 3.45Å; G615-A618 PolarHBondContact O-N 3.48Å; G615-F619 WeakPolarHBondContact O-CD2 3.36Å; G615-F619 PolarHBondContact O-N 3.5Å
616	V	92.2	Very high	90.8	Very high	21 Å²	21	40.9 Å²	40.9	13%	0.127	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-47.2	178.8	173.9	0	0	0	0	111.2	L554 V612 L613 A618 F619 T620 F624 W631	L554-V616 HydrophobicContact CD2-CB 4.19Å; L554-V616 HydrophobicContact CD2-CG1 3.82Å; V612-V616 HydrophobicContact CG1-CG2 4.45Å; V612-V616 WeakPolarHBondContact O-CG2 3.39Å; V612-V616 PolarHBondContact O-N 2.84Å; L613-V616 PolarHBondContact O-N 3.44Å; V616-A618 VanDerWaalsContact C-N 3.25Å; V616-A618 PolarHBondContact O-N 3.13Å; V616-F619 PolarHBondContact O-N 3.18Å; V616-T620 HydrophobicContact CG1-CG2 4.31Å; V616-T620 WeakPolarHBondContact O-CB 3.16Å; V616-T620 WeakPolarHBondContact O-CG2 3.41Å; V616-T620 PolarHBondContact O-N 2.04Å; V616-T620 PolarHBondContact O-OG1 3.22Å; V616-F624 HydrophobicContact CG1-CE2 4.39Å; V616-W631 HydrophobicContact CG1-CD2 4.27Å; V616-W631 HydrophobicContact CG1-CG 4.5Å; V616-W631 HydrophobicContact CG2-CD2 4.34Å; V616-W631 HydrophobicContact CG2-CE3 4.12Å; V616-W631 HydrophobicContact CG2-CH2 3.82Å; V616-W631 HydrophobicContact CG2-CZ2 4.03Å; V616-W631 HydrophobicContact CG2-CZ3 3.85Å
617	D	92.2	Very high	90.7	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-34.3	176.5	-178	73	0	0	0	112.6	L554 L555 R561 L613 F621	L554-D617 HydrophobicContact CB-CB 4.03Å; L554-D617 HydrophobicContact CD2-CB 4.46Å; L554-D617 PolarHBondContact N-OD1 3.41Å; L555-D617 HydrophobicContact CD1-CB 3.75Å; L555-D617 HydrophobicContact CG-CB 3.79Å; L555-D617 PolarHBondContact N-OD1 2.93Å; L555-D617 VanDerWaalsContact N-OD1 3.1Å; R561-D617 IonicContact CZ-OD1 3.56Å; R561-D617 IonicContact CZ-OD2 3.95Å; R561-D617 VanDerWaalsContact CZ-OD2 3.31Å; R561-D617 IonicContact NE-OD1 3.93Å; R561-D617 IonicContact NE-OD2 2.67Å; R561-D617 PolarHBondContact NE-OD2 3.41Å; R561-D617 IonicContact NH2-OD1 2.7Å; R561-D617 PolarHBondContact NH2-OD1 3.05Å; R561-D617 IonicContact NH2-OD2 3.11Å; R561-D617 PolarHBondContact NH2-OD2 2.97Å; L613-D617 PolarHBondContact O-N 2.96Å; L613-D617 VanDerWaalsContact O-N 3.1Å; D617-F621 WeakPolarHBondContact O-CA 3.43Å; D617-F621 PolarHBondContact O-N 2.85Å
618	A	91.3	Very high	90.4	Very high	54 Å²	54	44 Å²	44	45%	0.446	24%	0.24	S	C	.	.	H	α-helix	trans	-73.5	-39.8	175.1	0	0	0	0	0	113.3	W565 A614 G615 V616	W565-A618 HydrophobicContact CZ2-CB 4.3Å; A614-A618 WeakPolarHBondContact O-CB 3.38Å; A614-A618 PolarHBondContact O-N 3.04Å; G615-A618 PolarHBondContact O-N 3.48Å; V616-A618 VanDerWaalsContact C-N 3.25Å; V616-A618 PolarHBondContact O-N 3.13Å
619	F	91.8	Very high	90.1	Very high	189 Å²	189	41.5 Å²	41.5	83%	0.829	23%	0.226	S	C	*	.	H	α-helix	trans	-72.7	-26.8	177.7	-73.3	-58.5	0	0	0	113.5	G615 V616	G615-F619 WeakPolarHBondContact O-CD2 3.36Å; G615-F619 PolarHBondContact O-N 3.5Å; V616-F619 PolarHBondContact O-N 3.18Å
620	T	91.2	Very high	89.9	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.074	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	11.1	-176.4	59.6	0	0	0	0	113.6	V616 G622 S623 F624 H627	V616-T620 HydrophobicContact CG1-CG2 4.31Å; V616-T620 WeakPolarHBondContact O-CB 3.16Å; V616-T620 WeakPolarHBondContact O-CG2 3.41Å; V616-T620 PolarHBondContact O-N 2.04Å; V616-T620 PolarHBondContact O-OG1 3.22Å; T620-G622 PolarHBondContact O-N 3.47Å; T620-S623 CarbonylContact O-C 3.32Å; T620-S623 PolarHBondContact O-N 3.34Å; T620-F624 HydrophobicContact CG2-CD2 4.26Å; T620-F624 PolarHBondContact O-N 3.03Å; T620-F624 VanDerWaalsContact O-N 3.14Å; T620-F624 WeakPolarHBondContact OG1-CD2 3.33Å; T620-H627 HydrophobicContact CG2-CB 3.8Å
621	F	89.1	Confident	89.8	Confident	101 Å²	101	51.2 Å²	51.2	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	121.3	-172.1	-166.4	-76.6	0	0	0	112.5	H553 R561 D617 S623	H553-F621 AromaticContact CE1-CD1 3.82Å; H553-F621 AromaticContact CE1-CE1 3.53Å; H553-F621 AromaticContact CE1-CZ 3.7Å; H553-F621 AromaticContact NE2-CZ 3.81Å; R561-F621 VanDerWaalsContact CZ-CE2 3.4Å; R561-F621 VanDerWaalsContact NH1-CE2 3.26Å; D617-F621 WeakPolarHBondContact O-CA 3.43Å; D617-F621 PolarHBondContact O-N 2.85Å; F621-S623 VanDerWaalsContact C-N 3.28Å; F621-S623 PolarHBondContact O-N 3.18Å
622	G	84.8	Confident	89.5	Confident	32 Å²	32	50 Å²	50	33%	0.33	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	11.5	-179.8	0	0	0	0	0	114.1	E552 H553 T620	E552-G622 CarbonylContact O-C 3.28Å; E552-G622 WeakPolarHBondContact O-CA 3.08Å; E552-G622 PolarHBondContact O-N 3.23Å; H553-G622 PolarHBondContact ND1-N 2.79Å; T620-G622 PolarHBondContact O-N 3.47Å
623	S	87.3	Confident	89	Confident	51 Å²	51	50.2 Å²	50.2	36%	0.357	25%	0.249	S	C	.	.			trans	-156	30	-179.5	59.7	0	0	0	0	113.4	E552 T620 F621 A625 R626 H627	E552-S623 PolarHBondContact O-N 3.2Å; T620-S623 CarbonylContact O-C 3.32Å; T620-S623 PolarHBondContact O-N 3.34Å; F621-S623 VanDerWaalsContact C-N 3.28Å; F621-S623 PolarHBondContact O-N 3.18Å; S623-A625 PolarHBondContact O-N 3.22Å; S623-R626 PolarHBondContact O-N 3.12Å; S623-H627 PolarHBondContact O-ND1 3.37Å; S623-H627 VanDerWaalsContact O-ND1 3.1Å
624	F	89.1	Confident	88.8	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.018	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-58.1	-36.1	-177.1	-174.6	-103.7	0	0	0	112.7	P550 C551 L554 V616 T620 R626 H627 G628 P710	P550-F624 HydrophobicContact CG-CD1 4.31Å; P550-F624 WeakPolarHBondContact O-CD1 3.21Å; C551-F624 PolarHBondContact O-N 3.39Å; C551-F624 VanDerWaalsContact O-N 3.16Å; L554-F624 HydrophobicContact CB-CD2 4.07Å; L554-F624 HydrophobicContact CB-CE2 4.22Å; L554-F624 HydrophobicContact CB-CG 4.44Å; L554-F624 HydrophobicContact CD1-CE1 4.25Å; L554-F624 HydrophobicContact CD1-CE2 4.07Å; L554-F624 HydrophobicContact CD1-CZ 3.86Å; L554-F624 HydrophobicContact CD2-CE2 4.37Å; L554-F624 HydrophobicContact CG-CE2 4.46Å; V616-F624 HydrophobicContact CG1-CE2 4.39Å; T620-F624 HydrophobicContact CG2-CD2 4.26Å; T620-F624 PolarHBondContact O-N 3.03Å; T620-F624 VanDerWaalsContact O-N 3.14Å; T620-F624 WeakPolarHBondContact OG1-CD2 3.33Å; F624-R626 PolarHBondContact O-N 3.45Å; F624-H627 CarbonylContact O-C 3.46Å; F624-H627 PolarHBondContact O-N 2.87Å; F624-G628 VanDerWaalsContact CZ-CA 3.48Å; F624-G628 PolarHBondContact O-N 2.9Å; F624-P710 HydrophobicContact CE1-CB 3.81Å; F624-P710 HydrophobicContact CE1-CG 4.07Å; F624-P710 HydrophobicContact CZ-CB 3.49Å; F624-P710 VanDerWaalsContact CZ-CB 3.49Å; F624-P710 HydrophobicContact CZ-CG 4.25Å
625	A	86.5	Confident	88.5	Confident	12 Å²	12	55.2 Å²	55.2	10%	0.099	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-52.9	-30.9	178.6	0	0	0	0	0	114.4	Y477 C480 C551 S623 H627	Y477-A625 WeakPolarHBondContact CD2-O 3.27Å; C480-A625 HydrophobicContact CB-CB 3.78Å; C551-A625 HydrophobicContact CB-CB 4.34Å; C551-A625 PolarHBondContact O-N 3.47Å; S623-A625 PolarHBondContact O-N 3.22Å; A625-H627 VanDerWaalsContact C-N 3.31Å; A625-H627 PolarHBondContact O-N 3.34Å
626	R	85.8	Confident	88.4	Confident	187 Å²	187	56.2 Å²	56.2	71%	0.706	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-75.5	-18.3	178.6	-174.8	172.5	-176.2	163.3	3.4	113.6	L459 S623 F624	L459-R626 HydrophobicContact CD1-CB 3.77Å; L459-R626 HydrophobicContact CD1-CG 4.1Å; S623-R626 PolarHBondContact O-N 3.12Å; F624-R626 PolarHBondContact O-N 3.45Å
627	H	88.9	Confident	88.3	Confident	75 Å²	75	55.2 Å²	55.2	35%	0.347	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-22.9	-169.7	-55.3	100.8	0	0	0	113.1	T620 S623 F624 A625 A629 W630 W631	T620-H627 HydrophobicContact CG2-CB 3.8Å; S623-H627 PolarHBondContact O-ND1 3.37Å; S623-H627 VanDerWaalsContact O-ND1 3.1Å; F624-H627 CarbonylContact O-C 3.46Å; F624-H627 PolarHBondContact O-N 2.87Å; A625-H627 VanDerWaalsContact C-N 3.31Å; A625-H627 PolarHBondContact O-N 3.34Å; H627-A629 PolarHBondContact O-N 3.19Å; H627-A629 VanDerWaalsContact O-N 3.15Å; H627-W630 PolarHBondContact O-N 3.43Å; H627-W631 PolarHBondContact O-N 3.15Å
628	G	87.3	Confident	88.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-53.5	-35.2	178.8	0	0	0	0	0	113	F624 W630 W631 E632	F624-G628 VanDerWaalsContact CZ-CA 3.48Å; F624-G628 PolarHBondContact O-N 2.9Å; G628-W630 PolarHBondContact O-N 3.07Å; G628-W631 PolarHBondContact O-N 3.48Å; G628-E632 WeakPolarHBondContact O-CB 3.18Å; G628-E632 PolarHBondContact O-N 3.38Å
629	A	86.2	Confident	88.2	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-47.3	-57	171.3	0	0	0	0	0	114.4	Q457 Y477 H627 N633	Q457-A629 HydrophobicContact CB-CB 3.91Å; Q457-A629 HydrophobicContact CG-CB 4.32Å; Y477-A629 HydrophobicContact CD2-CB 4.16Å; Y477-A629 HydrophobicContact CE1-CB 3.94Å; Y477-A629 HydrophobicContact CE2-CB 3.32Å; Y477-A629 WeakPolarHBondContact OH-CA 3.49Å; Y477-A629 WeakPolarHBondContact OH-CB 3.48Å; H627-A629 PolarHBondContact O-N 3.19Å; H627-A629 VanDerWaalsContact O-N 3.15Å; A629-N633 PolarHBondContact O-N 2.94Å; A629-N633 PolarHBondContact O-ND2 3.38Å
630	W	88.1	Confident	88.2	Confident	188 Å²	188	50.4 Å²	50.4	71%	0.712	26%	0.262	S	S	*	.	H	α-helix	trans	-84.9	-25.9	-169.5	-177	89.1	0	0	0	111	H627 G628 G634	H627-W630 PolarHBondContact O-N 3.43Å; G628-W630 PolarHBondContact O-N 3.07Å; W630-G634 WeakPolarHBondContact O-CA 3.45Å; W630-G634 PolarHBondContact O-N 3.01Å
631	W	89.9	Confident	88.1	Confident	26 Å²	26	49.9 Å²	49.9	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-54	169.8	-179	-111.8	0	0	0	112	V612 L613 V616 H627 G628 N633 G634 C637 I640 P710 C712	V612-W631 HydrophobicContact CG1-CH2 4.09Å; L613-W631 HydrophobicContact CD2-CZ2 4.14Å; V616-W631 HydrophobicContact CG1-CD2 4.27Å; V616-W631 HydrophobicContact CG1-CG 4.5Å; V616-W631 HydrophobicContact CG2-CD2 4.34Å; V616-W631 HydrophobicContact CG2-CE3 4.12Å; V616-W631 HydrophobicContact CG2-CH2 3.82Å; V616-W631 HydrophobicContact CG2-CZ2 4.03Å; V616-W631 HydrophobicContact CG2-CZ3 3.85Å; H627-W631 PolarHBondContact O-N 3.15Å; G628-W631 PolarHBondContact O-N 3.48Å; W631-N633 PolarHBondContact O-N 3.44Å; W631-G634 WeakPolarHBondContact O-CA 3.46Å; W631-G634 PolarHBondContact O-N 3.05Å; W631-C637 HydrophobicContact CD2-CB 4.25Å; W631-C637 HydrophobicContact CZ2-CB 4.16Å; W631-C637 WeakPolarHBondContact O-CB 3.26Å; W631-I640 HydrophobicContact CH2-CG1 4.26Å; W631-P710 PolarHBondContact NE1-O 2.99Å; W631-C712 VanDerWaalsContact CZ2-SG 3.52Å; W631-C712 PolarHBondContact NE1-SG 3.24Å; W631-C712 VanDerWaalsContact NE1-SG 3.44Å
632	E	87	Confident	88.2	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-174.8	-176.8	173.5	111.6	0	0	112.6	K549 G628 G634 G707 P710	K549-E632 WeakPolarHBondContact CE-OE2 3.44Å; K549-E632 IonicContact NZ-OE1 2.64Å; K549-E632 PolarHBondContact NZ-OE1 3.42Å; K549-E632 IonicContact NZ-OE2 3.04Å; K549-E632 PolarHBondContact NZ-OE2 3.49Å; G628-E632 WeakPolarHBondContact O-CB 3.18Å; G628-E632 PolarHBondContact O-N 3.38Å; E632-G634 VanDerWaalsContact C-N 3.3Å; E632-G707 WeakPolarHBondContact CG-O 3.48Å; E632-G707 VanDerWaalsContact O-CA 3.29Å; E632-G707 WeakPolarHBondContact O-CA 3.5Å; E632-P710 WeakPolarHBondContact OE2-CD 3.28Å
633	N	84.4	Confident	88.6	Confident	59 Å²	59	47.8 Å²	47.8	32%	0.316	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.8	175	-57.5	-94.5	0	0	0	112.8	Y475 A629 W631	Y475-N633 VanDerWaalsContact CE1-ND2 3.3Å; Y475-N633 WeakPolarHBondContact CE1-ND2 3.34Å; Y475-N633 PolarHBondContact OH-ND2 2.9Å; Y475-N633 PolarHBondContact OH-OD1 3.38Å; A629-N633 PolarHBondContact O-N 2.94Å; A629-N633 PolarHBondContact O-ND2 3.38Å; W631-N633 PolarHBondContact O-N 3.44Å
634	G	86.5	Confident	88.7	Confident	13 Å²	13	46.6 Å²	46.6	13%	0.134	23%	0.234	C	C	.	.	S	Bend	trans	-86.7	144	-171.2	0	0	0	0	0	113.5	W630 W631 E632 G636 C637 Q638	W630-G634 WeakPolarHBondContact O-CA 3.45Å; W630-G634 PolarHBondContact O-N 3.01Å; W631-G634 WeakPolarHBondContact O-CA 3.46Å; W631-G634 PolarHBondContact O-N 3.05Å; E632-G634 VanDerWaalsContact C-N 3.3Å; G634-G636 PolarHBondContact O-N 2.98Å; G634-G636 VanDerWaalsContact O-N 3.09Å; G634-C637 PolarHBondContact O-N 3.11Å; G634-Q638 PolarHBondContact O-N 3.13Å
635	V	87.3	Confident	88.8	Confident	104 Å²	104	46.8 Å²	46.8	63%	0.63	24%	0.235	S	C	*	.	H	α-helix	trans	-53.8	-31.7	172.7	-178.3	0	0	0	0	111.6	C637 Q638 V639	V635-C637 PolarHBondContact O-N 3.41Å; V635-Q638 PolarHBondContact O-N 3.06Å; V635-V639 HydrophobicContact CG1-CG2 4.09Å; V635-V639 WeakPolarHBondContact O-CB 3.26Å; V635-V639 VanDerWaalsContact O-CG2 3.28Å; V635-V639 WeakPolarHBondContact O-CG2 3.28Å; V635-V639 PolarHBondContact O-N 3.45Å
636	G	89.3	Confident	89.1	Confident	36 Å²	36	48.3 Å²	48.3	37%	0.371	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-46.5	173.6	0	0	0	0	0	113	G634 V639 I640	G634-G636 PolarHBondContact O-N 2.98Å; G634-G636 VanDerWaalsContact O-N 3.09Å; G636-V639 PolarHBondContact O-N 3.36Å; G636-I640 VanDerWaalsContact O-CG1 3.26Å; G636-I640 WeakPolarHBondContact O-CG1 3.41Å; G636-I640 PolarHBondContact O-N 3.38Å
637	C	90.1	Very high	89.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.8	-43.4	179.8	-170.7	0	0	0	0	111.6	W631 G634 V635 V639 I640 G641 C712	W631-C637 HydrophobicContact CD2-CB 4.25Å; W631-C637 HydrophobicContact CZ2-CB 4.16Å; W631-C637 WeakPolarHBondContact O-CB 3.26Å; G634-C637 PolarHBondContact O-N 3.11Å; V635-C637 PolarHBondContact O-N 3.41Å; C637-V639 VanDerWaalsContact C-N 3.33Å; C637-V639 PolarHBondContact O-N 3.02Å; C637-I640 PolarHBondContact O-N 3.49Å; C637-G641 PolarHBondContact O-N 3.02Å; C637-C712 WeakPolarHBondContact CA-SG 3.38Å; C637-C712 HydrophobicContact CB-CB 4.16Å; C637-C712 WeakPolarHBondContact CB-SG 3.31Å; C637-C712 WeakPolarHBondContact O-CB 3.44Å; C637-C712 WeakPolarHBondContact SG-CA 3.41Å; C637-C712 WeakPolarHBondContact SG-CB 3.28Å; C637-C712 CovalentContact SG-SG 2.04Å; C637-C712 PolarHBondContact SG-SG 2.93Å
638	Q	89.6	Confident	89.4	Confident	53 Å²	53	37.5 Å²	37.5	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-56.4	-44	174.2	-66.5	176.6	-15.3	0	0	112.5	G634 V635 F642 L700 S704	G634-Q638 PolarHBondContact O-N 3.13Å; V635-Q638 PolarHBondContact O-N 3.06Å; Q638-F642 VanDerWaalsContact O-CB 3.31Å; Q638-F642 WeakPolarHBondContact O-CB 3.31Å; Q638-F642 PolarHBondContact O-N 3.48Å; Q638-L700 HydrophobicContact CB-CD2 4.18Å; Q638-S704 PolarHBondContact NE2-OG 3.23Å
639	V	91.1	Very high	89.5	Confident	80 Å²	80	37.7 Å²	37.7	49%	0.485	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-40.2	177.3	168.5	0	0	0	0	111.9	V635 G636 C637 L643	V635-V639 HydrophobicContact CG1-CG2 4.09Å; V635-V639 WeakPolarHBondContact O-CB 3.26Å; V635-V639 VanDerWaalsContact O-CG2 3.28Å; V635-V639 WeakPolarHBondContact O-CG2 3.28Å; V635-V639 PolarHBondContact O-N 3.45Å; G636-V639 PolarHBondContact O-N 3.36Å; C637-V639 VanDerWaalsContact C-N 3.33Å; C637-V639 PolarHBondContact O-N 3.02Å; V639-L643 WeakPolarHBondContact O-CB 3.37Å; V639-L643 PolarHBondContact O-N 2.93Å
640	I	91.9	Very high	89.8	Confident	13 Å²	13	37.7 Å²	37.7	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-69.5	-39.2	179.1	-68	-60.2	0	0	0	111.9	V612 L613 W631 G636 C637 L643 S644 C712	V612-I640 HydrophobicContact CB-CD1 3.67Å; V612-I640 HydrophobicContact CB-CG1 4.24Å; V612-I640 HydrophobicContact CG1-CD1 3.74Å; V612-I640 HydrophobicContact CG1-CG1 3.82Å; V612-I640 HydrophobicContact CG2-CD1 3.87Å; L613-I640 HydrophobicContact CD2-CG2 4.36Å; L613-I640 HydrophobicContact CG-CG2 4.18Å; W631-I640 HydrophobicContact CH2-CG1 4.26Å; G636-I640 VanDerWaalsContact O-CG1 3.26Å; G636-I640 WeakPolarHBondContact O-CG1 3.41Å; G636-I640 PolarHBondContact O-N 3.38Å; C637-I640 PolarHBondContact O-N 3.49Å; I640-L643 PolarHBondContact O-N 3.04Å; I640-S644 VanDerWaalsContact O-CB 3.31Å; I640-S644 WeakPolarHBondContact O-CB 2.93Å; I640-S644 PolarHBondContact O-N 3.4Å; I640-C712 HydrophobicContact CG2-CB 4.4Å
641	G	89.9	Confident	89.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-51.4	173.8	0	0	0	0	0	113	C637 L643 S644 I645 Y706 C712	C637-G641 PolarHBondContact O-N 3.02Å; G641-L643 VanDerWaalsContact C-N 3.34Å; G641-L643 PolarHBondContact O-N 3.35Å; G641-S644 PolarHBondContact O-N 2.74Å; G641-I645 PolarHBondContact O-N 3.32Å; G641-Y706 WeakPolarHBondContact O-CE1 3.3Å; G641-C712 WeakPolarHBondContact CA-O 3.31Å
642	F	92	Very high	89.7	Confident	57 Å²	57	28.8 Å²	28.8	25%	0.25	17%	0.171	C	C	.	.	H	α-helix	trans	-54.2	-48.8	173.4	171.3	-89.8	0	0	0	111.8	Q638 S644 F646 L693 A696 L700 Y706	Q638-F642 VanDerWaalsContact O-CB 3.31Å; Q638-F642 WeakPolarHBondContact O-CB 3.31Å; Q638-F642 PolarHBondContact O-N 3.48Å; F642-S644 VanDerWaalsContact C-N 3.33Å; F642-S644 PolarHBondContact O-N 3.43Å; F642-F646 WeakPolarHBondContact O-CB 3.09Å; F642-F646 PolarHBondContact O-N 2.95Å; F642-L693 HydrophobicContact CE2-CD1 4.04Å; F642-L693 HydrophobicContact CZ-CD1 3.59Å; F642-A696 HydrophobicContact CD2-CB 3.8Å; F642-A696 WeakPolarHBondContact CD2-O 3.32Å; F642-A696 HydrophobicContact CE2-CB 3.84Å; F642-A696 HydrophobicContact CG-CB 4.5Å; F642-L700 HydrophobicContact CB-CD1 4.45Å; F642-L700 HydrophobicContact CD2-CD1 3.82Å; F642-L700 HydrophobicContact CG-CD1 4.4Å; F642-Y706 HydrophobicContact CB-CE2 4.21Å
643	L	92	Very high	89.8	Confident	33 Å²	33	29.1 Å²	29.1	17%	0.173	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-40.2	-179.5	-174	66.6	0	0	0	111.8	L605 V608 V639 I640 G641 A647	L605-L643 HydrophobicContact CB-CD1 3.95Å; L605-L643 HydrophobicContact CB-CG 4.27Å; L605-L643 HydrophobicContact CD1-CD1 4.05Å; L605-L643 HydrophobicContact CD2-CD1 4.3Å; L605-L643 HydrophobicContact CG-CD1 4.31Å; V608-L643 HydrophobicContact CB-CD2 4.32Å; V608-L643 HydrophobicContact CG1-CD2 4.03Å; V639-L643 WeakPolarHBondContact O-CB 3.37Å; V639-L643 PolarHBondContact O-N 2.93Å; I640-L643 PolarHBondContact O-N 3.04Å; G641-L643 VanDerWaalsContact C-N 3.34Å; G641-L643 PolarHBondContact O-N 3.35Å; L643-A647 WeakPolarHBondContact O-CB 3.5Å; L643-A647 PolarHBondContact O-N 3.05Å
644	S	90.4	Very high	90	Very high	26 Å²	26	26.6 Å²	26.6	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-43.8	-178.2	-158.7	0	0	0	0	112.2	I640 G641 F642 S648	I640-S644 VanDerWaalsContact O-CB 3.31Å; I640-S644 WeakPolarHBondContact O-CB 2.93Å; I640-S644 PolarHBondContact O-N 3.4Å; G641-S644 PolarHBondContact O-N 2.74Å; F642-S644 VanDerWaalsContact C-N 3.33Å; F642-S644 PolarHBondContact O-N 3.43Å; S644-S648 PolarHBondContact O-N 3.27Å; S644-S648 PolarHBondContact O-OG 3.46Å
645	I	90.3	Very high	89.9	Confident	8 Å²	8	27.5 Å²	27.5	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-46	175.2	-64.3	-165.6	0	0	0	110.6	G641 A647 S648 E649 A696 Y706 P714 Y725 L729	G641-I645 PolarHBondContact O-N 3.32Å; I645-A647 PolarHBondContact O-N 3.09Å; I645-A647 VanDerWaalsContact O-N 3.17Å; I645-S648 PolarHBondContact O-N 3.34Å; I645-S648 PolarHBondContact O-OG 3.48Å; I645-S648 VanDerWaalsContact O-OG 3.1Å; I645-E649 HydrophobicContact CG2-CG 3.83Å; I645-E649 VanDerWaalsContact O-CG 3.3Å; I645-E649 WeakPolarHBondContact O-CG 3.44Å; I645-E649 PolarHBondContact O-N 3.24Å; I645-A696 HydrophobicContact CB-CB 4.39Å; I645-A696 HydrophobicContact CG2-CB 4.18Å; I645-Y706 HydrophobicContact CD1-CE1 3.73Å; I645-Y706 HydrophobicContact CG1-CE1 4.17Å; I645-P714 HydrophobicContact CD1-CG 3.86Å; I645-Y725 HydrophobicContact CD1-CE1 4.15Å; I645-L729 HydrophobicContact CD1-CD2 4.28Å; I645-L729 HydrophobicContact CG2-CD2 4.41Å
646	F	93.4	Very high	89.8	Confident	43 Å²	43	23.3 Å²	23.3	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-54.9	-39.2	176.8	175.3	-105.5	0	0	0	112	L605 F642 S650 A692 L693 A696	L605-F646 HydrophobicContact CD1-CD1 4.17Å; L605-F646 HydrophobicContact CD1-CE1 4.09Å; F642-F646 WeakPolarHBondContact O-CB 3.09Å; F642-F646 PolarHBondContact O-N 2.95Å; F646-S650 WeakPolarHBondContact O-CB 3.16Å; F646-S650 PolarHBondContact O-N 3.45Å; F646-S650 PolarHBondContact O-OG 3.13Å; F646-A692 HydrophobicContact CD2-CB 4.06Å; F646-A692 HydrophobicContact CE2-CB 4.19Å; F646-L693 HydrophobicContact CD2-CB 4.26Å; F646-L693 HydrophobicContact CE2-CB 4.06Å; F646-A696 HydrophobicContact CB-CB 3.87Å
647	A	92.2	Very high	89.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-72.4	-43.9	177.7	0	0	0	0	0	113.4	V602 L605 T606 L643 I645 S651	V602-A647 HydrophobicContact CG1-CB 4.47Å; V602-A647 WeakPolarHBondContact CG1-O 3.49Å; L605-A647 HydrophobicContact CB-CB 3.88Å; T606-A647 WeakPolarHBondContact OG1-CB 3.35Å; L643-A647 WeakPolarHBondContact O-CB 3.5Å; L643-A647 PolarHBondContact O-N 3.05Å; I645-A647 PolarHBondContact O-N 3.09Å; I645-A647 VanDerWaalsContact O-N 3.17Å; A647-S651 VanDerWaalsContact O-CB 3.31Å; A647-S651 WeakPolarHBondContact O-CB 3.41Å; A647-S651 PolarHBondContact O-N 2.94Å
648	S	88.5	Confident	89.1	Confident	35 Å²	35	23.5 Å²	23.5	25%	0.245	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-51.5	178.7	64.6	0	0	0	0	111.5	S644 I645 S651 V652	S644-S648 PolarHBondContact O-N 3.27Å; S644-S648 PolarHBondContact O-OG 3.46Å; I645-S648 PolarHBondContact O-N 3.34Å; I645-S648 PolarHBondContact O-OG 3.48Å; I645-S648 VanDerWaalsContact O-OG 3.1Å; S648-S651 WeakPolarHBondContact O-CB 3.46Å; S648-S651 PolarHBondContact O-N 2.93Å; S648-S651 VanDerWaalsContact O-N 3.13Å; S648-V652 PolarHBondContact O-N 3Å
649	E	90.3	Very high	88.4	Confident	5 Å²	5	21 Å²	21	2%	0.023	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-41.8	-174.5	-57.1	-51.5	109	0	0	111.4	I645 S651 V652 F653 A692 M695 L729 N733	I645-E649 HydrophobicContact CG2-CG 3.83Å; I645-E649 VanDerWaalsContact O-CG 3.3Å; I645-E649 WeakPolarHBondContact O-CG 3.44Å; I645-E649 PolarHBondContact O-N 3.24Å; E649-S651 VanDerWaalsContact C-N 3.29Å; E649-S651 PolarHBondContact O-N 2.93Å; E649-V652 PolarHBondContact O-N 2.92Å; E649-F653 HydrophobicContact CB-CE2 4.45Å; E649-F653 WeakPolarHBondContact O-CB 3.37Å; E649-F653 WeakPolarHBondContact O-CD2 3.41Å; E649-F653 VanDerWaalsContact O-CG 3.26Å; E649-F653 WeakPolarHBondContact O-CG 3.32Å; E649-F653 PolarHBondContact O-N 3.18Å; E649-A692 HydrophobicContact CB-CB 3.93Å; E649-M695 HydrophobicContact CB-CE 3.72Å; E649-M695 HydrophobicContact CG-CE 3.71Å; E649-M695 WeakPolarHBondContact OE2-CE 3.47Å; E649-L729 HydrophobicContact CG-CD1 3.97Å; E649-L729 WeakPolarHBondContact OE2-CD1 3.49Å; E649-N733 VanDerWaalsContact CD-ND2 3.27Å; E649-N733 PolarHBondContact OE1-ND2 3.23Å; E649-N733 PolarHBondContact OE2-ND2 3.44Å
650	S	91.4	Very high	87.9	Confident	4 Å²	4	19.6 Å²	19.6	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-41.5	172.3	-66.6	0	0	0	0	111.5	F646 L654 A692	F646-S650 WeakPolarHBondContact O-CB 3.16Å; F646-S650 PolarHBondContact O-N 3.45Å; F646-S650 PolarHBondContact O-OG 3.13Å; S650-L654 WeakPolarHBondContact O-CB 3.22Å; S650-L654 WeakPolarHBondContact O-CD1 3.21Å; S650-L654 WeakPolarHBondContact O-CG 3.32Å; S650-L654 PolarHBondContact O-N 3.12Å; S650-A692 WeakPolarHBondContact OG-CB 3.24Å
651	S	88.9	Confident	87.2	Confident	10 Å²	10	21.1 Å²	21.1	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-45.9	-179.5	-163.1	0	0	0	0	111.5	N603 A647 S648 E649 F653 L654 L655	N603-S651 WeakPolarHBondContact OD1-CB 3.5Å; N603-S651 PolarHBondContact OD1-OG 3.14Å; A647-S651 VanDerWaalsContact O-CB 3.31Å; A647-S651 WeakPolarHBondContact O-CB 3.41Å; A647-S651 PolarHBondContact O-N 2.94Å; S648-S651 WeakPolarHBondContact O-CB 3.46Å; S648-S651 PolarHBondContact O-N 2.93Å; S648-S651 VanDerWaalsContact O-N 3.13Å; E649-S651 VanDerWaalsContact C-N 3.29Å; E649-S651 PolarHBondContact O-N 2.93Å; S651-F653 PolarHBondContact O-N 3.47Å; S651-L654 PolarHBondContact O-N 3.05Å; S651-L655 WeakPolarHBondContact O-CB 3.34Å; S651-L655 VanDerWaalsContact O-CG 3.27Å; S651-L655 WeakPolarHBondContact O-CG 3.5Å; S651-L655 PolarHBondContact O-N 2.94Å
652	V	87.1	Confident	86.3	Confident	17 Å²	17	24.5 Å²	24.5	10%	0.103	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-42.2	177.6	175.6	0	0	0	0	111.9	S648 E649 T656 N733 C736 F737 M740	S648-V652 PolarHBondContact O-N 3Å; E649-V652 PolarHBondContact O-N 2.92Å; V652-T656 WeakPolarHBondContact O-CB 3.47Å; V652-T656 PolarHBondContact O-N 3.46Å; V652-T656 PolarHBondContact O-OG1 3.08Å; V652-N733 WeakPolarHBondContact CB-OD1 3.26Å; V652-N733 VanDerWaalsContact CG1-OD1 3.32Å; V652-N733 WeakPolarHBondContact CG1-OD1 3.34Å; V652-N733 WeakPolarHBondContact CG2-OD1 3.31Å; V652-C736 HydrophobicContact CG1-CB 3.57Å; V652-F737 HydrophobicContact CG1-CE2 4.42Å; V652-F737 HydrophobicContact CG2-CE2 4.37Å; V652-F737 HydrophobicContact CG2-CZ 4.22Å; V652-M740 HydrophobicContact CG1-CE 4.17Å
653	F	90.1	Very high	85	Confident	16 Å²	16	22.7 Å²	22.7	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-42	176	-66.1	-25.2	0	0	0	112.8	E649 S651 T656 L657 C688 L691 A692 M695 L732	E649-F653 HydrophobicContact CB-CE2 4.45Å; E649-F653 WeakPolarHBondContact O-CB 3.37Å; E649-F653 WeakPolarHBondContact O-CD2 3.41Å; E649-F653 VanDerWaalsContact O-CG 3.26Å; E649-F653 WeakPolarHBondContact O-CG 3.32Å; E649-F653 PolarHBondContact O-N 3.18Å; S651-F653 PolarHBondContact O-N 3.47Å; F653-T656 WeakPolarHBondContact O-CB 3.17Å; F653-T656 PolarHBondContact O-N 3.07Å; F653-L657 WeakPolarHBondContact O-CB 3.37Å; F653-L657 PolarHBondContact O-N 3.07Å; F653-C688 HydrophobicContact CB-CB 3.96Å; F653-C688 HydrophobicContact CD2-CB 4.47Å; F653-L691 HydrophobicContact CD2-CD2 4.49Å; F653-L691 HydrophobicContact CE1-CD2 4.39Å; F653-L691 HydrophobicContact CE2-CB 3.95Å; F653-L691 HydrophobicContact CE2-CD2 3.7Å; F653-L691 HydrophobicContact CE2-CG 3.66Å; F653-L691 HydrophobicContact CZ-CD2 3.63Å; F653-L691 HydrophobicContact CZ-CG 3.9Å; F653-A692 HydrophobicContact CD2-CB 4.29Å; F653-A692 HydrophobicContact CE2-CB 4.26Å; F653-M695 HydrophobicContact CE2-CE 3.68Å; F653-M695 HydrophobicContact CZ-CE 3.43Å; F653-M695 VanDerWaalsContact CZ-CE 3.43Å; F653-M695 HydrophobicContact CZ-SD 4.41Å; F653-L732 HydrophobicContact CE1-CD2 4.24Å; F653-L732 HydrophobicContact CE1-CG 4.38Å; F653-L732 HydrophobicContact CZ-CD2 3.98Å
654	L	88.3	Confident	83.9	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-35.7	179.3	-67.8	167.2	0	0	0	112.3	L595 V598 I599 V602 S650 S651 T656 L657 A658 I685	L595-L654 HydrophobicContact CD1-CB 4.07Å; L595-L654 HydrophobicContact CD1-CD2 3.67Å; L595-L654 HydrophobicContact CD1-CG 4.44Å; V598-L654 HydrophobicContact CG1-CD1 3.74Å; V598-L654 HydrophobicContact CG1-CD2 4.41Å; I599-L654 HydrophobicContact CD1-CB 4.05Å; I599-L654 HydrophobicContact CG1-CB 3.5Å; I599-L654 HydrophobicContact CG1-CD1 4.17Å; I599-L654 HydrophobicContact CG1-CG 4.45Å; V602-L654 HydrophobicContact CG2-CD1 3.97Å; S650-L654 WeakPolarHBondContact O-CB 3.22Å; S650-L654 WeakPolarHBondContact O-CD1 3.21Å; S650-L654 WeakPolarHBondContact O-CG 3.32Å; S650-L654 PolarHBondContact O-N 3.12Å; S651-L654 PolarHBondContact O-N 3.05Å; L654-T656 VanDerWaalsContact C-N 3.35Å; L654-L657 PolarHBondContact O-N 3.1Å; L654-A658 WeakPolarHBondContact O-CB 3.4Å; L654-A658 PolarHBondContact O-N 3.22Å; L654-I685 HydrophobicContact CD2-CB 4.48Å; L654-I685 HydrophobicContact CD2-CG1 4.13Å; L654-I685 HydrophobicContact CD2-CG2 4.1Å
655	L	82.8	Confident	82.5	Confident	32 Å²	32	29.6 Å²	29.6	17%	0.168	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-40.4	169.8	-72.7	166.7	0	0	0	111.4	I599 S651 A658 A659 M740	I599-L655 HydrophobicContact CD1-CD2 4.2Å; I599-L655 HydrophobicContact CD1-CG 4.46Å; S651-L655 WeakPolarHBondContact O-CB 3.34Å; S651-L655 VanDerWaalsContact O-CG 3.27Å; S651-L655 WeakPolarHBondContact O-CG 3.5Å; S651-L655 PolarHBondContact O-N 2.94Å; L655-A658 PolarHBondContact O-N 3.42Å; L655-A659 PolarHBondContact O-N 3.48Å; L655-M740 HydrophobicContact CB-CE 4.41Å; L655-M740 HydrophobicContact CB-SD 3.74Å
656	T	85.6	Confident	81	Confident	16 Å²	16	32.5 Å²	32.5	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-40	175.3	-53.6	0	0	0	0	111.8	V652 F653 L654 A659 L660 C736 M739 M740	V652-T656 WeakPolarHBondContact O-CB 3.47Å; V652-T656 PolarHBondContact O-N 3.46Å; V652-T656 PolarHBondContact O-OG1 3.08Å; F653-T656 WeakPolarHBondContact O-CB 3.17Å; F653-T656 PolarHBondContact O-N 3.07Å; L654-T656 VanDerWaalsContact C-N 3.35Å; T656-A659 WeakPolarHBondContact O-CB 3.37Å; T656-A659 PolarHBondContact O-N 2.79Å; T656-L660 HydrophobicContact CG2-CD1 4.32Å; T656-L660 WeakPolarHBondContact O-CG 3.44Å; T656-L660 PolarHBondContact O-N 2.73Å; T656-L660 VanDerWaalsContact O-N 3.09Å; T656-C736 WeakPolarHBondContact OG1-CB 3.08Å; T656-M739 HydrophobicContact CG2-CB 4.32Å; T656-M740 HydrophobicContact CG2-CG 4.2Å; T656-M740 WeakPolarHBondContact OG1-CE 3.42Å
657	L	86	Confident	79	Confident	21 Å²	21	37.6 Å²	37.6	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-41	173.9	-176.5	57.9	0	0	0	111.8	L595 F653 L654 A659 L660 E661 L681 I684 I685	L595-L657 HydrophobicContact CD1-CD2 4.39Å; L595-L657 HydrophobicContact CD2-CG 4.3Å; F653-L657 WeakPolarHBondContact O-CB 3.37Å; F653-L657 PolarHBondContact O-N 3.07Å; L654-L657 PolarHBondContact O-N 3.1Å; L657-A659 VanDerWaalsContact C-N 3.35Å; L657-A659 PolarHBondContact O-N 3.24Å; L657-L660 PolarHBondContact O-N 2.97Å; L657-E661 WeakPolarHBondContact O-CB 3.2Å; L657-E661 PolarHBondContact O-N 3.23Å; L657-L681 HydrophobicContact CD1-CD1 4.22Å; L657-L681 HydrophobicContact CD2-CD1 3.89Å; L657-L681 HydrophobicContact CG-CD1 4.13Å; L657-I684 HydrophobicContact CD1-CG2 3.64Å; L657-I684 HydrophobicContact CD2-CB 4.5Å; L657-I684 HydrophobicContact CD2-CG2 3.9Å; L657-I684 HydrophobicContact CG-CG2 4.42Å; L657-I685 HydrophobicContact CD2-CG1 3.66Å
658	A	78.7	Confident	76.9	Confident	19 Å²	19	40.8 Å²	40.8	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-39	176.3	0	0	0	0	0	112.2	L595 L654 L655 R662	L595-A658 HydrophobicContact CD2-CB 3.61Å; L595-A658 HydrophobicContact CG-CB 4.29Å; L654-A658 WeakPolarHBondContact O-CB 3.4Å; L654-A658 PolarHBondContact O-N 3.22Å; L655-A658 PolarHBondContact O-N 3.42Å; A658-R662 WeakPolarHBondContact O-CG 3.26Å; A658-R662 PolarHBondContact O-N 3.18Å
659	A	76.4	Confident	75.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-47.4	174.1	0	0	0	0	0	112	L655 T656 L657 G663 M740 A743 Y744	L655-A659 PolarHBondContact O-N 3.48Å; T656-A659 WeakPolarHBondContact O-CB 3.37Å; T656-A659 PolarHBondContact O-N 2.79Å; L657-A659 VanDerWaalsContact C-N 3.35Å; L657-A659 PolarHBondContact O-N 3.24Å; A659-G663 PolarHBondContact O-N 3Å; A659-M740 HydrophobicContact CB-CB 4.26Å; A659-M740 HydrophobicContact CB-CG 3.86Å; A659-A743 HydrophobicContact CB-CB 4.16Å; A659-Y744 VanDerWaalsContact CA-CE2 3.49Å; A659-Y744 HydrophobicContact CB-CD2 3.67Å; A659-Y744 HydrophobicContact CB-CE2 3.17Å
660	L	80.6	Confident	73.1	Confident	51 Å²	51	48.2 Å²	48.2	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-45.1	-179	-69.2	171.5	0	0	0	111.9	T656 L657 R662 G663 F664 M739 A743	T656-L660 HydrophobicContact CG2-CD1 4.32Å; T656-L660 WeakPolarHBondContact O-CG 3.44Å; T656-L660 PolarHBondContact O-N 2.73Å; T656-L660 VanDerWaalsContact O-N 3.09Å; L657-L660 PolarHBondContact O-N 2.97Å; L660-R662 VanDerWaalsContact C-N 3.31Å; L660-R662 PolarHBondContact O-N 2.94Å; L660-G663 PolarHBondContact O-N 2.7Å; L660-F664 HydrophobicContact CB-CD2 4.33Å; L660-F664 HydrophobicContact CB-CE2 4.14Å; L660-F664 HydrophobicContact CD2-CE2 4.31Å; L660-F664 WeakPolarHBondContact O-CD2 3.23Å; L660-F664 PolarHBondContact O-N 2.98Å; L660-M739 HydrophobicContact CD2-CE 4.42Å; L660-A743 HydrophobicContact CD2-CB 4.25Å
661	E	76.3	Confident	70.7	Confident	45 Å²	45	56.8 Å²	56.8	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-53.5	-48.9	176	-170.3	-159.2	-177.1	0	0	111	P591 I592 L657 F664 S665	P591-E661 WeakPolarHBondContact CB-OE1 3.46Å; I592-E661 WeakPolarHBondContact CG1-OE2 3.45Å; L657-E661 WeakPolarHBondContact O-CB 3.2Å; L657-E661 PolarHBondContact O-N 3.23Å; E661-F664 PolarHBondContact O-N 2.98Å; E661-S665 WeakPolarHBondContact O-CB 3.38Å; E661-S665 PolarHBondContact O-N 2.88Å
662	R	70.1	Confident	68.2	Low	70 Å²	70	65.9 Å²	65.9	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-41.3	178.7	-68.6	-55.9	-161	146.5	6.3	112.8	A658 L660 F664 S665 V666	A658-R662 WeakPolarHBondContact O-CG 3.26Å; A658-R662 PolarHBondContact O-N 3.18Å; L660-R662 VanDerWaalsContact C-N 3.31Å; L660-R662 PolarHBondContact O-N 2.94Å; R662-F664 VanDerWaalsContact C-N 3.33Å; R662-F664 PolarHBondContact O-N 3.03Å; R662-S665 PolarHBondContact O-N 3.47Å; R662-V666 PolarHBondContact O-N 3.5Å
663	G	65.7	Low	66.2	Low	19 Å²	19	72.1 Å²	72.1	20%	0.196	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-36.5	175.3	0	0	0	0	0	113.6	A659 L660	A659-G663 PolarHBondContact O-N 3Å; L660-G663 PolarHBondContact O-N 2.7Å
664	F	68.1	Low	64	Low	130 Å²	130	79.3 Å²	79.3	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-78.4	-40	175.3	-70.1	-59.8	0	0	0	112.9	L660 E661 R662 V666 K667 C668	L660-F664 HydrophobicContact CB-CD2 4.33Å; L660-F664 HydrophobicContact CB-CE2 4.14Å; L660-F664 HydrophobicContact CD2-CE2 4.31Å; L660-F664 WeakPolarHBondContact O-CD2 3.23Å; L660-F664 PolarHBondContact O-N 2.98Å; E661-F664 PolarHBondContact O-N 2.98Å; R662-F664 VanDerWaalsContact C-N 3.33Å; R662-F664 PolarHBondContact O-N 3.03Å; F664-V666 VanDerWaalsContact C-N 3.3Å; F664-V666 PolarHBondContact O-N 3.49Å; F664-K667 WeakPolarHBondContact O-CB 3.2Å; F664-K667 PolarHBondContact O-N 3.25Å; F664-C668 PolarHBondContact O-N 3.02Å
665	S	61.6	Low	62	Low	75 Å²	75	87.2 Å²	87.2	52%	0.524	45%	0.453	S	S	.	.	H	α-helix	trans	-57.9	-38.1	-177.5	-173.7	0	0	0	0	113.4	E661 R662	E661-S665 WeakPolarHBondContact O-CB 3.38Å; E661-S665 PolarHBondContact O-N 2.88Å; R662-S665 PolarHBondContact O-N 3.47Å
666	V	59.8	Low	60.5	Low	69 Å²	69	89.7 Å²	89.7	42%	0.418	48%	0.478	S	S	.	.	H	α-helix	trans	-70.9	-37.8	175.6	172.9	0	0	0	0	111.2	R662 F664 C668 S669 L747	R662-V666 PolarHBondContact O-N 3.5Å; F664-V666 VanDerWaalsContact C-N 3.3Å; F664-V666 PolarHBondContact O-N 3.49Å; V666-C668 PolarHBondContact O-N 3.09Å; V666-S669 PolarHBondContact O-N 2.98Å; V666-L747 HydrophobicContact CB-CD1 4.05Å; V666-L747 HydrophobicContact CG2-CD1 3.52Å
667	K	51.4	Low	59.2	Low	150 Å²	150	92.4 Å²	92.4	65%	0.652	50%	0.496	S	S	*	.	H	α-helix	trans	-69.2	-34	-177.1	-151.4	179.5	-173.8	-172.4	0	113.1	F664 S669	F664-K667 WeakPolarHBondContact O-CB 3.2Å; F664-K667 PolarHBondContact O-N 3.25Å; K667-S669 VanDerWaalsContact C-N 3.3Å; K667-S669 PolarHBondContact O-N 2.96Å
668	C	48.3	Very low	58.1	Low	66 Å²	66	94.5 Å²	94.5	45%	0.446	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-74.7	-14.1	177.7	-71.5	0	0	0	0	114.1	F664 V666 A670	F664-C668 PolarHBondContact O-N 3.02Å; V666-C668 PolarHBondContact O-N 3.09Å; C668-A670 PolarHBondContact O-N 3.31Å
669	S	48.7	Very low	57.5	Low	110 Å²	110	97.2 Å²	97.2	77%	0.769	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-69.7	-11.3	176	-162.1	0	0	0	0	113.8	V666 K667	V666-S669 PolarHBondContact O-N 2.98Å; K667-S669 VanDerWaalsContact C-N 3.3Å; K667-S669 PolarHBondContact O-N 2.96Å
670	A	49.2	Very low	57.5	Low	86 Å²	86	99.7 Å²	99.7	71%	0.711	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-98.7	-23.9	-175.9	0	0	0	0	0	114.6	C668	C668-A670 PolarHBondContact O-N 3.31Å
671	K	40.4	Very low	57.5	Low	184 Å²	184	98 Å²	98	80%	0.8	53%	0.531	S	S	*	.	S	Bend	trans	-152.2	107.1	179.3	-71.6	-166	177.8	-177.1	0	113.1
672	F	37.3	Very low	57.8	Low	201 Å²	201	101.1 Å²	101.1	88%	0.882	54%	0.543	S	S	*	.			trans	62	148.2	163.3	-108.3	-98.1	0	0	0	118.8	M674	F672-M674 PolarHBondContact O-N 3.43Å; F672-M674 VanDerWaalsContact O-N 3.17Å
673	E	45.6	Very low	58.6	Low	149 Å²	149	102.5 Å²	102.5	70%	0.696	56%	0.559	S	S	*	*			trans	-76.5	103.2	-176.2	-71.2	-159.5	105.5	0	0	113.2	K675	E673-K675 IonicContact OE1-NZ 3.81Å; E673-K675 PolarHBondContact OE1-NZ 3.45Å
674	M	43.1	Very low	59.6	Low	167 Å²	167	105.2 Å²	105.2	82%	0.823	57%	0.569	S	S	*	*			trans	-132.1	77.1	147	-72.2	-165.6	77	0	0	109.8	F672 A676	F672-M674 PolarHBondContact O-N 3.43Å; F672-M674 VanDerWaalsContact O-N 3.17Å; M674-A676 PolarHBondContact O-N 3.29Å
675	K	46.9	Very low	60.5	Low	171 Å²	171	100 Å²	100	74%	0.743	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.9	120.3	160.2	-71.5	167.3	-175.2	134.2	0	107.2	E673	E673-K675 IonicContact OE1-NZ 3.81Å; E673-K675 PolarHBondContact OE1-NZ 3.45Å
676	A	50.3	Low	61.9	Low	85 Å²	85	101.7 Å²	101.7	70%	0.702	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.8	124.6	173	0	0	0	0	0	108.7	M674	M674-A676 PolarHBondContact O-N 3.29Å
677	P	59.8	Low	63.3	Low	73 Å²	73	103.8 Å²	103.8	47%	0.474	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-67.3	145.4	-173.6	26.8	-33.2	0	0	0	110	S679 S680	P677-S679 PolarHBondContact O-N 2.71Å; P677-S680 WeakPolarHBondContact CG-OG 3.38Å; P677-S680 WeakPolarHBondContact O-CB 3.21Å; P677-S680 PolarHBondContact O-N 3.49Å
678	F	61.5	Low	65.2	Low	64 Å²	64	97.7 Å²	97.7	28%	0.281	53%	0.534	S	S	.	.	H	α-helix	trans	-56.6	-22.9	-175.3	-175.3	-125.7	0	0	0	113.8	P591 L594	P591-F678 HydrophobicContact CG-CD2 4.11Å; P591-F678 HydrophobicContact CG-CE2 4.48Å; L594-F678 HydrophobicContact CD2-CE2 3.88Å; L594-F678 HydrophobicContact CD2-CZ 4.02Å
679	S	66.8	Low	67.3	Low	77 Å²	77	96.2 Å²	96.2	54%	0.538	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-44.7	169.4	44.4	0	0	0	0	113.2	P677 L681 K682 V683	P677-S679 PolarHBondContact O-N 2.71Å; S679-L681 PolarHBondContact O-N 2.97Å; S679-K682 PolarHBondContact O-N 2.98Å; S679-V683 PolarHBondContact O-N 2.92Å
680	S	75.8	Confident	69.4	Low	51 Å²	51	95.3 Å²	95.3	36%	0.357	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-39.7	-180	-64.3	0	0	0	0	112.4	P677 K682 V683 I684	P677-S680 WeakPolarHBondContact CG-OG 3.38Å; P677-S680 WeakPolarHBondContact O-CB 3.21Å; P677-S680 PolarHBondContact O-N 3.49Å; S680-K682 VanDerWaalsContact C-N 3.33Å; S680-K682 PolarHBondContact O-N 3.47Å; S680-V683 PolarHBondContact O-N 3.36Å; S680-I684 WeakPolarHBondContact O-CG1 3.27Å; S680-I684 PolarHBondContact O-N 3Å
681	L	81.6	Confident	71.5	Confident	17 Å²	17	95 Å²	95	9%	0.089	50%	0.498	C	S	.	.	H	α-helix	trans	-62.6	-40.5	176.8	-177.8	62.9	0	0	0	111.7	P591 L657 S679 V683 I684 I685	P591-L681 HydrophobicContact CB-CD2 3.68Å; L657-L681 HydrophobicContact CD1-CD1 4.22Å; L657-L681 HydrophobicContact CD2-CD1 3.89Å; L657-L681 HydrophobicContact CG-CD1 4.13Å; S679-L681 PolarHBondContact O-N 2.97Å; L681-V683 VanDerWaalsContact C-N 3.32Å; L681-V683 PolarHBondContact O-N 3.39Å; L681-I684 PolarHBondContact O-N 2.99Å; L681-I685 HydrophobicContact CD1-CD1 4.39Å; L681-I685 HydrophobicContact CD1-CG1 4.46Å; L681-I685 HydrophobicContact CG-CD1 3.99Å; L681-I685 HydrophobicContact CG-CG1 4.48Å; L681-I685 WeakPolarHBondContact O-CG1 3.35Å; L681-I685 PolarHBondContact O-N 3.49Å
682	K	82.7	Confident	74	Confident	109 Å²	109	86.3 Å²	86.3	47%	0.474	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-37.6	176.2	-69.7	-179.3	178.6	-173.7	0	112.5	L594 S679 S680 L686	L594-K682 HydrophobicContact CD2-CG 4.2Å; S679-K682 PolarHBondContact O-N 2.98Å; S680-K682 VanDerWaalsContact C-N 3.33Å; S680-K682 PolarHBondContact O-N 3.47Å; K682-L686 WeakPolarHBondContact O-CB 3.39Å; K682-L686 PolarHBondContact O-N 2.91Å
683	V	85.6	Confident	76.7	Confident	99 Å²	99	80.2 Å²	80.2	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-65.6	-40.7	174.6	174.7	0	0	0	0	111.3	S679 S680 L681 L686 L687	S679-V683 PolarHBondContact O-N 2.92Å; S680-V683 PolarHBondContact O-N 3.36Å; L681-V683 VanDerWaalsContact C-N 3.32Å; L681-V683 PolarHBondContact O-N 3.39Å; V683-L686 PolarHBondContact O-N 2.97Å; V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 PolarHBondContact O-N 3.42Å
684	I	86.8	Confident	78.9	Confident	76 Å²	76	76.9 Å²	76.9	39%	0.39	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-42	177.6	-60.8	162.6	0	0	0	111	L657 S680 L681 L686 L687 C688	L657-I684 HydrophobicContact CD1-CG2 3.64Å; L657-I684 HydrophobicContact CD2-CB 4.5Å; L657-I684 HydrophobicContact CD2-CG2 3.9Å; L657-I684 HydrophobicContact CG-CG2 4.42Å; S680-I684 WeakPolarHBondContact O-CG1 3.27Å; S680-I684 PolarHBondContact O-N 3Å; L681-I684 PolarHBondContact O-N 2.99Å; I684-L686 VanDerWaalsContact C-N 3.31Å; I684-L686 PolarHBondContact O-N 2.9Å; I684-L687 WeakPolarHBondContact O-CB 3.45Å; I684-L687 PolarHBondContact O-N 3Å; I684-L687 VanDerWaalsContact O-N 3.15Å; I684-C688 PolarHBondContact O-N 3.34Å; I684-C688 PolarHBondContact O-SG 2.69Å; I684-C688 VanDerWaalsContact O-SG 3.36Å
685	I	88.6	Confident	81.1	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.108	39%	0.394	C	S	.	.	H	α-helix	trans	-57.9	-43.8	173.6	-71.4	169.6	0	0	0	110.9	L595 V598 L654 L657 L681 C688 A689	L595-I685 HydrophobicContact CD1-CD1 4.2Å; L595-I685 HydrophobicContact CD1-CG1 4.34Å; V598-I685 HydrophobicContact CG1-CG2 4.33Å; L654-I685 HydrophobicContact CD2-CB 4.48Å; L654-I685 HydrophobicContact CD2-CG1 4.13Å; L654-I685 HydrophobicContact CD2-CG2 4.1Å; L657-I685 HydrophobicContact CD2-CG1 3.66Å; L681-I685 HydrophobicContact CD1-CD1 4.39Å; L681-I685 HydrophobicContact CD1-CG1 4.46Å; L681-I685 HydrophobicContact CG-CD1 3.99Å; L681-I685 HydrophobicContact CG-CG1 4.48Å; L681-I685 WeakPolarHBondContact O-CG1 3.35Å; L681-I685 PolarHBondContact O-N 3.49Å; I685-C688 PolarHBondContact O-N 2.87Å; I685-A689 PolarHBondContact O-N 3.08Å
686	L	89.1	Confident	83.2	Confident	110 Å²	110	62.1 Å²	62.1	58%	0.576	36%	0.358	S	S	*	.	H	α-helix	trans	-64.4	-38.3	176.3	-178.3	63.2	0	0	0	112.2	K682 V683 I684 A689 L690	K682-L686 WeakPolarHBondContact O-CB 3.39Å; K682-L686 PolarHBondContact O-N 2.91Å; V683-L686 PolarHBondContact O-N 2.97Å; I684-L686 VanDerWaalsContact C-N 3.31Å; I684-L686 PolarHBondContact O-N 2.9Å; L686-A689 PolarHBondContact O-N 2.98Å; L686-L690 HydrophobicContact CG-CD1 4.43Å; L686-L690 WeakPolarHBondContact O-CB 3.41Å; L686-L690 PolarHBondContact O-N 3.06Å
687	L	90.7	Very high	85.1	Confident	114 Å²	114	59.4 Å²	59.4	60%	0.597	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-40.9	175.9	-175.6	64.3	0	0	0	112.2	V683 I684 L690 L691	V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 PolarHBondContact O-N 3.42Å; I684-L687 WeakPolarHBondContact O-CB 3.45Å; I684-L687 PolarHBondContact O-N 3Å; I684-L687 VanDerWaalsContact O-N 3.15Å; L687-L690 PolarHBondContact O-N 3.44Å; L687-L691 PolarHBondContact O-N 2.78Å
688	C	91.5	Very high	86.4	Confident	22 Å²	22	59.2 Å²	59.2	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-44.1	173.3	-68.5	0	0	0	0	111.7	F653 I684 I685 L691 A692	F653-C688 HydrophobicContact CB-CB 3.96Å; F653-C688 HydrophobicContact CD2-CB 4.47Å; I684-C688 PolarHBondContact O-N 3.34Å; I684-C688 PolarHBondContact O-SG 2.69Å; I684-C688 VanDerWaalsContact O-SG 3.36Å; I685-C688 PolarHBondContact O-N 2.87Å; C688-L691 PolarHBondContact O-N 2.9Å; C688-A692 PolarHBondContact O-N 3.33Å
689	A	91.7	Very high	87.5	Confident	35 Å²	35	56.2 Å²	56.2	29%	0.289	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-39.1	175.9	0	0	0	0	0	112.3	I685 L686 A692 L693	I685-A689 PolarHBondContact O-N 3.08Å; L686-A689 PolarHBondContact O-N 2.98Å; A689-A692 PolarHBondContact O-N 3.41Å; A689-L693 VanDerWaalsContact O-CB 3.23Å; A689-L693 WeakPolarHBondContact O-CB 3.42Å; A689-L693 PolarHBondContact O-N 3.15Å
690	L	93.2	Very high	88.3	Confident	90 Å²	90	55.9 Å²	55.9	47%	0.471	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-39.5	173.5	-89.1	167.5	0	0	0	112.6	L686 L687 L693 T694	L686-L690 HydrophobicContact CG-CD1 4.43Å; L686-L690 WeakPolarHBondContact O-CB 3.41Å; L686-L690 PolarHBondContact O-N 3.06Å; L687-L690 PolarHBondContact O-N 3.44Å; L690-L693 PolarHBondContact O-N 3.31Å; L690-T694 PolarHBondContact O-N 2.94Å; L690-T694 PolarHBondContact O-OG1 3.17Å
691	L	92.8	Very high	88.5	Confident	81 Å²	81	60.7 Å²	60.7	42%	0.424	33%	0.333	S	S	.	.	H	α-helix	trans	-69.9	-40.7	177.6	-176.1	61	0	0	0	112.1	F653 L687 C688 L693 T694 M695	F653-L691 HydrophobicContact CD2-CD2 4.49Å; F653-L691 HydrophobicContact CE1-CD2 4.39Å; F653-L691 HydrophobicContact CE2-CB 3.95Å; F653-L691 HydrophobicContact CE2-CD2 3.7Å; F653-L691 HydrophobicContact CE2-CG 3.66Å; F653-L691 HydrophobicContact CZ-CD2 3.63Å; F653-L691 HydrophobicContact CZ-CG 3.9Å; L687-L691 PolarHBondContact O-N 2.78Å; C688-L691 PolarHBondContact O-N 2.9Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.42Å; L691-T694 PolarHBondContact O-N 2.97Å; L691-T694 PolarHBondContact O-OG1 3.49Å; L691-M695 WeakPolarHBondContact O-CG 3.39Å; L691-M695 PolarHBondContact O-N 3.01Å
692	A	93.2	Very high	87.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-37.4	172.6	0	0	0	0	0	111.7	F646 E649 S650 F653 C688 A689 M695 A696	F646-A692 HydrophobicContact CD2-CB 4.06Å; F646-A692 HydrophobicContact CE2-CB 4.19Å; E649-A692 HydrophobicContact CB-CB 3.93Å; S650-A692 WeakPolarHBondContact OG-CB 3.24Å; F653-A692 HydrophobicContact CD2-CB 4.29Å; F653-A692 HydrophobicContact CE2-CB 4.26Å; C688-A692 PolarHBondContact O-N 3.33Å; A689-A692 PolarHBondContact O-N 3.41Å; A692-M695 PolarHBondContact O-N 3.14Å; A692-A696 WeakPolarHBondContact O-CB 3.46Å; A692-A696 PolarHBondContact O-N 3.43Å
693	L	93.7	Very high	86.6	Confident	73 Å²	73	60.3 Å²	60.3	38%	0.382	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.7	177	61.2	0	0	0	112.4	F642 F646 A689 L690 L691 A697	F642-L693 HydrophobicContact CE2-CD1 4.04Å; F642-L693 HydrophobicContact CZ-CD1 3.59Å; F646-L693 HydrophobicContact CD2-CB 4.26Å; F646-L693 HydrophobicContact CE2-CB 4.06Å; A689-L693 VanDerWaalsContact O-CB 3.23Å; A689-L693 WeakPolarHBondContact O-CB 3.42Å; A689-L693 PolarHBondContact O-N 3.15Å; L690-L693 PolarHBondContact O-N 3.31Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.42Å; L693-A697 VanDerWaalsContact O-CB 3.31Å; L693-A697 WeakPolarHBondContact O-CB 3.47Å; L693-A697 PolarHBondContact O-N 2.89Å
694	T	91.2	Very high	85.4	Confident	79 Å²	79	57.5 Å²	57.5	49%	0.485	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-41.9	177.1	52.7	0	0	0	0	111.6	L690 L691 A697 V698	L690-T694 PolarHBondContact O-N 2.94Å; L690-T694 PolarHBondContact O-OG1 3.17Å; L691-T694 PolarHBondContact O-N 2.97Å; L691-T694 PolarHBondContact O-OG1 3.49Å; T694-A697 PolarHBondContact O-N 3.03Å; T694-V698 PolarHBondContact O-N 3.17Å; T694-V698 VanDerWaalsContact O-N 3.15Å
695	M	90.3	Very high	84.8	Confident	28 Å²	28	55.4 Å²	55.4	14%	0.138	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-38.4	177.9	-66.4	-169	-45.5	0	0	113.1	E649 F653 L691 A692 A697 P699 Y725 L729 L732	E649-M695 HydrophobicContact CB-CE 3.72Å; E649-M695 HydrophobicContact CG-CE 3.71Å; E649-M695 WeakPolarHBondContact OE2-CE 3.47Å; F653-M695 HydrophobicContact CE2-CE 3.68Å; F653-M695 HydrophobicContact CZ-CE 3.43Å; F653-M695 VanDerWaalsContact CZ-CE 3.43Å; F653-M695 HydrophobicContact CZ-SD 4.41Å; L691-M695 WeakPolarHBondContact O-CG 3.39Å; L691-M695 PolarHBondContact O-N 3.01Å; A692-M695 PolarHBondContact O-N 3.14Å; M695-A697 VanDerWaalsContact C-N 3.3Å; M695-P699 WeakPolarHBondContact O-CD 3.31Å; M695-Y725 PolarHBondContact O-OH 3.43Å; M695-L729 HydrophobicContact CE-CD1 4.14Å; M695-L729 HydrophobicContact SD-CD1 4.24Å; M695-L732 HydrophobicContact CE-CD2 3.95Å; M695-L732 HydrophobicContact SD-CD2 3.39Å; M695-L732 WeakPolarHBondContact SD-CD2 3.45Å
696	A	90.9	Very high	84.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.2	-25.1	173.5	0	0	0	0	0	113	F642 I645 F646 A692 Y706	F642-A696 HydrophobicContact CD2-CB 3.8Å; F642-A696 WeakPolarHBondContact CD2-O 3.32Å; F642-A696 HydrophobicContact CE2-CB 3.84Å; F642-A696 HydrophobicContact CG-CB 4.5Å; I645-A696 HydrophobicContact CB-CB 4.39Å; I645-A696 HydrophobicContact CG2-CB 4.18Å; F646-A696 HydrophobicContact CB-CB 3.87Å; A692-A696 WeakPolarHBondContact O-CB 3.46Å; A692-A696 PolarHBondContact O-N 3.43Å; A696-Y706 PolarHBondContact O-OH 3.2Å
697	A	90.4	Very high	83.9	Confident	29 Å²	29	49.8 Å²	49.8	24%	0.24	31%	0.311	C	S	.	.	H	α-helix	trans	-81.4	-25.2	178.4	0	0	0	0	0	114.1	L693 T694 M695 L700 L701	L693-A697 VanDerWaalsContact O-CB 3.31Å; L693-A697 WeakPolarHBondContact O-CB 3.47Å; L693-A697 PolarHBondContact O-N 2.89Å; T694-A697 PolarHBondContact O-N 3.03Å; M695-A697 VanDerWaalsContact C-N 3.3Å; A697-L700 WeakPolarHBondContact O-CB 3.16Å; A697-L700 PolarHBondContact O-N 3.15Å; A697-L700 VanDerWaalsContact O-N 3.1Å; A697-L701 PolarHBondContact O-N 3.3Å
698	V	87.5	Confident	83.2	Confident	69 Å²	69	46.7 Å²	46.7	42%	0.418	30%	0.302	S	S	.	.	H	α-helix	trans	-52.2	-49.4	-178.9	162.6	0	0	0	0	113.2	T694 L700 L701 G702 Y725	T694-V698 PolarHBondContact O-N 3.17Å; T694-V698 VanDerWaalsContact O-N 3.15Å; V698-L700 PolarHBondContact O-N 3.35Å; V698-L700 VanDerWaalsContact O-N 3.12Å; V698-L701 PolarHBondContact O-N 3.23Å; V698-G702 PolarHBondContact O-N 2.87Å; V698-Y725 HydrophobicContact CB-CD2 4.41Å; V698-Y725 HydrophobicContact CB-CE2 4.01Å; V698-Y725 HydrophobicContact CG1-CD2 3.79Å; V698-Y725 HydrophobicContact CG1-CE2 3.9Å
699	P	83.9	Confident	82.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-8.9	-177.7	-17.9	32.8	0	0	0	114.5	M695 E705 Y706 Y725	M695-P699 WeakPolarHBondContact O-CD 3.31Å; P699-E705 HydrophobicContact CB-CB 3.82Å; P699-E705 HydrophobicContact CB-CG 4.4Å; P699-E705 PolarHBondContact O-N 2.68Å; P699-Y706 HydrophobicContact CB-CD2 3.99Å; P699-Y706 HydrophobicContact CB-CE1 4.5Å; P699-Y706 HydrophobicContact CB-CE2 3.7Å; P699-Y706 HydrophobicContact CG-CE2 4.04Å; P699-Y725 HydrophobicContact CG-CD1 4.31Å; P699-Y725 HydrophobicContact CG-CD2 4.4Å; P699-Y725 HydrophobicContact CG-CE1 3.73Å; P699-Y725 HydrophobicContact CG-CE2 3.81Å; P699-Y725 VanDerWaalsContact CG-CZ 3.42Å
700	L	82.6	Confident	82.6	Confident	71 Å²	71	44.1 Å²	44.1	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-85.6	-32.2	169.9	-62.7	172	0	0	0	111.8	Q638 F642 A697 V698 Y706	Q638-L700 HydrophobicContact CB-CD2 4.18Å; F642-L700 HydrophobicContact CB-CD1 4.45Å; F642-L700 HydrophobicContact CD2-CD1 3.82Å; F642-L700 HydrophobicContact CG-CD1 4.4Å; A697-L700 WeakPolarHBondContact O-CB 3.16Å; A697-L700 PolarHBondContact O-N 3.15Å; A697-L700 VanDerWaalsContact O-N 3.1Å; V698-L700 PolarHBondContact O-N 3.35Å; V698-L700 VanDerWaalsContact O-N 3.12Å; L700-Y706 HydrophobicContact CD2-CD2 3.75Å; L700-Y706 HydrophobicContact CD2-CE2 4.16Å; L700-Y706 HydrophobicContact CG-CD2 4.1Å; L700-Y706 HydrophobicContact CG-CE2 4.01Å
701	L	80.3	Confident	82.4	Confident	152 Å²	152	40 Å²	40	80%	0.796	26%	0.26	S	S	*	.	H	α-helix	trans	-77.8	-27.2	179.7	-63.7	172.3	0	0	0	112.7	A697 V698 G703	A697-L701 PolarHBondContact O-N 3.3Å; V698-L701 PolarHBondContact O-N 3.23Å; L701-G703 VanDerWaalsContact C-N 3.35Å
702	G	65.4	Low	82.2	Confident	58 Å²	58	36.1 Å²	36.1	60%	0.598	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.8	177.3	0	0	0	0	0	115.2	V698	V698-G702 PolarHBondContact O-N 2.87Å
703	G	59.4	Low	81.7	Confident	59 Å²	59	37.4 Å²	37.4	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	111.3	68.2	-178.2	0	0	0	0	0	113.9	L701 E705	L701-G703 VanDerWaalsContact C-N 3.35Å; G703-E705 PolarHBondContact O-N 3.02Å
704	S	60.3	Low	80.9	Confident	41 Å²	41	34.1 Å²	34.1	29%	0.287	23%	0.23	S	C	.	.			trans	58	38.2	170.1	-166	0	0	0	0	115.9	Q638 Y706 G707	Q638-S704 PolarHBondContact NE2-OG 3.23Å; S704-Y706 PolarHBondContact O-N 3.1Å; S704-G707 WeakPolarHBondContact O-CA 3.34Å; S704-G707 PolarHBondContact O-N 3.06Å
705	E	74.6	Confident	80	Confident	31 Å²	31	31.3 Å²	31.3	15%	0.145	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.8	-31.1	178.7	-63.3	173.4	-153	0	0	113	P699 G703 G707 A708 T722	P699-E705 HydrophobicContact CB-CB 3.82Å; P699-E705 HydrophobicContact CB-CG 4.4Å; P699-E705 PolarHBondContact O-N 2.68Å; G703-E705 PolarHBondContact O-N 3.02Å; E705-G707 PolarHBondContact O-N 2.98Å; E705-A708 VanDerWaalsContact O-CB 3.24Å; E705-A708 WeakPolarHBondContact O-CB 3.31Å; E705-A708 PolarHBondContact O-N 3.01Å; E705-T722 HydrophobicContact CB-CG2 4.21Å; E705-T722 HydrophobicContact CG-CG2 3.91Å
706	Y	82.9	Confident	78.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.4	171.8	-72.1	-62.6	0	0	0	113.3	G641 F642 I645 A696 P699 L700 S704 A708 C712	G641-Y706 WeakPolarHBondContact O-CE1 3.3Å; F642-Y706 HydrophobicContact CB-CE2 4.21Å; I645-Y706 HydrophobicContact CD1-CE1 3.73Å; I645-Y706 HydrophobicContact CG1-CE1 4.17Å; A696-Y706 PolarHBondContact O-OH 3.2Å; P699-Y706 HydrophobicContact CB-CD2 3.99Å; P699-Y706 HydrophobicContact CB-CE1 4.5Å; P699-Y706 HydrophobicContact CB-CE2 3.7Å; P699-Y706 HydrophobicContact CG-CE2 4.04Å; L700-Y706 HydrophobicContact CD2-CD2 3.75Å; L700-Y706 HydrophobicContact CD2-CE2 4.16Å; L700-Y706 HydrophobicContact CG-CD2 4.1Å; L700-Y706 HydrophobicContact CG-CE2 4.01Å; S704-Y706 PolarHBondContact O-N 3.1Å; Y706-A708 VanDerWaalsContact C-N 3.28Å; Y706-A708 PolarHBondContact O-N 3.29Å; Y706-C712 WeakPolarHBondContact CD1-O 3.45Å
707	G	75.5	Confident	77.4	Confident	13 Å²	13	36.2 Å²	36.2	13%	0.134	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-82.5	7.6	174.5	0	0	0	0	0	114.2	E632 S704 E705 S709	E632-G707 WeakPolarHBondContact CG-O 3.48Å; E632-G707 VanDerWaalsContact O-CA 3.29Å; E632-G707 WeakPolarHBondContact O-CA 3.5Å; S704-G707 WeakPolarHBondContact O-CA 3.34Å; S704-G707 PolarHBondContact O-N 3.06Å; E705-G707 PolarHBondContact O-N 2.98Å; G707-S709 PolarHBondContact O-N 3.48Å
708	A	76.8	Confident	76	Confident	50 Å²	50	37.7 Å²	37.7	41%	0.413	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-66.8	-23.5	173.4	0	0	0	0	0	112.8	K549 E705 Y706	K549-A708 WeakPolarHBondContact CE-O 3.47Å; K549-A708 PolarHBondContact NZ-O 3.05Å; E705-A708 VanDerWaalsContact O-CB 3.24Å; E705-A708 WeakPolarHBondContact O-CB 3.31Å; E705-A708 PolarHBondContact O-N 3.01Å; Y706-A708 VanDerWaalsContact C-N 3.28Å; Y706-A708 PolarHBondContact O-N 3.29Å
709	S	84.1	Confident	74.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	26%	0.263	C	S	.	.	S	Bend	trans	-143.8	143	-175.9	178.4	0	0	0	0	111.7	G707 L711 C712	G707-S709 PolarHBondContact O-N 3.48Å; S709-L711 PolarHBondContact O-N 3.15Å; S709-L711 VanDerWaalsContact O-N 3.12Å; S709-L711 PolarHBondContact OG-N 2.79Å; S709-C712 PolarHBondContact O-N 2.86Å
710	P	86.8	Confident	74.1	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.2	173.2	30.6	-38.4	0	0	0	114.1	F548 L554 F624 W631 E632 C712	F548-P710 WeakPolarHBondContact O-CD 3.49Å; F548-P710 WeakPolarHBondContact O-CG 3.49Å; L554-P710 HydrophobicContact CD1-CB 3.78Å; L554-P710 HydrophobicContact CD1-CG 4.06Å; F624-P710 HydrophobicContact CE1-CB 3.81Å; F624-P710 HydrophobicContact CE1-CG 4.07Å; F624-P710 HydrophobicContact CZ-CB 3.49Å; F624-P710 VanDerWaalsContact CZ-CB 3.49Å; F624-P710 HydrophobicContact CZ-CG 4.25Å; W631-P710 PolarHBondContact NE1-O 2.99Å; E632-P710 WeakPolarHBondContact OE2-CD 3.28Å; P710-C712 PolarHBondContact O-N 3.22Å
711	L	87.7	Confident	73.6	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.7	167.8	-59.4	-175.1	0	0	0	112.8	F548 L554 S709 L713 K802 L806	F548-L711 HydrophobicContact CD1-CD1 3.89Å; F548-L711 HydrophobicContact CE1-CD1 4.11Å; L554-L711 HydrophobicContact CD1-CD2 3.95Å; L554-L711 HydrophobicContact CG-CD2 4.36Å; S709-L711 PolarHBondContact O-N 3.15Å; S709-L711 VanDerWaalsContact O-N 3.12Å; S709-L711 PolarHBondContact OG-N 2.79Å; L711-L713 PolarHBondContact O-N 3.12Å; L711-K802 HydrophobicContact CD1-CG 4.48Å; L711-L806 HydrophobicContact CD1-CD1 4.11Å; L711-L806 HydrophobicContact CD1-CG 4.48Å; L711-L806 HydrophobicContact CD2-CD1 4.01Å; L711-L806 HydrophobicContact CD2-CD2 4.28Å
712	C	88.9	Confident	73.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	27%	0.269	C	S	.	.			trans	61.8	20.1	177.9	-47.5	0	0	0	0	114.5	W631 C637 I640 G641 Y706 S709 P710	W631-C712 VanDerWaalsContact CZ2-SG 3.52Å; W631-C712 PolarHBondContact NE1-SG 3.24Å; W631-C712 VanDerWaalsContact NE1-SG 3.44Å; C637-C712 WeakPolarHBondContact CA-SG 3.38Å; C637-C712 HydrophobicContact CB-CB 4.16Å; C637-C712 WeakPolarHBondContact CB-SG 3.31Å; C637-C712 WeakPolarHBondContact O-CB 3.44Å; C637-C712 WeakPolarHBondContact SG-CA 3.41Å; C637-C712 WeakPolarHBondContact SG-CB 3.28Å; C637-C712 CovalentContact SG-SG 2.04Å; C637-C712 PolarHBondContact SG-SG 2.93Å; I640-C712 HydrophobicContact CG2-CB 4.4Å; G641-C712 WeakPolarHBondContact CA-O 3.31Å; Y706-C712 WeakPolarHBondContact CD1-O 3.45Å; S709-C712 PolarHBondContact O-N 2.86Å; P710-C712 PolarHBondContact O-N 3.22Å
713	L	83.6	Confident	73.5	Confident	28 Å²	28	38.4 Å²	38.4	15%	0.147	25%	0.251	C	S	.	.	S	Bend	trans	-118.6	136.4	177.9	-66.3	173.1	0	0	0	109.1	L711 L715	L711-L713 PolarHBondContact O-N 3.12Å; L713-L715 PolarHBondContact O-N 3.07Å
714	P	76.3	Confident	74.3	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.026	24%	0.243	C	C	.	.			trans	-58.9	129.3	171	22.1	-30.3	0	0	0	110.1	I645 Y725 M726	I645-P714 HydrophobicContact CD1-CG 3.86Å; P714-Y725 HydrophobicContact CG-CD1 4.41Å; P714-Y725 HydrophobicContact CG-CE1 4.09Å; P714-M726 HydrophobicContact CB-CG 4.06Å; P714-M726 HydrophobicContact CB-SD 3.98Å; P714-M726 HydrophobicContact CG-CG 4.36Å; P714-M726 HydrophobicContact CG-SD 3.64Å; P714-M726 WeakPolarHBondContact O-CE 3.39Å
715	L	72.1	Confident	75.4	Confident	19 Å²	19	37.1 Å²	37.1	10%	0.099	24%	0.235	C	C	.	.			trans	-95.3	147.8	179.4	-63.3	178.7	0	0	0	110.3	F548 L713 F717 L805	F548-L715 HydrophobicContact CB-CD1 3.97Å; F548-L715 HydrophobicContact CD1-CD1 3.98Å; F548-L715 HydrophobicContact CD1-CD2 4.13Å; F548-L715 HydrophobicContact CD2-CD1 4.28Å; F548-L715 HydrophobicContact CE1-CD2 4.1Å; F548-L715 HydrophobicContact CG-CD1 3.81Å; L713-L715 PolarHBondContact O-N 3.07Å; L715-F717 PolarHBondContact O-N 2.99Å; L715-F717 VanDerWaalsContact O-N 3.11Å; L715-L805 HydrophobicContact CD2-CD1 3.97Å
716	P	61.9	Low	75.6	Confident	24 Å²	24	36.7 Å²	36.7	16%	0.156	23%	0.233	C	C	.	.	S	Bend	trans	-77.8	12.9	176.8	35.9	-38	0	0	0	113.3	S789	P716-S789 PolarHBondContact O-OG 2.87Å
717	F	63.5	Low	75.3	Confident	107 Å²	107	38.5 Å²	38.5	47%	0.469	24%	0.244	S	C	.	.	S	Bend	trans	-127.6	110.8	178	-44.4	-70.4	0	0	0	107.8	L715 S789 I801	L715-F717 PolarHBondContact O-N 2.99Å; L715-F717 VanDerWaalsContact O-N 3.11Å; F717-S789 WeakPolarHBondContact CE1-OG 3.46Å; F717-I801 HydrophobicContact CE2-CD1 3.76Å; F717-I801 HydrophobicContact CZ-CD1 3.74Å
718	G	61	Low	75.7	Confident	61 Å²	61	40.7 Å²	40.7	63%	0.629	26%	0.261	S	S	*	.	S	Bend	trans	163.3	-145.2	-173.5	0	0	0	0	0	111.5
719	E	64.7	Low	76	Confident	133 Å²	133	39 Å²	39	62%	0.621	25%	0.245	S	C	*	.			trans	-66.6	154.3	177.6	-67.4	-167	163.8	0	0	112.4	S721 T722 T723	E719-S721 VanDerWaalsContact CB-OG 3.26Å; E719-S721 WeakPolarHBondContact CB-OG 3.32Å; E719-S721 PolarHBondContact O-N 2.74Å; E719-S721 PolarHBondContact OE2-OG 3.37Å; E719-T722 PolarHBondContact O-N 3.41Å; E719-T722 PolarHBondContact O-OG1 2.97Å; E719-T723 WeakPolarHBondContact O-CB 3.34Å; E719-T723 PolarHBondContact O-N 3.06Å; E719-T723 VanDerWaalsContact O-N 3.07Å; E719-T723 PolarHBondContact O-OG1 3.26Å
720	P	68	Low	75.8	Confident	118 Å²	118	40 Å²	40	77%	0.766	25%	0.249	S	C	*	.	H	α-helix	trans	-63.4	-25.7	178.5	25.1	-34.6	0	0	0	113	G724	P720-G724 PolarHBondContact O-N 3.39Å
721	S	70.9	Confident	75.6	Confident	60 Å²	60	45.3 Å²	45.3	42%	0.42	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-62.2	171.7	43.5	0	0	0	0	111.9	E719 T723 G724 Y725	E719-S721 VanDerWaalsContact CB-OG 3.26Å; E719-S721 WeakPolarHBondContact CB-OG 3.32Å; E719-S721 PolarHBondContact O-N 2.74Å; E719-S721 PolarHBondContact OE2-OG 3.37Å; S721-T723 VanDerWaalsContact C-N 3.29Å; S721-T723 PolarHBondContact O-N 3.27Å; S721-G724 PolarHBondContact O-N 2.92Å; S721-G724 VanDerWaalsContact O-N 3.15Å; S721-Y725 PolarHBondContact O-N 3.27Å
722	T	71.3	Confident	75.6	Confident	15 Å²	15	47.7 Å²	47.7	9%	0.092	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-36.9	-177.8	64.1	0	0	0	0	111.6	E705 E719 Y725 M726	E705-T722 HydrophobicContact CB-CG2 4.21Å; E705-T722 HydrophobicContact CG-CG2 3.91Å; E719-T722 PolarHBondContact O-N 3.41Å; E719-T722 PolarHBondContact O-OG1 2.97Å; T722-Y725 PolarHBondContact O-N 3.01Å; T722-M726 PolarHBondContact O-N 3.25Å; T722-M726 VanDerWaalsContact O-N 3.07Å
723	T	73.6	Confident	75.4	Confident	39 Å²	39	48.1 Å²	48.1	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-43.5	175.4	-52.3	0	0	0	0	111	E719 S721 M726 V727	E719-T723 WeakPolarHBondContact O-CB 3.34Å; E719-T723 PolarHBondContact O-N 3.06Å; E719-T723 VanDerWaalsContact O-N 3.07Å; E719-T723 PolarHBondContact O-OG1 3.26Å; S721-T723 VanDerWaalsContact C-N 3.29Å; S721-T723 PolarHBondContact O-N 3.27Å; T723-M726 PolarHBondContact O-N 2.97Å; T723-V727 WeakPolarHBondContact O-CG2 3.47Å; T723-V727 PolarHBondContact O-N 2.97Å
724	G	76.6	Confident	75.3	Confident	41 Å²	41	48.7 Å²	48.7	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.4	0	0	0	0	0	113.5	P720 S721 V727 A728	P720-G724 PolarHBondContact O-N 3.39Å; S721-G724 PolarHBondContact O-N 2.92Å; S721-G724 VanDerWaalsContact O-N 3.15Å; G724-V727 PolarHBondContact O-N 2.94Å; G724-A728 WeakPolarHBondContact O-CB 3.42Å; G724-A728 PolarHBondContact O-N 3.23Å
725	Y	83.5	Confident	75.8	Confident	32 Å²	32	53.1 Å²	53.1	13%	0.125	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-49	174.1	171.8	-94.1	0	0	0	111.6	I645 M695 V698 P699 P714 S721 T722 V727 A728 L729	I645-Y725 HydrophobicContact CD1-CE1 4.15Å; M695-Y725 PolarHBondContact O-OH 3.43Å; V698-Y725 HydrophobicContact CB-CD2 4.41Å; V698-Y725 HydrophobicContact CB-CE2 4.01Å; V698-Y725 HydrophobicContact CG1-CD2 3.79Å; V698-Y725 HydrophobicContact CG1-CE2 3.9Å; P699-Y725 HydrophobicContact CG-CD1 4.31Å; P699-Y725 HydrophobicContact CG-CD2 4.4Å; P699-Y725 HydrophobicContact CG-CE1 3.73Å; P699-Y725 HydrophobicContact CG-CE2 3.81Å; P699-Y725 VanDerWaalsContact CG-CZ 3.42Å; P714-Y725 HydrophobicContact CG-CD1 4.41Å; P714-Y725 HydrophobicContact CG-CE1 4.09Å; S721-Y725 PolarHBondContact O-N 3.27Å; T722-Y725 PolarHBondContact O-N 3.01Å; Y725-V727 PolarHBondContact O-N 3.31Å; Y725-A728 PolarHBondContact O-N 2.93Å; Y725-L729 HydrophobicContact CE1-CD2 4.26Å; Y725-L729 PolarHBondContact O-N 3.39Å
726	M	78.1	Confident	76.4	Confident	22 Å²	22	52.9 Å²	52.9	11%	0.108	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-46.2	179.1	-77.8	-62.8	-76.7	0	0	112.3	P714 T722 T723 A728 L729 I730	P714-M726 HydrophobicContact CB-CG 4.06Å; P714-M726 HydrophobicContact CB-SD 3.98Å; P714-M726 HydrophobicContact CG-CG 4.36Å; P714-M726 HydrophobicContact CG-SD 3.64Å; P714-M726 WeakPolarHBondContact O-CE 3.39Å; T722-M726 PolarHBondContact O-N 3.25Å; T722-M726 VanDerWaalsContact O-N 3.07Å; T723-M726 PolarHBondContact O-N 2.97Å; M726-A728 VanDerWaalsContact C-N 3.31Å; M726-A728 PolarHBondContact O-N 3.48Å; M726-L729 PolarHBondContact O-N 2.94Å; M726-I730 HydrophobicContact CB-CD1 4.45Å; M726-I730 HydrophobicContact CE-CD1 4.07Å; M726-I730 WeakPolarHBondContact O-CD1 3.48Å; M726-I730 PolarHBondContact O-N 3.41Å
727	V	77.7	Confident	77.3	Confident	38 Å²	38	53.1 Å²	53.1	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-41.7	177.3	171.2	0	0	0	0	111.2	T723 G724 Y725 I730 L731 L790	T723-V727 WeakPolarHBondContact O-CG2 3.47Å; T723-V727 PolarHBondContact O-N 2.97Å; G724-V727 PolarHBondContact O-N 2.94Å; Y725-V727 PolarHBondContact O-N 3.31Å; V727-I730 PolarHBondContact O-N 3.42Å; V727-L731 HydrophobicContact CG1-CD1 3.86Å; V727-L731 HydrophobicContact CG1-CG 4.4Å; V727-L731 WeakPolarHBondContact O-CB 3.45Å; V727-L731 VanDerWaalsContact O-CG 3.24Å; V727-L731 WeakPolarHBondContact O-CG 3.31Å; V727-L731 PolarHBondContact O-N 2.9Å; V727-L790 HydrophobicContact CG1-CD1 4.4Å; V727-L790 HydrophobicContact CG2-CD1 4.03Å
728	A	83.2	Confident	78.1	Confident	58 Å²	58	52.5 Å²	52.5	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-44.1	176.2	0	0	0	0	0	112.7	G724 Y725 M726 I730 L731 L732	G724-A728 WeakPolarHBondContact O-CB 3.42Å; G724-A728 PolarHBondContact O-N 3.23Å; Y725-A728 PolarHBondContact O-N 2.93Å; M726-A728 VanDerWaalsContact C-N 3.31Å; M726-A728 PolarHBondContact O-N 3.48Å; A728-I730 PolarHBondContact O-N 2.88Å; A728-L731 PolarHBondContact O-N 3.39Å; A728-L732 WeakPolarHBondContact O-CB 3.44Å; A728-L732 PolarHBondContact O-N 3.47Å
729	L	83.7	Confident	79.2	Confident	16 Å²	16	53.5 Å²	53.5	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178.4	-164.4	72	0	0	0	111.8	I645 E649 M695 Y725 M726 L732 N733	I645-L729 HydrophobicContact CD1-CD2 4.28Å; I645-L729 HydrophobicContact CG2-CD2 4.41Å; E649-L729 HydrophobicContact CG-CD1 3.97Å; E649-L729 WeakPolarHBondContact OE2-CD1 3.49Å; M695-L729 HydrophobicContact CE-CD1 4.14Å; M695-L729 HydrophobicContact SD-CD1 4.24Å; Y725-L729 HydrophobicContact CE1-CD2 4.26Å; Y725-L729 PolarHBondContact O-N 3.39Å; M726-L729 PolarHBondContact O-N 2.94Å; L729-L732 PolarHBondContact O-N 2.95Å; L729-N733 WeakPolarHBondContact O-CB 3.48Å; L729-N733 PolarHBondContact O-N 2.75Å; L729-N733 PolarHBondContact O-ND2 3.06Å
730	I	79.4	Confident	79.8	Confident	20 Å²	20	47.5 Å²	47.5	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-37.3	179	-74.4	140.3	0	0	0	112	M726 V727 A728 S734 Y779 S786	M726-I730 HydrophobicContact CB-CD1 4.45Å; M726-I730 HydrophobicContact CE-CD1 4.07Å; M726-I730 WeakPolarHBondContact O-CD1 3.48Å; M726-I730 PolarHBondContact O-N 3.41Å; V727-I730 PolarHBondContact O-N 3.42Å; A728-I730 PolarHBondContact O-N 2.88Å; I730-S734 VanDerWaalsContact O-CB 3.32Å; I730-S734 WeakPolarHBondContact O-CB 3.37Å; I730-S734 PolarHBondContact O-N 3.24Å; I730-S734 PolarHBondContact O-OG 2.97Å; I730-Y779 PolarHBondContact O-OH 2.96Å; I730-S786 WeakPolarHBondContact CD1-OG 3.48Å
731	L	82.7	Confident	80.2	Confident	113 Å²	113	44.9 Å²	44.9	59%	0.592	26%	0.264	S	S	*	.	H	α-helix	trans	-65.5	-40.8	173.8	-73.5	171.4	0	0	0	112.1	V727 A728 S734 L735	V727-L731 HydrophobicContact CG1-CD1 3.86Å; V727-L731 HydrophobicContact CG1-CG 4.4Å; V727-L731 WeakPolarHBondContact O-CB 3.45Å; V727-L731 VanDerWaalsContact O-CG 3.24Å; V727-L731 WeakPolarHBondContact O-CG 3.31Å; V727-L731 PolarHBondContact O-N 2.9Å; A728-L731 PolarHBondContact O-N 3.39Å; L731-S734 WeakPolarHBondContact O-CB 3.37Å; L731-S734 PolarHBondContact O-N 3.37Å; L731-L735 PolarHBondContact O-N 3.03Å
732	L	86.7	Confident	80.5	Confident	54 Å²	54	45.3 Å²	45.3	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-45	177.1	-179	61.2	0	0	0	112.1	F653 M695 A728 L729 S734 L735 C736	F653-L732 HydrophobicContact CE1-CD2 4.24Å; F653-L732 HydrophobicContact CE1-CG 4.38Å; F653-L732 HydrophobicContact CZ-CD2 3.98Å; M695-L732 HydrophobicContact CE-CD2 3.95Å; M695-L732 HydrophobicContact SD-CD2 3.39Å; M695-L732 WeakPolarHBondContact SD-CD2 3.45Å; A728-L732 WeakPolarHBondContact O-CB 3.44Å; A728-L732 PolarHBondContact O-N 3.47Å; L729-L732 PolarHBondContact O-N 2.95Å; L732-S734 VanDerWaalsContact C-N 3.34Å; L732-S734 PolarHBondContact O-N 3.39Å; L732-L735 WeakPolarHBondContact O-CB 3.37Å; L732-L735 PolarHBondContact O-N 3.45Å; L732-C736 PolarHBondContact O-N 3.09Å; L732-C736 PolarHBondContact O-SG 3.35Å
733	N	84.2	Confident	80.7	Confident	9 Å²	9	45 Å²	45	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-43.1	173.5	-84.1	-60.2	0	0	0	111.6	E649 V652 L729 L735 C736 F737 Y779	E649-N733 VanDerWaalsContact CD-ND2 3.27Å; E649-N733 PolarHBondContact OE1-ND2 3.23Å; E649-N733 PolarHBondContact OE2-ND2 3.44Å; V652-N733 WeakPolarHBondContact CB-OD1 3.26Å; V652-N733 VanDerWaalsContact CG1-OD1 3.32Å; V652-N733 WeakPolarHBondContact CG1-OD1 3.34Å; V652-N733 WeakPolarHBondContact CG2-OD1 3.31Å; L729-N733 WeakPolarHBondContact O-CB 3.48Å; L729-N733 PolarHBondContact O-N 2.75Å; L729-N733 PolarHBondContact O-ND2 3.06Å; N733-L735 VanDerWaalsContact C-N 3.31Å; N733-L735 PolarHBondContact O-N 2.86Å; N733-C736 WeakPolarHBondContact O-CA 3.31Å; N733-C736 WeakPolarHBondContact O-CB 3.47Å; N733-C736 PolarHBondContact O-N 2.73Å; N733-F737 WeakPolarHBondContact O-CD2 3.31Å; N733-F737 PolarHBondContact O-N 2.98Å; N733-Y779 HydrophobicContact CB-CE2 4.28Å; N733-Y779 VanDerWaalsContact CB-OH 3.22Å; N733-Y779 WeakPolarHBondContact CB-OH 3.27Å
734	S	82.5	Confident	80.6	Confident	40 Å²	40	45 Å²	45	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-40	175.1	-59.9	0	0	0	0	112.5	I730 L731 L732 F737 L738	I730-S734 VanDerWaalsContact O-CB 3.32Å; I730-S734 WeakPolarHBondContact O-CB 3.37Å; I730-S734 PolarHBondContact O-N 3.24Å; I730-S734 PolarHBondContact O-OG 2.97Å; L731-S734 WeakPolarHBondContact O-CB 3.37Å; L731-S734 PolarHBondContact O-N 3.37Å; L732-S734 VanDerWaalsContact C-N 3.34Å; L732-S734 PolarHBondContact O-N 3.39Å; S734-F737 PolarHBondContact O-N 3.4Å; S734-L738 WeakPolarHBondContact O-CB 3.48Å; S734-L738 PolarHBondContact O-N 2.99Å
735	L	85.9	Confident	80.4	Confident	96 Å²	96	46.7 Å²	46.7	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-38.9	173.2	179	62.3	0	0	0	111.9	L731 L732 N733 L738 M739	L731-L735 PolarHBondContact O-N 3.03Å; L732-L735 WeakPolarHBondContact O-CB 3.37Å; L732-L735 PolarHBondContact O-N 3.45Å; N733-L735 VanDerWaalsContact C-N 3.31Å; N733-L735 PolarHBondContact O-N 2.86Å; L735-L738 PolarHBondContact O-N 3.38Å; L735-M739 HydrophobicContact CD1-CG 4.49Å; L735-M739 WeakPolarHBondContact O-CB 3.46Å; L735-M739 WeakPolarHBondContact O-CG 3.31Å; L735-M739 PolarHBondContact O-N 3.13Å
736	C	85.3	Confident	79.8	Confident	14 Å²	14	51.5 Å²	51.5	10%	0.095	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-44.8	175.1	-66.1	0	0	0	0	111.9	V652 T656 L732 N733 L738 M739 M740	V652-C736 HydrophobicContact CG1-CB 3.57Å; T656-C736 WeakPolarHBondContact OG1-CB 3.08Å; L732-C736 PolarHBondContact O-N 3.09Å; L732-C736 PolarHBondContact O-SG 3.35Å; N733-C736 WeakPolarHBondContact O-CA 3.31Å; N733-C736 WeakPolarHBondContact O-CB 3.47Å; N733-C736 PolarHBondContact O-N 2.73Å; C736-L738 PolarHBondContact O-N 2.9Å; C736-M739 PolarHBondContact O-N 2.72Å; C736-M740 WeakPolarHBondContact O-CG 3.22Å; C736-M740 PolarHBondContact O-N 3.38Å
737	F	80	Confident	79.3	Confident	30 Å²	30	51.2 Å²	51.2	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-37.7	173.7	-74.9	-68.9	0	0	0	113	V652 N733 S734 M740 T741 N775 Y779	V652-F737 HydrophobicContact CG1-CE2 4.42Å; V652-F737 HydrophobicContact CG2-CE2 4.37Å; V652-F737 HydrophobicContact CG2-CZ 4.22Å; N733-F737 WeakPolarHBondContact O-CD2 3.31Å; N733-F737 PolarHBondContact O-N 2.98Å; S734-F737 PolarHBondContact O-N 3.4Å; F737-M740 HydrophobicContact CD1-CE 3.55Å; F737-M740 HydrophobicContact CE1-CE 3.73Å; F737-M740 HydrophobicContact CG-CE 4.11Å; F737-M740 HydrophobicContact CZ-CE 4.43Å; F737-T741 WeakPolarHBondContact O-CB 3.41Å; F737-T741 PolarHBondContact O-N 3.48Å; F737-T741 PolarHBondContact O-OG1 3.39Å; F737-N775 HydrophobicContact CE1-CB 4.44Å; F737-Y779 AromaticContact CD2-CD1 3.69Å; F737-Y779 HydrophobicContact CD2-CD1 3.69Å; F737-Y779 HydrophobicContact CD2-CD2 4.11Å; F737-Y779 AromaticContact CD2-CE1 3.93Å; F737-Y779 HydrophobicContact CD2-CE1 3.93Å; F737-Y779 HydrophobicContact CD2-CE2 4.33Å; F737-Y779 AromaticContact CD2-CG 3.79Å; F737-Y779 HydrophobicContact CD2-CG 3.79Å; F737-Y779 AromaticContact CE2-CD1 3.91Å; F737-Y779 HydrophobicContact CE2-CD1 3.91Å; F737-Y779 AromaticContact CE2-CD2 3.43Å; F737-Y779 HydrophobicContact CE2-CD2 3.43Å; F737-Y779 VanDerWaalsContact CE2-CD2 3.43Å; F737-Y779 HydrophobicContact CE2-CE1 4.18Å; F737-Y779 AromaticContact CE2-CE2 3.74Å; F737-Y779 HydrophobicContact CE2-CE2 3.74Å; F737-Y779 AromaticContact CE2-CG 3.53Å; F737-Y779 HydrophobicContact CE2-CG 3.53Å; F737-Y779 HydrophobicContact CG-CD1 4.49Å; F737-Y779 HydrophobicContact CZ-CD2 4.05Å; F737-Y779 HydrophobicContact CZ-CG 4.14Å
738	L	82.3	Confident	78.8	Confident	94 Å²	94	55.2 Å²	55.2	49%	0.492	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-44.9	172.5	179.9	61.6	0	0	0	111.6	S734 L735 C736 T741 I742	S734-L738 WeakPolarHBondContact O-CB 3.48Å; S734-L738 PolarHBondContact O-N 2.99Å; L735-L738 PolarHBondContact O-N 3.38Å; C736-L738 PolarHBondContact O-N 2.9Å; L738-T741 PolarHBondContact O-N 2.99Å; L738-I742 HydrophobicContact CD1-CD1 3.91Å; L738-I742 HydrophobicContact CD1-CG1 4.3Å; L738-I742 HydrophobicContact CG-CD1 3.89Å; L738-I742 VanDerWaalsContact O-CG1 3.31Å; L738-I742 WeakPolarHBondContact O-CG1 3.31Å; L738-I742 PolarHBondContact O-N 3.38Å
739	M	82.8	Confident	78	Confident	81 Å²	81	55.2 Å²	55.2	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177.9	-74.7	-63	-67.1	0	0	112.7	T656 L660 L735 C736 I742 A743	T656-M739 HydrophobicContact CG2-CB 4.32Å; L660-M739 HydrophobicContact CD2-CE 4.42Å; L735-M739 HydrophobicContact CD1-CG 4.49Å; L735-M739 WeakPolarHBondContact O-CB 3.46Å; L735-M739 WeakPolarHBondContact O-CG 3.31Å; L735-M739 PolarHBondContact O-N 3.13Å; C736-M739 PolarHBondContact O-N 2.72Å; M739-I742 PolarHBondContact O-N 3.19Å; M739-A743 WeakPolarHBondContact O-CB 3.23Å; M739-A743 PolarHBondContact O-N 2.91Å
740	M	77.5	Confident	77.1	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-49.8	170.8	-76	-169.6	-88.7	0	0	111.2	V652 L655 T656 A659 C736 F737 I742 A743 Y744 L772	V652-M740 HydrophobicContact CG1-CE 4.17Å; L655-M740 HydrophobicContact CB-CE 4.41Å; L655-M740 HydrophobicContact CB-SD 3.74Å; T656-M740 HydrophobicContact CG2-CG 4.2Å; T656-M740 WeakPolarHBondContact OG1-CE 3.42Å; A659-M740 HydrophobicContact CB-CB 4.26Å; A659-M740 HydrophobicContact CB-CG 3.86Å; C736-M740 WeakPolarHBondContact O-CG 3.22Å; C736-M740 PolarHBondContact O-N 3.38Å; F737-M740 HydrophobicContact CD1-CE 3.55Å; F737-M740 HydrophobicContact CE1-CE 3.73Å; F737-M740 HydrophobicContact CG-CE 4.11Å; F737-M740 HydrophobicContact CZ-CE 4.43Å; M740-I742 PolarHBondContact O-N 3.4Å; M740-A743 PolarHBondContact O-N 3.5Å; M740-Y744 VanDerWaalsContact O-CD2 3.28Å; M740-Y744 WeakPolarHBondContact O-CD2 3.49Å; M740-Y744 PolarHBondContact O-N 3.49Å; M740-L772 HydrophobicContact CB-CD2 4.48Å
741	T	75.7	Confident	76.2	Confident	64 Å²	64	59.4 Å²	59.4	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-48.7	179.5	-56.5	0	0	0	0	111	F737 L738 A743 Y744 T745	F737-T741 WeakPolarHBondContact O-CB 3.41Å; F737-T741 PolarHBondContact O-N 3.48Å; F737-T741 PolarHBondContact O-OG1 3.39Å; L738-T741 PolarHBondContact O-N 2.99Å; T741-A743 PolarHBondContact O-N 3.17Å; T741-Y744 PolarHBondContact O-N 2.82Å; T741-T745 WeakPolarHBondContact O-CB 3.23Å; T741-T745 PolarHBondContact O-N 3.09Å; T741-T745 PolarHBondContact O-OG1 3.03Å
742	I	79	Confident	74.9	Confident	68 Å²	68	59.9 Å²	59.9	35%	0.349	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-40	178.2	-69.2	167.7	0	0	0	111.9	L738 M739 M740 K746	L738-I742 HydrophobicContact CD1-CD1 3.91Å; L738-I742 HydrophobicContact CD1-CG1 4.3Å; L738-I742 HydrophobicContact CG-CD1 3.89Å; L738-I742 VanDerWaalsContact O-CG1 3.31Å; L738-I742 WeakPolarHBondContact O-CG1 3.31Å; L738-I742 PolarHBondContact O-N 3.38Å; M739-I742 PolarHBondContact O-N 3.19Å; M740-I742 PolarHBondContact O-N 3.4Å; I742-K746 HydrophobicContact CG2-CD 4.04Å; I742-K746 WeakPolarHBondContact O-CB 3.49Å; I742-K746 WeakPolarHBondContact O-CD 3.45Å; I742-K746 VanDerWaalsContact O-CG 3.28Å; I742-K746 WeakPolarHBondContact O-CG 3.44Å; I742-K746 PolarHBondContact O-N 3.4Å; I742-K746 VanDerWaalsContact O-N 3.11Å
743	A	74.4	Confident	73.4	Confident	10 Å²	10	65.7 Å²	65.7	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-45.9	178.8	0	0	0	0	0	111.7	A659 L660 M739 M740 T741 K746 L747	A659-A743 HydrophobicContact CB-CB 4.16Å; L660-A743 HydrophobicContact CD2-CB 4.25Å; M739-A743 WeakPolarHBondContact O-CB 3.23Å; M739-A743 PolarHBondContact O-N 2.91Å; M740-A743 PolarHBondContact O-N 3.5Å; T741-A743 PolarHBondContact O-N 3.17Å; A743-K746 PolarHBondContact O-N 3.5Å; A743-L747 PolarHBondContact O-N 3Å
744	Y	71.8	Confident	72	Confident	37 Å²	37	67.5 Å²	67.5	15%	0.145	36%	0.356	C	S	.	.	H	α-helix	trans	-78.8	-32.3	-178.5	-74.9	-67.2	0	0	0	114	A659 M740 T741 K746 L747 Y748 I768 L772	A659-Y744 VanDerWaalsContact CA-CE2 3.49Å; A659-Y744 HydrophobicContact CB-CD2 3.67Å; A659-Y744 HydrophobicContact CB-CE2 3.17Å; M740-Y744 VanDerWaalsContact O-CD2 3.28Å; M740-Y744 WeakPolarHBondContact O-CD2 3.49Å; M740-Y744 PolarHBondContact O-N 3.49Å; T741-Y744 PolarHBondContact O-N 2.82Å; Y744-K746 VanDerWaalsContact C-N 3.29Å; Y744-K746 PolarHBondContact O-N 3.46Å; Y744-L747 HydrophobicContact CD1-CD2 3.8Å; Y744-L747 HydrophobicContact CE1-CD2 4.15Å; Y744-L747 WeakPolarHBondContact O-CB 3.49Å; Y744-L747 PolarHBondContact O-N 3.41Å; Y744-Y748 PolarHBondContact O-N 2.92Å; Y744-I768 HydrophobicContact CD1-CG2 3.73Å; Y744-I768 HydrophobicContact CE1-CG2 3.36Å; Y744-L772 HydrophobicContact CD1-CD1 3.81Å; Y744-L772 HydrophobicContact CD2-CD1 3.16Å; Y744-L772 HydrophobicContact CD2-CD2 3.46Å; Y744-L772 VanDerWaalsContact CD2-CD2 3.46Å; Y744-L772 HydrophobicContact CD2-CG 3.9Å; Y744-L772 HydrophobicContact CE1-CD1 4.23Å; Y744-L772 HydrophobicContact CE2-CD1 3.6Å; Y744-L772 HydrophobicContact CE2-CD2 3.52Å; Y744-L772 HydrophobicContact CE2-CG 4.05Å; Y744-L772 HydrophobicContact CG-CD1 3.24Å; Y744-L772 HydrophobicContact CG-CD2 4.41Å; Y744-L772 HydrophobicContact CG-CG 4.42Å
745	T	71.9	Confident	70.2	Confident	78 Å²	78	73.7 Å²	73.7	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-39	168	-60.9	0	0	0	0	110.7	T741 Y748 C749	T741-T745 WeakPolarHBondContact O-CB 3.23Å; T741-T745 PolarHBondContact O-N 3.09Å; T741-T745 PolarHBondContact O-OG1 3.03Å; T745-Y748 PolarHBondContact O-N 3.41Å; T745-C749 WeakPolarHBondContact O-CB 3.4Å; T745-C749 PolarHBondContact O-N 2.92Å; T745-C749 PolarHBondContact O-SG 3.03Å
746	K	70.7	Confident	68.4	Low	132 Å²	132	73.8 Å²	73.8	57%	0.574	39%	0.387	S	S	*	.	H	α-helix	trans	-66.3	-35	172.2	-76.4	169.6	-179.1	165	0	112.7	I742 A743 Y744 N750	I742-K746 HydrophobicContact CG2-CD 4.04Å; I742-K746 WeakPolarHBondContact O-CB 3.49Å; I742-K746 WeakPolarHBondContact O-CD 3.45Å; I742-K746 VanDerWaalsContact O-CG 3.28Å; I742-K746 WeakPolarHBondContact O-CG 3.44Å; I742-K746 PolarHBondContact O-N 3.4Å; I742-K746 VanDerWaalsContact O-N 3.11Å; A743-K746 PolarHBondContact O-N 3.5Å; Y744-K746 VanDerWaalsContact C-N 3.29Å; Y744-K746 PolarHBondContact O-N 3.46Å; K746-N750 WeakPolarHBondContact O-CB 3.39Å; K746-N750 PolarHBondContact O-N 3.34Å; K746-N750 PolarHBondContact O-ND2 2.97Å
747	L	68.8	Low	66.5	Low	16 Å²	16	82.3 Å²	82.3	8%	0.084	43%	0.425	C	S	.	.	H	α-helix	trans	-61.4	-50.2	172.5	-170.9	70.8	0	0	0	110.5	V666 A743 Y744 N750 L751	V666-L747 HydrophobicContact CB-CD1 4.05Å; V666-L747 HydrophobicContact CG2-CD1 3.52Å; A743-L747 PolarHBondContact O-N 3Å; Y744-L747 HydrophobicContact CD1-CD2 3.8Å; Y744-L747 HydrophobicContact CE1-CD2 4.15Å; Y744-L747 WeakPolarHBondContact O-CB 3.49Å; Y744-L747 PolarHBondContact O-N 3.41Å; L747-N750 PolarHBondContact O-N 3.49Å; L747-L751 HydrophobicContact CG-CD1 4.34Å; L747-L751 WeakPolarHBondContact O-CD1 3.38Å; L747-L751 WeakPolarHBondContact O-CG 3.12Å; L747-L751 PolarHBondContact O-N 3.39Å
748	Y	66.4	Low	65.1	Low	122 Å²	122	85.4 Å²	85.4	48%	0.478	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-52.8	179.3	-167.2	-81.4	0	0	0	112.3	Y744 T745 N750 L751 D752 V765	Y744-Y748 PolarHBondContact O-N 2.92Å; T745-Y748 PolarHBondContact O-N 3.41Å; Y748-N750 PolarHBondContact O-N 3Å; Y748-N750 VanDerWaalsContact O-N 3.07Å; Y748-L751 WeakPolarHBondContact O-CB 3.16Å; Y748-L751 PolarHBondContact O-N 3.27Å; Y748-D752 PolarHBondContact O-N 3.37Å; Y748-V765 HydrophobicContact CD2-CG1 4.15Å
749	C	66.9	Low	63.3	Low	59 Å²	59	88 Å²	88	40%	0.399	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-6.5	-178.9	-62.2	0	0	0	0	114.9	T745	T745-C749 WeakPolarHBondContact O-CB 3.4Å; T745-C749 PolarHBondContact O-N 2.92Å; T745-C749 PolarHBondContact O-SG 3.03Å
750	N	64.1	Low	61.5	Low	77 Å²	77	93.3 Å²	93.3	41%	0.412	47%	0.471	S	S	.	.	H	α-helix	trans	-94.3	-25.5	169.3	-72.2	-22.2	0	0	0	112.3	K746 L747 Y748 K753	K746-N750 WeakPolarHBondContact O-CB 3.39Å; K746-N750 PolarHBondContact O-N 3.34Å; K746-N750 PolarHBondContact O-ND2 2.97Å; L747-N750 PolarHBondContact O-N 3.49Å; Y748-N750 PolarHBondContact O-N 3Å; Y748-N750 VanDerWaalsContact O-N 3.07Å; N750-K753 PolarHBondContact O-N 2.74Å
751	L	60.9	Low	60.4	Low	47 Å²	47	97 Å²	97	25%	0.246	49%	0.491	C	S	.	.	H	α-helix	trans	-72	-34.3	176.6	-73.3	156.4	0	0	0	111.7	L747 Y748 K753 L756 V765	L747-L751 HydrophobicContact CG-CD1 4.34Å; L747-L751 WeakPolarHBondContact O-CD1 3.38Å; L747-L751 WeakPolarHBondContact O-CG 3.12Å; L747-L751 PolarHBondContact O-N 3.39Å; Y748-L751 WeakPolarHBondContact O-CB 3.16Å; Y748-L751 PolarHBondContact O-N 3.27Å; L751-K753 PolarHBondContact O-N 2.99Å; L751-L756 HydrophobicContact CD2-CD1 4.48Å; L751-V765 HydrophobicContact CD1-CB 4.23Å; L751-V765 HydrophobicContact CD1-CG1 3.79Å; L751-V765 HydrophobicContact CD1-CG2 3.48Å; L751-V765 VanDerWaalsContact CD1-CG2 3.48Å
752	D	54.5	Low	59.2	Low	122 Å²	122	96.2 Å²	96.2	65%	0.652	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	5.4	169.8	-84.4	-21.9	0	0	0	114.1	Y748	Y748-D752 PolarHBondContact O-N 3.37Å
753	K	56.1	Low	57.9	Low	176 Å²	176	96.9 Å²	96.9	77%	0.765	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	13.4	-172.4	-64.9	-172.7	178.4	-178.3	0	115.1	N750 L751	N750-K753 PolarHBondContact O-N 2.74Å; L751-K753 PolarHBondContact O-N 2.99Å
754	G	53.9	Low	57	Low	47 Å²	47	100.6 Å²	100.6	49%	0.485	52%	0.515	S	S	.	.	S	Bend	trans	-134.7	143.2	172.2	0	0	0	0	0	111.1	L756	G754-L756 PolarHBondContact O-N 2.95Å
755	D	45.6	Very low	56.3	Low	171 Å²	171	100 Å²	100	91%	0.914	52%	0.516	S	S	*	.			trans	-62.1	123.7	177.2	-65.2	-61.6	0	0	0	110.7	E757	D755-E757 PolarHBondContact O-N 3.26Å
756	L	47.3	Very low	55.7	Low	98 Å²	98	102.7 Å²	102.7	51%	0.513	52%	0.521	S	S	.	.			trans	-105	73.4	-159.1	-150.2	89.9	0	0	0	112.5	L751 G754 N758 C762	L751-L756 HydrophobicContact CD2-CD1 4.48Å; G754-L756 PolarHBondContact O-N 2.95Å; L756-N758 PolarHBondContact O-N 3.43Å; L756-C762 HydrophobicContact CD2-CB 4.48Å
757	E	46.4	Very low	55.2	Low	193 Å²	193	98.2 Å²	98.2	90%	0.902	50%	0.502	S	S	*	.			trans	-70.1	-10.6	-179.4	-69.7	-162.1	134.1	0	0	114.8	D755	D755-E757 PolarHBondContact O-N 3.26Å
758	N	49.3	Very low	55	Low	95 Å²	95	99 Å²	99	51%	0.508	51%	0.505	S	S	.	.			trans	-111.1	106.3	179.2	-83.2	-56.6	0	0	0	113.5	L756 W760	L756-N758 PolarHBondContact O-N 3.43Å; N758-W760 PolarHBondContact O-N 3.32Å; N758-W760 VanDerWaalsContact O-N 3.11Å
759	I	44.5	Very low	54.7	Low	147 Å²	147	95.1 Å²	95.1	75%	0.754	50%	0.499	S	S	*	.	H	α-helix	trans	-55.4	-27.5	172.9	-66.8	168.9	0	0	0	112.4
760	W	46.7	Very low	54.6	Low	193 Å²	193	96.5 Å²	96.5	73%	0.731	50%	0.502	S	S	*	.	H	α-helix	trans	-69.7	-41.5	-172.4	-61.3	98.4	0	0	0	114.3	N758 C762 S763 M764	N758-W760 PolarHBondContact O-N 3.32Å; N758-W760 VanDerWaalsContact O-N 3.11Å; W760-C762 VanDerWaalsContact C-N 3.28Å; W760-C762 PolarHBondContact O-N 2.85Å; W760-S763 WeakPolarHBondContact O-CB 3.48Å; W760-S763 PolarHBondContact O-N 3.34Å; W760-S763 VanDerWaalsContact O-N 3.12Å; W760-M764 PolarHBondContact O-N 3.45Å
761	D	52.6	Low	54.6	Low	85 Å²	85	94.4 Å²	94.4	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-35.4	-178.1	-71.8	-62.8	0	0	0	111.9	S763 M764 V765	D761-S763 PolarHBondContact O-N 3.32Å; D761-M764 PolarHBondContact O-N 2.96Å; D761-V765 WeakPolarHBondContact O-CB 3.42Å; D761-V765 VanDerWaalsContact O-CG2 3.22Å; D761-V765 WeakPolarHBondContact O-CG2 3.1Å; D761-V765 PolarHBondContact O-N 3.02Å
762	C	50.7	Low	54.7	Low	47 Å²	47	93.9 Å²	93.9	32%	0.318	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-33.6	176.5	-168.6	0	0	0	0	112.5	L756 W760 K766	L756-C762 HydrophobicContact CD2-CB 4.48Å; W760-C762 VanDerWaalsContact C-N 3.28Å; W760-C762 PolarHBondContact O-N 2.85Å; C762-K766 WeakPolarHBondContact O-CB 3.49Å; C762-K766 WeakPolarHBondContact O-CD 3.41Å; C762-K766 VanDerWaalsContact O-CG 3.27Å; C762-K766 WeakPolarHBondContact O-CG 3.27Å; C762-K766 PolarHBondContact O-N 2.94Å; C762-K766 VanDerWaalsContact O-N 3.13Å; C762-K766 VanDerWaalsContact SG-CE 3.56Å; C762-K766 PolarHBondContact SG-NZ 3.48Å
763	S	53	Low	55.3	Low	83 Å²	83	94.4 Å²	94.4	58%	0.58	48%	0.484	S	S	*	.	H	α-helix	trans	-71.3	-46.7	176.6	-169.8	0	0	0	0	111.7	W760 D761 V765 K766 H767	W760-S763 WeakPolarHBondContact O-CB 3.48Å; W760-S763 PolarHBondContact O-N 3.34Å; W760-S763 VanDerWaalsContact O-N 3.12Å; D761-S763 PolarHBondContact O-N 3.32Å; S763-V765 VanDerWaalsContact C-N 3.33Å; S763-V765 PolarHBondContact O-N 3.47Å; S763-K766 PolarHBondContact O-N 2.97Å; S763-H767 PolarHBondContact O-N 3.23Å
764	M	55	Low	55.9	Low	87 Å²	87	87.8 Å²	87.8	43%	0.429	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-41.4	178.2	-163.2	-170.8	-167.1	0	0	111.6	W760 D761 H767 I768	W760-M764 PolarHBondContact O-N 3.45Å; D761-M764 PolarHBondContact O-N 2.96Å; M764-H767 PolarHBondContact O-N 3.13Å; M764-I768 HydrophobicContact CE-CD1 4.3Å; M764-I768 HydrophobicContact CG-CD1 3.99Å; M764-I768 WeakPolarHBondContact O-CB 3.48Å; M764-I768 VanDerWaalsContact O-CG1 3.31Å; M764-I768 WeakPolarHBondContact O-CG1 3.13Å; M764-I768 PolarHBondContact O-N 3.17Å; M764-I768 HydrophobicContact SD-CD1 4.36Å
765	V	57.3	Low	56.6	Low	25 Å²	25	86 Å²	86	15%	0.152	44%	0.439	C	S	.	.	H	α-helix	trans	-64.8	-42.8	178.1	170.9	0	0	0	0	111.4	Y748 L751 D761 S763 H767 I768 A769	Y748-V765 HydrophobicContact CD2-CG1 4.15Å; L751-V765 HydrophobicContact CD1-CB 4.23Å; L751-V765 HydrophobicContact CD1-CG1 3.79Å; L751-V765 HydrophobicContact CD1-CG2 3.48Å; L751-V765 VanDerWaalsContact CD1-CG2 3.48Å; D761-V765 WeakPolarHBondContact O-CB 3.42Å; D761-V765 VanDerWaalsContact O-CG2 3.22Å; D761-V765 WeakPolarHBondContact O-CG2 3.1Å; D761-V765 PolarHBondContact O-N 3.02Å; S763-V765 VanDerWaalsContact C-N 3.33Å; S763-V765 PolarHBondContact O-N 3.47Å; V765-H767 VanDerWaalsContact C-N 3.34Å; V765-H767 PolarHBondContact O-N 2.9Å; V765-I768 PolarHBondContact O-N 3.47Å; V765-A769 VanDerWaalsContact O-CB 3.31Å; V765-A769 WeakPolarHBondContact O-CB 3.35Å; V765-A769 PolarHBondContact O-N 2.84Å
766	K	58.3	Low	57.7	Low	135 Å²	135	80.4 Å²	80.4	59%	0.587	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-39.9	174.7	-77.3	168	178.8	165.4	0	112.3	C762 S763 L770	C762-K766 WeakPolarHBondContact O-CB 3.49Å; C762-K766 WeakPolarHBondContact O-CD 3.41Å; C762-K766 VanDerWaalsContact O-CG 3.27Å; C762-K766 WeakPolarHBondContact O-CG 3.27Å; C762-K766 PolarHBondContact O-N 2.94Å; C762-K766 VanDerWaalsContact O-N 3.13Å; C762-K766 VanDerWaalsContact SG-CE 3.56Å; C762-K766 PolarHBondContact SG-NZ 3.48Å; S763-K766 PolarHBondContact O-N 2.97Å; K766-L770 WeakPolarHBondContact O-CB 3.34Å; K766-L770 PolarHBondContact O-N 3.38Å
767	H	61.8	Low	58.9	Low	38 Å²	38	79.8 Å²	79.8	18%	0.176	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-44.2	175.1	179.3	69	0	0	0	112.4	S763 M764 V765 L770 L771 L819	S763-H767 PolarHBondContact O-N 3.23Å; M764-H767 PolarHBondContact O-N 3.13Å; V765-H767 VanDerWaalsContact C-N 3.34Å; V765-H767 PolarHBondContact O-N 2.9Å; H767-L770 PolarHBondContact O-N 3.01Å; H767-L771 WeakPolarHBondContact O-CB 3.26Å; H767-L771 PolarHBondContact O-N 2.92Å; H767-L819 PolarHBondContact CE1-O 2.64Å
768	I	63	Low	60.1	Low	31 Å²	31	72.1 Å²	72.1	16%	0.159	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-45.5	175.9	-72	167	0	0	0	111.1	Y744 M764 V765 L770 L771 L772	Y744-I768 HydrophobicContact CD1-CG2 3.73Å; Y744-I768 HydrophobicContact CE1-CG2 3.36Å; M764-I768 HydrophobicContact CE-CD1 4.3Å; M764-I768 HydrophobicContact CG-CD1 3.99Å; M764-I768 WeakPolarHBondContact O-CB 3.48Å; M764-I768 VanDerWaalsContact O-CG1 3.31Å; M764-I768 WeakPolarHBondContact O-CG1 3.13Å; M764-I768 PolarHBondContact O-N 3.17Å; M764-I768 HydrophobicContact SD-CD1 4.36Å; V765-I768 PolarHBondContact O-N 3.47Å; I768-L770 PolarHBondContact O-N 3.4Å; I768-L771 PolarHBondContact O-N 3.38Å; I768-L772 HydrophobicContact CG2-CD1 3.76Å; I768-L772 VanDerWaalsContact O-CD1 3.31Å; I768-L772 WeakPolarHBondContact O-CD1 3.42Å; I768-L772 VanDerWaalsContact O-CG 3.31Å; I768-L772 WeakPolarHBondContact O-CG 3.37Å; I768-L772 PolarHBondContact O-N 2.86Å
769	A	59.7	Low	61.2	Low	42 Å²	42	69.3 Å²	69.3	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-41.8	177.6	0	0	0	0	0	112.2	V765 L772 F773	V765-A769 VanDerWaalsContact O-CB 3.31Å; V765-A769 WeakPolarHBondContact O-CB 3.35Å; V765-A769 PolarHBondContact O-N 2.84Å; A769-L772 PolarHBondContact O-N 2.92Å; A769-F773 WeakPolarHBondContact O-CB 3.49Å; A769-F773 PolarHBondContact O-N 3.23Å
770	L	65.6	Low	62.4	Low	88 Å²	88	65.8 Å²	65.8	46%	0.461	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-46.4	173.9	179	61.6	0	0	0	111.5	K766 H767 I768 L772 F773 T774	K766-L770 WeakPolarHBondContact O-CB 3.34Å; K766-L770 PolarHBondContact O-N 3.38Å; H767-L770 PolarHBondContact O-N 3.01Å; I768-L770 PolarHBondContact O-N 3.4Å; L770-L772 VanDerWaalsContact C-N 3.31Å; L770-L772 PolarHBondContact O-N 3.11Å; L770-F773 PolarHBondContact O-N 3.31Å; L770-T774 PolarHBondContact O-N 3.16Å; L770-T774 PolarHBondContact O-OG1 3.01Å; L770-T774 VanDerWaalsContact O-OG1 3.09Å
771	L	65.3	Low	63.6	Low	33 Å²	33	58.5 Å²	58.5	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-44.1	177.9	-172.3	147.8	0	0	0	110.9	H767 I768 T774 N775 N816	H767-L771 WeakPolarHBondContact O-CB 3.26Å; H767-L771 PolarHBondContact O-N 2.92Å; I768-L771 PolarHBondContact O-N 3.38Å; L771-T774 PolarHBondContact O-N 3.28Å; L771-N775 WeakPolarHBondContact CD2-ND2 3.31Å; L771-N775 PolarHBondContact O-N 3.43Å; L771-N775 PolarHBondContact O-ND2 2.97Å; L771-N816 HydrophobicContact CD1-CB 4.45Å; L771-N816 WeakPolarHBondContact CG-OD1 3.22Å
772	L	63.2	Low	64.3	Low	35 Å²	35	55.4 Å²	55.4	18%	0.183	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-43.8	176.7	-70	155.8	0	0	0	113	M740 Y744 I768 A769 L770 T774 N775 C776	M740-L772 HydrophobicContact CB-CD2 4.48Å; Y744-L772 HydrophobicContact CD1-CD1 3.81Å; Y744-L772 HydrophobicContact CD2-CD1 3.16Å; Y744-L772 HydrophobicContact CD2-CD2 3.46Å; Y744-L772 VanDerWaalsContact CD2-CD2 3.46Å; Y744-L772 HydrophobicContact CD2-CG 3.9Å; Y744-L772 HydrophobicContact CE1-CD1 4.23Å; Y744-L772 HydrophobicContact CE2-CD1 3.6Å; Y744-L772 HydrophobicContact CE2-CD2 3.52Å; Y744-L772 HydrophobicContact CE2-CG 4.05Å; Y744-L772 HydrophobicContact CG-CD1 3.24Å; Y744-L772 HydrophobicContact CG-CD2 4.41Å; Y744-L772 HydrophobicContact CG-CG 4.42Å; I768-L772 HydrophobicContact CG2-CD1 3.76Å; I768-L772 VanDerWaalsContact O-CD1 3.31Å; I768-L772 WeakPolarHBondContact O-CD1 3.42Å; I768-L772 VanDerWaalsContact O-CG 3.31Å; I768-L772 WeakPolarHBondContact O-CG 3.37Å; I768-L772 PolarHBondContact O-N 2.86Å; A769-L772 PolarHBondContact O-N 2.92Å; L770-L772 VanDerWaalsContact C-N 3.31Å; L770-L772 PolarHBondContact O-N 3.11Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.25Å; L772-N775 PolarHBondContact O-N 3.39Å; L772-C776 VanDerWaalsContact O-CB 3.26Å; L772-C776 WeakPolarHBondContact O-CB 3.5Å; L772-C776 PolarHBondContact O-N 2.91Å
773	F	66	Low	65.1	Low	133 Å²	133	54.7 Å²	54.7	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-59.1	-44.4	176.1	-177	-110.6	0	0	0	111.1	A769 L770 C776 I777	A769-F773 WeakPolarHBondContact O-CB 3.49Å; A769-F773 PolarHBondContact O-N 3.23Å; L770-F773 PolarHBondContact O-N 3.31Å; F773-C776 PolarHBondContact O-N 3.49Å; F773-I777 HydrophobicContact CD1-CD1 3.8Å; F773-I777 HydrophobicContact CD2-CD1 4.19Å; F773-I777 HydrophobicContact CE1-CD1 3.46Å; F773-I777 VanDerWaalsContact CE1-CD1 3.46Å; F773-I777 HydrophobicContact CE2-CD1 3.88Å; F773-I777 HydrophobicContact CG-CD1 4.16Å; F773-I777 HydrophobicContact CZ-CD1 3.51Å; F773-I777 WeakPolarHBondContact O-CB 3.31Å; F773-I777 WeakPolarHBondContact O-CG1 3.28Å; F773-I777 PolarHBondContact O-N 2.95Å
774	T	68.4	Low	66	Low	37 Å²	37	56.9 Å²	56.9	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-48	174.3	-58.1	0	0	0	0	112.4	L770 L771 L772 C776 I777 L778 L815	L770-T774 PolarHBondContact O-N 3.16Å; L770-T774 PolarHBondContact O-OG1 3.01Å; L770-T774 VanDerWaalsContact O-OG1 3.09Å; L771-T774 PolarHBondContact O-N 3.28Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.25Å; T774-C776 VanDerWaalsContact C-N 3.35Å; T774-C776 PolarHBondContact O-N 2.89Å; T774-I777 PolarHBondContact O-N 3.35Å; T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 WeakPolarHBondContact O-CB 3.33Å; T774-L778 VanDerWaalsContact O-CG 3.27Å; T774-L778 WeakPolarHBondContact O-CG 3.43Å; T774-L778 PolarHBondContact O-N 2.8Å; T774-L815 HydrophobicContact CG2-CD1 4.43Å
775	N	68.6	Low	66.6	Low	11 Å²	11	53.7 Å²	53.7	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-38.2	179.5	-77.2	-91.5	0	0	0	112.2	F737 L771 L772 L778 Y779 P812 N816	F737-N775 HydrophobicContact CE1-CB 4.44Å; L771-N775 WeakPolarHBondContact CD2-ND2 3.31Å; L771-N775 PolarHBondContact O-N 3.43Å; L771-N775 PolarHBondContact O-ND2 2.97Å; L772-N775 PolarHBondContact O-N 3.39Å; N775-L778 PolarHBondContact O-N 2.98Å; N775-Y779 PolarHBondContact O-N 3.01Å; N775-Y779 VanDerWaalsContact O-N 3.13Å; N775-P812 WeakPolarHBondContact OD1-CB 3.45Å; N775-N816 PolarHBondContact ND2-OD1 3.02Å; N775-N816 PolarHBondContact OD1-ND2 2.85Å
776	C	68.9	Low	66.9	Low	52 Å²	52	53.4 Å²	53.4	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-48.4	176.8	-168.9	0	0	0	0	111.5	L772 F773 T774 L778 Y779 C780	L772-C776 VanDerWaalsContact O-CB 3.26Å; L772-C776 WeakPolarHBondContact O-CB 3.5Å; L772-C776 PolarHBondContact O-N 2.91Å; F773-C776 PolarHBondContact O-N 3.49Å; T774-C776 VanDerWaalsContact C-N 3.35Å; T774-C776 PolarHBondContact O-N 2.89Å; C776-L778 VanDerWaalsContact C-N 3.31Å; C776-L778 PolarHBondContact O-N 3.17Å; C776-Y779 PolarHBondContact O-N 3.47Å; C776-C780 PolarHBondContact O-N 3.31Å; C776-C780 VanDerWaalsContact O-N 3.11Å; C776-C780 PolarHBondContact O-SG 3.39Å
777	I	72.1	Confident	67.3	Low	86 Å²	86	53 Å²	53	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-40.9	176.3	-74.4	171.3	0	0	0	111.8	F773 T774 Y779 C780 P781	F773-I777 HydrophobicContact CD1-CD1 3.8Å; F773-I777 HydrophobicContact CD2-CD1 4.19Å; F773-I777 HydrophobicContact CE1-CD1 3.46Å; F773-I777 VanDerWaalsContact CE1-CD1 3.46Å; F773-I777 HydrophobicContact CE2-CD1 3.88Å; F773-I777 HydrophobicContact CG-CD1 4.16Å; F773-I777 HydrophobicContact CZ-CD1 3.51Å; F773-I777 WeakPolarHBondContact O-CB 3.31Å; F773-I777 WeakPolarHBondContact O-CG1 3.28Å; F773-I777 PolarHBondContact O-N 2.95Å; T774-I777 PolarHBondContact O-N 3.35Å; I777-Y779 VanDerWaalsContact C-N 3.27Å; I777-Y779 PolarHBondContact O-N 3.46Å; I777-C780 PolarHBondContact O-N 2.95Å; I777-P781 WeakPolarHBondContact O-CD 3.43Å
778	L	72.7	Confident	67.6	Low	32 Å²	32	51.7 Å²	51.7	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-23.7	177.8	-68.7	173.2	0	0	0	113.2	T774 N775 C776 I808 L811 P812 L815	T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 WeakPolarHBondContact O-CB 3.33Å; T774-L778 VanDerWaalsContact O-CG 3.27Å; T774-L778 WeakPolarHBondContact O-CG 3.43Å; T774-L778 PolarHBondContact O-N 2.8Å; N775-L778 PolarHBondContact O-N 2.98Å; C776-L778 VanDerWaalsContact C-N 3.31Å; C776-L778 PolarHBondContact O-N 3.17Å; L778-I808 HydrophobicContact CD2-CG2 4.44Å; L778-I808 WeakPolarHBondContact O-CG2 3.09Å; L778-L811 HydrophobicContact CD1-CB 4.44Å; L778-L811 HydrophobicContact CD1-CD2 4.02Å; L778-L811 HydrophobicContact CD1-CG 4.42Å; L778-L811 HydrophobicContact CD2-CD2 3.77Å; L778-P812 HydrophobicContact CD1-CG 4.32Å; L778-L815 HydrophobicContact CD1-CD1 4.08Å
779	Y	72.2	Confident	67.5	Low	36 Å²	36	51.4 Å²	51.4	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-85	-24	175.8	-162	-103.2	0	0	0	113.5	I730 N733 F737 N775 C776 I777 V782 A783	I730-Y779 PolarHBondContact O-OH 2.96Å; N733-Y779 HydrophobicContact CB-CE2 4.28Å; N733-Y779 VanDerWaalsContact CB-OH 3.22Å; N733-Y779 WeakPolarHBondContact CB-OH 3.27Å; F737-Y779 AromaticContact CD2-CD1 3.69Å; F737-Y779 HydrophobicContact CD2-CD1 3.69Å; F737-Y779 HydrophobicContact CD2-CD2 4.11Å; F737-Y779 AromaticContact CD2-CE1 3.93Å; F737-Y779 HydrophobicContact CD2-CE1 3.93Å; F737-Y779 HydrophobicContact CD2-CE2 4.33Å; F737-Y779 AromaticContact CD2-CG 3.79Å; F737-Y779 HydrophobicContact CD2-CG 3.79Å; F737-Y779 AromaticContact CE2-CD1 3.91Å; F737-Y779 HydrophobicContact CE2-CD1 3.91Å; F737-Y779 AromaticContact CE2-CD2 3.43Å; F737-Y779 HydrophobicContact CE2-CD2 3.43Å; F737-Y779 VanDerWaalsContact CE2-CD2 3.43Å; F737-Y779 HydrophobicContact CE2-CE1 4.18Å; F737-Y779 AromaticContact CE2-CE2 3.74Å; F737-Y779 HydrophobicContact CE2-CE2 3.74Å; F737-Y779 AromaticContact CE2-CG 3.53Å; F737-Y779 HydrophobicContact CE2-CG 3.53Å; F737-Y779 HydrophobicContact CG-CD1 4.49Å; F737-Y779 HydrophobicContact CZ-CD2 4.05Å; F737-Y779 HydrophobicContact CZ-CG 4.14Å; N775-Y779 PolarHBondContact O-N 3.01Å; N775-Y779 VanDerWaalsContact O-N 3.13Å; C776-Y779 PolarHBondContact O-N 3.47Å; I777-Y779 VanDerWaalsContact C-N 3.27Å; I777-Y779 PolarHBondContact O-N 3.46Å; Y779-V782 HydrophobicContact CD2-CB 4.24Å; Y779-V782 HydrophobicContact CD2-CG2 4.46Å; Y779-V782 HydrophobicContact CE2-CB 4.22Å; Y779-V782 HydrophobicContact CE2-CG1 4.12Å; Y779-V782 WeakPolarHBondContact O-CB 3.44Å; Y779-V782 PolarHBondContact O-N 2.91Å; Y779-A783 HydrophobicContact CD1-CB 4.36Å; Y779-A783 HydrophobicContact CE1-CB 4.19Å; Y779-A783 PolarHBondContact O-N 3.42Å
780	C	70.4	Confident	67.7	Low	73 Å²	73	54.6 Å²	54.6	49%	0.493	29%	0.29	S	S	.	.	H	α-helix	trans	-53.5	-44.9	178.7	-69	0	0	0	0	114.4	C776 I777 V782 A783 F784	C776-C780 PolarHBondContact O-N 3.31Å; C776-C780 VanDerWaalsContact O-N 3.11Å; C776-C780 PolarHBondContact O-SG 3.39Å; I777-C780 PolarHBondContact O-N 2.95Å; C780-V782 VanDerWaalsContact C-N 3.31Å; C780-V782 PolarHBondContact O-N 3.33Å; C780-A783 PolarHBondContact O-N 3.31Å; C780-F784 WeakPolarHBondContact O-CB 3.35Å; C780-F784 PolarHBondContact O-N 2.94Å
781	P	71	Confident	67.5	Low	40 Å²	40	54.8 Å²	54.8	26%	0.26	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-37.8	173.7	-25.7	34.6	0	0	0	113.7	I777 F784 L785 I804	I777-P781 WeakPolarHBondContact O-CD 3.43Å; P781-F784 PolarHBondContact O-N 3.05Å; P781-L785 WeakPolarHBondContact O-CG 3.47Å; P781-L785 PolarHBondContact O-N 3.04Å; P781-I804 HydrophobicContact CB-CD1 4.1Å; P781-I804 HydrophobicContact CB-CG1 4.3Å
782	V	67.8	Low	67.2	Low	19 Å²	19	59.7 Å²	59.7	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-47.5	-178.6	-173.2	0	0	0	0	110.5	Y779 C780 F784 L785 S786 I804 V809	Y779-V782 HydrophobicContact CD2-CB 4.24Å; Y779-V782 HydrophobicContact CD2-CG2 4.46Å; Y779-V782 HydrophobicContact CE2-CB 4.22Å; Y779-V782 HydrophobicContact CE2-CG1 4.12Å; Y779-V782 WeakPolarHBondContact O-CB 3.44Å; Y779-V782 PolarHBondContact O-N 2.91Å; C780-V782 VanDerWaalsContact C-N 3.31Å; C780-V782 PolarHBondContact O-N 3.33Å; V782-F784 VanDerWaalsContact C-N 3.31Å; V782-F784 PolarHBondContact O-N 3.43Å; V782-L785 PolarHBondContact O-N 3.46Å; V782-S786 PolarHBondContact O-N 3.48Å; V782-S786 PolarHBondContact O-OG 2.98Å; V782-I804 HydrophobicContact CG2-CG2 3.99Å; V782-V809 HydrophobicContact CG1-CG2 4.32Å; V782-V809 HydrophobicContact CG2-CG2 3.67Å
783	A	67.7	Low	67.1	Low	33 Å²	33	61.9 Å²	61.9	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-39.7	174.9	0	0	0	0	0	111.9	Y779 C780 S786 F787	Y779-A783 HydrophobicContact CD1-CB 4.36Å; Y779-A783 HydrophobicContact CE1-CB 4.19Å; Y779-A783 PolarHBondContact O-N 3.42Å; C780-A783 PolarHBondContact O-N 3.31Å; A783-S786 PolarHBondContact O-N 3.36Å; A783-F787 WeakPolarHBondContact O-CB 3.36Å; A783-F787 PolarHBondContact O-N 3.36Å
784	F	71.9	Confident	66.6	Low	129 Å²	129	61.6 Å²	61.6	57%	0.566	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-49.4	176.9	-179.5	-102.7	0	0	0	112.6	C780 P781 V782 S786 F787 S788 I796	C780-F784 WeakPolarHBondContact O-CB 3.35Å; C780-F784 PolarHBondContact O-N 2.94Å; P781-F784 PolarHBondContact O-N 3.05Å; V782-F784 VanDerWaalsContact C-N 3.31Å; V782-F784 PolarHBondContact O-N 3.43Å; F784-S786 VanDerWaalsContact C-N 3.26Å; F784-S786 PolarHBondContact O-N 3.35Å; F784-F787 PolarHBondContact O-N 2.91Å; F784-S788 WeakPolarHBondContact O-CB 3.28Å; F784-S788 PolarHBondContact O-N 2.95Å; F784-S788 PolarHBondContact O-OG 3.32Å; F784-S788 VanDerWaalsContact O-OG 3.06Å; F784-I796 HydrophobicContact CD1-CD1 4.16Å; F784-I796 HydrophobicContact CE1-CD1 3.75Å
785	L	67.3	Low	66.2	Low	20 Å²	20	68.5 Å²	68.5	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-51.5	-48.2	174.6	-74.7	-168.9	0	0	0	111.8	P781 V782 F787 S788 S789 I796 I801 I804	P781-L785 WeakPolarHBondContact O-CG 3.47Å; P781-L785 PolarHBondContact O-N 3.04Å; V782-L785 PolarHBondContact O-N 3.46Å; L785-F787 PolarHBondContact O-N 3.07Å; L785-S788 PolarHBondContact O-N 2.88Å; L785-S789 WeakPolarHBondContact O-CB 3.37Å; L785-S789 PolarHBondContact O-N 3.24Å; L785-I796 HydrophobicContact CD2-CD1 3.55Å; L785-I796 HydrophobicContact CD2-CG2 3.95Å; L785-I801 HydrophobicContact CD1-CB 4.49Å; L785-I801 HydrophobicContact CD1-CG1 4.36Å; L785-I801 HydrophobicContact CD1-CG2 4.16Å; L785-I801 HydrophobicContact CD2-CG1 4.03Å; L785-I804 HydrophobicContact CD1-CB 3.84Å; L785-I804 HydrophobicContact CD1-CD1 3.7Å; L785-I804 HydrophobicContact CD1-CG1 4.36Å; L785-I804 HydrophobicContact CD1-CG2 3.63Å; L785-I804 HydrophobicContact CD2-CD1 3.86Å; L785-I804 HydrophobicContact CG-CD1 3.75Å; L785-I804 HydrophobicContact CG-CG2 4.41Å
786	S	63.6	Low	66.1	Low	18 Å²	18	70 Å²	70	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-41	-173	-51.6	0	0	0	0	111.8	I730 V782 A783 F784 S789 L790	I730-S786 WeakPolarHBondContact CD1-OG 3.48Å; V782-S786 PolarHBondContact O-N 3.48Å; V782-S786 PolarHBondContact O-OG 2.98Å; A783-S786 PolarHBondContact O-N 3.36Å; F784-S786 VanDerWaalsContact C-N 3.26Å; F784-S786 PolarHBondContact O-N 3.35Å; S786-S789 PolarHBondContact O-N 3.49Å; S786-L790 PolarHBondContact O-N 3.09Å; S786-L790 VanDerWaalsContact O-N 3.08Å
787	F	66.3	Low	66.2	Low	128 Å²	128	70.1 Å²	70.1	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-72.3	-37.1	176.3	-164.6	-106.7	0	0	0	112.2	A783 F784 L785 S789 L790 L791	A783-F787 WeakPolarHBondContact O-CB 3.36Å; A783-F787 PolarHBondContact O-N 3.36Å; F784-F787 PolarHBondContact O-N 2.91Å; L785-F787 PolarHBondContact O-N 3.07Å; F787-S789 VanDerWaalsContact C-N 3.32Å; F787-S789 PolarHBondContact O-N 3.39Å; F787-L790 PolarHBondContact O-N 3.36Å; F787-L791 HydrophobicContact CD1-CD1 3.88Å; F787-L791 HydrophobicContact CE1-CD1 3.46Å; F787-L791 VanDerWaalsContact CE1-CD1 3.46Å; F787-L791 HydrophobicContact CE1-CG 4.31Å; F787-L791 HydrophobicContact CZ-CD1 4.02Å; F787-L791 PolarHBondContact O-N 3.24Å; F787-L791 VanDerWaalsContact O-N 3.08Å
788	S	68.3	Low	66.3	Low	9 Å²	9	68.6 Å²	68.6	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-38.4	171.3	-63.5	0	0	0	0	112.2	F784 L785 L791 N792 L793	F784-S788 WeakPolarHBondContact O-CB 3.28Å; F784-S788 PolarHBondContact O-N 2.95Å; F784-S788 PolarHBondContact O-OG 3.32Å; F784-S788 VanDerWaalsContact O-OG 3.06Å; L785-S788 PolarHBondContact O-N 2.88Å; S788-L791 CarbonylContact O-C 3.54Å; S788-L791 PolarHBondContact O-N 3.38Å; S788-N792 PolarHBondContact O-N 3.2Å; S788-L793 PolarHBondContact O-N 3.26Å
789	S	61.5	Low	66.4	Low	26 Å²	26	72.8 Å²	72.8	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-65.6	-42.5	175	-151	0	0	0	0	111.8	P716 F717 L785 S786 F787 L791 N792	P716-S789 PolarHBondContact O-OG 2.87Å; F717-S789 WeakPolarHBondContact CE1-OG 3.46Å; L785-S789 WeakPolarHBondContact O-CB 3.37Å; L785-S789 PolarHBondContact O-N 3.24Å; S786-S789 PolarHBondContact O-N 3.49Å; F787-S789 VanDerWaalsContact C-N 3.32Å; F787-S789 PolarHBondContact O-N 3.39Å; S789-L791 VanDerWaalsContact C-N 3.27Å; S789-L791 PolarHBondContact O-N 2.98Å; S789-N792 PolarHBondContact O-N 3.11Å; S789-N792 VanDerWaalsContact O-N 3.09Å
790	L	62.3	Low	66.7	Low	108 Å²	108	74.3 Å²	74.3	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-62.6	-33.2	176.4	-167.2	76.3	0	0	0	112.7	V727 S786 F787	V727-L790 HydrophobicContact CG1-CD1 4.4Å; V727-L790 HydrophobicContact CG2-CD1 4.03Å; S786-L790 PolarHBondContact O-N 3.09Å; S786-L790 VanDerWaalsContact O-N 3.08Å; F787-L790 PolarHBondContact O-N 3.36Å
791	L	62.6	Low	67.1	Low	93 Å²	93	71.3 Å²	71.3	49%	0.487	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	3.5	175.9	-64.7	179.6	0	0	0	113.8	F787 S788 S789 L793	F787-L791 HydrophobicContact CD1-CD1 3.88Å; F787-L791 HydrophobicContact CE1-CD1 3.46Å; F787-L791 VanDerWaalsContact CE1-CD1 3.46Å; F787-L791 HydrophobicContact CE1-CG 4.31Å; F787-L791 HydrophobicContact CZ-CD1 4.02Å; F787-L791 PolarHBondContact O-N 3.24Å; F787-L791 VanDerWaalsContact O-N 3.08Å; S788-L791 CarbonylContact O-C 3.54Å; S788-L791 PolarHBondContact O-N 3.38Å; S789-L791 VanDerWaalsContact C-N 3.27Å; S789-L791 PolarHBondContact O-N 2.98Å; L791-L793 VanDerWaalsContact C-N 3.26Å; L791-L793 HydrophobicContact CB-CD1 3.83Å; L791-L793 HydrophobicContact CB-CG 3.79Å; L791-L793 HydrophobicContact CD1-CD1 4.03Å; L791-L793 PolarHBondContact O-N 3.12Å
792	N	59.5	Low	67.6	Low	135 Å²	135	69.6 Å²	69.6	72%	0.722	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.6	-178.4	-153.4	18	0	0	0	114.3	S788 S789 T794	S788-N792 PolarHBondContact O-N 3.2Å; S789-N792 PolarHBondContact O-N 3.11Å; S789-N792 VanDerWaalsContact O-N 3.09Å; N792-T794 PolarHBondContact O-N 3.34Å
793	L	60.6	Low	68.5	Low	82 Å²	82	72.4 Å²	72.4	43%	0.429	38%	0.38	S	S	.	.			trans	-87.6	100.6	-175.1	-67.6	174.1	0	0	0	111.6	S788 L791 F795	S788-L793 PolarHBondContact O-N 3.26Å; L791-L793 VanDerWaalsContact C-N 3.26Å; L791-L793 HydrophobicContact CB-CD1 3.83Å; L791-L793 HydrophobicContact CB-CG 3.79Å; L791-L793 HydrophobicContact CD1-CD1 4.03Å; L791-L793 PolarHBondContact O-N 3.12Å; L793-F795 HydrophobicContact CB-CD2 4.3Å; L793-F795 HydrophobicContact CD2-CE2 4.49Å; L793-F795 PolarHBondContact O-N 2.93Å
794	T	55.7	Low	69.2	Low	126 Å²	126	71.3 Å²	71.3	77%	0.773	37%	0.37	S	S	*	.			trans	-78.1	34.3	-168.9	49.3	0	0	0	0	116	N792	N792-T794 PolarHBondContact O-N 3.34Å
795	F	58.4	Low	69.7	Low	183 Å²	183	66.5 Å²	66.5	80%	0.803	35%	0.35	S	S	*	.			trans	-94.6	6.8	-173.1	-69.5	-75.9	0	0	0	115.9	L793	L793-F795 HydrophobicContact CB-CD2 4.3Å; L793-F795 HydrophobicContact CD2-CE2 4.49Å; L793-F795 PolarHBondContact O-N 2.93Å
796	I	66.4	Low	70.6	Confident	42 Å²	42	66 Å²	66	22%	0.215	35%	0.347	C	S	.	.	S	Bend	trans	-123.4	124.9	-169.8	-49.2	-176.5	0	0	0	110.3	F784 L785 V800 I801	F784-I796 HydrophobicContact CD1-CD1 4.16Å; F784-I796 HydrophobicContact CE1-CD1 3.75Å; L785-I796 HydrophobicContact CD2-CD1 3.55Å; L785-I796 HydrophobicContact CD2-CG2 3.95Å; I796-V800 HydrophobicContact CG2-CB 4.04Å; I796-V800 HydrophobicContact CG2-CG1 3.89Å; I796-I801 HydrophobicContact CG2-CD1 4.36Å; I796-I801 HydrophobicContact CG2-CG1 3.89Å
797	S	72.6	Confident	71.8	Confident	54 Å²	54	65.7 Å²	65.7	38%	0.378	35%	0.345	S	S	.	.			trans	-69.9	142.3	178.2	68.9	0	0	0	0	111.3	E799 V800 I801	S797-E799 PolarHBondContact O-N 3.42Å; S797-E799 VanDerWaalsContact O-N 3.11Å; S797-V800 WeakPolarHBondContact O-CB 3.49Å; S797-V800 PolarHBondContact O-N 3.33Å; S797-V800 WeakPolarHBondContact OG-CG2 3.42Å; S797-I801 PolarHBondContact O-N 3.28Å
798	P	73.2	Confident	72.7	Confident	54 Å²	54	60.9 Å²	60.9	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-25.3	178.9	-30.8	39.2	0	0	0	114.7	P547 F548 I801 K802	P547-P798 HydrophobicContact CB-CB 3.7Å; P547-P798 HydrophobicContact CG-CB 3.34Å; P547-P798 HydrophobicContact CG-CG 3.71Å; F548-P798 HydrophobicContact CE2-CB 3.97Å; F548-P798 HydrophobicContact CZ-CB 4.48Å; P798-I801 PolarHBondContact O-N 2.98Å; P798-K802 PolarHBondContact O-N 3.39Å
799	E	75.4	Confident	73.3	Confident	120 Å²	120	63.4 Å²	63.4	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-42.9	172.9	-63	170.2	-176.2	0	0	112.2	S797 I801 K802 F803	S797-E799 PolarHBondContact O-N 3.42Å; S797-E799 VanDerWaalsContact O-N 3.11Å; E799-I801 VanDerWaalsContact C-N 3.29Å; E799-I801 PolarHBondContact O-N 2.96Å; E799-K802 PolarHBondContact O-N 3.25Å; E799-F803 WeakPolarHBondContact O-CB 3.42Å; E799-F803 PolarHBondContact O-N 3.07Å
800	V	79.3	Confident	74.5	Confident	68 Å²	68	62.7 Å²	62.7	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-36	175.4	171	0	0	0	0	110.4	I796 S797 F803 I804	I796-V800 HydrophobicContact CG2-CB 4.04Å; I796-V800 HydrophobicContact CG2-CG1 3.89Å; S797-V800 WeakPolarHBondContact O-CB 3.49Å; S797-V800 PolarHBondContact O-N 3.33Å; S797-V800 WeakPolarHBondContact OG-CG2 3.42Å; V800-F803 PolarHBondContact O-N 3.29Å; V800-I804 HydrophobicContact CG1-CD1 3.78Å; V800-I804 VanDerWaalsContact O-CG1 3.32Å; V800-I804 WeakPolarHBondContact O-CG1 3.21Å; V800-I804 PolarHBondContact O-N 3.41Å
801	I	77.2	Confident	75.6	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-68.5	-44.8	176.2	-56.5	179	0	0	0	110.8	F548 F717 L785 I796 S797 P798 E799 F803 I804 L805	F548-I801 HydrophobicContact CE1-CG2 4.45Å; F548-I801 HydrophobicContact CZ-CB 3.97Å; F548-I801 HydrophobicContact CZ-CG2 3.7Å; F717-I801 HydrophobicContact CE2-CD1 3.76Å; F717-I801 HydrophobicContact CZ-CD1 3.74Å; L785-I801 HydrophobicContact CD1-CB 4.49Å; L785-I801 HydrophobicContact CD1-CG1 4.36Å; L785-I801 HydrophobicContact CD1-CG2 4.16Å; L785-I801 HydrophobicContact CD2-CG1 4.03Å; I796-I801 HydrophobicContact CG2-CD1 4.36Å; I796-I801 HydrophobicContact CG2-CG1 3.89Å; S797-I801 PolarHBondContact O-N 3.28Å; P798-I801 PolarHBondContact O-N 2.98Å; E799-I801 VanDerWaalsContact C-N 3.29Å; E799-I801 PolarHBondContact O-N 2.96Å; I801-F803 VanDerWaalsContact C-N 3.33Å; I801-F803 PolarHBondContact O-N 3.04Å; I801-I804 PolarHBondContact O-N 3.1Å; I801-L805 HydrophobicContact CG2-CD1 4.07Å; I801-L805 WeakPolarHBondContact O-CG 3.17Å; I801-L805 PolarHBondContact O-N 3.37Å
802	K	82.7	Confident	76.7	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-54.4	-49.1	170.1	-76.9	-163.4	177.9	-170.6	0	111.1	P547 F548 L554 L555 D556 I560 L711 P798 E799 I804 L805 L806	P547-K802 WeakPolarHBondContact O-CE 3.32Å; P547-K802 PolarHBondContact O-NZ 3Å; F548-K802 HydrophobicContact CD1-CG 4.35Å; F548-K802 HydrophobicContact CE1-CG 3.84Å; F548-K802 HydrophobicContact CZ-CG 4.42Å; L554-K802 PolarHBondContact O-NZ 3.38Å; L554-K802 VanDerWaalsContact O-NZ 3.13Å; L555-K802 WeakPolarHBondContact O-CD 3.14Å; D556-K802 IonicContact OD2-NZ 3.81Å; D556-K802 PolarHBondContact OD2-NZ 3.12Å; I560-K802 HydrophobicContact CD1-CB 3.68Å; I560-K802 HydrophobicContact CD1-CD 4.41Å; L711-K802 HydrophobicContact CD1-CG 4.48Å; P798-K802 PolarHBondContact O-N 3.39Å; E799-K802 PolarHBondContact O-N 3.25Å; K802-I804 PolarHBondContact O-N 3.04Å; K802-L805 PolarHBondContact O-N 3Å; K802-L806 HydrophobicContact CB-CD1 4.28Å; K802-L806 VanDerWaalsContact O-CB 3.27Å; K802-L806 WeakPolarHBondContact O-CB 3.38Å; K802-L806 WeakPolarHBondContact O-CG 3.41Å; K802-L806 PolarHBondContact O-N 3.08Å
803	F	85.3	Confident	77.9	Confident	78 Å²	78	50.2 Å²	50.2	34%	0.342	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-41.6	-179.3	-177.1	-93	0	0	0	112.4	I560 E799 V800 I801 V807 I808	I560-F803 HydrophobicContact CD1-CB 4.3Å; I560-F803 HydrophobicContact CG1-CB 4.31Å; I560-F803 HydrophobicContact CG1-CD2 4.04Å; E799-F803 WeakPolarHBondContact O-CB 3.42Å; E799-F803 PolarHBondContact O-N 3.07Å; V800-F803 PolarHBondContact O-N 3.29Å; I801-F803 VanDerWaalsContact C-N 3.33Å; I801-F803 PolarHBondContact O-N 3.04Å; F803-V807 HydrophobicContact CD2-CB 4.11Å; F803-V807 HydrophobicContact CD2-CG2 3.76Å; F803-V807 HydrophobicContact CE1-CB 4.48Å; F803-V807 HydrophobicContact CE2-CB 3.95Å; F803-V807 HydrophobicContact CE2-CG1 3.97Å; F803-V807 HydrophobicContact CE2-CG2 3.85Å; F803-V807 HydrophobicContact CG-CB 4.44Å; F803-V807 HydrophobicContact CG-CG2 4.39Å; F803-V807 HydrophobicContact CZ-CB 4.14Å; F803-V807 HydrophobicContact CZ-CG1 3.98Å; F803-V807 WeakPolarHBondContact O-CA 3.41Å; F803-V807 VanDerWaalsContact O-CB 3.24Å; F803-V807 WeakPolarHBondContact O-CB 3.41Å; F803-V807 PolarHBondContact O-N 3.48Å; F803-I808 HydrophobicContact CD1-CD1 3.89Å; F803-I808 HydrophobicContact CD1-CG1 4.33Å; F803-I808 HydrophobicContact CE1-CD1 3.71Å; F803-I808 HydrophobicContact CE1-CG1 3.96Å; F803-I808 PolarHBondContact O-N 3.15Å
804	I	82.6	Confident	79.1	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.056	25%	0.25	C	C	.	.	I	π-helix	trans	-65.4	-46.6	177.8	-70.9	162.8	0	0	0	111	P781 V782 L785 V800 I801 K802 I808 V809	P781-I804 HydrophobicContact CB-CD1 4.1Å; P781-I804 HydrophobicContact CB-CG1 4.3Å; V782-I804 HydrophobicContact CG2-CG2 3.99Å; L785-I804 HydrophobicContact CD1-CB 3.84Å; L785-I804 HydrophobicContact CD1-CD1 3.7Å; L785-I804 HydrophobicContact CD1-CG1 4.36Å; L785-I804 HydrophobicContact CD1-CG2 3.63Å; L785-I804 HydrophobicContact CD2-CD1 3.86Å; L785-I804 HydrophobicContact CG-CD1 3.75Å; L785-I804 HydrophobicContact CG-CG2 4.41Å; V800-I804 HydrophobicContact CG1-CD1 3.78Å; V800-I804 VanDerWaalsContact O-CG1 3.32Å; V800-I804 WeakPolarHBondContact O-CG1 3.21Å; V800-I804 PolarHBondContact O-N 3.41Å; I801-I804 PolarHBondContact O-N 3.1Å; K802-I804 PolarHBondContact O-N 3.04Å; I804-I808 HydrophobicContact CB-CD1 4.48Å; I804-I808 HydrophobicContact CG1-CD1 3.75Å; I804-I808 PolarHBondContact O-N 3.21Å; I804-V809 WeakPolarHBondContact O-CG2 3.23Å; I804-V809 PolarHBondContact O-N 3.29Å
805	L	82.3	Confident	80.4	Confident	27 Å²	27	42.6 Å²	42.6	14%	0.141	23%	0.225	C	C	.	.	I	π-helix	trans	-66.9	-40	-179.9	-68.7	173.2	0	0	0	113.4	L715 I801 K802	L715-L805 HydrophobicContact CD2-CD1 3.97Å; I801-L805 HydrophobicContact CG2-CD1 4.07Å; I801-L805 WeakPolarHBondContact O-CG 3.17Å; I801-L805 PolarHBondContact O-N 3.37Å; K802-L805 PolarHBondContact O-N 3Å
806	L	87.6	Confident	81.4	Confident	9 Å²	9	34.5 Å²	34.5	5%	0.047	19%	0.19	C	C	.	.	I	π-helix	trans	-96.2	-22.1	-171.2	-62.5	167.5	0	0	0	113.9	L555 I560 V564 L613 L711 K802 P810	L555-L806 HydrophobicContact CD2-CD1 3.87Å; I560-L806 HydrophobicContact CG2-CB 4.16Å; I560-L806 HydrophobicContact CG2-CD1 3.91Å; V564-L806 HydrophobicContact CG2-CB 3.97Å; L613-L806 HydrophobicContact CD1-CD2 4.25Å; L711-L806 HydrophobicContact CD1-CD1 4.11Å; L711-L806 HydrophobicContact CD1-CG 4.48Å; L711-L806 HydrophobicContact CD2-CD1 4.01Å; L711-L806 HydrophobicContact CD2-CD2 4.28Å; K802-L806 HydrophobicContact CB-CD1 4.28Å; K802-L806 VanDerWaalsContact O-CB 3.27Å; K802-L806 WeakPolarHBondContact O-CB 3.38Å; K802-L806 WeakPolarHBondContact O-CG 3.41Å; K802-L806 PolarHBondContact O-N 3.08Å; L806-P810 VanDerWaalsContact O-CG 3.3Å; L806-P810 WeakPolarHBondContact O-CG 3.3Å
807	V	87.9	Confident	82.1	Confident	13 Å²	13	33 Å²	33	8%	0.079	18%	0.183	C	C	.	.	I	π-helix	trans	-116.3	-50.8	-177.9	-170.4	0	0	0	0	111.7	I560 I567 F803 L811	I560-V807 HydrophobicContact CG2-CG2 4.47Å; I567-V807 HydrophobicContact CD1-CB 4.44Å; I567-V807 HydrophobicContact CD1-CG1 3.87Å; I567-V807 WeakPolarHBondContact CD1-O 3.36Å; F803-V807 HydrophobicContact CD2-CB 4.11Å; F803-V807 HydrophobicContact CD2-CG2 3.76Å; F803-V807 HydrophobicContact CE1-CB 4.48Å; F803-V807 HydrophobicContact CE2-CB 3.95Å; F803-V807 HydrophobicContact CE2-CG1 3.97Å; F803-V807 HydrophobicContact CE2-CG2 3.85Å; F803-V807 HydrophobicContact CG-CB 4.44Å; F803-V807 HydrophobicContact CG-CG2 4.39Å; F803-V807 HydrophobicContact CZ-CB 4.14Å; F803-V807 HydrophobicContact CZ-CG1 3.98Å; F803-V807 WeakPolarHBondContact O-CA 3.41Å; F803-V807 VanDerWaalsContact O-CB 3.24Å; F803-V807 WeakPolarHBondContact O-CB 3.41Å; F803-V807 PolarHBondContact O-N 3.48Å; V807-L811 WeakPolarHBondContact O-CB 3.44Å; V807-L811 PolarHBondContact O-N 3.04Å
808	I	85.4	Confident	82.5	Confident	27 Å²	27	32.6 Å²	32.6	14%	0.138	18%	0.176	C	C	.	.	I	π-helix	trans	-75.6	-47.5	-173.9	-70	164.4	0	0	0	112.3	L778 F803 I804 L811 P812	L778-I808 HydrophobicContact CD2-CG2 4.44Å; L778-I808 WeakPolarHBondContact O-CG2 3.09Å; F803-I808 HydrophobicContact CD1-CD1 3.89Å; F803-I808 HydrophobicContact CD1-CG1 4.33Å; F803-I808 HydrophobicContact CE1-CD1 3.71Å; F803-I808 HydrophobicContact CE1-CG1 3.96Å; F803-I808 PolarHBondContact O-N 3.15Å; I804-I808 HydrophobicContact CB-CD1 4.48Å; I804-I808 HydrophobicContact CG1-CD1 3.75Å; I804-I808 PolarHBondContact O-N 3.21Å; I808-L811 WeakPolarHBondContact O-CB 3.5Å; I808-L811 PolarHBondContact O-N 3.36Å; I808-P812 WeakPolarHBondContact O-CD 3.48Å
809	V	81.3	Confident	82.6	Confident	62 Å²	62	31.5 Å²	31.5	38%	0.376	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-45.8	179.7	169	0	0	0	0	113.3	V782 I804 P812	V782-V809 HydrophobicContact CG1-CG2 4.32Å; V782-V809 HydrophobicContact CG2-CG2 3.67Å; I804-V809 WeakPolarHBondContact O-CG2 3.23Å; I804-V809 PolarHBondContact O-N 3.29Å; V809-P812 WeakPolarHBondContact O-CD 3.47Å
810	P	86.2	Confident	82.6	Confident	11 Å²	11	27.5 Å²	27.5	7%	0.071	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9	177.8	31.5	-35.8	0	0	0	114.8	I567 T606 L806 P812 A813	I567-P810 HydrophobicContact CD1-CG 4.23Å; I567-P810 HydrophobicContact CG2-CB 4.02Å; I567-P810 HydrophobicContact CG2-CG 4.27Å; T606-P810 HydrophobicContact CG2-CB 3.78Å; L806-P810 VanDerWaalsContact O-CG 3.3Å; L806-P810 WeakPolarHBondContact O-CG 3.3Å; P810-P812 VanDerWaalsContact C-CD 3.5Å; P810-A813 VanDerWaalsContact O-CB 3.32Å; P810-A813 WeakPolarHBondContact O-CB 3.32Å; P810-A813 PolarHBondContact O-N 3.47Å
811	L	86.3	Confident	82.4	Confident	42 Å²	42	25.5 Å²	25.5	22%	0.22	13%	0.134	C	C	.	.	H	α-helix	trans	-57.1	-38.4	-177.1	-162.4	67.8	0	0	0	114.8	I567 L778 V807 I808 A813 C814 L815	I567-L811 HydrophobicContact CD1-CD1 3.89Å; I567-L811 HydrophobicContact CG1-CD1 3.99Å; L778-L811 HydrophobicContact CD1-CB 4.44Å; L778-L811 HydrophobicContact CD1-CD2 4.02Å; L778-L811 HydrophobicContact CD1-CG 4.42Å; L778-L811 HydrophobicContact CD2-CD2 3.77Å; V807-L811 WeakPolarHBondContact O-CB 3.44Å; V807-L811 PolarHBondContact O-N 3.04Å; I808-L811 WeakPolarHBondContact O-CB 3.5Å; I808-L811 PolarHBondContact O-N 3.36Å; L811-A813 PolarHBondContact O-N 3.12Å; L811-C814 PolarHBondContact O-N 3.07Å; L811-C814 PolarHBondContact O-SG 2.98Å; L811-L815 HydrophobicContact CD1-CD1 4.4Å; L811-L815 HydrophobicContact CD1-CG 4.34Å; L811-L815 HydrophobicContact CD2-CD1 3.8Å; L811-L815 HydrophobicContact CG-CD1 3.66Å; L811-L815 HydrophobicContact CG-CG 3.96Å; L811-L815 PolarHBondContact O-N 3.25Å
812	P	84.3	Confident	82.3	Confident	27 Å²	27	29.2 Å²	29.2	18%	0.175	15%	0.154	C	C	.	.	H	α-helix	trans	-52	-36.2	170.7	-32.8	40	0	0	0	114.7	N775 L778 I808 V809 P810 C814 N816	N775-P812 WeakPolarHBondContact OD1-CB 3.45Å; L778-P812 HydrophobicContact CD1-CG 4.32Å; I808-P812 WeakPolarHBondContact O-CD 3.48Å; V809-P812 WeakPolarHBondContact O-CD 3.47Å; P810-P812 VanDerWaalsContact C-CD 3.5Å; P812-C814 VanDerWaalsContact C-N 3.26Å; P812-C814 PolarHBondContact O-N 2.66Å; P812-N816 VanDerWaalsContact O-CB 3.28Å; P812-N816 WeakPolarHBondContact O-CB 3.4Å; P812-N816 VanDerWaalsContact O-CG 3.29Å; P812-N816 PolarHBondContact O-N 3.41Å; P812-N816 VanDerWaalsContact O-N 3.07Å; P812-N816 PolarHBondContact O-ND2 3.5Å; P812-N816 VanDerWaalsContact O-ND2 3.12Å
813	A	85.2	Confident	81.6	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-23.7	-175.9	0	0	0	0	0	113	N575 N603 T606 P810 L811 P817	N575-A813 PolarHBondContact ND2-O 3.05Å; N603-A813 HydrophobicContact CB-CB 3.93Å; T606-A813 HydrophobicContact CG2-CB 4.07Å; P810-A813 VanDerWaalsContact O-CB 3.32Å; P810-A813 WeakPolarHBondContact O-CB 3.32Å; P810-A813 PolarHBondContact O-N 3.47Å; L811-A813 PolarHBondContact O-N 3.12Å; A813-P817 WeakPolarHBondContact O-CD 3.48Å; A813-P817 WeakPolarHBondContact O-CG 3.46Å
814	C	86.3	Confident	80.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-101.2	-34.4	172.4	66.6	0	0	0	0	113.8	L570 A571 L811 P812 P817 L818	L570-C814 HydrophobicContact CB-CB 3.72Å; A571-C814 HydrophobicContact CB-CB 4.09Å; L811-C814 PolarHBondContact O-N 3.07Å; L811-C814 PolarHBondContact O-SG 2.98Å; P812-C814 VanDerWaalsContact C-N 3.26Å; P812-C814 PolarHBondContact O-N 2.66Å; C814-P817 WeakPolarHBondContact O-CD 3.36Å; C814-P817 WeakPolarHBondContact O-CG 3.4Å; C814-L818 VanDerWaalsContact O-CB 3.27Å; C814-L818 WeakPolarHBondContact O-CB 3.39Å; C814-L818 PolarHBondContact O-N 3.22Å
815	L	83.1	Confident	79.6	Confident	48 Å²	48	35.6 Å²	35.6	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-71.6	-43.8	-179.1	-71.8	-176.6	0	0	0	113.1	T774 L778 L811 L818 L819	T774-L815 HydrophobicContact CG2-CD1 4.43Å; L778-L815 HydrophobicContact CD1-CD1 4.08Å; L811-L815 HydrophobicContact CD1-CD1 4.4Å; L811-L815 HydrophobicContact CD1-CG 4.34Å; L811-L815 HydrophobicContact CD2-CD1 3.8Å; L811-L815 HydrophobicContact CG-CD1 3.66Å; L811-L815 HydrophobicContact CG-CG 3.96Å; L811-L815 PolarHBondContact O-N 3.25Å; L815-L818 PolarHBondContact O-N 3.15Å; L815-L819 WeakPolarHBondContact O-CB 3.42Å; L815-L819 VanDerWaalsContact O-CG 3.28Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.29Å
816	N	78	Confident	78.5	Confident	13 Å²	13	39.9 Å²	39.9	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-49	-178.5	-68.8	-30.5	0	0	0	113.7	L771 N775 P812 Y820	L771-N816 HydrophobicContact CD1-CB 4.45Å; L771-N816 WeakPolarHBondContact CG-OD1 3.22Å; N775-N816 PolarHBondContact ND2-OD1 3.02Å; N775-N816 PolarHBondContact OD1-ND2 2.85Å; P812-N816 VanDerWaalsContact O-CB 3.28Å; P812-N816 WeakPolarHBondContact O-CB 3.4Å; P812-N816 VanDerWaalsContact O-CG 3.29Å; P812-N816 PolarHBondContact O-N 3.41Å; P812-N816 VanDerWaalsContact O-N 3.07Å; P812-N816 PolarHBondContact O-ND2 3.5Å; P812-N816 VanDerWaalsContact O-ND2 3.12Å; N816-Y820 PolarHBondContact O-N 2.91Å; N816-Y820 VanDerWaalsContact O-N 3.15Å
817	P	81	Confident	77.3	Confident	9 Å²	9	39.5 Å²	39.5	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-69.5	-33.2	175.3	30.2	-38.8	0	0	0	112.9	C574 N575 V578 A813 C814 Y820 I821	C574-P817 HydrophobicContact CB-CB 4.05Å; C574-P817 HydrophobicContact CB-CG 3.96Å; N575-P817 WeakPolarHBondContact OD1-CB 3.45Å; N575-P817 WeakPolarHBondContact OD1-CG 3.43Å; V578-P817 HydrophobicContact CG2-CB 4.18Å; A813-P817 WeakPolarHBondContact O-CD 3.48Å; A813-P817 WeakPolarHBondContact O-CG 3.46Å; C814-P817 WeakPolarHBondContact O-CD 3.36Å; C814-P817 WeakPolarHBondContact O-CG 3.4Å; P817-Y820 WeakPolarHBondContact O-CB 3.43Å; P817-Y820 PolarHBondContact O-N 3.29Å; P817-I821 WeakPolarHBondContact O-CB 3.42Å; P817-I821 WeakPolarHBondContact O-CD1 3.44Å; P817-I821 VanDerWaalsContact O-CG1 3.23Å; P817-I821 WeakPolarHBondContact O-CG1 3.24Å; P817-I821 PolarHBondContact O-N 3.45Å
818	L	81.4	Confident	76.1	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-44.4	177.5	179	61.5	0	0	0	111.6	C814 L815 Y820 I821 L822	C814-L818 VanDerWaalsContact O-CB 3.27Å; C814-L818 WeakPolarHBondContact O-CB 3.39Å; C814-L818 PolarHBondContact O-N 3.22Å; L815-L818 PolarHBondContact O-N 3.15Å; L818-Y820 VanDerWaalsContact C-N 3.33Å; L818-Y820 PolarHBondContact O-N 2.95Å; L818-I821 PolarHBondContact O-N 3.41Å; L818-L822 HydrophobicContact CD1-CD1 3.98Å; L818-L822 HydrophobicContact CD1-CG 4.21Å; L818-L822 HydrophobicContact CG-CD1 4Å; L818-L822 VanDerWaalsContact O-CG 3.31Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.37Å
819	L	75.4	Confident	75	Confident	31 Å²	31	48.7 Å²	48.7	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-42.2	174.2	-70.6	173.9	0	0	0	111.2	H767 L815 L822 F823	H767-L819 PolarHBondContact CE1-O 2.64Å; L815-L819 WeakPolarHBondContact O-CB 3.42Å; L815-L819 VanDerWaalsContact O-CG 3.28Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.29Å; L819-L822 PolarHBondContact O-N 3.42Å; L819-F823 HydrophobicContact CD2-CD2 4.05Å; L819-F823 HydrophobicContact CD2-CE2 3.78Å; L819-F823 WeakPolarHBondContact O-CB 3.34Å; L819-F823 WeakPolarHBondContact O-CD2 3.21Å; L819-F823 PolarHBondContact O-N 3.14Å
820	Y	75.1	Confident	74.2	Confident	35 Å²	35	47.2 Å²	47.2	14%	0.137	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-46.7	174.2	-179.1	-97.1	0	0	0	112.2	V578 I596 N816 P817 L818 L822 N824 F827	V578-Y820 HydrophobicContact CG1-CD1 4.45Å; V578-Y820 HydrophobicContact CG1-CE1 4.29Å; V578-Y820 HydrophobicContact CG2-CD1 3.99Å; V578-Y820 HydrophobicContact CG2-CE1 4.42Å; I596-Y820 HydrophobicContact CD1-CE2 3.83Å; I596-Y820 HydrophobicContact CG2-CE1 4.34Å; I596-Y820 HydrophobicContact CG2-CE2 4.33Å; N816-Y820 PolarHBondContact O-N 2.91Å; N816-Y820 VanDerWaalsContact O-N 3.15Å; P817-Y820 WeakPolarHBondContact O-CB 3.43Å; P817-Y820 PolarHBondContact O-N 3.29Å; L818-Y820 VanDerWaalsContact C-N 3.33Å; L818-Y820 PolarHBondContact O-N 2.95Å; Y820-L822 PolarHBondContact O-N 2.97Å; Y820-N824 HydrophobicContact CD2-CB 4.3Å; Y820-N824 HydrophobicContact CE2-CB 4.36Å; Y820-N824 WeakPolarHBondContact CE2-ND2 3.36Å; Y820-N824 WeakPolarHBondContact O-CB 3.49Å; Y820-N824 PolarHBondContact O-N 3.02Å; Y820-N824 VanDerWaalsContact O-N 3.09Å; Y820-N824 PolarHBondContact OH-ND2 2.91Å; Y820-F827 HydrophobicContact CD1-CD2 4.21Å; Y820-F827 HydrophobicContact CE1-CB 4.42Å; Y820-F827 AromaticContact CE1-CD2 3.78Å; Y820-F827 HydrophobicContact CE1-CD2 3.78Å; Y820-F827 HydrophobicContact CE1-CG 4.4Å
821	I	76.4	Confident	73.1	Confident	27 Å²	27	50 Å²	50	14%	0.138	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-43.9	177.5	-73.3	162	0	0	0	112.1	C574 L577 V578 P817 L818 F827	C574-I821 HydrophobicContact CB-CD1 3.8Å; L577-I821 HydrophobicContact CD2-CD1 4.16Å; V578-I821 HydrophobicContact CG2-CD1 4.05Å; V578-I821 HydrophobicContact CG2-CG1 3.92Å; P817-I821 WeakPolarHBondContact O-CB 3.42Å; P817-I821 WeakPolarHBondContact O-CD1 3.44Å; P817-I821 VanDerWaalsContact O-CG1 3.23Å; P817-I821 WeakPolarHBondContact O-CG1 3.24Å; P817-I821 PolarHBondContact O-N 3.45Å; L818-I821 PolarHBondContact O-N 3.41Å; I821-F827 HydrophobicContact CB-CD1 4.29Å; I821-F827 HydrophobicContact CB-CE1 4.06Å; I821-F827 HydrophobicContact CB-CZ 4.5Å; I821-F827 HydrophobicContact CG1-CD1 4.32Å; I821-F827 HydrophobicContact CG1-CE1 3.82Å; I821-F827 HydrophobicContact CG1-CE2 4.2Å; I821-F827 HydrophobicContact CG1-CZ 3.75Å; I821-F827 HydrophobicContact CG2-CD1 4.21Å; I821-F827 HydrophobicContact CG2-CE1 3.77Å; I821-F827 HydrophobicContact CG2-CZ 4.47Å
822	L	73.8	Confident	72	Confident	88 Å²	88	51.9 Å²	51.9	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-76.1	-42.5	-173.6	-70.1	171.9	0	0	0	113	L818 L819 Y820 K828	L818-L822 HydrophobicContact CD1-CD1 3.98Å; L818-L822 HydrophobicContact CD1-CG 4.21Å; L818-L822 HydrophobicContact CG-CD1 4Å; L818-L822 VanDerWaalsContact O-CG 3.31Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.37Å; L819-L822 PolarHBondContact O-N 3.42Å; Y820-L822 PolarHBondContact O-N 2.97Å; L822-K828 WeakPolarHBondContact O-CE 3.34Å; L822-K828 PolarHBondContact O-NZ 2.9Å
823	F	68.1	Low	70.8	Confident	126 Å²	126	53.3 Å²	53.3	55%	0.553	27%	0.274	S	S	*	.	H	α-helix	trans	-106.4	-17.5	-166.7	-66.1	-75.6	0	0	0	115.2	L819 P825	L819-F823 HydrophobicContact CD2-CD2 4.05Å; L819-F823 HydrophobicContact CD2-CE2 3.78Å; L819-F823 WeakPolarHBondContact O-CB 3.34Å; L819-F823 WeakPolarHBondContact O-CD2 3.21Å; L819-F823 PolarHBondContact O-N 3.14Å; F823-P825 WeakPolarHBondContact O-CD 3.46Å
824	N	66.3	Low	69.6	Low	27 Å²	27	54.7 Å²	54.7	14%	0.144	28%	0.281	C	S	.	.			trans	-77.7	118.1	175.5	-175.6	-5.7	0	0	0	110.9	Y820 H826 F827	Y820-N824 HydrophobicContact CD2-CB 4.3Å; Y820-N824 HydrophobicContact CE2-CB 4.36Å; Y820-N824 WeakPolarHBondContact CE2-ND2 3.36Å; Y820-N824 WeakPolarHBondContact O-CB 3.49Å; Y820-N824 PolarHBondContact O-N 3.02Å; Y820-N824 VanDerWaalsContact O-N 3.09Å; Y820-N824 PolarHBondContact OH-ND2 2.91Å; N824-H826 PolarHBondContact O-N 3.07Å; N824-H826 PolarHBondContact OD1-N 3.04Å; N824-F827 HydrophobicContact CB-CB 4.05Å; N824-F827 PolarHBondContact O-N 3.31Å
825	P	59.5	Low	68.2	Low	73 Å²	73	56.4 Å²	56.4	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-42.1	178.3	25.1	-33.4	0	0	0	112.3	F823 F827 K828 E829	F823-P825 WeakPolarHBondContact O-CD 3.46Å; P825-F827 PolarHBondContact O-N 3.44Å; P825-K828 WeakPolarHBondContact O-CB 3.49Å; P825-K828 PolarHBondContact O-N 3.35Å; P825-E829 PolarHBondContact O-N 3.23Å
826	H	59.7	Low	66.9	Low	117 Å²	117	61 Å²	61	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-24.8	-178.7	-65.2	-42.1	0	0	0	113.4	N824 K828 E829 D830	N824-H826 PolarHBondContact O-N 3.07Å; N824-H826 PolarHBondContact OD1-N 3.04Å; H826-K828 VanDerWaalsContact C-N 3.28Å; H826-K828 PolarHBondContact O-N 2.89Å; H826-E829 WeakPolarHBondContact CA-OE2 3.49Å; H826-E829 IonicContact CE1-OE2 3.72Å; H826-E829 IonicContact CG-OE2 3.01Å; H826-E829 IonicContact ND1-OE2 3.71Å; H826-E829 PolarHBondContact ND1-OE2 3Å; H826-E829 PolarHBondContact O-N 3.2Å; H826-D830 WeakPolarHBondContact O-CB 3.05Å; H826-D830 PolarHBondContact O-N 3.43Å
827	F	63	Low	65.5	Low	2 Å²	2	66 Å²	66	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-35.6	174.1	-179.1	-94.1	0	0	0	111.6	L577 V578 T581 Y820 I821 N824 P825 E829 L831	L577-F827 HydrophobicContact CD2-CE1 4.3Å; L577-F827 HydrophobicContact CD2-CZ 3.79Å; L577-F827 HydrophobicContact CG-CZ 4Å; V578-F827 HydrophobicContact CG2-CE2 4.37Å; T581-F827 HydrophobicContact CG2-CE2 3.69Å; T581-F827 HydrophobicContact CG2-CZ 4.06Å; T581-F827 WeakPolarHBondContact OG1-CE2 3.49Å; Y820-F827 HydrophobicContact CD1-CD2 4.21Å; Y820-F827 HydrophobicContact CE1-CB 4.42Å; Y820-F827 AromaticContact CE1-CD2 3.78Å; Y820-F827 HydrophobicContact CE1-CD2 3.78Å; Y820-F827 HydrophobicContact CE1-CG 4.4Å; I821-F827 HydrophobicContact CB-CD1 4.29Å; I821-F827 HydrophobicContact CB-CE1 4.06Å; I821-F827 HydrophobicContact CB-CZ 4.5Å; I821-F827 HydrophobicContact CG1-CD1 4.32Å; I821-F827 HydrophobicContact CG1-CE1 3.82Å; I821-F827 HydrophobicContact CG1-CE2 4.2Å; I821-F827 HydrophobicContact CG1-CZ 3.75Å; I821-F827 HydrophobicContact CG2-CD1 4.21Å; I821-F827 HydrophobicContact CG2-CE1 3.77Å; I821-F827 HydrophobicContact CG2-CZ 4.47Å; N824-F827 HydrophobicContact CB-CB 4.05Å; N824-F827 PolarHBondContact O-N 3.31Å; P825-F827 PolarHBondContact O-N 3.44Å; F827-E829 VanDerWaalsContact C-N 3.34Å; F827-L831 HydrophobicContact CE1-CB 4.41Å; F827-L831 HydrophobicContact CE1-CD2 4.09Å; F827-L831 WeakPolarHBondContact O-CB 3.38Å; F827-L831 PolarHBondContact O-N 2.75Å
828	K	63.2	Low	64.1	Low	115 Å²	115	69.6 Å²	69.6	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-70.3	-34	177.4	-64.8	171.7	-174.6	165.5	0	111.2	L822 P825 H826 V832	L822-K828 WeakPolarHBondContact O-CE 3.34Å; L822-K828 PolarHBondContact O-NZ 2.9Å; P825-K828 WeakPolarHBondContact O-CB 3.49Å; P825-K828 PolarHBondContact O-N 3.35Å; H826-K828 VanDerWaalsContact C-N 3.28Å; H826-K828 PolarHBondContact O-N 2.89Å; K828-V832 WeakPolarHBondContact O-CB 3.18Å; K828-V832 VanDerWaalsContact O-CG2 3.23Å; K828-V832 WeakPolarHBondContact O-CG2 3.37Å; K828-V832 PolarHBondContact O-N 3.4Å
829	E	62.1	Low	62.1	Low	118 Å²	118	76.2 Å²	76.2	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-69.9	-49.3	175.1	-60.2	176.4	133.6	0	0	111.7	P825 H826 F827 L831 V832 S833	P825-E829 PolarHBondContact O-N 3.23Å; H826-E829 WeakPolarHBondContact CA-OE2 3.49Å; H826-E829 IonicContact CE1-OE2 3.72Å; H826-E829 IonicContact CG-OE2 3.01Å; H826-E829 IonicContact ND1-OE2 3.71Å; H826-E829 PolarHBondContact ND1-OE2 3Å; H826-E829 PolarHBondContact O-N 3.2Å; F827-E829 VanDerWaalsContact C-N 3.34Å; E829-L831 VanDerWaalsContact C-N 3.32Å; E829-L831 PolarHBondContact O-N 3.44Å; E829-V832 PolarHBondContact O-N 3.2Å; E829-S833 PolarHBondContact O-N 3.39Å
830	D	63.2	Low	60.4	Low	31 Å²	31	83 Å²	83	17%	0.166	41%	0.413	C	S	.	.	H	α-helix	trans	-56	-45.8	173.2	-79.1	-15.6	0	0	0	110.5	K593 H826 S833 L834	K593-D830 VanDerWaalsContact NZ-CG 3.3Å; K593-D830 IonicContact NZ-OD1 2.75Å; K593-D830 PolarHBondContact NZ-OD1 3.27Å; K593-D830 VanDerWaalsContact NZ-OD1 3.14Å; K593-D830 IonicContact NZ-OD2 3.14Å; K593-D830 PolarHBondContact NZ-OD2 3.41Å; H826-D830 WeakPolarHBondContact O-CB 3.05Å; H826-D830 PolarHBondContact O-N 3.43Å; D830-S833 WeakPolarHBondContact O-CB 3.49Å; D830-S833 PolarHBondContact O-N 3.03Å; D830-S833 PolarHBondContact O-OG 3.2Å; D830-L834 PolarHBondContact O-N 3.45Å; D830-L834 VanDerWaalsContact O-N 3.12Å
831	L	64.3	Low	58.6	Low	68 Å²	68	90.4 Å²	90.4	36%	0.356	44%	0.441	S	S	.	.	H	α-helix	trans	-65.3	-39.5	178.8	-172.5	69.9	0	0	0	112.8	L577 T581 F827 E829 S833 L834 G835	L577-L831 HydrophobicContact CD1-CD1 4.21Å; T581-L831 HydrophobicContact CG2-CD1 4.34Å; F827-L831 HydrophobicContact CE1-CB 4.41Å; F827-L831 HydrophobicContact CE1-CD2 4.09Å; F827-L831 WeakPolarHBondContact O-CB 3.38Å; F827-L831 PolarHBondContact O-N 2.75Å; E829-L831 VanDerWaalsContact C-N 3.32Å; E829-L831 PolarHBondContact O-N 3.44Å; L831-S833 VanDerWaalsContact C-N 3.31Å; L831-S833 PolarHBondContact O-N 3.24Å; L831-L834 PolarHBondContact O-N 3.45Å; L831-G835 PolarHBondContact O-N 3.31Å
832	V	62.3	Low	56.8	Low	82 Å²	82	94.3 Å²	94.3	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-66	-33	174.2	163.8	0	0	0	0	111.6	K828 E829 K836	K828-V832 WeakPolarHBondContact O-CB 3.18Å; K828-V832 VanDerWaalsContact O-CG2 3.23Å; K828-V832 WeakPolarHBondContact O-CG2 3.37Å; K828-V832 PolarHBondContact O-N 3.4Å; E829-V832 PolarHBondContact O-N 3.2Å; V832-K836 HydrophobicContact CG1-CD 4.3Å; V832-K836 WeakPolarHBondContact O-CG 3.43Å; V832-K836 PolarHBondContact O-N 3.25Å
833	S	60	Low	55	Low	57 Å²	57	101.2 Å²	101.2	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-43.5	171.9	85.6	0	0	0	0	111.3	E829 D830 L831 G835 K836 Q837	E829-S833 PolarHBondContact O-N 3.39Å; D830-S833 WeakPolarHBondContact O-CB 3.49Å; D830-S833 PolarHBondContact O-N 3.03Å; D830-S833 PolarHBondContact O-OG 3.2Å; L831-S833 VanDerWaalsContact C-N 3.31Å; L831-S833 PolarHBondContact O-N 3.24Å; S833-G835 PolarHBondContact O-N 3.06Å; S833-K836 PolarHBondContact O-N 3.16Å; S833-Q837 PolarHBondContact O-N 3.45Å
834	L	59.5	Low	53.4	Low	33 Å²	33	99 Å²	99	17%	0.173	49%	0.486	C	S	.	.	H	α-helix	trans	-67	-37.2	-179.8	-145	148.1	0	0	0	111.4	T581 R584 D830 L831 Q837 T838	T581-L834 HydrophobicContact CG2-CD1 4.15Å; R584-L834 HydrophobicContact CB-CD1 4.39Å; D830-L834 PolarHBondContact O-N 3.45Å; D830-L834 VanDerWaalsContact O-N 3.12Å; L831-L834 PolarHBondContact O-N 3.45Å; L834-Q837 PolarHBondContact O-N 3.01Å; L834-T838 PolarHBondContact O-N 3.43Å; L834-T838 VanDerWaalsContact O-N 3.08Å; L834-T838 PolarHBondContact O-OG1 3.44Å
835	G	56.9	Low	52	Low	38 Å²	38	105.7 Å²	105.7	39%	0.392	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-36.6	171.7	0	0	0	0	0	114.2	L831 S833 Q837 T838 Y839	L831-G835 PolarHBondContact O-N 3.31Å; S833-G835 PolarHBondContact O-N 3.06Å; G835-Q837 VanDerWaalsContact C-N 3.33Å; G835-T838 PolarHBondContact O-OG1 3.23Å; G835-T838 VanDerWaalsContact O-OG1 3.04Å; G835-Y839 WeakPolarHBondContact O-CB 3.49Å; G835-Y839 PolarHBondContact O-N 3.17Å; G835-Y839 VanDerWaalsContact O-N 3.1Å
836	K	55.4	Low	50.6	Low	143 Å²	143	111 Å²	111	62%	0.622	53%	0.532	S	S	*	.	H	α-helix	trans	-67	-36.2	173	-73.1	168.5	-179	176	0	111.6	V832 S833 Y839 F840	V832-K836 HydrophobicContact CG1-CD 4.3Å; V832-K836 WeakPolarHBondContact O-CG 3.43Å; V832-K836 PolarHBondContact O-N 3.25Å; S833-K836 PolarHBondContact O-N 3.16Å; K836-Y839 PolarHBondContact O-N 3.04Å; K836-F840 PolarHBondContact O-N 3.48Å
837	Q	49.4	Very low	49.4	Very low	120 Å²	120	111.3 Å²	111.3	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-72.3	-35.8	-179.8	-153.5	170	17.8	0	0	112.4	S833 L834 G835 F840 W841	S833-Q837 PolarHBondContact O-N 3.45Å; L834-Q837 PolarHBondContact O-N 3.01Å; G835-Q837 VanDerWaalsContact C-N 3.33Å; Q837-F840 PolarHBondContact O-N 3.33Å; Q837-W841 PolarHBondContact O-N 3.21Å
838	T	50.7	Low	47.6	Very low	84 Å²	84	116.3 Å²	116.3	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-71	-33.8	170.9	51.1	0	0	0	0	112.8	L834 G835 F840 W841 T842	L834-T838 PolarHBondContact O-N 3.43Å; L834-T838 VanDerWaalsContact O-N 3.08Å; L834-T838 PolarHBondContact O-OG1 3.44Å; G835-T838 PolarHBondContact O-OG1 3.23Å; G835-T838 VanDerWaalsContact O-OG1 3.04Å; T838-F840 VanDerWaalsContact C-N 3.26Å; T838-F840 PolarHBondContact O-N 3.25Å; T838-W841 WeakPolarHBondContact O-CB 3.49Å; T838-W841 PolarHBondContact O-N 3.47Å; T838-T842 PolarHBondContact O-N 2.83Å; T838-T842 VanDerWaalsContact O-N 3.15Å; T838-T842 PolarHBondContact O-OG1 2.99Å
839	Y	40.2	Very low	46	Very low	185 Å²	185	118.4 Å²	118.4	73%	0.725	60%	0.596	S	S	*	*	H	α-helix	trans	-64.5	-28.9	173.9	-149.6	-90	0	0	0	113.1	G835 K836 T842	G835-Y839 WeakPolarHBondContact O-CB 3.49Å; G835-Y839 PolarHBondContact O-N 3.17Å; G835-Y839 VanDerWaalsContact O-N 3.1Å; K836-Y839 PolarHBondContact O-N 3.04Å; Y839-T842 PolarHBondContact O-OG1 3.27Å
840	F	39.4	Very low	44.3	Very low	173 Å²	173	121 Å²	121	76%	0.759	61%	0.61	S	S	*	*	H	α-helix	trans	-67.9	-35.9	169.9	-113.6	-89.4	0	0	0	112.2	K836 Q837 T838 R843	K836-F840 PolarHBondContact O-N 3.48Å; Q837-F840 PolarHBondContact O-N 3.33Å; T838-F840 VanDerWaalsContact C-N 3.26Å; T838-F840 PolarHBondContact O-N 3.25Å; F840-R843 PolarHBondContact O-N 3.17Å
841	W	36.3	Very low	42.4	Very low	192 Å²	192	123.7 Å²	123.7	73%	0.727	63%	0.631	S	S	*	*	H	α-helix	trans	-76.9	-22.7	-178.2	-126.3	65.2	0	0	0	114	Q837 T838 R843 S844	Q837-W841 PolarHBondContact O-N 3.21Å; T838-W841 WeakPolarHBondContact O-CB 3.49Å; T838-W841 PolarHBondContact O-N 3.47Å; W841-R843 VanDerWaalsContact C-N 3.33Å; W841-S844 PolarHBondContact O-OG 3.01Å
842	T	39.8	Very low	40.7	Very low	108 Å²	108	127.5 Å²	127.5	66%	0.663	65%	0.65	S	S	*	*	H	α-helix	trans	-76.7	-17.2	171.7	40.9	0	0	0	0	113.5	T838 Y839	T838-T842 PolarHBondContact O-N 2.83Å; T838-T842 VanDerWaalsContact O-N 3.15Å; T838-T842 PolarHBondContact O-OG1 2.99Å; Y839-T842 PolarHBondContact O-OG1 3.27Å
843	R	34.7	Very low	39	Very low	233 Å²	233	130.1 Å²	130.1	88%	0.879	66%	0.662	S	S	*	*	S	Bend	trans	-95.9	-8	179.6	-152.8	174.5	-175	-177.5	1.5	114.6	F840 W841	F840-R843 PolarHBondContact O-N 3.17Å; W841-R843 VanDerWaalsContact C-N 3.33Å
844	S	36.4	Very low	37.4	Very low	79 Å²	79	131.9 Å²	131.9	55%	0.552	67%	0.674	S	S	*	*	S	Bend	trans	-90.8	6.6	-178.8	57.7	0	0	0	0	115.1	W841	W841-S844 PolarHBondContact O-OG 3.01Å
845	K	36.2	Very low	36	Very low	168 Å²	168	136.4 Å²	136.4	73%	0.73	70%	0.698	S	S	*	*			trans	-100.1	73.1	178.5	-75.2	-169.3	174	-176.7	0	113.7
846	H	30.2	Very low	34.8	Very low	184 Å²	184	141.4 Å²	141.4	85%	0.852	72%	0.716	S	S	*	*			trans	-128.6	119.5	149.6	-98.8	-72.6	0	0	0	108.7
847	P	34.1	Very low	33.7	Very low	125 Å²	125	140.2 Å²	140.2	81%	0.812	72%	0.72	S	S	*	*			trans	-99.6	121.8	-168	35.1	-32.8	0	0	0	114.6
848	S	26.1	Very low	32.7	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	72%	0.723	S	S	*	*			trans	-167.5	110.8	161.4	54	0	0	0	0	106.5
849	L	28.9	Very low	31.6	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	73%	0.728	S	S	*	*				118.6	124.7	56.2	-116	167.6	0	0	0	105.9
850	M	25.8	Very low	31	Very low	173 Å²	173	142.7 Å²	142.7	85%	0.852	73%	0.73	S	S	*	*			trans	64.7	162.9	176	-64.6	-177.6	169.5	0	0	117.4
851	S	24.3	Very low	30.4	Very low	87 Å²	87	139.2 Å²	139.2	61%	0.608	73%	0.727	S	S	*	*			cis	-171.2	143.1	-43	58.3	0	0	0	0	111.2
852	I	27.3	Very low	29.9	Very low	149 Å²	149	135 Å²	135	76%	0.764	73%	0.727	S	S	*	*			trans	70	143.4	147.1	-69.8	166.9	0	0	0	118.2
853	N	27	Very low	29.3	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	73%	0.729	S	S	*	*			trans	64.3	132.6	174.9	-69.3	8	0	0	0	116.3
854	S	27	Very low	29	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	72%	0.718	S	S	*	*			cis	75.8	110.8	29.7	-156.5	0	0	0	0	113.8
855	D	29.6	Very low	28.6	Very low	127 Å²	127	131.3 Å²	131.3	68%	0.679	73%	0.726	S	S	*	*				170.1	136.8	115	-77.8	-9.7	0	0	0	110.3
856	D	32.4	Very low	28.2	Very low	144 Å²	144	132 Å²	132	77%	0.77	73%	0.732	S	S	*	*			trans	45.7	149.6	134.5	-71.7	5.8	0	0	0	124.1
857	V	31.4	Very low	28	Very low	117 Å²	117	127.9 Å²	127.9	71%	0.709	73%	0.729	S	S	*	*			cis	-169	170.5	-19.8	72.2	0	0	0	0	110.4
858	E	28.5	Very low	27.6	Very low	132 Å²	132	129.6 Å²	129.6	62%	0.617	73%	0.731	S	S	*	*			trans	68.3	114.6	155.1	-66.6	-158.5	152	0	0	124.5
859	K	27.4	Very low	27.6	Very low	144 Å²	144	129.6 Å²	129.6	63%	0.626	73%	0.726	S	S	*	*				73.9	133.1	118.5	-68.5	173.4	-179.4	160.5	0	124.3
860	Q	27.3	Very low	27.4	Very low	165 Å²	165	128.2 Å²	128.2	77%	0.771	72%	0.724	S	S	*	*			trans	73.5	127.3	138.1	-71.8	175	-72.8	0	0	118.1
861	S	26.7	Very low	27.4	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	72%	0.72	S	S	*	*				77.1	126.7	58.4	174.1	0	0	0	0	111.8
862	C	27.7	Very low	27.4	Very low	105 Å²	105	130.2 Å²	130.2	71%	0.709	73%	0.728	S	S	*	*			cis	-157.6	178.2	1.6	-125.8	0	0	0	0	112
863	D	26.1	Very low	27.4	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	73%	0.725	S	S	*	*			trans	61.3	108	149.6	-84.2	-69.5	0	0	0	123.8
864	S	27.8	Very low	27.3	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	73%	0.731	S	S	*	*				82.5	144.4	110.7	-68.6	0	0	0	0	124.9
865	T	28.2	Very low	27.3	Very low	117 Å²	117	128 Å²	128	72%	0.718	74%	0.736	S	S	*	*			trans	74.7	96.5	151.4	39.4	0	0	0	0	123.2
866	Q	27.6	Very low	27.2	Very low	183 Å²	183	129.5 Å²	129.5	86%	0.855	74%	0.743	S	S	*	*				62.5	127.3	120.1	-67.2	-177	-7.5	0	0	123.7
867	A	25.8	Very low	26.9	Very low	96 Å²	96	126.7 Å²	126.7	79%	0.793	74%	0.739	S	S	*	*			trans	67.3	148	148.1	0	0	0	0	0	118.7
868	L	25.7	Very low	26.7	Very low	162 Å²	162	130.6 Å²	130.6	85%	0.848	74%	0.743	S	S	*	*			cis	-147.8	160.8	18.1	-164.5	68.5	0	0	0	113
869	V	26.2	Very low	26.6	Very low	107 Å²	107	132.2 Å²	132.2	65%	0.648	76%	0.756	S	S	*	*			trans	-44	140.4	-178.9	-171.8	0	0	0	0	117.4
870	T	24.6	Very low	26.7	Very low	128 Å²	128	131.9 Å²	131.9	79%	0.785	76%	0.76	S	S	*	*			trans	168	160.3	136.7	30.3	0	0	0	0	110.9
871	F	26.3	Very low	28.1	Very low	177 Å²	177	129 Å²	129	78%	0.776	76%	0.755	S	S	*	*			cis	-159.5	-169.2	-47.4	-131.8	-21.5	0	0	0	111.1
872	T	25.3	Very low	29	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	76%	0.757	S	S	*	*			trans	57.9	148.6	168.2	57	0	0	0	0	121.1
873	S	25.8	Very low	29.1	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	76%	0.76	S	S	*	*			cis	-177.1	131.4	-43	46.8	0	0	0	0	111.6
874	S	25.4	Very low	29.3	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	76%	0.763	S	S	*	*			trans	-158.9	106.1	152	-11.3	0	0	0	0	113.9
875	S	26.4	Very low	29.5	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	77%	0.771	S	S	*	*			trans	-46.4	166.2	150.2	56.5	0	0	0	0	113.4
876	I	29.2	Very low	30.2	Very low	160 Å²	160	130.3 Å²	130.3	82%	0.821	77%	0.77	S	S	*	*			cis	-165.9	166.2	21.3	-143.4	166.4	0	0	0	107.9
877	A	25.6	Very low	30.4	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	77%	0.765	S	S	*	*			cis	-151.2	-146.6	13.8	0	0	0	0	0	113.9
878	Y	27.1	Very low	31.5	Very low	199 Å²	199	128.1 Å²	128.1	78%	0.78	77%	0.766	S	S	*	*			trans	-108.3	166.5	-171.2	-74.9	-96.2	0	0	0	114.7	L880	Y878-L880 HydrophobicContact CD1-CD1 3.63Å; Y878-L880 HydrophobicContact CE1-CD1 4.21Å
879	D	26.4	Very low	31.5	Very low	167 Å²	167	125 Å²	125	89%	0.893	76%	0.764	S	S	*	*				-152.4	169.6	117.1	-132.1	-30.3	0	0	0	112.2
880	L	29.3	Very low	31.6	Very low	137 Å²	137	130 Å²	130	72%	0.717	77%	0.772	S	S	*	*			trans	-126.1	-179.4	-162	-111.3	83.3	0	0	0	116.3	Y878	Y878-L880 HydrophobicContact CD1-CD1 3.63Å; Y878-L880 HydrophobicContact CE1-CD1 4.21Å
881	P	57.3	Low	32	Very low	103 Å²	103	129.7 Å²	129.7	67%	0.669	77%	0.772	S	S	*	*			trans	-106.4	-156.1	-159.8	42.7	-37.9	0	0	0	114.9
882	P	45.7	Very low	32.1	Very low	115 Å²	115	126.7 Å²	126.7	75%	0.747	77%	0.768	S	S	*	*				-150.7	-170.9	109.3	40.7	-23.6	0	0	0	117.1
883	S	28.9	Very low	32	Very low	108 Å²	108	127.1 Å²	127.1	76%	0.755	77%	0.771	S	S	*	*			trans	78.6	121.8	178	70.2	0	0	0	0	116.6
884	S	29.8	Very low	32	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	78%	0.777	S	S	*	*			cis	73.1	137.2	13	90.9	0	0	0	0	115.7
885	V	32.3	Very low	31.9	Very low	133 Å²	133	129.9 Å²	129.9	81%	0.806	77%	0.77	S	S	*	*			cis	-141.3	163.3	24.8	162.7	0	0	0	0	111.7
886	P	44.2	Very low	31.7	Very low	108 Å²	108	129.6 Å²	129.6	70%	0.701	77%	0.767	S	S	*	*			trans	-127.4	-169.8	-162.9	40	-22.3	0	0	0	117.9
887	S	30.2	Very low	31.5	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	77%	0.768	S	S	*	*			trans	91.4	177.8	154.1	-49.8	0	0	0	0	118.3
888	P	49.5	Very low	31.6	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	77%	0.774	S	S	*	*				-139.1	178.2	-79.4	43.3	-27.3	0	0	0	115
889	A	26	Very low	31.4	Very low	97 Å²	97	130.2 Å²	130.2	80%	0.802	78%	0.776	S	S	*	*			trans	-173.3	127.1	142.3	0	0	0	0	0	114.1
890	Y	27.7	Very low	31.3	Very low	213 Å²	213	127.8 Å²	127.8	84%	0.835	77%	0.772	S	S	*	*			trans	-101.8	166.6	146.3	-90.2	-94.2	0	0	0	107.6	V892	Y890-V892 HydrophobicContact CD1-CG2 4.33Å
891	P	34.5	Very low	31.5	Very low	121 Å²	121	126.9 Å²	126.9	79%	0.786	77%	0.773	S	S	*	*				-136.2	158.1	102.9	37.9	-29.1	0	0	0	114.4
892	V	27.5	Very low	30	Very low	114 Å²	114	126.8 Å²	126.8	69%	0.691	78%	0.78	S	S	*	*			trans	-108.8	132.3	165.3	172.8	0	0	0	0	107.9	Y890	Y890-V892 HydrophobicContact CD1-CG2 4.33Å
893	T	24.1	Very low	29.3	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	78%	0.783	S	S	*	*			trans	-151.6	116.8	157.7	42.6	0	0	0	0	110.8
894	E	24.3	Very low	29.5	Very low	177 Å²	177	131.7 Å²	131.7	83%	0.827	79%	0.788	S	S	*	*			trans	-69	166.4	151.5	-54.3	160.9	113.8	0	0	107.8
895	S	23.3	Very low	30.5	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	78%	0.782	S	S	*	*			cis	-172	167.2	36.4	49	0	0	0	0	111.9
896	C	22.5	Very low	30.2	Very low	103 Å²	103	130.9 Å²	130.9	70%	0.696	78%	0.784	S	S	*	*			trans	39.6	129.5	150.4	-59.9	0	0	0	0	121
897	H	24.7	Very low	29.6	Very low	182 Å²	182	137.3 Å²	137.3	84%	0.843	81%	0.812	S	S	*	*				-160.5	166.1	68.2	-109.5	-82	0	0	0	115.9
898	L	27.4	Very low	29.6	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	81%	0.814	S	S	*	*			trans	-79.5	146.7	-178.1	-86.2	64.4	0	0	0	115.3
899	S	22.9	Very low	28.6	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	82%	0.815	S	S	*	*			trans	178.5	153.3	130	41	0	0	0	0	110.6
900	S	26.3	Very low	28.7	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	82%	0.816	S	S	*	*			cis	-160.3	155.7	-22.6	50.2	0	0	0	0	110.8
901	V	31.6	Very low	28.8	Very low	119 Å²	119	137.8 Å²	137.8	72%	0.721	82%	0.815	S	S	*	*			trans	-57.4	148.3	179.7	175.4	0	0	0	0	114.3	F903	V901-F903 HydrophobicContact CG1-CD2 3.75Å; V901-F903 HydrophobicContact CG1-CE2 4.1Å
902	A	27	Very low	28.4	Very low	100 Å²	100	138.8 Å²	138.8	83%	0.826	82%	0.816	S	S	*	*			trans	-141.3	134.4	148.6	0	0	0	0	0	110.6
903	F	31.8	Very low	28.5	Very low	186 Å²	186	140.5 Å²	140.5	82%	0.816	83%	0.825	S	S	*	*			trans	-96.5	151.7	177	-95.7	-102.5	0	0	0	111.4	V901	V901-F903 HydrophobicContact CG1-CD2 3.75Å; V901-F903 HydrophobicContact CG1-CE2 4.1Å
904	V	31.8	Very low	28.8	Very low	141 Å²	141	140.9 Å²	140.9	86%	0.855	83%	0.825	S	S	*	*			trans	-137.1	125.8	157.9	-177.4	0	0	0	0	108.6
905	P	51.4	Low	29.1	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	83%	0.825	S	S	*	*			trans	-108.1	-178.8	-180	40.9	-34.5	0	0	0	113.7
906	C	25.8	Very low	29.6	Very low	126 Å²	126	141 Å²	141	85%	0.851	83%	0.833	S	S	*	*			trans	72.2	138	-177.8	-57.7	0	0	0	0	114
907	L	32.2	Very low	30.3	Very low	243 Å²	243	144.5 Å²	144.5	100%	1.272	85%	0.845	S	S	*	*			cis	-121.7	0	10.5	-117.6	157.4	0	0	0	111.9

Retrieved 907 of 907 residues in 1335.6 ms (Link to these results)

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