A0A087X6Z5_POEFO Loading...

Thyrotropin receptor

Receptor for the thyroid-stimulating hormone (TSH) or thyrotropin. Also acts as a receptor for the heterodimeric glycoprotein hormone (GPHA2:GPHB5) or thyrostimulin. The activity of this receptor is mediated by G proteins which activate adenylate cyclase. Plays a central role in controlling thyroid cell metabolism.

AlphaFold DB , UniProt , Accession A0A087X6Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene TSHR, Length 782 aa.

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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	S	34	Very low	34.8	Very low	177 Å²	177	154.2 Å²	154.2	100%	1.238	84%	0.837	S	S	*	*				0	159.7	0	27.1	0	0	0	0	109.6
2	S	29.6	Very low	34.8	Very low	113 Å²	113	152.8 Å²	152.8	79%	0.79	83%	0.827	S	S	*	*			trans	1.9	140.2	165.8	179.9	0	0	0	0	120.8
3	T	32.2	Very low	35	Very low	115 Å²	115	148.8 Å²	148.8	71%	0.706	81%	0.811	S	S	*	*			cis	-162.1	157.2	-24.3	-50.8	0	0	0	0	107.4
4	R	37.7	Very low	35	Very low	239 Å²	239	145.2 Å²	145.2	90%	0.902	80%	0.801	S	S	*	*			trans	-87.6	137.5	165.8	-60.6	-177.3	-174.5	-170.9	1.8	110.8
5	L	29.4	Very low	35	Very low	165 Å²	165	139.8 Å²	139.8	86%	0.864	78%	0.783	S	S	*	*			trans	-124.4	159.9	163.8	-104.1	86.9	0	0	0	112.2
6	R	33.3	Very low	34.9	Very low	218 Å²	218	140.6 Å²	140.6	82%	0.823	78%	0.784	S	S	*	*			trans	-96.7	156.6	-178.1	-71.5	175.9	170.9	170.7	-4.6	112	T8	R6-T8 PolarHBondContact O-N 3.01Å
7	P	38.1	Very low	34.9	Very low	129 Å²	129	141.5 Å²	141.5	84%	0.838	79%	0.785	S	S	*	*			trans	-84.5	104.6	171.5	32.9	-31.7	0	0	0	111.6
8	T	35	Very low	35	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	78%	0.778	S	S	*	*			trans	-143.1	34.9	176.9	55.3	0	0	0	0	113.4	R6	R6-T8 PolarHBondContact O-N 3.01Å
9	T	35.3	Very low	34.9	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	78%	0.779	S	S	*	*			trans	-136.1	6.9	-171.4	33.2	0	0	0	0	116.1
10	Q	38.5	Very low	35.1	Very low	175 Å²	175	141.6 Å²	141.6	82%	0.818	78%	0.783	S	S	*	*	S	Bend	trans	-99.5	-1.8	176.9	-79.8	-175.8	-32.4	0	0	115.2
11	V	39.7	Very low	35	Very low	125 Å²	125	141.3 Å²	141.3	76%	0.758	79%	0.785	S	S	*	*	S	Bend	trans	-88.8	-26.4	-177	-177.5	0	0	0	0	112.8
12	L	35.3	Very low	34.9	Very low	138 Å²	138	140.4 Å²	140.4	72%	0.723	77%	0.766	S	S	*	*	S	Bend	trans	-82.8	-25.1	-172.9	-120.7	71	0	0	0	114.6	A15	L12-A15 PolarHBondContact O-N 3.01Å
13	T	36.5	Very low	34.8	Very low	101 Å²	101	140.4 Å²	140.4	62%	0.62	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-19.7	-177.8	41	0	0	0	0	113.8
14	C	35.4	Very low	34.9	Very low	98 Å²	98	142.6 Å²	142.6	66%	0.662	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-13.6	173.9	-68.4	0	0	0	0	113.9
15	A	34.7	Very low	34.8	Very low	64 Å²	64	136.6 Å²	136.6	53%	0.529	76%	0.764	S	S	.	*	S	Bend	trans	-93	-5.3	-172.4	0	0	0	0	0	114.9	L12	L12-A15 PolarHBondContact O-N 3.01Å
16	L	33.6	Very low	34.8	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	75%	0.752	S	S	*	*	S	Bend	trans	-114.3	0.4	-172.3	-98.3	155.7	0	0	0	114.6
17	L	35.4	Very low	34.7	Very low	156 Å²	156	127 Å²	127	82%	0.817	75%	0.748	S	S	*	*	S	Bend	trans	-101.2	-0.3	176.1	-96	159.3	0	0	0	113.6
18	T	35.3	Very low	34.2	Very low	106 Å²	106	129.9 Å²	129.9	65%	0.65	75%	0.75	S	S	*	*	S	Bend	trans	-100.5	22.9	-170.8	54	0	0	0	0	114.3
19	L	34.2	Very low	34.2	Very low	152 Å²	152	129.6 Å²	129.6	80%	0.796	74%	0.744	S	S	*	*	S	Bend	trans	-134.2	8.9	-170.9	-97	169.4	0	0	0	116.3
20	I	38.5	Very low	34.2	Very low	168 Å²	168	130.3 Å²	130.3	86%	0.862	74%	0.739	S	S	*	*			trans	-132.8	66.7	173.2	-44.8	-179.2	0	0	0	111.4
21	T	33	Very low	34.6	Very low	136 Å²	136	125.5 Å²	125.5	83%	0.834	72%	0.723	S	S	*	*			trans	-140.5	112.2	155.3	36.1	0	0	0	0	109.3
22	L	32.3	Very low	35.1	Very low	158 Å²	158	125.8 Å²	125.8	83%	0.827	71%	0.711	S	S	*	*			trans	-72.4	142.4	166.3	-78.8	162.2	0	0	0	109	I24	L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 PolarHBondContact O-N 3.39Å
23	P	28.1	Very low	36.1	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	70%	0.695	S	S	*	*			trans	-74.6	86.1	176.7	31.3	-34.3	0	0	0	110.1	S25	P23-S25 PolarHBondContact O-N 3.32Å; P23-S25 VanDerWaalsContact O-N 3.13Å
24	I	32.9	Very low	37.3	Very low	162 Å²	162	118.4 Å²	118.4	83%	0.831	68%	0.675	S	S	*	*			trans	-64.6	110	159	-61.8	175.9	0	0	0	106	L22 G26	L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 PolarHBondContact O-N 3.39Å; I24-G26 PolarHBondContact O-N 3.23Å
25	S	37.2	Very low	38.5	Very low	113 Å²	113	117.4 Å²	117.4	79%	0.79	67%	0.667	S	S	*	*			trans	-73.6	62.8	-179.8	-63.9	0	0	0	0	112.2	P23 T27	P23-S25 PolarHBondContact O-N 3.32Å; P23-S25 VanDerWaalsContact O-N 3.13Å; S25-T27 PolarHBondContact O-N 2.91Å
26	G	27.6	Very low	39.7	Very low	59 Å²	59	117.8 Å²	117.8	61%	0.608	66%	0.663	S	S	*	*			trans	-74.3	108.2	162.8	0	0	0	0	0	109.2	I24 E28	I24-G26 PolarHBondContact O-N 3.23Å; G26-E28 VanDerWaalsContact C-N 3.29Å; G26-E28 PolarHBondContact O-N 3.16Å
27	T	31.6	Very low	41	Very low	122 Å²	122	120.4 Å²	120.4	75%	0.748	66%	0.662	S	S	*	*			trans	-76.5	78.8	177.2	51.8	0	0	0	0	110.8	S25 L29	S25-T27 PolarHBondContact O-N 2.91Å; T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.17Å
28	E	28.1	Very low	42.2	Very low	189 Å²	189	115.5 Å²	115.5	88%	0.883	65%	0.649	S	S	*	*			trans	-66.4	92.4	163.3	-71.8	-161.6	137.2	0	0	109.4	G26 Q30	G26-E28 VanDerWaalsContact C-N 3.29Å; G26-E28 PolarHBondContact O-N 3.16Å; E28-Q30 PolarHBondContact O-N 3.05Å
29	L	34.4	Very low	43.9	Very low	113 Å²	113	115.4 Å²	115.4	59%	0.592	65%	0.645	S	S	*	*			trans	-61.9	120.7	170.6	-106.1	72.1	0	0	0	109.4	T27	T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.17Å
30	Q	36.7	Very low	46.2	Very low	137 Å²	137	109.6 Å²	109.6	64%	0.64	62%	0.616	S	S	*	*			trans	-53.3	125.7	165.7	-70.2	177.2	-25.9	0	0	109.3	E28 Y32 S33	E28-Q30 PolarHBondContact O-N 3.05Å; Q30-Y32 PolarHBondContact O-N 2.96Å; Q30-S33 PolarHBondContact O-N 3.1Å; Q30-S33 PolarHBondContact OE1-OG 3.21Å
31	P	46	Very low	48.2	Very low	74 Å²	74	103 Å²	103	48%	0.481	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	2.1	-169.2	23.2	-32.5	0	0	0	115.7
32	Y	50.3	Low	50.5	Low	130 Å²	130	102.3 Å²	102.3	51%	0.51	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.1	2.4	-176.3	-56	-72.7	0	0	0	114	Q30 Y93	Q30-Y32 PolarHBondContact O-N 2.96Å; Y32-Y93 AromaticContact CD1-CE2 3.7Å; Y32-Y93 HydrophobicContact CD1-CE2 3.7Å; Y32-Y93 AromaticContact CD1-CZ 3.86Å; Y32-Y93 HydrophobicContact CE1-CE2 4.37Å; Y32-Y93 WeakPolarHBondContact CE1-OH 3.17Å
33	S	55.5	Low	52.3	Low	56 Å²	56	97.2 Å²	97.2	39%	0.392	54%	0.542	S	S	.	.			trans	-97	110.2	-172.8	-69.3	0	0	0	0	111.5	Q30	Q30-S33 PolarHBondContact O-N 3.1Å; Q30-S33 PolarHBondContact OE1-OG 3.21Å
34	C	61.7	Low	54.5	Low	28 Å²	28	98.7 Å²	98.7	19%	0.189	53%	0.533	C	S	.	.			trans	-58.2	126.5	178.8	-147.6	0	0	0	0	110.8	V36 C49	C34-V36 VanDerWaalsContact C-N 3.3Å; C34-V36 PolarHBondContact O-N 3.31Å; C34-C49 HydrophobicContact CB-CB 4.32Å; C34-C49 WeakPolarHBondContact CB-SG 3.35Å; C34-C49 WeakPolarHBondContact SG-CB 3.49Å; C34-C49 CovalentContact SG-SG 2.03Å; C34-C49 PolarHBondContact SG-SG 2.88Å
35	P	60.5	Low	56.6	Low	77 Å²	77	94.9 Å²	94.9	50%	0.5	53%	0.525	S	S	.	.	S	Bend	trans	-74.7	-18	-173.7	29.9	-36.8	0	0	0	113.9	W43	P35-W43 HydrophobicContact CG-CB 3.74Å
36	V	61.4	Low	58.7	Low	72 Å²	72	93.3 Å²	93.3	44%	0.436	51%	0.506	S	S	.	.	S	Bend	trans	-130.4	136.4	-179	-176.1	0	0	0	0	109.2	C34 S51	C34-V36 VanDerWaalsContact C-N 3.3Å; C34-V36 PolarHBondContact O-N 3.31Å; V36-S51 PolarHBondContact O-OG 3.49Å; V36-S51 VanDerWaalsContact O-OG 3.05Å
37	R	60.3	Low	61.6	Low	208 Å²	208	90.9 Å²	90.9	79%	0.785	48%	0.48	S	S	*	.	S	Bend	trans	-98.3	139.9	169.9	-73.9	-172.5	178.1	169.9	-0.8	111.2	S51	R37-S51 WeakPolarHBondContact CA-OG 3.48Å
38	G	61.4	Low	64.3	Low	52 Å²	52	85.8 Å²	85.8	54%	0.536	45%	0.448	S	S	.	.	S	Bend	trans	94.5	6.7	170.7	0	0	0	0	0	116.7	S51	G38-S51 PolarHBondContact N-OG 3.3Å
39	N	71.2	Confident	67.2	Low	105 Å²	105	76.8 Å²	76.8	56%	0.561	41%	0.406	S	S	*	.	S	Bend	trans	-155.2	173	168.5	-158	1.2	0	0	0	111.2
40	C	80.6	Confident	69.7	Low	29 Å²	29	71.4 Å²	71.4	20%	0.196	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.2	161.8	-65.1	0	0	0	0	110.7	I48 C49 C50 P57	C40-I48 HydrophobicContact CB-CG2 4.2Å; C40-C49 CarbonylContact C-O 2.97Å; C40-C49 VanDerWaalsContact CA-O 3.29Å; C40-C49 WeakPolarHBondContact CA-O 3.43Å; C40-C50 HydrophobicContact CB-CB 4.11Å; C40-C50 WeakPolarHBondContact CB-SG 3.37Å; C40-C50 WeakPolarHBondContact SG-CB 3.48Å; C40-C50 CovalentContact SG-SG 2.03Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C40-P57 VanDerWaalsContact SG-CG 3.58Å
41	S	81.3	Confident	72.2	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.203	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.9	176.8	59.3	0	0	0	0	111.1	W43 C49	S41-W43 PolarHBondContact O-N 2.84Å; S41-C49 PolarHBondContact N-O 3.3Å; S41-C49 PolarHBondContact O-N 2.98Å
42	E	80.4	Confident	74.1	Confident	123 Å²	123	64.4 Å²	64.4	58%	0.575	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.2	163.3	-171.4	169.3	-169.1	0	0	108.9	R44 A45 H46 A47	E42-R44 WeakPolarHBondContact CG-O 3.41Å; E42-A45 WeakPolarHBondContact OE1-CA 3.37Å; E42-H46 PolarHBondContact OE1-N 3.14Å; E42-A47 WeakPolarHBondContact CA-O 3.24Å
43	W	71.7	Confident	75.8	Confident	51 Å²	51	59.2 Å²	59.2	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-19.2	-173.3	75.8	-79.2	0	0	0	113.6	P35 S41 A47 C49 L67	P35-W43 HydrophobicContact CG-CB 3.74Å; S41-W43 PolarHBondContact O-N 2.84Å; W43-A47 PolarHBondContact N-O 3.43Å; W43-C49 HydrophobicContact CG-CB 4.24Å; W43-L67 HydrophobicContact CZ2-CD2 4.43Å
44	R	73.8	Confident	77.2	Confident	144 Å²	144	61.2 Å²	61.2	54%	0.543	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.6	161.2	-64.2	176.7	173.9	170.5	-1	106.5	E42 H46 A47	E42-R44 WeakPolarHBondContact CG-O 3.41Å; R44-H46 PolarHBondContact O-N 3.44Å; R44-A47 HydrophobicContact CB-CB 4.02Å; R44-A47 PolarHBondContact O-N 3.01Å
45	A	76.8	Confident	78.4	Confident	81 Å²	81	66.5 Å²	66.5	67%	0.669	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	126.9	175.7	0	0	0	0	0	110.8	E42 A47	E42-A45 WeakPolarHBondContact OE1-CA 3.37Å; A45-A47 PolarHBondContact O-N 3.33Å; A45-A47 VanDerWaalsContact O-N 3.16Å
46	H	82	Confident	79.6	Confident	81 Å²	81	64.2 Å²	64.2	38%	0.375	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	10.6	-177.7	-52.2	-71.4	0	0	0	115.9	E42 R44 S62 E64 T65	E42-H46 PolarHBondContact OE1-N 3.14Å; R44-H46 PolarHBondContact O-N 3.44Å; H46-S62 WeakPolarHBondContact CB-O 3.45Å; H46-S62 PolarHBondContact ND1-O 3.44Å; H46-E64 HydrophobicContact CB-CB 3.95Å; H46-E64 HydrophobicContact CB-CG 3.85Å; H46-E64 PolarHBondContact O-N 3.49Å; H46-T65 PolarHBondContact O-N 3.36Å
47	A	87.6	Confident	80.8	Confident	8 Å²	8	63.5 Å²	63.5	7%	0.066	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.2	178.6	0	0	0	0	0	111.6	E42 W43 R44 A45 T65	E42-A47 WeakPolarHBondContact CA-O 3.24Å; W43-A47 PolarHBondContact N-O 3.43Å; R44-A47 HydrophobicContact CB-CB 4.02Å; R44-A47 PolarHBondContact O-N 3.01Å; A45-A47 PolarHBondContact O-N 3.33Å; A45-A47 VanDerWaalsContact O-N 3.16Å; A47-T65 CarbonylContact C-O 3.28Å; A47-T65 WeakPolarHBondContact CA-O 3.37Å; A47-T65 HydrophobicContact CB-CG2 4.42Å
48	I	88.9	Confident	81.9	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.077	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.4	179.4	-63.3	179.3	0	0	0	109.7	C40 F59 P60 T63 T65 L66 L67	C40-I48 HydrophobicContact CB-CG2 4.2Å; I48-F59 HydrophobicContact CD1-CD1 4.26Å; I48-F59 HydrophobicContact CG2-CD1 4.36Å; I48-F59 HydrophobicContact CG2-CE1 4.37Å; I48-P60 HydrophobicContact CD1-CG 4.21Å; I48-T63 HydrophobicContact CB-CG2 4.3Å; I48-T63 HydrophobicContact CD1-CG2 3.95Å; I48-T63 WeakPolarHBondContact CD1-OG1 3.43Å; I48-T63 HydrophobicContact CG1-CG2 4.04Å; I48-T65 PolarHBondContact N-O 3.49Å; I48-L66 HydrophobicContact CB-CD1 4.19Å; I48-L66 HydrophobicContact CG2-CD1 4.11Å; I48-L67 PolarHBondContact O-N 3.24Å
49	C	87.9	Confident	83.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.8	167.2	-173.8	0	0	0	0	110.7	C34 C40 S41 W43 L67	C34-C49 HydrophobicContact CB-CB 4.32Å; C34-C49 WeakPolarHBondContact CB-SG 3.35Å; C34-C49 WeakPolarHBondContact SG-CB 3.49Å; C34-C49 CovalentContact SG-SG 2.03Å; C34-C49 PolarHBondContact SG-SG 2.88Å; C40-C49 CarbonylContact C-O 2.97Å; C40-C49 VanDerWaalsContact CA-O 3.29Å; C40-C49 WeakPolarHBondContact CA-O 3.43Å; S41-C49 PolarHBondContact N-O 3.3Å; S41-C49 PolarHBondContact O-N 2.98Å; W43-C49 HydrophobicContact CG-CB 4.24Å; C49-L67 CarbonylContact C-O 3.59Å; C49-L67 VanDerWaalsContact CA-O 3.3Å; C49-L67 WeakPolarHBondContact CA-O 3.34Å; C49-L67 HydrophobicContact CB-CB 4.14Å; C49-L67 HydrophobicContact CB-CD2 4.08Å; C49-L67 HydrophobicContact CB-CG 4.34Å
50	C	87.9	Confident	83.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.6	174.6	-58.4	0	0	0	0	110.5	C40 I53 L67 L68 S69	C40-C50 HydrophobicContact CB-CB 4.11Å; C40-C50 WeakPolarHBondContact CB-SG 3.37Å; C40-C50 WeakPolarHBondContact SG-CB 3.48Å; C40-C50 CovalentContact SG-SG 2.03Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C50-I53 HydrophobicContact CB-CD1 3.87Å; C50-I53 HydrophobicContact CB-CG1 4.42Å; C50-L67 PolarHBondContact N-O 2.7Å; C50-L68 HydrophobicContact CB-CD2 3.76Å; C50-S69 PolarHBondContact O-N 2.75Å
51	S	88.4	Confident	84.2	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.042	32%	0.323	C	S	.	.			trans	-141.7	158.6	173.2	60.5	0	0	0	0	111.5	V36 R37 G38 I53 S69	V36-S51 PolarHBondContact O-OG 3.49Å; V36-S51 VanDerWaalsContact O-OG 3.05Å; R37-S51 WeakPolarHBondContact CA-OG 3.48Å; G38-S51 PolarHBondContact N-OG 3.3Å; S51-I53 PolarHBondContact O-N 2.95Å; S51-S69 WeakPolarHBondContact CA-O 3.45Å; S51-S69 WeakPolarHBondContact CB-O 3.49Å
52	D	85.4	Confident	84.4	Confident	58 Å²	58	64.1 Å²	64.1	31%	0.31	33%	0.333	S	S	.	.	S	Bend	trans	61.4	4.9	177.8	-99.8	-66.3	0	0	0	116	D70 K72	D52-D70 PolarHBondContact N-O 3.08Å; D52-K72 WeakPolarHBondContact O-CD 3.18Å; D52-K72 WeakPolarHBondContact O-CE 3.34Å; D52-K72 PolarHBondContact O-NZ 3.15Å; D52-K72 WeakPolarHBondContact OD1-CE 3.44Å; D52-K72 IonicContact OD1-NZ 2.61Å; D52-K72 PolarHBondContact OD1-NZ 2.85Å
53	I	86.9	Confident	84.9	Confident	20 Å²	20	58.3 Å²	58.3	10%	0.103	31%	0.306	C	S	.	.			trans	-75.1	139.8	-177.2	60.8	168.8	0	0	0	113.8	C50 S51 L56 T71 K72	C50-I53 HydrophobicContact CB-CD1 3.87Å; C50-I53 HydrophobicContact CB-CG1 4.42Å; S51-I53 PolarHBondContact O-N 2.95Å; I53-L56 HydrophobicContact CD1-CD2 4.02Å; I53-T71 HydrophobicContact CG1-CG2 4.06Å; I53-K72 WeakPolarHBondContact O-CA 3.37Å; I53-K72 WeakPolarHBondContact O-CB 3.4Å; I53-K72 PolarHBondContact O-N 2.96Å
54	D	85	Confident	85.8	Confident	98 Å²	98	60.2 Å²	60.2	52%	0.524	32%	0.317	S	S	.	.	S	Bend	trans	-94.8	-16.5	173.3	-65.4	-80.9	0	0	0	113.6	K72 K97	D54-K72 HydrophobicContact CB-CB 4.43Å; D54-K72 WeakPolarHBondContact OD1-CB 3.44Å; D54-K72 VanDerWaalsContact OD1-CD 3.23Å; D54-K72 WeakPolarHBondContact OD1-CD 3.47Å; D54-K97 IonicContact OD1-NZ 2.68Å
55	I	86.3	Confident	86.7	Confident	140 Å²	140	55.1 Å²	55.1	72%	0.718	30%	0.302	S	S	*	.	S	Bend	trans	-141.4	141.1	179.5	-57.4	178	0	0	0	109.1
56	L	86.7	Confident	87.4	Confident	28 Å²	28	51.3 Å²	51.3	15%	0.147	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-71.7	124	174	-73	172	0	0	0	111.3	I53 F59 L68 L73 I76 F81	I53-L56 HydrophobicContact CD1-CD2 4.02Å; L56-F59 HydrophobicContact CD2-CE2 4.29Å; L56-F59 HydrophobicContact CD2-CZ 4.07Å; L56-L68 HydrophobicContact CD2-CD1 3.81Å; L56-L68 HydrophobicContact CD2-CD2 4.11Å; L56-L73 HydrophobicContact CD1-CD1 4.37Å; L56-L73 HydrophobicContact CD2-CD1 3.74Å; L56-L73 HydrophobicContact CG-CD1 3.82Å; L56-L73 HydrophobicContact CG-CD2 4.05Å; L56-I76 HydrophobicContact CD1-CG2 4.31Å; L56-F81 HydrophobicContact CD1-CE1 4.47Å; L56-F81 HydrophobicContact CD1-CZ 4.49Å
57	P	85.4	Confident	87.9	Confident	58 Å²	58	47.8 Å²	47.8	38%	0.377	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-77.2	169.6	174	33	-35.1	0	0	0	111.8	C40 F59	C40-P57 VanDerWaalsContact SG-CG 3.58Å; P57-F59 HydrophobicContact CG-CD1 4.48Å; P57-F59 HydrophobicContact CG-CE1 3.86Å; P57-F59 HydrophobicContact CG-CZ 4.05Å; P57-F59 WeakPolarHBondContact O-CD2 3.17Å; P57-F59 WeakPolarHBondContact O-CE2 3.24Å; P57-F59 PolarHBondContact O-N 3.34Å
58	R	84.9	Confident	88	Confident	241 Å²	241	47.6 Å²	47.6	91%	0.909	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-76.5	117.3	169.3	-69	-176.2	178.9	-179.3	0	109.9
59	F	87.1	Confident	88	Confident	10 Å²	10	47.9 Å²	47.9	4%	0.044	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-84.7	143.7	-179.9	-57.7	-72.8	0	0	0	112.1	I48 L56 P57 L66 F81 S83 V84	I48-F59 HydrophobicContact CD1-CD1 4.26Å; I48-F59 HydrophobicContact CG2-CD1 4.36Å; I48-F59 HydrophobicContact CG2-CE1 4.37Å; L56-F59 HydrophobicContact CD2-CE2 4.29Å; L56-F59 HydrophobicContact CD2-CZ 4.07Å; P57-F59 HydrophobicContact CG-CD1 4.48Å; P57-F59 HydrophobicContact CG-CE1 3.86Å; P57-F59 HydrophobicContact CG-CZ 4.05Å; P57-F59 WeakPolarHBondContact O-CD2 3.17Å; P57-F59 WeakPolarHBondContact O-CE2 3.24Å; P57-F59 PolarHBondContact O-N 3.34Å; F59-L66 HydrophobicContact CD1-CD1 3.95Å; F59-L66 HydrophobicContact CD2-CD2 4.2Å; F59-L66 HydrophobicContact CE1-CD1 3.5Å; F59-L66 VanDerWaalsContact CE1-CD1 3.5Å; F59-L66 HydrophobicContact CE1-CD2 4.3Å; F59-L66 HydrophobicContact CE2-CD1 4.44Å; F59-L66 HydrophobicContact CE2-CD2 3.74Å; F59-L66 HydrophobicContact CZ-CD1 3.78Å; F59-L66 HydrophobicContact CZ-CD2 3.8Å; F59-L66 HydrophobicContact CZ-CG 4.45Å; F59-F81 HydrophobicContact CE2-CD1 4.48Å; F59-F81 HydrophobicContact CE2-CE1 4.38Å; F59-S83 PolarHBondContact O-OG 3.25Å; F59-V84 HydrophobicContact CB-CG1 3.41Å; F59-V84 VanDerWaalsContact CB-CG1 3.41Å; F59-V84 HydrophobicContact CG-CG1 4.41Å
60	P	86.3	Confident	88	Confident	69 Å²	69	50.3 Å²	50.3	45%	0.448	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-56.9	140	173.7	-24.1	33.6	0	0	0	112.8	I48 S62 T63	I48-P60 HydrophobicContact CD1-CG 4.21Å; P60-S62 PolarHBondContact O-N 2.91Å; P60-T63 WeakPolarHBondContact O-CB 3.41Å; P60-T63 PolarHBondContact O-N 3.37Å; P60-T63 PolarHBondContact O-OG1 3.03Å
61	A	86.6	Confident	88.1	Confident	55 Å²	55	50.5 Å²	50.5	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19	-179.8	0	0	0	0	0	114.2	T63 S83 V85	A61-T63 VanDerWaalsContact C-N 3.3Å; A61-S83 WeakPolarHBondContact CA-O 3.35Å; A61-V85 HydrophobicContact CB-CG2 4.38Å
62	S	87.1	Confident	88.1	Confident	60 Å²	60	53.3 Å²	53.3	42%	0.42	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	4.4	173.7	53.8	0	0	0	0	114.5	H46 P60 E64	H46-S62 WeakPolarHBondContact CB-O 3.45Å; H46-S62 PolarHBondContact ND1-O 3.44Å; P60-S62 PolarHBondContact O-N 2.91Å; S62-E64 PolarHBondContact O-N 3.48Å
63	T	89.4	Confident	88.4	Confident	2 Å²	2	51 Å²	51	1%	0.012	27%	0.269	C	S	.	.			trans	-74	122.7	177.4	-48.8	0	0	0	0	110.3	I48 P60 A61 T65 N86 I87	I48-T63 HydrophobicContact CB-CG2 4.3Å; I48-T63 HydrophobicContact CD1-CG2 3.95Å; I48-T63 WeakPolarHBondContact CD1-OG1 3.43Å; I48-T63 HydrophobicContact CG1-CG2 4.04Å; P60-T63 WeakPolarHBondContact O-CB 3.41Å; P60-T63 PolarHBondContact O-N 3.37Å; P60-T63 PolarHBondContact O-OG1 3.03Å; A61-T63 VanDerWaalsContact C-N 3.3Å; T63-T65 WeakPolarHBondContact CG2-O 3.44Å; T63-N86 CarbonylContact O-C 3.41Å; T63-I87 WeakPolarHBondContact O-CA 3.38Å; T63-I87 PolarHBondContact O-N 3.09Å
64	E	91.4	Very high	88.6	Confident	90 Å²	90	53.7 Å²	53.7	42%	0.421	29%	0.29	S	S	.	.			trans	-99.4	-39.1	174.1	-69	-173.7	173.6	0	0	111.8	H46 S62 N86 I87 S88 G89	H46-E64 HydrophobicContact CB-CB 3.95Å; H46-E64 HydrophobicContact CB-CG 3.85Å; H46-E64 PolarHBondContact O-N 3.49Å; S62-E64 PolarHBondContact O-N 3.48Å; E64-N86 HydrophobicContact CG-CB 4.45Å; E64-I87 WeakPolarHBondContact O-CG1 3.39Å; E64-S88 PolarHBondContact O-N 3.13Å; E64-S88 PolarHBondContact O-OG 2.99Å; E64-G89 PolarHBondContact O-N 3.35Å; E64-G89 VanDerWaalsContact O-N 3.11Å
65	T	92.4	Very high	89	Confident	37 Å²	37	50.1 Å²	50.1	23%	0.227	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.7	177.7	-66.5	0	0	0	0	111.4	H46 A47 I48 T63 G89 Y91	H46-T65 PolarHBondContact O-N 3.36Å; A47-T65 CarbonylContact C-O 3.28Å; A47-T65 WeakPolarHBondContact CA-O 3.37Å; A47-T65 HydrophobicContact CB-CG2 4.42Å; I48-T65 PolarHBondContact N-O 3.49Å; T63-T65 WeakPolarHBondContact CG2-O 3.44Å; T65-G89 WeakPolarHBondContact CA-O 3.42Å; T65-Y91 HydrophobicContact CG2-CD2 4.03Å; T65-Y91 HydrophobicContact CG2-CE2 3.94Å
66	L	92.4	Very high	89.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	172	-177.5	62.3	0	0	0	111	I48 F59 L68 F81 I87 G89 I90 Y91	I48-L66 HydrophobicContact CB-CD1 4.19Å; I48-L66 HydrophobicContact CG2-CD1 4.11Å; F59-L66 HydrophobicContact CD1-CD1 3.95Å; F59-L66 HydrophobicContact CD2-CD2 4.2Å; F59-L66 HydrophobicContact CE1-CD1 3.5Å; F59-L66 VanDerWaalsContact CE1-CD1 3.5Å; F59-L66 HydrophobicContact CE1-CD2 4.3Å; F59-L66 HydrophobicContact CE2-CD1 4.44Å; F59-L66 HydrophobicContact CE2-CD2 3.74Å; F59-L66 HydrophobicContact CZ-CD1 3.78Å; F59-L66 HydrophobicContact CZ-CD2 3.8Å; F59-L66 HydrophobicContact CZ-CG 4.45Å; L66-L68 HydrophobicContact CD1-CD2 3.97Å; L66-L68 HydrophobicContact CD2-CD1 4.46Å; L66-L68 HydrophobicContact CD2-CD2 4.23Å; L66-L68 HydrophobicContact CD2-CG 4.35Å; L66-L68 HydrophobicContact CG-CD2 4.04Å; L66-L68 HydrophobicContact CG-CG 4.18Å; L66-F81 HydrophobicContact CD2-CD1 3.86Å; L66-F81 HydrophobicContact CD2-CE1 3.49Å; L66-F81 VanDerWaalsContact CD2-CE1 3.49Å; L66-F81 HydrophobicContact CD2-CZ 4.48Å; L66-I87 HydrophobicContact CB-CD1 3.82Å; L66-G89 PolarHBondContact N-O 3.48Å; L66-I90 HydrophobicContact CB-CG1 4.49Å; L66-I90 WeakPolarHBondContact O-CA 3.4Å; L66-Y91 PolarHBondContact O-N 2.83Å
67	L	91.2	Very high	89.7	Confident	8 Å²	8	45 Å²	45	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.7	-179.8	-180	63	0	0	0	109.4	W43 I48 C49 C50 Y93	W43-L67 HydrophobicContact CZ2-CD2 4.43Å; I48-L67 PolarHBondContact O-N 3.24Å; C49-L67 CarbonylContact C-O 3.59Å; C49-L67 VanDerWaalsContact CA-O 3.3Å; C49-L67 WeakPolarHBondContact CA-O 3.34Å; C49-L67 HydrophobicContact CB-CB 4.14Å; C49-L67 HydrophobicContact CB-CD2 4.08Å; C49-L67 HydrophobicContact CB-CG 4.34Å; C50-L67 PolarHBondContact N-O 2.7Å; L67-Y93 HydrophobicContact CD1-CD2 3.42Å; L67-Y93 VanDerWaalsContact CD1-CD2 3.42Å; L67-Y93 HydrophobicContact CD1-CE2 3.45Å; L67-Y93 VanDerWaalsContact CD1-CE2 3.45Å
68	L	90.6	Very high	90	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.6	176.8	-57.2	-177.4	0	0	0	108.3	C50 L56 L66 T71 Y91 I92 Y93	C50-L68 HydrophobicContact CB-CD2 3.76Å; L56-L68 HydrophobicContact CD2-CD1 3.81Å; L56-L68 HydrophobicContact CD2-CD2 4.11Å; L66-L68 HydrophobicContact CD1-CD2 3.97Å; L66-L68 HydrophobicContact CD2-CD1 4.46Å; L66-L68 HydrophobicContact CD2-CD2 4.23Å; L66-L68 HydrophobicContact CD2-CG 4.35Å; L66-L68 HydrophobicContact CG-CD2 4.04Å; L66-L68 HydrophobicContact CG-CG 4.18Å; L68-T71 HydrophobicContact CB-CG2 4.11Å; L68-Y91 PolarHBondContact N-O 3.25Å; L68-I92 HydrophobicContact CB-CG1 4.14Å; L68-I92 HydrophobicContact CD1-CG1 4.07Å; L68-I92 HydrophobicContact CG-CG1 4.45Å; L68-I92 CarbonylContact O-C 3.13Å; L68-I92 WeakPolarHBondContact O-CA 3.26Å; L68-Y93 PolarHBondContact O-N 3.45Å
69	S	89.7	Confident	90.1	Very high	22 Å²	22	36.9 Å²	36.9	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125	-171.6	-167.2	0	0	0	0	111.9	C50 S51 Y93	C50-S69 PolarHBondContact O-N 2.75Å; S51-S69 WeakPolarHBondContact CA-O 3.45Å; S51-S69 WeakPolarHBondContact CB-O 3.49Å; S69-Y93 WeakPolarHBondContact CA-O 3.49Å
70	D	87.6	Confident	90.1	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.273	23%	0.234	S	C	.	.	S	Bend	trans	50.1	56.8	-176.5	-154.1	-3.7	0	0	0	113	D52 Y93 K96	D52-D70 PolarHBondContact N-O 3.08Å; D70-Y93 PolarHBondContact N-O 2.9Å; D70-Y93 VanDerWaalsContact N-O 3.11Å; D70-K96 IonicContact OD1-NZ 2.79Å; D70-K96 PolarHBondContact OD1-NZ 2.84Å; D70-K96 IonicContact OD2-NZ 3.86Å; D70-K96 PolarHBondContact OD2-NZ 3.4Å
71	T	89.3	Confident	90.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	21%	0.213	C	C	.	.			trans	-91.3	178.2	177.6	98.8	0	0	0	0	111.7	I53 L68 L73 D95	I53-T71 HydrophobicContact CG1-CG2 4.06Å; L68-T71 HydrophobicContact CB-CG2 4.11Å; T71-L73 WeakPolarHBondContact OG1-CD1 3.34Å; T71-L73 VanDerWaalsContact OG1-CG 3.29Å; T71-L73 WeakPolarHBondContact OG1-CG 3.43Å; T71-L73 PolarHBondContact OG1-N 3.35Å; T71-D95 WeakPolarHBondContact CA-OD2 3.31Å; T71-D95 VanDerWaalsContact CB-OD2 3.3Å; T71-D95 WeakPolarHBondContact CB-OD2 3.38Å; T71-D95 PolarHBondContact N-OD2 2.95Å; T71-D95 PolarHBondContact OG1-OD2 3.46Å
72	K	89.4	Confident	90.3	Very high	66 Å²	66	34.9 Å²	34.9	29%	0.287	22%	0.217	S	C	.	.			trans	-115.6	10.4	178.7	-63.9	169.4	-168.4	134.4	0	112.6	D52 I53 D54 S74 K97	D52-K72 WeakPolarHBondContact O-CD 3.18Å; D52-K72 WeakPolarHBondContact O-CE 3.34Å; D52-K72 PolarHBondContact O-NZ 3.15Å; D52-K72 WeakPolarHBondContact OD1-CE 3.44Å; D52-K72 IonicContact OD1-NZ 2.61Å; D52-K72 PolarHBondContact OD1-NZ 2.85Å; I53-K72 WeakPolarHBondContact O-CA 3.37Å; I53-K72 WeakPolarHBondContact O-CB 3.4Å; I53-K72 PolarHBondContact O-N 2.96Å; D54-K72 HydrophobicContact CB-CB 4.43Å; D54-K72 WeakPolarHBondContact OD1-CB 3.44Å; D54-K72 VanDerWaalsContact OD1-CD 3.23Å; D54-K72 WeakPolarHBondContact OD1-CD 3.47Å; K72-S74 PolarHBondContact O-N 3.02Å; K72-K97 HydrophobicContact CB-CD 3.97Å; K72-K97 HydrophobicContact CG-CD 4.47Å; K72-K97 WeakPolarHBondContact O-CD 3.42Å
73	L	90.1	Very high	90.2	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	21%	0.214	C	C	.	.			trans	-58.7	132.5	178.3	-65.1	168.1	0	0	0	110.7	L56 T71 K97 L98	L56-L73 HydrophobicContact CD1-CD1 4.37Å; L56-L73 HydrophobicContact CD2-CD1 3.74Å; L56-L73 HydrophobicContact CG-CD1 3.82Å; L56-L73 HydrophobicContact CG-CD2 4.05Å; T71-L73 WeakPolarHBondContact OG1-CD1 3.34Å; T71-L73 VanDerWaalsContact OG1-CG 3.29Å; T71-L73 WeakPolarHBondContact OG1-CG 3.43Å; T71-L73 PolarHBondContact OG1-N 3.35Å; L73-K97 CarbonylContact O-C 3.58Å; L73-L98 WeakPolarHBondContact O-CA 3.48Å; L73-L98 PolarHBondContact O-N 3.14Å
74	S	91.9	Very high	90.2	Very high	77 Å²	77	34.4 Å²	34.4	54%	0.538	21%	0.214	S	C	.	.	S	Bend	trans	-83.2	-30.5	170.9	54	0	0	0	0	112.3	K72 Q99	K72-S74 PolarHBondContact O-N 3.02Å; S74-Q99 PolarHBondContact O-N 2.96Å
75	S	94.3	Very high	90	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	164.8	175.6	65.5	0	0	0	0	111.7	P77 R100 E102	S75-P77 WeakPolarHBondContact O-CD 3.38Å; S75-R100 VanDerWaalsContact CA-O 3.24Å; S75-R100 WeakPolarHBondContact CA-O 3.2Å; S75-R100 WeakPolarHBondContact CB-O 3.4Å; S75-E102 WeakPolarHBondContact CB-OE1 3.19Å; S75-E102 PolarHBondContact OG-OE1 3.47Å
76	I	94.5	Very high	89.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.5	163	-64.9	-176.6	0	0	0	108.1	L56 F81 I92 L98 R100 L101 E102 S105	L56-I76 HydrophobicContact CD1-CG2 4.31Å; I76-F81 HydrophobicContact CG2-CE2 4.01Å; I76-F81 HydrophobicContact CG2-CZ 4.11Å; I76-I92 HydrophobicContact CD1-CD1 3.46Å; I76-I92 VanDerWaalsContact CD1-CD1 3.46Å; I76-I92 HydrophobicContact CD1-CG1 4.42Å; I76-L98 HydrophobicContact CD1-CD2 4.4Å; I76-L98 HydrophobicContact CG1-CD1 4.06Å; I76-R100 PolarHBondContact N-O 3.36Å; I76-L101 HydrophobicContact CB-CD2 3.98Å; I76-L101 HydrophobicContact CD1-CD2 3.78Å; I76-L101 HydrophobicContact CG1-CD2 4.04Å; I76-E102 WeakPolarHBondContact O-CB 3.39Å; I76-E102 WeakPolarHBondContact O-CG 3.23Å; I76-E102 PolarHBondContact O-N 2.84Å; I76-S105 PolarHBondContact O-OG 3.39Å
77	P	92.3	Very high	89.9	Confident	61 Å²	61	35.8 Å²	35.8	40%	0.396	23%	0.226	S	C	.	.			trans	-62.8	160.6	-178.8	-25.4	35.5	0	0	0	114.9	S75 S80	S75-P77 WeakPolarHBondContact O-CD 3.38Å; P77-S80 WeakPolarHBondContact CD-OG 3.48Å; P77-S80 WeakPolarHBondContact O-CB 3.32Å; P77-S80 PolarHBondContact O-N 3.45Å; P77-S80 PolarHBondContact O-OG 3.22Å
78	A	91.2	Very high	90	Very high	50 Å²	50	37.1 Å²	37.1	41%	0.413	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137	171.7	0	0	0	0	0	112.3	S80 R103	A78-S80 PolarHBondContact O-N 3.45Å; A78-R103 WeakPolarHBondContact CA-O 3.48Å; A78-R103 WeakPolarHBondContact CB-O 3.46Å
79	N	88.7	Confident	90.3	Very high	78 Å²	78	37 Å²	37	42%	0.417	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	19.8	177.1	-53	-65.1	0	0	0	115.3	F81 A82 H104	N79-F81 PolarHBondContact O-N 3.38Å; N79-A82 HydrophobicContact CB-CB 4.11Å; N79-A82 VanDerWaalsContact O-CB 3.27Å; N79-A82 WeakPolarHBondContact O-CB 3.24Å; N79-A82 PolarHBondContact O-N 2.85Å; N79-H104 PolarHBondContact N-O 3.05Å
80	S	86.8	Confident	90.5	Very high	25 Å²	25	36 Å²	36	18%	0.175	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.6	-177.4	-70.4	0	0	0	0	114.4	P77 A78	P77-S80 WeakPolarHBondContact CD-OG 3.48Å; P77-S80 WeakPolarHBondContact O-CB 3.32Å; P77-S80 PolarHBondContact O-N 3.45Å; P77-S80 PolarHBondContact O-OG 3.22Å; A78-S80 PolarHBondContact O-N 3.45Å
81	F	90.7	Very high	90.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13.9	-177.7	-48.8	-58	0	0	0	113.5	L56 F59 L66 I76 N79 S83 V84 I90 S105 F106 L109	L56-F81 HydrophobicContact CD1-CE1 4.47Å; L56-F81 HydrophobicContact CD1-CZ 4.49Å; F59-F81 HydrophobicContact CE2-CD1 4.48Å; F59-F81 HydrophobicContact CE2-CE1 4.38Å; L66-F81 HydrophobicContact CD2-CD1 3.86Å; L66-F81 HydrophobicContact CD2-CE1 3.49Å; L66-F81 VanDerWaalsContact CD2-CE1 3.49Å; L66-F81 HydrophobicContact CD2-CZ 4.48Å; I76-F81 HydrophobicContact CG2-CE2 4.01Å; I76-F81 HydrophobicContact CG2-CZ 4.11Å; N79-F81 PolarHBondContact O-N 3.38Å; F81-S83 PolarHBondContact O-N 3.42Å; F81-V84 HydrophobicContact CB-CG2 3.84Å; F81-V84 WeakPolarHBondContact O-CG2 3.42Å; F81-V84 PolarHBondContact O-N 3.22Å; F81-I90 HydrophobicContact CB-CD1 4.43Å; F81-I90 HydrophobicContact CD1-CD1 4.41Å; F81-I90 HydrophobicContact CD2-CD1 3.81Å; F81-I90 HydrophobicContact CE2-CD1 4.19Å; F81-I90 HydrophobicContact CG-CD1 3.94Å; F81-I90 HydrophobicContact CZ-CG2 4.46Å; F81-S105 VanDerWaalsContact CD2-O 3.26Å; F81-S105 WeakPolarHBondContact CD2-O 3.43Å; F81-F106 AromaticContact CD2-CD1 3.89Å; F81-F106 HydrophobicContact CD2-CD1 3.89Å; F81-F106 AromaticContact CD2-CE1 3.98Å; F81-F106 HydrophobicContact CD2-CE1 3.98Å; F81-F106 AromaticContact CE2-CD1 3.88Å; F81-F106 HydrophobicContact CE2-CD1 3.88Å; F81-F106 AromaticContact CE2-CE1 3.53Å; F81-F106 HydrophobicContact CE2-CE1 3.53Å; F81-F106 AromaticContact CE2-CZ 3.93Å; F81-F106 HydrophobicContact CE2-CZ 3.93Å; F81-F106 HydrophobicContact CZ-CE1 4.43Å; F81-L109 HydrophobicContact CB-CD1 4.19Å; F81-L109 HydrophobicContact CB-CD2 4.04Å; F81-L109 WeakPolarHBondContact O-CD2 3.41Å
82	A	86.4	Confident	91.1	Very high	65 Å²	65	36.1 Å²	36.1	54%	0.537	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.9	-176.6	0	0	0	0	0	114.8	N79	N79-A82 HydrophobicContact CB-CB 4.11Å; N79-A82 VanDerWaalsContact O-CB 3.27Å; N79-A82 WeakPolarHBondContact O-CB 3.24Å; N79-A82 PolarHBondContact O-N 2.85Å
83	S	84.4	Confident	91.2	Very high	49 Å²	49	33.6 Å²	33.6	34%	0.343	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.9	176.4	67.6	0	0	0	0	114.4	F59 A61 F81 V85	F59-S83 PolarHBondContact O-OG 3.25Å; A61-S83 WeakPolarHBondContact CA-O 3.35Å; F81-S83 PolarHBondContact O-N 3.42Å; S83-V85 PolarHBondContact O-N 3.11Å
84	V	89.3	Confident	90.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	23%	0.231	C	C	.	.			trans	-99.9	68.8	-171.5	-71.3	0	0	0	0	111.7	F59 F81 N86 I87	F59-V84 HydrophobicContact CB-CG1 3.41Å; F59-V84 VanDerWaalsContact CB-CG1 3.41Å; F59-V84 HydrophobicContact CG-CG1 4.41Å; F81-V84 HydrophobicContact CB-CG2 3.84Å; F81-V84 WeakPolarHBondContact O-CG2 3.42Å; F81-V84 PolarHBondContact O-N 3.22Å; V84-N86 PolarHBondContact O-N 2.92Å; V84-N86 VanDerWaalsContact O-N 3.08Å; V84-I87 HydrophobicContact CB-CB 4.04Å; V84-I87 HydrophobicContact CB-CD1 4.31Å; V84-I87 HydrophobicContact CB-CG2 4.44Å; V84-I87 HydrophobicContact CG2-CB 3.89Å; V84-I87 HydrophobicContact CG2-CD1 3.72Å; V84-I87 HydrophobicContact CG2-CG1 4.43Å; V84-I87 HydrophobicContact CG2-CG2 3.9Å; V84-I87 WeakPolarHBondContact O-CB 3.47Å; V84-I87 VanDerWaalsContact O-CG2 3.27Å; V84-I87 WeakPolarHBondContact O-CG2 3.4Å; V84-I87 PolarHBondContact O-N 2.99Å
85	V	86.6	Confident	90.6	Very high	101 Å²	101	32.8 Å²	32.8	61%	0.612	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.6	-177.1	-60.7	0	0	0	0	114.6	A61 S83	A61-V85 HydrophobicContact CB-CG2 4.38Å; S83-V85 PolarHBondContact O-N 3.11Å
86	N	89.5	Confident	90.2	Very high	54 Å²	54	37.6 Å²	37.6	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.4	177.2	-80.8	-12.4	0	0	0	115	T63 E64 V84 S88 K111	T63-N86 CarbonylContact O-C 3.41Å; E64-N86 HydrophobicContact CG-CB 4.45Å; V84-N86 PolarHBondContact O-N 2.92Å; V84-N86 VanDerWaalsContact O-N 3.08Å; N86-S88 PolarHBondContact O-N 2.89Å; N86-K111 PolarHBondContact OD1-NZ 3.12Å
87	I	93.6	Very high	90.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	25%	0.245	C	C	.	.			trans	-64.7	127.2	-171.2	-159	153.2	0	0	0	112.8	T63 E64 L66 V84 I90 L109 K111 I112	T63-I87 WeakPolarHBondContact O-CA 3.38Å; T63-I87 PolarHBondContact O-N 3.09Å; E64-I87 WeakPolarHBondContact O-CG1 3.39Å; L66-I87 HydrophobicContact CB-CD1 3.82Å; V84-I87 HydrophobicContact CB-CB 4.04Å; V84-I87 HydrophobicContact CB-CD1 4.31Å; V84-I87 HydrophobicContact CB-CG2 4.44Å; V84-I87 HydrophobicContact CG2-CB 3.89Å; V84-I87 HydrophobicContact CG2-CD1 3.72Å; V84-I87 HydrophobicContact CG2-CG1 4.43Å; V84-I87 HydrophobicContact CG2-CG2 3.9Å; V84-I87 WeakPolarHBondContact O-CB 3.47Å; V84-I87 VanDerWaalsContact O-CG2 3.27Å; V84-I87 WeakPolarHBondContact O-CG2 3.4Å; V84-I87 PolarHBondContact O-N 2.99Å; I87-I90 HydrophobicContact CD1-CD1 3.91Å; I87-I90 HydrophobicContact CD1-CG1 3.42Å; I87-I90 VanDerWaalsContact CD1-CG1 3.42Å; I87-I90 HydrophobicContact CG1-CD1 4.45Å; I87-I90 HydrophobicContact CG1-CG1 3.95Å; I87-L109 HydrophobicContact CG2-CB 4.45Å; I87-L109 HydrophobicContact CG2-CD1 4.25Å; I87-L109 HydrophobicContact CG2-CD2 4.23Å; I87-K111 CarbonylContact O-C 3.06Å; I87-I112 HydrophobicContact CG1-CD1 4.26Å; I87-I112 HydrophobicContact CG2-CD1 4.09Å; I87-I112 WeakPolarHBondContact O-CA 3.36Å; I87-I112 PolarHBondContact O-N 3.03Å; I87-I112 VanDerWaalsContact O-N 3.09Å
88	S	93.8	Very high	90.2	Very high	37 Å²	37	39.4 Å²	39.4	26%	0.259	23%	0.226	S	C	.	.			trans	-110.3	-28.4	179.8	65.4	0	0	0	0	112.5	E64 N86 K111 T113 H114	E64-S88 PolarHBondContact O-N 3.13Å; E64-S88 PolarHBondContact O-OG 2.99Å; N86-S88 PolarHBondContact O-N 2.89Å; S88-K111 WeakPolarHBondContact CA-O 3.49Å; S88-T113 PolarHBondContact O-N 3.35Å; S88-T113 PolarHBondContact O-OG1 3.33Å; S88-H114 PolarHBondContact O-N 3.18Å; S88-H114 VanDerWaalsContact O-N 3.11Å
89	G	95.4	Very high	90.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.2	177.6	0	0	0	0	0	114.3	E64 T65 L66 H114	E64-G89 PolarHBondContact O-N 3.35Å; E64-G89 VanDerWaalsContact O-N 3.11Å; T65-G89 WeakPolarHBondContact CA-O 3.42Å; L66-G89 PolarHBondContact N-O 3.48Å; G89-H114 WeakPolarHBondContact CA-O 3.35Å
90	I	95.4	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.9	169.6	-60	163.2	0	0	0	109.6	L66 F81 I87 I92 F106 L109 I112 H114 I115 E116	L66-I90 HydrophobicContact CB-CG1 4.49Å; L66-I90 WeakPolarHBondContact O-CA 3.4Å; F81-I90 HydrophobicContact CB-CD1 4.43Å; F81-I90 HydrophobicContact CD1-CD1 4.41Å; F81-I90 HydrophobicContact CD2-CD1 3.81Å; F81-I90 HydrophobicContact CE2-CD1 4.19Å; F81-I90 HydrophobicContact CG-CD1 3.94Å; F81-I90 HydrophobicContact CZ-CG2 4.46Å; I87-I90 HydrophobicContact CD1-CD1 3.91Å; I87-I90 HydrophobicContact CD1-CG1 3.42Å; I87-I90 VanDerWaalsContact CD1-CG1 3.42Å; I87-I90 HydrophobicContact CG1-CD1 4.45Å; I87-I90 HydrophobicContact CG1-CG1 3.95Å; I90-I92 HydrophobicContact CG2-CD1 4.32Å; I90-I92 HydrophobicContact CG2-CG1 4.45Å; I90-F106 HydrophobicContact CB-CE1 4.2Å; I90-F106 HydrophobicContact CD1-CD1 3.8Å; I90-F106 HydrophobicContact CD1-CE1 3.69Å; I90-F106 HydrophobicContact CG2-CE1 3.9Å; I90-L109 HydrophobicContact CD1-CD1 3.85Å; I90-I112 HydrophobicContact CD1-CD1 3.87Å; I90-I112 HydrophobicContact CG1-CD1 3.84Å; I90-H114 PolarHBondContact N-O 3.44Å; I90-I115 VanDerWaalsContact O-CA 3.31Å; I90-I115 WeakPolarHBondContact O-CA 3.21Å; I90-E116 PolarHBondContact O-N 3.25Å
91	Y	94.5	Very high	91	Very high	55 Å²	55	41.1 Å²	41.1	22%	0.216	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	-176.5	-57.6	-88.4	0	0	0	110.2	T65 L66 L68 Y93 E116	T65-Y91 HydrophobicContact CG2-CD2 4.03Å; T65-Y91 HydrophobicContact CG2-CE2 3.94Å; L66-Y91 PolarHBondContact O-N 2.83Å; L68-Y91 PolarHBondContact N-O 3.25Å; Y91-Y93 HydrophobicContact CD1-CE2 4.45Å; Y91-Y93 WeakPolarHBondContact CD1-OH 3.35Å; Y91-Y93 HydrophobicContact CG-CE2 4.37Å; Y91-E116 CarbonylContact C-O 3.53Å; Y91-E116 WeakPolarHBondContact CA-O 3.43Å; Y91-E116 HydrophobicContact CD1-CB 3.85Å; Y91-E116 HydrophobicContact CE1-CB 4.39Å
92	I	94	Very high	91.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.3	-178.2	-66.2	152.7	0	0	0	108.7	L68 I76 I90 L98 F106 E116 I117 R118 T120	L68-I92 HydrophobicContact CB-CG1 4.14Å; L68-I92 HydrophobicContact CD1-CG1 4.07Å; L68-I92 HydrophobicContact CG-CG1 4.45Å; L68-I92 CarbonylContact O-C 3.13Å; L68-I92 WeakPolarHBondContact O-CA 3.26Å; I76-I92 HydrophobicContact CD1-CD1 3.46Å; I76-I92 VanDerWaalsContact CD1-CD1 3.46Å; I76-I92 HydrophobicContact CD1-CG1 4.42Å; I90-I92 HydrophobicContact CG2-CD1 4.32Å; I90-I92 HydrophobicContact CG2-CG1 4.45Å; I92-L98 HydrophobicContact CG2-CD2 4.05Å; I92-F106 HydrophobicContact CD1-CZ 3.93Å; I92-E116 PolarHBondContact N-O 3.32Å; I92-I117 HydrophobicContact CB-CG1 4.43Å; I92-I117 HydrophobicContact CB-CG2 4.47Å; I92-I117 HydrophobicContact CD1-CD1 4.29Å; I92-I117 HydrophobicContact CD1-CG1 4Å; I92-I117 HydrophobicContact CG2-CG2 4.36Å; I92-R118 PolarHBondContact O-N 3.14Å; I92-T120 HydrophobicContact CG2-CG2 3.88Å
93	Y	91.4	Very high	91.7	Very high	12 Å²	12	47 Å²	47	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.8	-171.4	-65.6	-55.9	0	0	0	114	Y32 L67 L68 S69 D70 Y91 D95 E116 R118	Y32-Y93 AromaticContact CD1-CE2 3.7Å; Y32-Y93 HydrophobicContact CD1-CE2 3.7Å; Y32-Y93 AromaticContact CD1-CZ 3.86Å; Y32-Y93 HydrophobicContact CE1-CE2 4.37Å; Y32-Y93 WeakPolarHBondContact CE1-OH 3.17Å; L67-Y93 HydrophobicContact CD1-CD2 3.42Å; L67-Y93 VanDerWaalsContact CD1-CD2 3.42Å; L67-Y93 HydrophobicContact CD1-CE2 3.45Å; L67-Y93 VanDerWaalsContact CD1-CE2 3.45Å; L68-Y93 PolarHBondContact O-N 3.45Å; S69-Y93 WeakPolarHBondContact CA-O 3.49Å; D70-Y93 PolarHBondContact N-O 2.9Å; D70-Y93 VanDerWaalsContact N-O 3.11Å; Y91-Y93 HydrophobicContact CD1-CE2 4.45Å; Y91-Y93 WeakPolarHBondContact CD1-OH 3.35Å; Y91-Y93 HydrophobicContact CG-CE2 4.37Å; Y93-D95 PolarHBondContact O-N 3.21Å; Y93-E116 HydrophobicContact CE1-CG 4.37Å; Y93-E116 WeakPolarHBondContact CE1-OE1 3.45Å; Y93-E116 WeakPolarHBondContact CE1-OE2 3.45Å; Y93-E116 PolarHBondContact OH-OE2 3.42Å; Y93-R118 WeakPolarHBondContact CA-O 3.24Å; Y93-R118 HydrophobicContact CD1-CB 3.89Å; Y93-R118 HydrophobicContact CD1-CG 4.34Å; Y93-R118 HydrophobicContact CE1-CB 4.07Å
94	V	83.9	Confident	92.2	Very high	64 Å²	64	46.5 Å²	46.5	39%	0.388	22%	0.219	S	C	.	.	S	Bend	trans	58.3	25.2	163.1	-169.3	0	0	0	0	113	K96 R118 N119	V94-K96 PolarHBondContact O-N 2.92Å; V94-R118 PolarHBondContact N-O 2.81Å; V94-N119 HydrophobicContact CG2-CB 4.08Å
95	D	84.9	Confident	92.4	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.027	22%	0.218	C	C	.	.			trans	-69.6	128	178.3	-159.6	-65.5	0	0	0	111.3	T71 Y93 K97 L98 T120	T71-D95 WeakPolarHBondContact CA-OD2 3.31Å; T71-D95 VanDerWaalsContact CB-OD2 3.3Å; T71-D95 WeakPolarHBondContact CB-OD2 3.38Å; T71-D95 PolarHBondContact N-OD2 2.95Å; T71-D95 PolarHBondContact OG1-OD2 3.46Å; Y93-D95 PolarHBondContact O-N 3.21Å; D95-K97 PolarHBondContact OD1-N 3.16Å; D95-L98 HydrophobicContact CB-CB 3.99Å; D95-L98 WeakPolarHBondContact OD1-CB 3.22Å; D95-L98 PolarHBondContact OD1-N 3.27Å; D95-T120 HydrophobicContact CB-CG2 3.86Å
96	K	87.2	Confident	92.8	Very high	124 Å²	124	41.7 Å²	41.7	54%	0.539	19%	0.189	S	C	.	.	S	Bend	trans	-96.6	-8.6	-176	-50.9	-165.3	-164.6	81.1	0	113.8	D70 V94 M122	D70-K96 IonicContact OD1-NZ 2.79Å; D70-K96 PolarHBondContact OD1-NZ 2.84Å; D70-K96 IonicContact OD2-NZ 3.86Å; D70-K96 PolarHBondContact OD2-NZ 3.4Å; V94-K96 PolarHBondContact O-N 2.92Å; K96-M122 VanDerWaalsContact O-SD 3.33Å
97	K	91.6	Very high	93	Very high	98 Å²	98	43.3 Å²	43.3	43%	0.426	19%	0.192	S	C	.	.	S	Bend	trans	-121.6	-20.3	-176.9	-71.5	-164.8	-168.8	171.7	0	114.3	D54 K72 L73 D95 Q99	D54-K97 IonicContact OD1-NZ 2.68Å; K72-K97 HydrophobicContact CB-CD 3.97Å; K72-K97 HydrophobicContact CG-CD 4.47Å; K72-K97 WeakPolarHBondContact O-CD 3.42Å; L73-K97 CarbonylContact O-C 3.58Å; D95-K97 PolarHBondContact OD1-N 3.16Å; K97-Q99 WeakPolarHBondContact O-CG 3.32Å; K97-Q99 PolarHBondContact O-N 2.99Å; K97-Q99 VanDerWaalsContact O-N 3.14Å
98	L	94.2	Very high	93	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	21%	0.209	C	C	.	.			trans	-61.8	113.9	-176.8	179.9	61.5	0	0	0	111.1	L73 I76 I92 D95 T120 M122 L123	L73-L98 WeakPolarHBondContact O-CA 3.48Å; L73-L98 PolarHBondContact O-N 3.14Å; I76-L98 HydrophobicContact CD1-CD2 4.4Å; I76-L98 HydrophobicContact CG1-CD1 4.06Å; I92-L98 HydrophobicContact CG2-CD2 4.05Å; D95-L98 HydrophobicContact CB-CB 3.99Å; D95-L98 WeakPolarHBondContact OD1-CB 3.22Å; D95-L98 PolarHBondContact OD1-N 3.27Å; L98-T120 HydrophobicContact CD2-CG2 4.32Å; L98-M122 CarbonylContact O-C 3.57Å; L98-M122 WeakPolarHBondContact O-CB 3.5Å; L98-L123 WeakPolarHBondContact O-CA 3.23Å; L98-L123 PolarHBondContact O-N 3.47Å
99	Q	93.9	Very high	93	Very high	75 Å²	75	45.2 Å²	45.2	35%	0.35	20%	0.199	S	C	.	.			trans	-104.6	-27.8	-176.5	-76.4	168	30.1	0	0	114	S74 K97 M122 T124 Y125	S74-Q99 PolarHBondContact O-N 2.96Å; K97-Q99 WeakPolarHBondContact O-CG 3.32Å; K97-Q99 PolarHBondContact O-N 2.99Å; K97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-M122 WeakPolarHBondContact CA-O 3.32Å; Q99-M122 HydrophobicContact CG-CB 4.19Å; Q99-M122 HydrophobicContact CG-CE 4.24Å; Q99-T124 PolarHBondContact O-N 2.87Å; Q99-Y125 PolarHBondContact O-N 3.15Å
100	R	95.2	Very high	92.8	Very high	113 Å²	113	53.1 Å²	53.1	43%	0.426	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148	-172.4	64.7	-173.2	71	170.3	4.9	114.2	S75 I76 E102 Y125	S75-R100 VanDerWaalsContact CA-O 3.24Å; S75-R100 WeakPolarHBondContact CA-O 3.2Å; S75-R100 WeakPolarHBondContact CB-O 3.4Å; I76-R100 PolarHBondContact N-O 3.36Å; R100-E102 WeakPolarHBondContact CD-OE1 3.32Å; R100-Y125 VanDerWaalsContact CA-O 3.26Å; R100-Y125 WeakPolarHBondContact CA-O 3.48Å; R100-Y125 HydrophobicContact CB-CD1 4.15Å
101	L	96.1	Very high	92.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.8	158.7	-56.9	-175.9	0	0	0	108.6	I76 F106 I117 L123 Y125 V126 D127 A130 F131	I76-L101 HydrophobicContact CB-CD2 3.98Å; I76-L101 HydrophobicContact CD1-CD2 3.78Å; I76-L101 HydrophobicContact CG1-CD2 4.04Å; L101-F106 HydrophobicContact CD1-CE2 4.06Å; L101-F106 HydrophobicContact CD2-CE2 4.4Å; L101-I117 HydrophobicContact CD1-CD1 3.74Å; L101-I117 HydrophobicContact CD2-CD1 4.42Å; L101-L123 HydrophobicContact CG-CD1 4.29Å; L101-Y125 PolarHBondContact N-O 2.95Å; L101-Y125 VanDerWaalsContact N-O 3.1Å; L101-V126 HydrophobicContact CB-CG1 4.48Å; L101-V126 HydrophobicContact CB-CG2 4.35Å; L101-V126 HydrophobicContact CD1-CG1 4.16Å; L101-V126 HydrophobicContact CD1-CG2 3.87Å; L101-V126 HydrophobicContact CG-CG2 4.04Å; L101-D127 PolarHBondContact O-N 3.48Å; L101-D127 VanDerWaalsContact O-N 3.15Å; L101-A130 HydrophobicContact CB-CB 3.96Å; L101-A130 HydrophobicContact CD1-CB 4.5Å; L101-F131 HydrophobicContact CD1-CE2 4.02Å; L101-F131 HydrophobicContact CD1-CZ 3.73Å
102	E	95.5	Very high	92.7	Very high	61 Å²	61	55.9 Å²	55.9	29%	0.285	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-78.2	166.6	176.8	-55.5	-66	173.7	0	0	111.5	S75 I76 R100 H104 S105	S75-E102 WeakPolarHBondContact CB-OE1 3.19Å; S75-E102 PolarHBondContact OG-OE1 3.47Å; I76-E102 WeakPolarHBondContact O-CB 3.39Å; I76-E102 WeakPolarHBondContact O-CG 3.23Å; I76-E102 PolarHBondContact O-N 2.84Å; R100-E102 WeakPolarHBondContact CD-OE1 3.32Å; E102-H104 PolarHBondContact O-N 3.31Å; E102-S105 PolarHBondContact N-OG 3.38Å; E102-S105 PolarHBondContact O-N 2.91Å; E102-S105 VanDerWaalsContact O-N 3.16Å; E102-S105 PolarHBondContact O-OG 3.21Å
103	R	94.7	Very high	92.8	Very high	129 Å²	129	57.2 Å²	57.2	49%	0.487	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	132.2	170.2	-177.4	174.8	-169	-158.8	4.2	111.5	A78 S105 D127 E129	A78-R103 WeakPolarHBondContact CA-O 3.48Å; A78-R103 WeakPolarHBondContact CB-O 3.46Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 3.12Å; R103-D127 WeakPolarHBondContact CA-OD1 3.27Å; R103-E129 HydrophobicContact CG-CB 4.17Å; R103-E129 IonicContact CZ-OE2 2.66Å; R103-E129 IonicContact NE-OE2 2.63Å; R103-E129 PolarHBondContact NE-OE2 3.24Å; R103-E129 IonicContact NH2-OE2 3.38Å; R103-E129 PolarHBondContact NH2-OE2 3.46Å
104	H	95.2	Very high	93	Very high	40 Å²	40	59.9 Å²	59.9	19%	0.185	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	31.3	-179.4	-53.1	152.8	0	0	0	114.6	N79 E102 F106 Y107 E129 K132	N79-H104 PolarHBondContact N-O 3.05Å; E102-H104 PolarHBondContact O-N 3.31Å; H104-F106 VanDerWaalsContact C-N 3.29Å; H104-F106 PolarHBondContact O-N 3.1Å; H104-Y107 HydrophobicContact CB-CD1 4.45Å; H104-Y107 HydrophobicContact CB-CG 4.19Å; H104-E129 WeakPolarHBondContact CA-O 3.44Å; H104-E129 PolarHBondContact CD2-O 2.82Å; H104-E129 IonicContact CD2-OE2 2.66Å; H104-E129 IonicContact CE1-OE2 3.57Å; H104-E129 PolarHBondContact N-O 3.06Å; H104-E129 VanDerWaalsContact NE2-CB 3.3Å; H104-E129 WeakPolarHBondContact NE2-CB 3.32Å; H104-E129 IonicContact NE2-OE1 3.69Å; H104-E129 PolarHBondContact NE2-OE1 2.95Å; H104-E129 IonicContact NE2-OE2 2.82Å; H104-E129 PolarHBondContact NE2-OE2 3.21Å; H104-K132 PolarHBondContact NE2-NZ 3.47Å
105	S	94.1	Very high	93.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	24%	0.244	C	C	.	.	S	Bend	trans	-52.7	-46.3	169.2	-68.7	0	0	0	0	112.2	I76 F81 E102 R103	I76-S105 PolarHBondContact O-OG 3.39Å; F81-S105 VanDerWaalsContact CD2-O 3.26Å; F81-S105 WeakPolarHBondContact CD2-O 3.43Å; E102-S105 PolarHBondContact N-OG 3.38Å; E102-S105 PolarHBondContact O-N 2.91Å; E102-S105 VanDerWaalsContact O-N 3.16Å; E102-S105 PolarHBondContact O-OG 3.21Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 3.12Å
106	F	94.9	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	93	178.8	-58	-90.3	0	0	0	109.3	F81 I90 I92 L101 H104 L109 I115 I117 A130 F131 K132 L134	F81-F106 AromaticContact CD2-CD1 3.89Å; F81-F106 HydrophobicContact CD2-CD1 3.89Å; F81-F106 AromaticContact CD2-CE1 3.98Å; F81-F106 HydrophobicContact CD2-CE1 3.98Å; F81-F106 AromaticContact CE2-CD1 3.88Å; F81-F106 HydrophobicContact CE2-CD1 3.88Å; F81-F106 AromaticContact CE2-CE1 3.53Å; F81-F106 HydrophobicContact CE2-CE1 3.53Å; F81-F106 AromaticContact CE2-CZ 3.93Å; F81-F106 HydrophobicContact CE2-CZ 3.93Å; F81-F106 HydrophobicContact CZ-CE1 4.43Å; I90-F106 HydrophobicContact CB-CE1 4.2Å; I90-F106 HydrophobicContact CD1-CD1 3.8Å; I90-F106 HydrophobicContact CD1-CE1 3.69Å; I90-F106 HydrophobicContact CG2-CE1 3.9Å; I92-F106 HydrophobicContact CD1-CZ 3.93Å; L101-F106 HydrophobicContact CD1-CE2 4.06Å; L101-F106 HydrophobicContact CD2-CE2 4.4Å; H104-F106 VanDerWaalsContact C-N 3.29Å; H104-F106 PolarHBondContact O-N 3.1Å; F106-L109 HydrophobicContact CD1-CD1 4.37Å; F106-I115 HydrophobicContact CB-CD1 4.32Å; F106-I115 HydrophobicContact CD1-CD1 3.75Å; F106-I115 HydrophobicContact CD1-CG1 4.41Å; F106-I115 HydrophobicContact CD1-CG2 4.44Å; F106-I115 HydrophobicContact CE1-CD1 4.26Å; F106-I115 HydrophobicContact CE1-CG2 3.93Å; F106-I115 HydrophobicContact CG-CD1 4.12Å; F106-I115 HydrophobicContact CZ-CG2 4.07Å; F106-I117 HydrophobicContact CE2-CD1 4.28Å; F106-I117 HydrophobicContact CZ-CD1 4.39Å; F106-A130 WeakPolarHBondContact CA-O 3.25Å; F106-A130 WeakPolarHBondContact CB-O 3.39Å; F106-A130 PolarHBondContact N-O 3.48Å; F106-F131 HydrophobicContact CB-CD1 3.87Å; F106-F131 HydrophobicContact CB-CE1 4.36Å; F106-F131 AromaticContact CD2-CD1 3.67Å; F106-F131 HydrophobicContact CD2-CD1 3.67Å; F106-F131 AromaticContact CD2-CE1 3.34Å; F106-F131 HydrophobicContact CD2-CE1 3.34Å; F106-F131 HydrophobicContact CD2-CZ 4.13Å; F106-F131 HydrophobicContact CE2-CD1 4.45Å; F106-F131 AromaticContact CE2-CE1 3.68Å; F106-F131 HydrophobicContact CE2-CE1 3.68Å; F106-F131 HydrophobicContact CE2-CZ 4.19Å; F106-F131 AromaticContact CG-CD1 3.93Å; F106-F131 HydrophobicContact CG-CD1 3.93Å; F106-F131 AromaticContact CG-CE1 3.91Å; F106-F131 HydrophobicContact CG-CE1 3.91Å; F106-F131 HydrophobicContact CZ-CE1 4.47Å; F106-K132 PolarHBondContact O-N 3.28Å; F106-L134 HydrophobicContact CB-CD1 4.25Å
107	Y	94.4	Very high	94.7	Very high	89 Å²	89	51.5 Å²	51.5	35%	0.349	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.9	-172.2	176.2	-123	0	0	0	112.5	H104 L109 K132	H104-Y107 HydrophobicContact CB-CD1 4.45Å; H104-Y107 HydrophobicContact CB-CG 4.19Å; Y107-L109 PolarHBondContact O-N 2.99Å; Y107-L109 VanDerWaalsContact O-N 3.14Å; Y107-K132 WeakPolarHBondContact CA-O 3.49Å; Y107-K132 HydrophobicContact CD2-CB 3.94Å; Y107-K132 HydrophobicContact CD2-CD 4.24Å; Y107-K132 HydrophobicContact CD2-CG 3.93Å; Y107-K132 WeakPolarHBondContact CD2-O 3.45Å; Y107-K132 HydrophobicContact CE2-CD 4.21Å; Y107-K132 HydrophobicContact CE2-CG 4.08Å
108	N	92.6	Very high	94.8	Very high	68 Å²	68	51.4 Å²	51.4	36%	0.364	22%	0.218	S	C	.	.	S	Bend	trans	56.4	28.3	172.5	-171.2	28.8	0	0	0	114.6	R110 K132 H133	N108-R110 PolarHBondContact O-N 3.33Å; N108-K132 PolarHBondContact N-O 3.47Å; N108-K132 VanDerWaalsContact N-O 3.16Å; N108-H133 WeakPolarHBondContact CA-O 3.33Å; N108-H133 PolarHBondContact N-O 2.96Å
109	L	93	Very high	94.8	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	23%	0.231	C	C	.	.			trans	-81.6	85.4	179.4	-56	-179.6	0	0	0	110	F81 I87 I90 F106 Y107 K111 I112 L134	F81-L109 HydrophobicContact CB-CD1 4.19Å; F81-L109 HydrophobicContact CB-CD2 4.04Å; F81-L109 WeakPolarHBondContact O-CD2 3.41Å; I87-L109 HydrophobicContact CG2-CB 4.45Å; I87-L109 HydrophobicContact CG2-CD1 4.25Å; I87-L109 HydrophobicContact CG2-CD2 4.23Å; I90-L109 HydrophobicContact CD1-CD1 3.85Å; F106-L109 HydrophobicContact CD1-CD1 4.37Å; Y107-L109 PolarHBondContact O-N 2.99Å; Y107-L109 VanDerWaalsContact O-N 3.14Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.94Å; L109-I112 HydrophobicContact CB-CB 3.87Å; L109-I112 HydrophobicContact CB-CG2 3.94Å; L109-I112 VanDerWaalsContact O-CG2 3.29Å; L109-I112 WeakPolarHBondContact O-CG2 3.37Å; L109-I112 PolarHBondContact O-N 3.31Å; L109-L134 HydrophobicContact CB-CD2 3.96Å; L109-L134 HydrophobicContact CG-CD2 4.25Å
110	R	91.4	Very high	94.7	Very high	167 Å²	167	50.3 Å²	50.3	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.3	-169.8	-65.3	-176.7	-179.6	-173.5	-3	115.6	N108 N136	N108-R110 PolarHBondContact O-N 3.33Å; R110-N136 PolarHBondContact O-ND2 2.72Å
111	K	93.1	Very high	94.5	Very high	113 Å²	113	51.9 Å²	51.9	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.6	179	-69.5	-165.9	-173	171.8	0	114.4	N86 I87 S88 L109 T113	N86-K111 PolarHBondContact OD1-NZ 3.12Å; I87-K111 CarbonylContact O-C 3.06Å; S88-K111 WeakPolarHBondContact CA-O 3.49Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.94Å; K111-T113 PolarHBondContact O-N 3.48Å
112	I	95.3	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.246	C	C	.	.			trans	-63.9	135.8	-178.4	-160.5	72.3	0	0	0	109.7	I87 I90 L109 I115 L134 N136 L137	I87-I112 HydrophobicContact CG1-CD1 4.26Å; I87-I112 HydrophobicContact CG2-CD1 4.09Å; I87-I112 WeakPolarHBondContact O-CA 3.36Å; I87-I112 PolarHBondContact O-N 3.03Å; I87-I112 VanDerWaalsContact O-N 3.09Å; I90-I112 HydrophobicContact CD1-CD1 3.87Å; I90-I112 HydrophobicContact CG1-CD1 3.84Å; L109-I112 HydrophobicContact CB-CB 3.87Å; L109-I112 HydrophobicContact CB-CG2 3.94Å; L109-I112 VanDerWaalsContact O-CG2 3.29Å; L109-I112 WeakPolarHBondContact O-CG2 3.37Å; L109-I112 PolarHBondContact O-N 3.31Å; I112-I115 HydrophobicContact CD1-CG1 4.3Å; I112-I115 HydrophobicContact CG1-CD1 4.18Å; I112-I115 HydrophobicContact CG1-CG1 3.8Å; I112-L134 HydrophobicContact CG2-CB 4.04Å; I112-L134 HydrophobicContact CG2-CD2 4.18Å; I112-N136 CarbonylContact O-C 3.28Å; I112-N136 VanDerWaalsContact O-O 3.04Å; I112-L137 HydrophobicContact CG1-CD1 4.25Å; I112-L137 HydrophobicContact CG2-CB 4.26Å; I112-L137 HydrophobicContact CG2-CD1 4.07Å; I112-L137 WeakPolarHBondContact O-CA 3.47Å; I112-L137 PolarHBondContact O-N 3.19Å
113	T	95.5	Very high	94.3	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.184	23%	0.233	C	C	.	.			trans	-124	-31.5	177.5	60.5	0	0	0	0	112	S88 K111 K138 Y139	S88-T113 PolarHBondContact O-N 3.35Å; S88-T113 PolarHBondContact O-OG1 3.33Å; K111-T113 PolarHBondContact O-N 3.48Å; T113-K138 HydrophobicContact CG2-CD 4.28Å; T113-K138 HydrophobicContact CG2-CG 4.36Å; T113-K138 WeakPolarHBondContact O-CA 3.29Å; T113-K138 WeakPolarHBondContact O-CB 3.45Å; T113-K138 PolarHBondContact O-N 3.13Å; T113-Y139 PolarHBondContact O-N 3.32Å
114	H	97.2	Very high	94.2	Very high	67 Å²	67	50.6 Å²	50.6	31%	0.31	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.4	-178.6	-62.8	76.4	0	0	0	110.9	S88 G89 I90	S88-H114 PolarHBondContact O-N 3.18Å; S88-H114 VanDerWaalsContact O-N 3.11Å; G89-H114 WeakPolarHBondContact CA-O 3.35Å; I90-H114 PolarHBondContact N-O 3.44Å
115	I	97.1	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.7	165.8	-58.9	173	0	0	0	107.4	I90 F106 I112 I117 F131 L134 L137 Y139 L140 G141	I90-I115 VanDerWaalsContact O-CA 3.31Å; I90-I115 WeakPolarHBondContact O-CA 3.21Å; F106-I115 HydrophobicContact CB-CD1 4.32Å; F106-I115 HydrophobicContact CD1-CD1 3.75Å; F106-I115 HydrophobicContact CD1-CG1 4.41Å; F106-I115 HydrophobicContact CD1-CG2 4.44Å; F106-I115 HydrophobicContact CE1-CD1 4.26Å; F106-I115 HydrophobicContact CE1-CG2 3.93Å; F106-I115 HydrophobicContact CG-CD1 4.12Å; F106-I115 HydrophobicContact CZ-CG2 4.07Å; I112-I115 HydrophobicContact CD1-CG1 4.3Å; I112-I115 HydrophobicContact CG1-CD1 4.18Å; I112-I115 HydrophobicContact CG1-CG1 3.8Å; I115-I117 HydrophobicContact CG2-CG1 4.43Å; I115-F131 HydrophobicContact CD1-CD1 4.27Å; I115-F131 HydrophobicContact CD1-CE1 4.29Å; I115-F131 HydrophobicContact CG2-CE1 4.21Å; I115-L134 HydrophobicContact CD1-CD1 4.06Å; I115-L137 HydrophobicContact CB-CD1 4.42Å; I115-L137 HydrophobicContact CD1-CD1 3.92Å; I115-L137 HydrophobicContact CD1-CD2 4.32Å; I115-L137 HydrophobicContact CG1-CD1 3.8Å; I115-Y139 PolarHBondContact N-O 2.97Å; I115-L140 HydrophobicContact CB-CD1 3.94Å; I115-L140 HydrophobicContact CG2-CD1 3.98Å; I115-L140 WeakPolarHBondContact O-CA 3.41Å; I115-G141 PolarHBondContact O-N 3.15Å
116	E	97.1	Very high	94.2	Very high	16 Å²	16	54.7 Å²	54.7	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.9	171.9	-163.3	-169.5	163.1	0	0	110.6	I90 Y91 I92 Y93 R118 Y139 G141 L143	I90-E116 PolarHBondContact O-N 3.25Å; Y91-E116 CarbonylContact C-O 3.53Å; Y91-E116 WeakPolarHBondContact CA-O 3.43Å; Y91-E116 HydrophobicContact CD1-CB 3.85Å; Y91-E116 HydrophobicContact CE1-CB 4.39Å; I92-E116 PolarHBondContact N-O 3.32Å; Y93-E116 HydrophobicContact CE1-CG 4.37Å; Y93-E116 WeakPolarHBondContact CE1-OE1 3.45Å; Y93-E116 WeakPolarHBondContact CE1-OE2 3.45Å; Y93-E116 PolarHBondContact OH-OE2 3.42Å; E116-R118 HydrophobicContact CG-CB 4.3Å; E116-R118 WeakPolarHBondContact OE1-CD 3.32Å; E116-R118 IonicContact OE1-NE 3.97Å; E116-R118 IonicContact OE1-NH1 2.68Å; E116-R118 PolarHBondContact OE1-NH1 3.27Å; E116-Y139 HydrophobicContact CB-CE1 4.16Å; E116-Y139 HydrophobicContact CG-CE1 4.2Å; E116-G141 CarbonylContact C-O 3.6Å; E116-G141 WeakPolarHBondContact CA-O 3.49Å; E116-L143 HydrophobicContact CG-CD1 3.85Å
117	I	95.8	Very high	94.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.3	173.6	-54.7	-177.3	0	0	0	108	I92 L101 F106 I115 T120 L123 F131 G141 I142 L143 T145	I92-I117 HydrophobicContact CB-CG1 4.43Å; I92-I117 HydrophobicContact CB-CG2 4.47Å; I92-I117 HydrophobicContact CD1-CD1 4.29Å; I92-I117 HydrophobicContact CD1-CG1 4Å; I92-I117 HydrophobicContact CG2-CG2 4.36Å; L101-I117 HydrophobicContact CD1-CD1 3.74Å; L101-I117 HydrophobicContact CD2-CD1 4.42Å; F106-I117 HydrophobicContact CE2-CD1 4.28Å; F106-I117 HydrophobicContact CZ-CD1 4.39Å; I115-I117 HydrophobicContact CG2-CG1 4.43Å; I117-T120 HydrophobicContact CG2-CG2 4.01Å; I117-T120 WeakPolarHBondContact CG2-OG1 3.41Å; I117-L123 HydrophobicContact CG2-CD2 3.76Å; I117-F131 HydrophobicContact CD1-CZ 4.13Å; I117-G141 PolarHBondContact N-O 3.31Å; I117-I142 CarbonylContact O-C 3.04Å; I117-I142 WeakPolarHBondContact O-CA 3.48Å; I117-L143 PolarHBondContact O-N 3.27Å; I117-T145 HydrophobicContact CG2-CG2 4.48Å
118	R	95.4	Very high	94.2	Very high	96 Å²	96	55 Å²	55	36%	0.362	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.7	-167.9	173.3	172.4	173.5	-157.7	1.4	115	I92 Y93 V94 E116 T120 L143	I92-R118 PolarHBondContact O-N 3.14Å; Y93-R118 WeakPolarHBondContact CA-O 3.24Å; Y93-R118 HydrophobicContact CD1-CB 3.89Å; Y93-R118 HydrophobicContact CD1-CG 4.34Å; Y93-R118 HydrophobicContact CE1-CB 4.07Å; V94-R118 PolarHBondContact N-O 2.81Å; E116-R118 HydrophobicContact CG-CB 4.3Å; E116-R118 WeakPolarHBondContact OE1-CD 3.32Å; E116-R118 IonicContact OE1-NE 3.97Å; E116-R118 IonicContact OE1-NH1 2.68Å; E116-R118 PolarHBondContact OE1-NH1 3.27Å; R118-T120 PolarHBondContact O-N 3.39Å; R118-L143 CarbonylContact C-O 3.52Å; R118-L143 VanDerWaalsContact CA-O 3.27Å; R118-L143 WeakPolarHBondContact CA-O 3.34Å; R118-L143 HydrophobicContact CB-CB 4.1Å; R118-L143 HydrophobicContact CB-CD1 4.39Å; R118-L143 HydrophobicContact CG-CB 3.98Å
119	N	93.3	Very high	94.3	Very high	54 Å²	54	53.6 Å²	53.6	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	64.2	18	-178.5	-54.7	-35	0	0	0	114.5	V94 K121 L143 N144	V94-N119 HydrophobicContact CG2-CB 4.08Å; N119-K121 VanDerWaalsContact C-N 3.31Å; N119-K121 PolarHBondContact O-N 3.02Å; N119-L143 PolarHBondContact N-O 3.33Å; N119-N144 CarbonylContact C-O 3.56Å; N119-N144 WeakPolarHBondContact CA-O 3.42Å; N119-N144 PolarHBondContact OD1-ND2 3.15Å
120	T	92.4	Very high	94.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.246	C	C	.	.			trans	-83.6	68.8	-179.2	53.9	0	0	0	0	111.1	I92 D95 L98 I117 R118 M122 L123 T145	I92-T120 HydrophobicContact CG2-CG2 3.88Å; D95-T120 HydrophobicContact CB-CG2 3.86Å; L98-T120 HydrophobicContact CD2-CG2 4.32Å; I117-T120 HydrophobicContact CG2-CG2 4.01Å; I117-T120 WeakPolarHBondContact CG2-OG1 3.41Å; R118-T120 PolarHBondContact O-N 3.39Å; T120-M122 PolarHBondContact O-N 3.11Å; T120-L123 VanDerWaalsContact O-CB 3.28Å; T120-L123 WeakPolarHBondContact O-CB 3.5Å; T120-L123 PolarHBondContact O-N 2.96Å; T120-T145 VanDerWaalsContact OG1-CG2 3.29Å; T120-T145 WeakPolarHBondContact OG1-CG2 3.4Å
121	K	90.7	Very high	94.6	Very high	146 Å²	146	45.3 Å²	45.3	64%	0.635	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	-168	-68.4	-171.4	176.6	-174.5	0	115.9	N119 G146	N119-K121 VanDerWaalsContact C-N 3.31Å; N119-K121 PolarHBondContact O-N 3.02Å; K121-G146 WeakPolarHBondContact O-CA 3.41Å
122	M	92.9	Very high	94.7	Very high	91 Å²	91	42.3 Å²	42.3	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.7	175	-68.9	-152.2	73.3	0	0	114	K96 L98 Q99 T120 T124	K96-M122 VanDerWaalsContact O-SD 3.33Å; L98-M122 CarbonylContact O-C 3.57Å; L98-M122 WeakPolarHBondContact O-CB 3.5Å; Q99-M122 WeakPolarHBondContact CA-O 3.32Å; Q99-M122 HydrophobicContact CG-CB 4.19Å; Q99-M122 HydrophobicContact CG-CE 4.24Å; T120-M122 PolarHBondContact O-N 3.11Å; M122-T124 PolarHBondContact O-N 3.26Å
123	L	94.2	Very high	94.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.222	C	C	.	.			trans	-72.8	95.6	-176.8	176.7	58.8	0	0	0	110.2	L98 L101 I117 T120 Y125 V126 T145 G146 L147	L98-L123 WeakPolarHBondContact O-CA 3.23Å; L98-L123 PolarHBondContact O-N 3.47Å; L101-L123 HydrophobicContact CG-CD1 4.29Å; I117-L123 HydrophobicContact CG2-CD2 3.76Å; T120-L123 VanDerWaalsContact O-CB 3.28Å; T120-L123 WeakPolarHBondContact O-CB 3.5Å; T120-L123 PolarHBondContact O-N 2.96Å; L123-Y125 VanDerWaalsContact CD1-O 3.31Å; L123-Y125 WeakPolarHBondContact CD1-O 3.47Å; L123-V126 HydrophobicContact CD1-CG2 4.44Å; L123-T145 HydrophobicContact CD2-CG2 4.42Å; L123-G146 CarbonylContact O-C 3.45Å; L123-G146 WeakPolarHBondContact O-CA 3.45Å; L123-G146 PolarHBondContact O-N 3.23Å; L123-L147 PolarHBondContact O-N 3.39Å
124	T	93	Very high	94.6	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.442	21%	0.213	S	C	.	.			trans	-102	-17.2	-176.7	53.7	0	0	0	0	113.6	Q99 M122	Q99-T124 PolarHBondContact O-N 2.87Å; M122-T124 PolarHBondContact O-N 3.26Å
125	Y	94.2	Very high	94.4	Very high	112 Å²	112	42.5 Å²	42.5	44%	0.439	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.3	-177.5	-178.5	-97.7	0	0	0	112.8	Q99 R100 L101 L123 D127	Q99-Y125 PolarHBondContact O-N 3.15Å; R100-Y125 VanDerWaalsContact CA-O 3.26Å; R100-Y125 WeakPolarHBondContact CA-O 3.48Å; R100-Y125 HydrophobicContact CB-CD1 4.15Å; L101-Y125 PolarHBondContact N-O 2.95Å; L101-Y125 VanDerWaalsContact N-O 3.1Å; L123-Y125 VanDerWaalsContact CD1-O 3.31Å; L123-Y125 WeakPolarHBondContact CD1-O 3.47Å; Y125-D127 HydrophobicContact CE1-CB 3.96Å; Y125-D127 PolarHBondContact OH-OD2 3.47Å
126	V	95.8	Very high	94.3	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.8	170.8	168.7	0	0	0	0	107.1	L101 L123 A130 F131 L147 P151	L101-V126 HydrophobicContact CB-CG1 4.48Å; L101-V126 HydrophobicContact CB-CG2 4.35Å; L101-V126 HydrophobicContact CD1-CG1 4.16Å; L101-V126 HydrophobicContact CD1-CG2 3.87Å; L101-V126 HydrophobicContact CG-CG2 4.04Å; L123-V126 HydrophobicContact CD1-CG2 4.44Å; V126-A130 HydrophobicContact CG1-CB 3.9Å; V126-F131 HydrophobicContact CG1-CD2 4.35Å; V126-F131 HydrophobicContact CG1-CE2 3.94Å; V126-L147 HydrophobicContact CG2-CD2 4.05Å; V126-P151 HydrophobicContact CG1-CB 4.5Å
127	D	95.7	Very high	94.3	Very high	30 Å²	30	45.5 Å²	45.5	16%	0.16	22%	0.221	C	C	.	.			trans	-63.8	141	178.4	-171.4	-94.8	0	0	0	112.1	L101 R103 Y125 E129 A130	L101-D127 PolarHBondContact O-N 3.48Å; L101-D127 VanDerWaalsContact O-N 3.15Å; R103-D127 WeakPolarHBondContact CA-OD1 3.27Å; Y125-D127 HydrophobicContact CE1-CB 3.96Å; Y125-D127 PolarHBondContact OH-OD2 3.47Å; D127-E129 PolarHBondContact O-N 3.49Å; D127-E129 VanDerWaalsContact O-N 3.09Å; D127-E129 PolarHBondContact OD1-N 3.49Å; D127-A130 HydrophobicContact CB-CB 4.12Å; D127-A130 WeakPolarHBondContact O-CB 3.3Å; D127-A130 PolarHBondContact O-N 3.21Å
128	P	93.4	Very high	94.3	Very high	64 Å²	64	49.5 Å²	49.5	42%	0.416	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.6	178.5	-25.7	35.9	0	0	0	115.9	A152 N155	P128-A152 HydrophobicContact CB-CB 4.03Å; P128-N155 PolarHBondContact O-ND2 3.06Å; P128-N155 VanDerWaalsContact O-ND2 3.12Å
129	E	94.2	Very high	94.4	Very high	40 Å²	40	46.6 Å²	46.6	19%	0.187	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	18.4	168.9	-57.2	-161.5	134.6	0	0	112.8	R103 H104 D127 F131 K132	R103-E129 HydrophobicContact CG-CB 4.17Å; R103-E129 IonicContact CZ-OE2 2.66Å; R103-E129 IonicContact NE-OE2 2.63Å; R103-E129 PolarHBondContact NE-OE2 3.24Å; R103-E129 IonicContact NH2-OE2 3.38Å; R103-E129 PolarHBondContact NH2-OE2 3.46Å; H104-E129 WeakPolarHBondContact CA-O 3.44Å; H104-E129 PolarHBondContact CD2-O 2.82Å; H104-E129 IonicContact CD2-OE2 2.66Å; H104-E129 IonicContact CE1-OE2 3.57Å; H104-E129 PolarHBondContact N-O 3.06Å; H104-E129 VanDerWaalsContact NE2-CB 3.3Å; H104-E129 WeakPolarHBondContact NE2-CB 3.32Å; H104-E129 IonicContact NE2-OE1 3.69Å; H104-E129 PolarHBondContact NE2-OE1 2.95Å; H104-E129 IonicContact NE2-OE2 2.82Å; H104-E129 PolarHBondContact NE2-OE2 3.21Å; D127-E129 PolarHBondContact O-N 3.49Å; D127-E129 VanDerWaalsContact O-N 3.09Å; D127-E129 PolarHBondContact OD1-N 3.49Å; E129-F131 VanDerWaalsContact C-N 3.27Å; E129-F131 PolarHBondContact O-N 3.34Å; E129-K132 HydrophobicContact CB-CD 4.22Å; E129-K132 VanDerWaalsContact CD-NZ 3.31Å; E129-K132 HydrophobicContact CG-CD 4.42Å; E129-K132 IonicContact OE1-NZ 3.28Å; E129-K132 PolarHBondContact OE1-NZ 3.09Å; E129-K132 IonicContact OE2-NZ 3.95Å; E129-K132 PolarHBondContact OE2-NZ 2.88Å
130	A	95.5	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-62.6	-33.7	174.4	0	0	0	0	0	112.5	L101 F106 V126 D127	L101-A130 HydrophobicContact CB-CB 3.96Å; L101-A130 HydrophobicContact CD1-CB 4.5Å; F106-A130 WeakPolarHBondContact CA-O 3.25Å; F106-A130 WeakPolarHBondContact CB-O 3.39Å; F106-A130 PolarHBondContact N-O 3.48Å; V126-A130 HydrophobicContact CG1-CB 3.9Å; D127-A130 HydrophobicContact CB-CB 4.12Å; D127-A130 WeakPolarHBondContact O-CB 3.3Å; D127-A130 PolarHBondContact O-N 3.21Å
131	F	95.6	Very high	94.8	Very high	3 Å²	3	44 Å²	44	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.1	174.2	-57.5	-77	0	0	0	109.7	L101 F106 I115 I117 V126 E129 L134 L140 I142 L153 I156	L101-F131 HydrophobicContact CD1-CE2 4.02Å; L101-F131 HydrophobicContact CD1-CZ 3.73Å; F106-F131 HydrophobicContact CB-CD1 3.87Å; F106-F131 HydrophobicContact CB-CE1 4.36Å; F106-F131 AromaticContact CD2-CD1 3.67Å; F106-F131 HydrophobicContact CD2-CD1 3.67Å; F106-F131 AromaticContact CD2-CE1 3.34Å; F106-F131 HydrophobicContact CD2-CE1 3.34Å; F106-F131 HydrophobicContact CD2-CZ 4.13Å; F106-F131 HydrophobicContact CE2-CD1 4.45Å; F106-F131 AromaticContact CE2-CE1 3.68Å; F106-F131 HydrophobicContact CE2-CE1 3.68Å; F106-F131 HydrophobicContact CE2-CZ 4.19Å; F106-F131 AromaticContact CG-CD1 3.93Å; F106-F131 HydrophobicContact CG-CD1 3.93Å; F106-F131 AromaticContact CG-CE1 3.91Å; F106-F131 HydrophobicContact CG-CE1 3.91Å; F106-F131 HydrophobicContact CZ-CE1 4.47Å; I115-F131 HydrophobicContact CD1-CD1 4.27Å; I115-F131 HydrophobicContact CD1-CE1 4.29Å; I115-F131 HydrophobicContact CG2-CE1 4.21Å; I117-F131 HydrophobicContact CD1-CZ 4.13Å; V126-F131 HydrophobicContact CG1-CD2 4.35Å; V126-F131 HydrophobicContact CG1-CE2 3.94Å; E129-F131 VanDerWaalsContact C-N 3.27Å; E129-F131 PolarHBondContact O-N 3.34Å; F131-L134 HydrophobicContact CB-CD1 4.23Å; F131-L134 HydrophobicContact CD1-CD1 4.35Å; F131-L140 HydrophobicContact CD1-CD1 4.39Å; F131-L140 HydrophobicContact CE1-CD1 3.86Å; F131-L140 HydrophobicContact CZ-CD1 4.05Å; F131-I142 HydrophobicContact CE2-CD1 4.39Å; F131-L153 HydrophobicContact CD2-CD2 3.85Å; F131-L153 HydrophobicContact CE2-CD2 4.3Å; F131-I156 HydrophobicContact CB-CD1 4.3Å; F131-I156 HydrophobicContact CB-CG1 3.88Å
132	K	94.6	Very high	95.1	Very high	50 Å²	50	37.1 Å²	37.1	22%	0.217	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	128.1	-172.3	-176.3	169.7	-177.8	177	0	113.7	H104 F106 Y107 N108 E129 N155	H104-K132 PolarHBondContact NE2-NZ 3.47Å; F106-K132 PolarHBondContact O-N 3.28Å; Y107-K132 WeakPolarHBondContact CA-O 3.49Å; Y107-K132 HydrophobicContact CD2-CB 3.94Å; Y107-K132 HydrophobicContact CD2-CD 4.24Å; Y107-K132 HydrophobicContact CD2-CG 3.93Å; Y107-K132 WeakPolarHBondContact CD2-O 3.45Å; Y107-K132 HydrophobicContact CE2-CD 4.21Å; Y107-K132 HydrophobicContact CE2-CG 4.08Å; N108-K132 PolarHBondContact N-O 3.47Å; N108-K132 VanDerWaalsContact N-O 3.16Å; E129-K132 HydrophobicContact CB-CD 4.22Å; E129-K132 VanDerWaalsContact CD-NZ 3.31Å; E129-K132 HydrophobicContact CG-CD 4.42Å; E129-K132 IonicContact OE1-NZ 3.28Å; E129-K132 PolarHBondContact OE1-NZ 3.09Å; E129-K132 IonicContact OE2-NZ 3.95Å; E129-K132 PolarHBondContact OE2-NZ 2.88Å; K132-N155 WeakPolarHBondContact CA-O 3.29Å; K132-N155 HydrophobicContact CB-CB 4.37Å; K132-N155 HydrophobicContact CG-CB 4.2Å
133	H	92.7	Very high	95.2	Very high	81 Å²	81	33.5 Å²	33.5	38%	0.375	17%	0.166	S	C	.	.			trans	52.6	73.1	-179.9	-170.7	66.7	0	0	0	113	N108 P135 N155 I156	N108-H133 WeakPolarHBondContact CA-O 3.33Å; N108-H133 PolarHBondContact N-O 2.96Å; H133-P135 WeakPolarHBondContact O-CD 3.32Å; H133-N155 PolarHBondContact N-O 2.66Å; H133-I156 WeakPolarHBondContact CA-O 3.22Å; H133-I156 PolarHBondContact N-O 3.31Å
134	L	95.3	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.			trans	-123.1	69.2	-176.3	-53.4	176.9	0	0	0	109.4	F106 L109 I112 I115 F131 N136 L137 I156	F106-L134 HydrophobicContact CB-CD1 4.25Å; L109-L134 HydrophobicContact CB-CD2 3.96Å; L109-L134 HydrophobicContact CG-CD2 4.25Å; I112-L134 HydrophobicContact CG2-CB 4.04Å; I112-L134 HydrophobicContact CG2-CD2 4.18Å; I115-L134 HydrophobicContact CD1-CD1 4.06Å; F131-L134 HydrophobicContact CB-CD1 4.23Å; F131-L134 HydrophobicContact CD1-CD1 4.35Å; L134-N136 VanDerWaalsContact C-N 3.27Å; L134-N136 PolarHBondContact O-N 2.9Å; L134-N136 VanDerWaalsContact O-N 3.1Å; L134-L137 HydrophobicContact CB-CB 4.02Å; L134-L137 HydrophobicContact CB-CD2 4.23Å; L134-L137 HydrophobicContact CD1-CD2 3.96Å; L134-L137 WeakPolarHBondContact O-CB 3.31Å; L134-L137 PolarHBondContact O-N 3.48Å; L134-L137 VanDerWaalsContact O-N 3.14Å; L134-I156 HydrophobicContact CB-CG2 4.35Å; L134-I156 PolarHBondContact N-O 3.01Å
135	P	94.2	Very high	95.3	Very high	20 Å²	20	32.6 Å²	32.6	13%	0.13	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.7	-158.3	26.9	-37	0	0	0	116.1	H133 N159	H133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-N159 PolarHBondContact O-N 2.94Å
136	N	94.8	Very high	95.2	Very high	80 Å²	80	28 Å²	28	43%	0.428	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	12	178.8	-70.6	-57.2	0	0	0	112.8	R110 I112 L134 K138	R110-N136 PolarHBondContact O-ND2 2.72Å; I112-N136 CarbonylContact O-C 3.28Å; I112-N136 VanDerWaalsContact O-O 3.04Å; L134-N136 VanDerWaalsContact C-N 3.27Å; L134-N136 PolarHBondContact O-N 2.9Å; L134-N136 VanDerWaalsContact O-N 3.1Å; N136-K138 WeakPolarHBondContact O-CG 3.31Å; N136-K138 PolarHBondContact O-N 3.13Å
137	L	96.3	Very high	95.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.			trans	-66.6	122.3	-179.2	-175.1	67.6	0	0	0	109.6	I112 I115 L134 Y139 L140 I156 S158 F163	I112-L137 HydrophobicContact CG1-CD1 4.25Å; I112-L137 HydrophobicContact CG2-CB 4.26Å; I112-L137 HydrophobicContact CG2-CD1 4.07Å; I112-L137 WeakPolarHBondContact O-CA 3.47Å; I112-L137 PolarHBondContact O-N 3.19Å; I115-L137 HydrophobicContact CB-CD1 4.42Å; I115-L137 HydrophobicContact CD1-CD1 3.92Å; I115-L137 HydrophobicContact CD1-CD2 4.32Å; I115-L137 HydrophobicContact CG1-CD1 3.8Å; L134-L137 HydrophobicContact CB-CB 4.02Å; L134-L137 HydrophobicContact CB-CD2 4.23Å; L134-L137 HydrophobicContact CD1-CD2 3.96Å; L134-L137 WeakPolarHBondContact O-CB 3.31Å; L134-L137 PolarHBondContact O-N 3.48Å; L134-L137 VanDerWaalsContact O-N 3.14Å; L137-Y139 WeakPolarHBondContact CD1-O 3.49Å; L137-L140 HydrophobicContact CD2-CB 4.33Å; L137-I156 HydrophobicContact CD2-CG2 4Å; L137-S158 PolarHBondContact N-OG 2.81Å; L137-S158 WeakPolarHBondContact O-CB 3.45Å; L137-S158 PolarHBondContact O-OG 3.44Å; L137-F163 HydrophobicContact CB-CE2 4.04Å; L137-F163 HydrophobicContact CD2-CE2 3.91Å; L137-F163 HydrophobicContact CD2-CZ 3.89Å; L137-F163 HydrophobicContact CG-CE2 3.85Å; L137-F163 HydrophobicContact CG-CZ 4.13Å; L137-F163 WeakPolarHBondContact O-CD2 3.11Å; L137-F163 VanDerWaalsContact O-CE2 3.27Å; L137-F163 WeakPolarHBondContact O-CE2 3.25Å
138	K	95.8	Very high	95	Very high	84 Å²	84	30 Å²	30	37%	0.365	16%	0.159	S	C	.	.			trans	-101.9	-37.9	-178.1	-50.9	-176.4	178.2	-87.3	0	112	T113 N136 D160 F163 I164	T113-K138 HydrophobicContact CG2-CD 4.28Å; T113-K138 HydrophobicContact CG2-CG 4.36Å; T113-K138 WeakPolarHBondContact O-CA 3.29Å; T113-K138 WeakPolarHBondContact O-CB 3.45Å; T113-K138 PolarHBondContact O-N 3.13Å; N136-K138 WeakPolarHBondContact O-CG 3.31Å; N136-K138 PolarHBondContact O-N 3.13Å; K138-D160 HydrophobicContact CG-CB 4.25Å; K138-D160 IonicContact NZ-OD2 2.83Å; K138-D160 PolarHBondContact NZ-OD2 3.34Å; K138-F163 CarbonylContact O-C 3.05Å; K138-F163 WeakPolarHBondContact O-CA 3.45Å; K138-I164 PolarHBondContact O-N 3.06Å
139	Y	97.9	Very high	95	Very high	35 Å²	35	30.3 Å²	30.3	14%	0.137	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	-177.6	176.5	-94.5	0	0	0	111.2	T113 I115 E116 L137 G141 I164 E166	T113-Y139 PolarHBondContact O-N 3.32Å; I115-Y139 PolarHBondContact N-O 2.97Å; E116-Y139 HydrophobicContact CB-CE1 4.16Å; E116-Y139 HydrophobicContact CG-CE1 4.2Å; L137-Y139 WeakPolarHBondContact CD1-O 3.49Å; Y139-G141 VanDerWaalsContact CE1-N 3.35Å; Y139-G141 WeakPolarHBondContact OH-CA 3.2Å; Y139-I164 WeakPolarHBondContact CA-O 3.28Å; Y139-I164 HydrophobicContact CD2-CB 4.02Å; Y139-I164 HydrophobicContact CD2-CG2 3.79Å; Y139-I164 HydrophobicContact CE2-CG2 4.12Å; Y139-E166 HydrophobicContact CE2-CB 4.02Å; Y139-E166 PolarHBondContact OH-OE2 2.95Å
140	L	97.9	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	105.1	166.9	178	58.2	0	0	0	109.6	I115 F131 L137 L153 I156 F163 I164 L165 E166	I115-L140 HydrophobicContact CB-CD1 3.94Å; I115-L140 HydrophobicContact CG2-CD1 3.98Å; I115-L140 WeakPolarHBondContact O-CA 3.41Å; F131-L140 HydrophobicContact CD1-CD1 4.39Å; F131-L140 HydrophobicContact CE1-CD1 3.86Å; F131-L140 HydrophobicContact CZ-CD1 4.05Å; L137-L140 HydrophobicContact CD2-CB 4.33Å; L140-L153 HydrophobicContact CD2-CD1 4.31Å; L140-L153 HydrophobicContact CD2-CD2 3.95Å; L140-I156 HydrophobicContact CD2-CD1 3.71Å; L140-F163 HydrophobicContact CB-CE1 4.14Å; L140-F163 HydrophobicContact CB-CZ 3.95Å; L140-I164 PolarHBondContact N-O 3.02Å; L140-L165 HydrophobicContact CB-CD1 4.12Å; L140-L165 HydrophobicContact CD2-CD1 4.01Å; L140-L165 HydrophobicContact CG-CD1 4.09Å; L140-E166 PolarHBondContact O-N 3.48Å
141	G	97.4	Very high	95	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.8	175	0	0	0	0	0	112.1	I115 E116 I117 Y139 E166	I115-G141 PolarHBondContact O-N 3.15Å; E116-G141 CarbonylContact C-O 3.6Å; E116-G141 WeakPolarHBondContact CA-O 3.49Å; I117-G141 PolarHBondContact N-O 3.31Å; Y139-G141 VanDerWaalsContact CE1-N 3.35Å; Y139-G141 WeakPolarHBondContact OH-CA 3.2Å; G141-E166 CarbonylContact C-O 3.05Å; G141-E166 WeakPolarHBondContact CA-O 3.39Å
142	I	96.2	Very high	94.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.9	166.1	-55.8	178.1	0	0	0	106.2	I117 F131 T145 L147 P151 E166 I167 V168 H170	I117-I142 CarbonylContact O-C 3.04Å; I117-I142 WeakPolarHBondContact O-CA 3.48Å; F131-I142 HydrophobicContact CE2-CD1 4.39Å; I142-T145 HydrophobicContact CG2-CG2 3.65Å; I142-L147 HydrophobicContact CG2-CD1 3.94Å; I142-P151 HydrophobicContact CD1-CG 4.32Å; I142-E166 PolarHBondContact N-O 2.9Å; I142-I167 VanDerWaalsContact O-CA 3.31Å; I142-I167 WeakPolarHBondContact O-CA 3.26Å; I142-V168 PolarHBondContact O-N 3.39Å; I142-H170 PolarHBondContact O-CE1 3Å; I142-H170 VanDerWaalsContact O-CE1 3.29Å
143	L	95.6	Very high	94.9	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.6	-169.3	-59.2	95.7	0	0	0	112.6	E116 I117 R118 N119 T145 E166 V168	E116-L143 HydrophobicContact CG-CD1 3.85Å; I117-L143 PolarHBondContact O-N 3.27Å; R118-L143 CarbonylContact C-O 3.52Å; R118-L143 VanDerWaalsContact CA-O 3.27Å; R118-L143 WeakPolarHBondContact CA-O 3.34Å; R118-L143 HydrophobicContact CB-CB 4.1Å; R118-L143 HydrophobicContact CB-CD1 4.39Å; R118-L143 HydrophobicContact CG-CB 3.98Å; N119-L143 PolarHBondContact N-O 3.33Å; L143-T145 PolarHBondContact O-N 3.39Å; L143-E166 HydrophobicContact CD2-CG 4.34Å; L143-V168 WeakPolarHBondContact CA-O 3.3Å; L143-V168 HydrophobicContact CD2-CB 4.18Å; L143-V168 HydrophobicContact CD2-CG1 4.27Å; L143-V168 HydrophobicContact CG-CB 4.27Å
144	N	93.6	Very high	94.8	Very high	47 Å²	47	27.9 Å²	27.9	25%	0.251	16%	0.161	S	C	.	.	S	Bend	trans	54.1	49.8	173.6	-178.3	31.6	0	0	0	112.5	N119 V168 N169	N119-N144 CarbonylContact C-O 3.56Å; N119-N144 WeakPolarHBondContact CA-O 3.42Å; N119-N144 PolarHBondContact OD1-ND2 3.15Å; N144-V168 PolarHBondContact N-O 3.34Å; N144-N169 HydrophobicContact CB-CB 4.31Å
145	T	94.4	Very high	94.8	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.049	18%	0.175	C	C	.	.			trans	-104.4	175.5	177.6	80.2	0	0	0	0	111.8	I117 T120 L123 I142 L143 L147 H170	I117-T145 HydrophobicContact CG2-CG2 4.48Å; T120-T145 VanDerWaalsContact OG1-CG2 3.29Å; T120-T145 WeakPolarHBondContact OG1-CG2 3.4Å; L123-T145 HydrophobicContact CD2-CG2 4.42Å; I142-T145 HydrophobicContact CG2-CG2 3.65Å; L143-T145 PolarHBondContact O-N 3.39Å; T145-L147 VanDerWaalsContact C-N 3.3Å; T145-L147 PolarHBondContact O-N 3.04Å; T145-L147 WeakPolarHBondContact OG1-CG 3.37Å; T145-L147 PolarHBondContact OG1-N 2.92Å; T145-H170 PolarHBondContact N-NE2 3.38Å; T145-H170 PolarHBondContact O-CD2 2.87Å; T145-H170 PolarHBondContact OG1-CD2 2.95Å; T145-H170 PolarHBondContact OG1-NE2 2.99Å
146	G	92.4	Very high	94.8	Very high	15 Å²	15	29.5 Å²	29.5	16%	0.155	17%	0.169	C	C	.	.			trans	-81.3	4.2	179.4	0	0	0	0	0	115.8	K121 L123 T148	K121-G146 WeakPolarHBondContact O-CA 3.41Å; L123-G146 CarbonylContact O-C 3.45Å; L123-G146 WeakPolarHBondContact O-CA 3.45Å; L123-G146 PolarHBondContact O-N 3.23Å; G146-T148 PolarHBondContact O-N 2.87Å
147	L	94.3	Very high	94.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.169	C	C	.	.			trans	-57.4	132.4	-171.6	-75.2	172.2	0	0	0	113.8	L123 V126 I142 T145 S172 I173	L123-L147 PolarHBondContact O-N 3.39Å; V126-L147 HydrophobicContact CG2-CD2 4.05Å; I142-L147 HydrophobicContact CG2-CD1 3.94Å; T145-L147 VanDerWaalsContact C-N 3.3Å; T145-L147 PolarHBondContact O-N 3.04Å; T145-L147 WeakPolarHBondContact OG1-CG 3.37Å; T145-L147 PolarHBondContact OG1-N 2.92Å; L147-S172 WeakPolarHBondContact O-CB 3.12Å; L147-I173 HydrophobicContact CB-CD1 3.96Å; L147-I173 HydrophobicContact CB-CG1 4.24Å; L147-I173 VanDerWaalsContact O-CG1 3.31Å; L147-I173 WeakPolarHBondContact O-CG1 3.42Å
148	T	92	Very high	94.7	Very high	84 Å²	84	30.2 Å²	30.2	52%	0.515	17%	0.17	S	C	.	.			trans	-102.5	-19.3	178.6	53.7	0	0	0	0	113.6	G146	G146-T148 PolarHBondContact O-N 2.87Å
149	S	94.1	Very high	94.6	Very high	72 Å²	72	31.3 Å²	31.3	50%	0.503	18%	0.179	S	C	.	.	S	Bend	trans	-127.6	157.3	177	60.3	0	0	0	0	111
150	F	94.9	Very high	94.4	Very high	22 Å²	22	31 Å²	31	10%	0.096	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-64.8	132.3	172.6	-161.8	-85.3	0	0	0	109.7	I167 I173 I176 F181 L193 F198	F150-I167 HydrophobicContact CE1-CD1 4.22Å; F150-I167 HydrophobicContact CE2-CD1 3.86Å; F150-I167 HydrophobicContact CZ-CD1 3.57Å; F150-I173 HydrophobicContact CB-CG2 4.27Å; F150-I176 HydrophobicContact CD2-CG1 4.38Å; F150-F181 HydrophobicContact CE1-CE1 4.3Å; F150-F181 HydrophobicContact CE1-CZ 4.44Å; F150-F181 HydrophobicContact CE2-CE1 4.42Å; F150-F181 HydrophobicContact CE2-CZ 4.19Å; F150-F181 HydrophobicContact CZ-CD1 4.49Å; F150-F181 AromaticContact CZ-CE1 3.57Å; F150-F181 HydrophobicContact CZ-CE1 3.57Å; F150-F181 AromaticContact CZ-CZ 3.66Å; F150-F181 HydrophobicContact CZ-CZ 3.66Å; F150-L193 HydrophobicContact CE2-CD2 4.14Å; F150-F198 HydrophobicContact CD2-CE1 4.19Å; F150-F198 HydrophobicContact CD2-CZ 4.26Å; F150-F198 HydrophobicContact CE2-CZ 4.35Å
151	P	94.3	Very high	94	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.045	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-72.4	144.5	-178.7	29.6	-34.7	0	0	0	111.6	V126 I142 L153 I167	V126-P151 HydrophobicContact CG1-CB 4.5Å; I142-P151 HydrophobicContact CD1-CG 4.32Å; P151-L153 HydrophobicContact CB-CD2 4.27Å; P151-L153 HydrophobicContact CG-CD1 4.42Å; P151-L153 HydrophobicContact CG-CD2 4.36Å; P151-L153 HydrophobicContact CG-CG 4.34Å; P151-I167 HydrophobicContact CG-CD1 3.99Å
152	A	93.8	Very high	93.7	Very high	40 Å²	40	41.3 Å²	41.3	33%	0.331	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-79.3	122.9	171.6	0	0	0	0	0	109.9	P128	P128-A152 HydrophobicContact CB-CB 4.03Å
153	L	94.5	Very high	93.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.232	C	C	.	.			trans	-123.1	6.3	-172.5	-60.3	179	0	0	0	113.1	F131 L140 P151 N155 I156 L165 I167 I184	F131-L153 HydrophobicContact CD2-CD2 3.85Å; F131-L153 HydrophobicContact CE2-CD2 4.3Å; L140-L153 HydrophobicContact CD2-CD1 4.31Å; L140-L153 HydrophobicContact CD2-CD2 3.95Å; P151-L153 HydrophobicContact CB-CD2 4.27Å; P151-L153 HydrophobicContact CG-CD1 4.42Å; P151-L153 HydrophobicContact CG-CD2 4.36Å; P151-L153 HydrophobicContact CG-CG 4.34Å; L153-N155 PolarHBondContact O-N 3.35Å; L153-I156 HydrophobicContact CB-CD1 3.98Å; L153-I156 HydrophobicContact CD2-CD1 4.27Å; L153-I156 WeakPolarHBondContact O-CG1 3.28Å; L153-I156 PolarHBondContact O-N 3.4Å; L153-L165 HydrophobicContact CD1-CD1 3.65Å; L153-L165 HydrophobicContact CD1-CD2 3.93Å; L153-L165 HydrophobicContact CD1-CG 4.46Å; L153-I167 HydrophobicContact CD1-CD1 4.23Å; L153-I184 HydrophobicContact CB-CD1 3.78Å; L153-I184 HydrophobicContact CB-CG1 3.87Å; L153-I184 HydrophobicContact CD1-CD1 4Å
154	N	91.9	Very high	93.8	Very high	53 Å²	53	43.5 Å²	43.5	28%	0.283	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.4	-165.8	-55.4	69.6	0	0	0	115.1	H157 N179 Q182	N154-H157 PolarHBondContact O-CE1 3.32Å; N154-N179 PolarHBondContact ND2-O 3.07Å; N154-Q182 VanDerWaalsContact CA-O 3.25Å; N154-Q182 WeakPolarHBondContact CA-O 3.32Å; N154-Q182 VanDerWaalsContact CB-O 3.27Å; N154-Q182 WeakPolarHBondContact CB-O 3.35Å; N154-Q182 PolarHBondContact ND2-O 3.32Å
155	N	93.6	Very high	94	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.283	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.5	-173.5	-62.6	-55.2	0	0	0	114	P128 K132 H133 L153	P128-N155 PolarHBondContact O-ND2 3.06Å; P128-N155 VanDerWaalsContact O-ND2 3.12Å; K132-N155 WeakPolarHBondContact CA-O 3.29Å; K132-N155 HydrophobicContact CB-CB 4.37Å; K132-N155 HydrophobicContact CG-CB 4.2Å; H133-N155 PolarHBondContact N-O 2.66Å; L153-N155 PolarHBondContact O-N 3.35Å
156	I	94.4	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.			trans	-65.6	-52.3	-176.6	-70.8	172.4	0	0	0	111	F131 H133 L134 L137 L140 L153 F163 I184	F131-I156 HydrophobicContact CB-CD1 4.3Å; F131-I156 HydrophobicContact CB-CG1 3.88Å; H133-I156 WeakPolarHBondContact CA-O 3.22Å; H133-I156 PolarHBondContact N-O 3.31Å; L134-I156 HydrophobicContact CB-CG2 4.35Å; L134-I156 PolarHBondContact N-O 3.01Å; L137-I156 HydrophobicContact CD2-CG2 4Å; L140-I156 HydrophobicContact CD2-CD1 3.71Å; L153-I156 HydrophobicContact CB-CD1 3.98Å; L153-I156 HydrophobicContact CD2-CD1 4.27Å; L153-I156 WeakPolarHBondContact O-CG1 3.28Å; L153-I156 PolarHBondContact O-N 3.4Å; I156-F163 HydrophobicContact CG2-CE2 4.09Å; I156-F163 HydrophobicContact CG2-CZ 4.46Å; I156-I184 HydrophobicContact CD1-CG2 4.37Å; I156-I184 WeakPolarHBondContact CG2-O 3.46Å
157	H	93.9	Very high	94.3	Very high	95 Å²	95	41.3 Å²	41.3	44%	0.44	23%	0.228	S	C	.	.			trans	50.3	58.5	-179.4	-52	-36.2	0	0	0	113.3	N154 G183 I184	N154-H157 PolarHBondContact O-CE1 3.32Å; H157-G183 WeakPolarHBondContact CA-O 3.15Å; H157-G183 PolarHBondContact N-O 3.06Å; H157-G183 VanDerWaalsContact N-O 3.07Å; H157-G183 PolarHBondContact ND1-O 3.4Å; H157-I184 PolarHBondContact N-O 3.43Å
158	S	95.2	Very high	94.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-76.8	146.8	170.2	-171.1	0	0	0	0	111.4	L137 D160 I184 T185 S186	L137-S158 PolarHBondContact N-OG 2.81Å; L137-S158 WeakPolarHBondContact O-CB 3.45Å; L137-S158 PolarHBondContact O-OG 3.44Å; S158-D160 PolarHBondContact OG-N 3.27Å; S158-I184 PolarHBondContact N-O 2.95Å; S158-T185 VanDerWaalsContact O-CA 3.29Å; S158-T185 WeakPolarHBondContact O-CA 3.35Å; S158-T185 PolarHBondContact O-OG1 3.5Å; S158-S186 PolarHBondContact O-N 3.48Å
159	N	93.8	Very high	94.4	Very high	106 Å²	106	41.1 Å²	41.1	57%	0.567	22%	0.224	S	C	*	.			trans	-108.6	7.8	173.8	-59.7	-22.3	0	0	0	111.7	P135	P135-N159 PolarHBondContact O-N 2.94Å
160	D	93.5	Very high	94.3	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.15	20%	0.2	C	C	.	.			trans	-70.5	135.9	176.2	-164.5	-87.6	0	0	0	111.4	K138 S158 N162	K138-D160 HydrophobicContact CG-CB 4.25Å; K138-D160 IonicContact NZ-OD2 2.83Å; K138-D160 PolarHBondContact NZ-OD2 3.34Å; S158-D160 PolarHBondContact OG-N 3.27Å; D160-N162 PolarHBondContact O-N 2.91Å; D160-N162 PolarHBondContact OD1-N 3.47Å; D160-N162 VanDerWaalsContact OD1-N 3.08Å
161	M	90.2	Very high	94	Very high	108 Å²	108	41.4 Å²	41.4	53%	0.532	23%	0.226	S	C	.	.	S	Bend	trans	-57.1	-34.6	-175.2	-64.7	-58.5	-57.1	0	0	113.7	E187 F188	M161-E187 HydrophobicContact CE-CG 4.44Å; M161-E187 HydrophobicContact SD-CG 4Å; M161-F188 WeakPolarHBondContact O-CB 3.42Å; M161-F188 PolarHBondContact O-N 2.95Å
162	N	90.3	Very high	93.9	Very high	109 Å²	109	44 Å²	44	58%	0.583	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131	76.3	-172	-70.5	-21.8	0	0	0	110.5	D160	D160-N162 PolarHBondContact O-N 2.91Å; D160-N162 PolarHBondContact OD1-N 3.47Å; D160-N162 VanDerWaalsContact OD1-N 3.08Å
163	F	96.3	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.8	177.1	-165.1	-73.6	0	0	0	111	L137 K138 L140 I156 L165 I184 T185 F188 L189 T190	L137-F163 HydrophobicContact CB-CE2 4.04Å; L137-F163 HydrophobicContact CD2-CE2 3.91Å; L137-F163 HydrophobicContact CD2-CZ 3.89Å; L137-F163 HydrophobicContact CG-CE2 3.85Å; L137-F163 HydrophobicContact CG-CZ 4.13Å; L137-F163 WeakPolarHBondContact O-CD2 3.11Å; L137-F163 VanDerWaalsContact O-CE2 3.27Å; L137-F163 WeakPolarHBondContact O-CE2 3.25Å; K138-F163 CarbonylContact O-C 3.05Å; K138-F163 WeakPolarHBondContact O-CA 3.45Å; L140-F163 HydrophobicContact CB-CE1 4.14Å; L140-F163 HydrophobicContact CB-CZ 3.95Å; I156-F163 HydrophobicContact CG2-CE2 4.09Å; I156-F163 HydrophobicContact CG2-CZ 4.46Å; F163-L165 HydrophobicContact CD1-CB 4.33Å; F163-L165 HydrophobicContact CE1-CB 4.05Å; F163-I184 HydrophobicContact CD1-CG2 3.85Å; F163-I184 HydrophobicContact CD2-CG2 4.22Å; F163-I184 HydrophobicContact CE1-CG2 3.62Å; F163-I184 HydrophobicContact CE2-CG2 3.99Å; F163-I184 HydrophobicContact CG-CG2 4.16Å; F163-I184 HydrophobicContact CZ-CG2 3.69Å; F163-T185 HydrophobicContact CB-CG2 3.77Å; F163-T185 HydrophobicContact CG-CG2 4.35Å; F163-F188 PolarHBondContact N-O 3.46Å; F163-L189 HydrophobicContact CB-CD1 3.99Å; F163-L189 HydrophobicContact CD1-CD1 3.47Å; F163-L189 VanDerWaalsContact CD1-CD1 3.47Å; F163-L189 HydrophobicContact CE1-CD1 4.35Å; F163-L189 HydrophobicContact CG-CD1 4.04Å; F163-T190 PolarHBondContact O-N 3.45Å
164	I	97.7	Very high	93.9	Very high	62 Å²	62	45.4 Å²	45.4	32%	0.318	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.3	173.1	-58.1	176.4	0	0	0	109.2	K138 Y139 L140 T190	K138-I164 PolarHBondContact O-N 3.06Å; Y139-I164 WeakPolarHBondContact CA-O 3.28Å; Y139-I164 HydrophobicContact CD2-CB 4.02Å; Y139-I164 HydrophobicContact CD2-CG2 3.79Å; Y139-I164 HydrophobicContact CE2-CG2 4.12Å; L140-I164 PolarHBondContact N-O 3.02Å; I164-T190 HydrophobicContact CG1-CG2 4.44Å; I164-T190 HydrophobicContact CG2-CG2 4.45Å
165	L	97.8	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.8	169.9	178.4	66.9	0	0	0	109.3	L140 L153 F163 I167 F181 I184 L189 T190 M192	L140-L165 HydrophobicContact CB-CD1 4.12Å; L140-L165 HydrophobicContact CD2-CD1 4.01Å; L140-L165 HydrophobicContact CG-CD1 4.09Å; L153-L165 HydrophobicContact CD1-CD1 3.65Å; L153-L165 HydrophobicContact CD1-CD2 3.93Å; L153-L165 HydrophobicContact CD1-CG 4.46Å; F163-L165 HydrophobicContact CD1-CB 4.33Å; F163-L165 HydrophobicContact CE1-CB 4.05Å; L165-I167 HydrophobicContact CD1-CD1 4.15Å; L165-I167 HydrophobicContact CD1-CG1 4.13Å; L165-I167 HydrophobicContact CD2-CD1 4.16Å; L165-I167 HydrophobicContact CG-CD1 4.24Å; L165-I167 HydrophobicContact CG-CG1 4.25Å; L165-F181 HydrophobicContact CD2-CD1 3.67Å; L165-F181 HydrophobicContact CD2-CE1 3.66Å; L165-I184 HydrophobicContact CD2-CD1 3.9Å; L165-L189 HydrophobicContact CB-CD1 4.25Å; L165-T190 PolarHBondContact N-O 3.39Å; L165-M192 PolarHBondContact O-N 3.3Å
166	E	97.8	Very high	94.2	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.9	176.6	-172.2	170.6	-155.7	0	0	110.4	Y139 L140 G141 I142 L143 V168 M192 Y194	Y139-E166 HydrophobicContact CE2-CB 4.02Å; Y139-E166 PolarHBondContact OH-OE2 2.95Å; L140-E166 PolarHBondContact O-N 3.48Å; G141-E166 CarbonylContact C-O 3.05Å; G141-E166 WeakPolarHBondContact CA-O 3.39Å; I142-E166 PolarHBondContact N-O 2.9Å; L143-E166 HydrophobicContact CD2-CG 4.34Å; E166-V168 HydrophobicContact CG-CB 4.2Å; E166-V168 HydrophobicContact CG-CG2 3.46Å; E166-V168 VanDerWaalsContact CG-CG2 3.46Å; E166-M192 WeakPolarHBondContact CA-O 3.45Å; E166-M192 HydrophobicContact CB-CB 4.16Å; E166-M192 HydrophobicContact CG-CB 3.97Å; E166-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E166-Y194 PolarHBondContact OE1-OH 3.34Å
167	I	96.3	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.4	174.3	-58.8	171.4	0	0	0	107.7	I142 F150 P151 L153 L165 M192 L193 N196	I142-I167 VanDerWaalsContact O-CA 3.31Å; I142-I167 WeakPolarHBondContact O-CA 3.26Å; F150-I167 HydrophobicContact CE1-CD1 4.22Å; F150-I167 HydrophobicContact CE2-CD1 3.86Å; F150-I167 HydrophobicContact CZ-CD1 3.57Å; P151-I167 HydrophobicContact CG-CD1 3.99Å; L153-I167 HydrophobicContact CD1-CD1 4.23Å; L165-I167 HydrophobicContact CD1-CD1 4.15Å; L165-I167 HydrophobicContact CD1-CG1 4.13Å; L165-I167 HydrophobicContact CD2-CD1 4.16Å; L165-I167 HydrophobicContact CG-CD1 4.24Å; L165-I167 HydrophobicContact CG-CG1 4.25Å; I167-M192 PolarHBondContact N-O 2.99Å; I167-L193 HydrophobicContact CB-CD2 3.9Å; I167-L193 HydrophobicContact CD1-CD2 4.49Å; I167-L193 WeakPolarHBondContact O-CA 3.43Å; I167-N196 PolarHBondContact O-ND2 3.04Å
168	V	95.3	Very high	94.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.3	-160.3	162.4	0	0	0	0	113	I142 L143 N144 E166 H170 Y194	I142-V168 PolarHBondContact O-N 3.39Å; L143-V168 WeakPolarHBondContact CA-O 3.3Å; L143-V168 HydrophobicContact CD2-CB 4.18Å; L143-V168 HydrophobicContact CD2-CG1 4.27Å; L143-V168 HydrophobicContact CG-CB 4.27Å; N144-V168 PolarHBondContact N-O 3.34Å; E166-V168 HydrophobicContact CG-CB 4.2Å; E166-V168 HydrophobicContact CG-CG2 3.46Å; E166-V168 VanDerWaalsContact CG-CG2 3.46Å; V168-H170 PolarHBondContact O-CE1 3.3Å; V168-H170 PolarHBondContact O-ND1 3.23Å; V168-Y194 HydrophobicContact CB-CE2 4.34Å; V168-Y194 HydrophobicContact CG1-CD2 3.92Å; V168-Y194 HydrophobicContact CG1-CE1 4.46Å; V168-Y194 HydrophobicContact CG1-CE2 3.42Å; V168-Y194 VanDerWaalsContact CG1-CE2 3.42Å; V168-Y194 HydrophobicContact CG2-CD1 3.7Å; V168-Y194 HydrophobicContact CG2-CD2 4.1Å; V168-Y194 HydrophobicContact CG2-CE1 3.43Å; V168-Y194 VanDerWaalsContact CG2-CE1 3.43Å; V168-Y194 HydrophobicContact CG2-CE2 3.89Å; V168-Y194 HydrophobicContact CG2-CG 4Å
169	N	92.5	Very high	94.4	Very high	81 Å²	81	45.9 Å²	45.9	43%	0.433	26%	0.26	S	S	.	.			trans	59.9	38.8	177.1	-62	-40.5	0	0	0	115.7	N144 P171 Y194 G195 N196	N144-N169 HydrophobicContact CB-CB 4.31Å; N169-P171 VanDerWaalsContact O-CD 3.27Å; N169-P171 WeakPolarHBondContact O-CD 3.44Å; N169-Y194 PolarHBondContact N-O 3.26Å; N169-G195 WeakPolarHBondContact CA-O 3.45Å; N169-N196 PolarHBondContact N-OD1 3.06Å
170	H	91.6	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.			trans	-99.3	97.8	172	-58	90.5	0	0	0	111.4	I142 T145 V168 S172 I173 N196 G197	I142-H170 PolarHBondContact O-CE1 3Å; I142-H170 VanDerWaalsContact O-CE1 3.29Å; T145-H170 PolarHBondContact N-NE2 3.38Å; T145-H170 PolarHBondContact O-CD2 2.87Å; T145-H170 PolarHBondContact OG1-CD2 2.95Å; T145-H170 PolarHBondContact OG1-NE2 2.99Å; V168-H170 PolarHBondContact O-CE1 3.3Å; V168-H170 PolarHBondContact O-ND1 3.23Å; H170-S172 PolarHBondContact O-N 2.91Å; H170-I173 HydrophobicContact CB-CB 4.46Å; H170-I173 HydrophobicContact CB-CD1 3.66Å; H170-I173 HydrophobicContact CB-CG1 3.81Å; H170-N196 WeakPolarHBondContact CB-OD1 3.43Å; H170-N196 PolarHBondContact N-OD1 3Å; H170-N196 PolarHBondContact ND1-OD1 3.47Å; H170-N196 VanDerWaalsContact ND1-OD1 3.13Å; H170-N196 CarbonylContact O-C 3.19Å; H170-N196 WeakPolarHBondContact O-CA 3.29Å; H170-G197 PolarHBondContact O-N 3.45Å
171	P	88.6	Confident	94.6	Very high	101 Å²	101	39.9 Å²	39.9	66%	0.656	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-16	-177.6	29.5	-36.6	0	0	0	113.7	N169	N169-P171 VanDerWaalsContact O-CD 3.27Å; N169-P171 WeakPolarHBondContact O-CD 3.44Å
172	S	92.5	Very high	94.8	Very high	61 Å²	61	38.9 Å²	38.9	43%	0.427	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-17.2	-173.2	-57.9	0	0	0	0	114.7	L147 H170 T174	L147-S172 WeakPolarHBondContact O-CB 3.12Å; H170-S172 PolarHBondContact O-N 2.91Å; S172-T174 PolarHBondContact O-N 3.11Å
173	I	94.3	Very high	94.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.207	C	C	.	.			trans	-79.5	113.5	177.9	-52.1	175.7	0	0	0	109	L147 F150 H170 G197 F198	L147-I173 HydrophobicContact CB-CD1 3.96Å; L147-I173 HydrophobicContact CB-CG1 4.24Å; L147-I173 VanDerWaalsContact O-CG1 3.31Å; L147-I173 WeakPolarHBondContact O-CG1 3.42Å; F150-I173 HydrophobicContact CB-CG2 4.27Å; H170-I173 HydrophobicContact CB-CB 4.46Å; H170-I173 HydrophobicContact CB-CD1 3.66Å; H170-I173 HydrophobicContact CB-CG1 3.81Å; I173-G197 CarbonylContact O-C 3.43Å; I173-G197 WeakPolarHBondContact O-CA 3.32Å; I173-F198 HydrophobicContact CB-CE1 4.18Å; I173-F198 HydrophobicContact CG2-CD1 4.15Å; I173-F198 HydrophobicContact CG2-CE1 3.61Å; I173-F198 PolarHBondContact O-N 3.17Å; I173-F198 VanDerWaalsContact O-N 3.15Å
174	T	93.4	Very high	94.8	Very high	70 Å²	70	34.9 Å²	34.9	43%	0.429	21%	0.207	S	C	.	.			trans	-96.1	-17.1	-169.7	53.4	0	0	0	0	115.4	S172 R199	S172-T174 PolarHBondContact O-N 3.11Å; T174-R199 WeakPolarHBondContact O-CB 3.39Å; T174-R199 PolarHBondContact O-N 3.42Å
175	E	95.8	Very high	94.6	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.3	179.7	65.3	175.1	-178	0	0	113.4	E200 R202	E175-E200 VanDerWaalsContact CA-O 3.28Å; E175-E200 WeakPolarHBondContact CA-O 3.49Å; E175-E200 WeakPolarHBondContact CB-O 3.21Å; E175-R202 IonicContact OE2-CZ 3.94Å; E175-R202 IonicContact OE2-NE 3.27Å; E175-R202 PolarHBondContact OE2-NE 2.97Å; E175-R202 IonicContact OE2-NH2 3.66Å; E175-R202 PolarHBondContact OE2-NH2 2.95Å
176	I	97	Very high	94.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110	166.8	-55.2	-176.1	0	0	0	108.3	F150 F181 L193 F198 E200 I201 R202 A205 L216	F150-I176 HydrophobicContact CD2-CG1 4.38Å; I176-F181 HydrophobicContact CG2-CE2 3.88Å; I176-F181 HydrophobicContact CG2-CZ 4.12Å; I176-L193 HydrophobicContact CD1-CD1 3.7Å; I176-F198 HydrophobicContact CD1-CD1 4.44Å; I176-F198 HydrophobicContact CD1-CD2 4.27Å; I176-F198 HydrophobicContact CD1-CE1 4.16Å; I176-F198 HydrophobicContact CD1-CE2 4.01Å; I176-F198 HydrophobicContact CD1-CZ 3.95Å; I176-F198 HydrophobicContact CG1-CD1 3.77Å; I176-F198 HydrophobicContact CG1-CD2 4.46Å; I176-F198 HydrophobicContact CG1-CE1 3.54Å; I176-F198 HydrophobicContact CG1-CE2 4.29Å; I176-F198 HydrophobicContact CG1-CG 4.24Å; I176-F198 HydrophobicContact CG1-CZ 3.84Å; I176-E200 PolarHBondContact N-O 2.86Å; I176-I201 HydrophobicContact CB-CG1 4.35Å; I176-I201 HydrophobicContact CB-CG2 4.38Å; I176-I201 HydrophobicContact CD1-CD1 4.22Å; I176-I201 HydrophobicContact CD1-CG1 4Å; I176-I201 HydrophobicContact CG1-CG1 4.25Å; I176-R202 WeakPolarHBondContact O-CB 3.5Å; I176-R202 WeakPolarHBondContact O-CG 3.07Å; I176-R202 PolarHBondContact O-N 3.46Å; I176-R202 VanDerWaalsContact O-N 3.1Å; I176-A205 HydrophobicContact CG2-CB 4.13Å; I176-L216 HydrophobicContact CD1-CD2 4.3Å
177	P	96.8	Very high	94	Very high	49 Å²	49	36.4 Å²	36.4	32%	0.318	22%	0.221	S	C	.	.			trans	-62.3	165.6	177.2	-25.1	34.9	0	0	0	114.9	S180	P177-S180 VanDerWaalsContact C-OG 3.3Å; P177-S180 WeakPolarHBondContact CD-OG 3.39Å; P177-S180 PolarHBondContact O-OG 2.89Å
178	A	96.2	Very high	93.9	Very high	36 Å²	36	40.1 Å²	40.1	30%	0.298	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	145.2	170	0	0	0	0	0	111.3	S180 H203	A178-S180 PolarHBondContact O-N 2.67Å; A178-H203 VanDerWaalsContact CB-O 3.29Å; A178-H203 WeakPolarHBondContact CB-O 3.43Å
179	N	95.7	Very high	93.9	Very high	56 Å²	56	40.1 Å²	40.1	30%	0.299	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	20.5	179.2	-42.1	-64.2	0	0	0	115.7	N154 F181 Q182 H204 N207	N154-N179 PolarHBondContact ND2-O 3.07Å; N179-F181 PolarHBondContact O-N 3.24Å; N179-F181 VanDerWaalsContact O-N 3.08Å; N179-Q182 HydrophobicContact CB-CB 4.14Å; N179-Q182 WeakPolarHBondContact O-CB 3.27Å; N179-Q182 PolarHBondContact O-N 2.86Å; N179-Q182 VanDerWaalsContact O-N 3.11Å; N179-H204 PolarHBondContact N-O 2.92Å; N179-N207 WeakPolarHBondContact OD1-CB 3.24Å; N179-N207 PolarHBondContact OD1-ND2 3.14Å
180	S	95.7	Very high	94.2	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.4	-174	-65.7	0	0	0	0	114.8	P177 A178 A205	P177-S180 VanDerWaalsContact C-OG 3.3Å; P177-S180 WeakPolarHBondContact CD-OG 3.39Å; P177-S180 PolarHBondContact O-OG 2.89Å; A178-S180 PolarHBondContact O-N 2.67Å; S180-A205 PolarHBondContact N-O 3.11Å
181	F	95.8	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-1	-179	-51	-80.7	0	0	0	113.5	F150 L165 I176 N179 G183 I184 L189 V191 L193 A205 F206 T209	F150-F181 HydrophobicContact CE1-CE1 4.3Å; F150-F181 HydrophobicContact CE1-CZ 4.44Å; F150-F181 HydrophobicContact CE2-CE1 4.42Å; F150-F181 HydrophobicContact CE2-CZ 4.19Å; F150-F181 HydrophobicContact CZ-CD1 4.49Å; F150-F181 AromaticContact CZ-CE1 3.57Å; F150-F181 HydrophobicContact CZ-CE1 3.57Å; F150-F181 AromaticContact CZ-CZ 3.66Å; F150-F181 HydrophobicContact CZ-CZ 3.66Å; L165-F181 HydrophobicContact CD2-CD1 3.67Å; L165-F181 HydrophobicContact CD2-CE1 3.66Å; I176-F181 HydrophobicContact CG2-CE2 3.88Å; I176-F181 HydrophobicContact CG2-CZ 4.12Å; N179-F181 PolarHBondContact O-N 3.24Å; N179-F181 VanDerWaalsContact O-N 3.08Å; F181-G183 PolarHBondContact O-N 3.38Å; F181-I184 HydrophobicContact CB-CD1 4.19Å; F181-I184 HydrophobicContact CD1-CD1 4.13Å; F181-I184 WeakPolarHBondContact O-CG1 3.31Å; F181-I184 PolarHBondContact O-N 3.4Å; F181-L189 HydrophobicContact CB-CD2 3.91Å; F181-L189 HydrophobicContact CD1-CD2 4.38Å; F181-L189 HydrophobicContact CG-CD2 4.42Å; F181-V191 HydrophobicContact CD1-CG1 4.38Å; F181-V191 HydrophobicContact CD1-CG2 4.47Å; F181-V191 HydrophobicContact CE1-CG1 3.75Å; F181-V191 HydrophobicContact CZ-CG1 4.04Å; F181-L193 HydrophobicContact CE1-CD1 4.39Å; F181-L193 HydrophobicContact CZ-CD1 3.84Å; F181-A205 WeakPolarHBondContact CD2-O 3.27Å; F181-F206 AromaticContact CD2-CD1 3.42Å; F181-F206 HydrophobicContact CD2-CD1 3.42Å; F181-F206 VanDerWaalsContact CD2-CD1 3.42Å; F181-F206 AromaticContact CD2-CE1 3.78Å; F181-F206 HydrophobicContact CD2-CE1 3.78Å; F181-F206 HydrophobicContact CD2-CG 4.12Å; F181-F206 AromaticContact CE2-CD1 3.54Å; F181-F206 HydrophobicContact CE2-CD1 3.54Å; F181-F206 AromaticContact CE2-CE1 3.38Å; F181-F206 HydrophobicContact CE2-CE1 3.38Å; F181-F206 HydrophobicContact CE2-CG 4.31Å; F181-F206 HydrophobicContact CE2-CZ 4.02Å; F181-F206 HydrophobicContact CG-CD1 4.23Å; F181-F206 HydrophobicContact CZ-CD1 4.41Å; F181-F206 AromaticContact CZ-CE1 3.92Å; F181-F206 HydrophobicContact CZ-CE1 3.92Å; F181-T209 HydrophobicContact CB-CG2 3.81Å; F181-T209 WeakPolarHBondContact O-CG2 3.37Å
182	Q	94.2	Very high	94.9	Very high	87 Å²	87	34.9 Å²	34.9	41%	0.407	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	121.7	-175	-171.3	-176.3	8.4	0	0	110.8	N154 N179	N154-Q182 VanDerWaalsContact CA-O 3.25Å; N154-Q182 WeakPolarHBondContact CA-O 3.32Å; N154-Q182 VanDerWaalsContact CB-O 3.27Å; N154-Q182 WeakPolarHBondContact CB-O 3.35Å; N154-Q182 PolarHBondContact ND2-O 3.32Å; N179-Q182 HydrophobicContact CB-CB 4.14Å; N179-Q182 WeakPolarHBondContact O-CB 3.27Å; N179-Q182 PolarHBondContact O-N 2.86Å; N179-Q182 VanDerWaalsContact O-N 3.11Å
183	G	90.5	Very high	95.1	Very high	24 Å²	24	32 Å²	32	25%	0.247	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	1	177.6	0	0	0	0	0	115.7	H157 F181	H157-G183 WeakPolarHBondContact CA-O 3.15Å; H157-G183 PolarHBondContact N-O 3.06Å; H157-G183 VanDerWaalsContact N-O 3.07Å; H157-G183 PolarHBondContact ND1-O 3.4Å; F181-G183 PolarHBondContact O-N 3.38Å
184	I	94.8	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-65.2	-51.2	176.1	-64.5	-179.2	0	0	0	111.4	L153 I156 H157 S158 F163 L165 F181 L189	L153-I184 HydrophobicContact CB-CD1 3.78Å; L153-I184 HydrophobicContact CB-CG1 3.87Å; L153-I184 HydrophobicContact CD1-CD1 4Å; I156-I184 HydrophobicContact CD1-CG2 4.37Å; I156-I184 WeakPolarHBondContact CG2-O 3.46Å; H157-I184 PolarHBondContact N-O 3.43Å; S158-I184 PolarHBondContact N-O 2.95Å; F163-I184 HydrophobicContact CD1-CG2 3.85Å; F163-I184 HydrophobicContact CD2-CG2 4.22Å; F163-I184 HydrophobicContact CE1-CG2 3.62Å; F163-I184 HydrophobicContact CE2-CG2 3.99Å; F163-I184 HydrophobicContact CG-CG2 4.16Å; F163-I184 HydrophobicContact CZ-CG2 3.69Å; L165-I184 HydrophobicContact CD2-CD1 3.9Å; F181-I184 HydrophobicContact CB-CD1 4.19Å; F181-I184 HydrophobicContact CD1-CD1 4.13Å; F181-I184 WeakPolarHBondContact O-CG1 3.31Å; F181-I184 PolarHBondContact O-N 3.4Å; I184-L189 HydrophobicContact CG2-CD1 4.18Å
185	T	94.3	Very high	95.2	Very high	14 Å²	14	32.1 Å²	32.1	9%	0.086	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-143	157.4	176.3	178	0	0	0	0	110.2	S158 F163 E187 L189	S158-T185 VanDerWaalsContact O-CA 3.29Å; S158-T185 WeakPolarHBondContact O-CA 3.35Å; S158-T185 PolarHBondContact O-OG1 3.5Å; F163-T185 HydrophobicContact CB-CG2 3.77Å; F163-T185 HydrophobicContact CG-CG2 4.35Å; T185-E187 WeakPolarHBondContact CG2-O 2.95Å; T185-E187 PolarHBondContact OG1-N 3.5Å; T185-L189 HydrophobicContact CG2-CB 3.96Å; T185-L189 HydrophobicContact CG2-CD1 4.21Å
186	S	90	Very high	95.2	Very high	64 Å²	64	29 Å²	29	45%	0.448	17%	0.168	S	C	.	.	S	Bend	trans	-84.2	-18.9	165.8	69.9	0	0	0	0	113.2	S158 K210	S158-S186 PolarHBondContact O-N 3.48Å; S186-K210 VanDerWaalsContact O-CD 3.3Å; S186-K210 WeakPolarHBondContact O-CD 3.07Å; S186-K210 WeakPolarHBondContact O-CE 3.45Å; S186-K210 PolarHBondContact O-NZ 3.08Å
187	E	93.4	Very high	95.1	Very high	41 Å²	41	29.1 Å²	29.1	19%	0.192	17%	0.17	C	C	.	.	S	Bend	trans	-104	-160	-173.9	-58.7	-44.2	114.9	0	0	112.4	M161 T185 L189 K210	M161-E187 HydrophobicContact CE-CG 4.44Å; M161-E187 HydrophobicContact SD-CG 4Å; T185-E187 WeakPolarHBondContact CG2-O 2.95Å; T185-E187 PolarHBondContact OG1-N 3.5Å; E187-L189 PolarHBondContact O-N 2.91Å; E187-K210 IonicContact OE1-NZ 3.67Å; E187-K210 PolarHBondContact OE1-NZ 3.05Å; E187-K210 IonicContact OE2-NZ 3.49Å; E187-K210 PolarHBondContact OE2-NZ 3.25Å
188	F	93.9	Very high	95.1	Very high	78 Å²	78	26.8 Å²	26.8	34%	0.342	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.4	-171.9	-69.3	-88.1	0	0	0	111.3	M161 F163 K210 D212	M161-F188 WeakPolarHBondContact O-CB 3.42Å; M161-F188 PolarHBondContact O-N 2.95Å; F163-F188 PolarHBondContact N-O 3.46Å; F188-K210 HydrophobicContact CD1-CB 4.19Å; F188-K210 HydrophobicContact CE1-CB 4.5Å; F188-D212 HydrophobicContact CD1-CB 4.41Å
189	L	96	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122	179.7	-177.8	64.8	0	0	0	110.1	F163 L165 F181 I184 T185 E187 V191 T209 K210 L211 D212	F163-L189 HydrophobicContact CB-CD1 3.99Å; F163-L189 HydrophobicContact CD1-CD1 3.47Å; F163-L189 VanDerWaalsContact CD1-CD1 3.47Å; F163-L189 HydrophobicContact CE1-CD1 4.35Å; F163-L189 HydrophobicContact CG-CD1 4.04Å; L165-L189 HydrophobicContact CB-CD1 4.25Å; F181-L189 HydrophobicContact CB-CD2 3.91Å; F181-L189 HydrophobicContact CD1-CD2 4.38Å; F181-L189 HydrophobicContact CG-CD2 4.42Å; I184-L189 HydrophobicContact CG2-CD1 4.18Å; T185-L189 HydrophobicContact CG2-CB 3.96Å; T185-L189 HydrophobicContact CG2-CD1 4.21Å; E187-L189 PolarHBondContact O-N 2.91Å; L189-V191 HydrophobicContact CD1-CG2 4.43Å; L189-V191 HydrophobicContact CD2-CG2 3.73Å; L189-V191 HydrophobicContact CG-CG2 3.58Å; L189-T209 HydrophobicContact CD2-CG2 4.09Å; L189-K210 WeakPolarHBondContact CB-O 3.41Å; L189-K210 PolarHBondContact N-O 3.45Å; L189-L211 HydrophobicContact CD2-CD2 4.48Å; L189-D212 PolarHBondContact O-N 3.44Å
190	T	97.6	Very high	95.1	Very high	24 Å²	24	31.6 Å²	31.6	15%	0.147	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.2	167.5	-78.9	0	0	0	0	109.2	F163 I164 L165 M192 Q213	F163-T190 PolarHBondContact O-N 3.45Å; I164-T190 HydrophobicContact CG1-CG2 4.44Å; I164-T190 HydrophobicContact CG2-CG2 4.45Å; L165-T190 PolarHBondContact N-O 3.39Å; T190-M192 HydrophobicContact CG2-CE 4.43Å; T190-M192 HydrophobicContact CG2-CG 4.48Å; T190-Q213 WeakPolarHBondContact CA-O 3.45Å; T190-Q213 HydrophobicContact CG2-CB 4.06Å; T190-Q213 HydrophobicContact CG2-CG 4.47Å
191	V	97.3	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	98.3	-165.6	-178.8	0	0	0	0	109.8	F181 L189 L193 F206 L211 Q213 V214 D215	F181-V191 HydrophobicContact CD1-CG1 4.38Å; F181-V191 HydrophobicContact CD1-CG2 4.47Å; F181-V191 HydrophobicContact CE1-CG1 3.75Å; F181-V191 HydrophobicContact CZ-CG1 4.04Å; L189-V191 HydrophobicContact CD1-CG2 4.43Å; L189-V191 HydrophobicContact CD2-CG2 3.73Å; L189-V191 HydrophobicContact CG-CG2 3.58Å; V191-L193 HydrophobicContact CG1-CD1 3.34Å; V191-L193 HydrophobicContact CG1-CD2 4.21Å; V191-L193 HydrophobicContact CG1-CG 3.49Å; V191-L193 VanDerWaalsContact CG1-CG 3.49Å; V191-F206 HydrophobicContact CG1-CE1 4.15Å; V191-L211 HydrophobicContact CG2-CD2 4.04Å; V191-Q213 PolarHBondContact N-O 3.13Å; V191-V214 HydrophobicContact CB-CG2 4.34Å; V191-V214 WeakPolarHBondContact O-CA 3.4Å; V191-D215 PolarHBondContact O-N 2.87Å
192	M	97.9	Very high	95.3	Very high	49 Å²	49	35.8 Å²	35.8	24%	0.241	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110	178.3	-72.5	-177.9	171.6	0	0	110.4	L165 E166 I167 T190 Y194	L165-M192 PolarHBondContact O-N 3.3Å; E166-M192 WeakPolarHBondContact CA-O 3.45Å; E166-M192 HydrophobicContact CB-CB 4.16Å; E166-M192 HydrophobicContact CG-CB 3.97Å; I167-M192 PolarHBondContact N-O 2.99Å; T190-M192 HydrophobicContact CG2-CE 4.43Å; T190-M192 HydrophobicContact CG2-CG 4.48Å; M192-Y194 HydrophobicContact CB-CD1 4.23Å; M192-Y194 HydrophobicContact CB-CE1 4.13Å
193	L	96.9	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.			trans	-130.2	28.6	-169	-67.8	178.2	0	0	0	112.3	F150 I167 I176 F181 V191 N196 F198 D215 L216 N219	F150-L193 HydrophobicContact CE2-CD2 4.14Å; I167-L193 HydrophobicContact CB-CD2 3.9Å; I167-L193 HydrophobicContact CD1-CD2 4.49Å; I167-L193 WeakPolarHBondContact O-CA 3.43Å; I176-L193 HydrophobicContact CD1-CD1 3.7Å; F181-L193 HydrophobicContact CE1-CD1 4.39Å; F181-L193 HydrophobicContact CZ-CD1 3.84Å; V191-L193 HydrophobicContact CG1-CD1 3.34Å; V191-L193 HydrophobicContact CG1-CD2 4.21Å; V191-L193 HydrophobicContact CG1-CG 3.49Å; V191-L193 VanDerWaalsContact CG1-CG 3.49Å; L193-N196 PolarHBondContact O-ND2 3.2Å; L193-F198 HydrophobicContact CB-CE2 4.1Å; L193-D215 CarbonylContact C-O 3.52Å; L193-D215 WeakPolarHBondContact CA-O 3.46Å; L193-D215 WeakPolarHBondContact CB-O 3.35Å; L193-D215 PolarHBondContact N-O 3.34Å; L193-L216 HydrophobicContact CB-CD2 3.91Å; L193-L216 HydrophobicContact CD1-CD2 3.97Å; L193-N219 PolarHBondContact O-ND2 3.23Å; L193-N219 PolarHBondContact O-OD1 2.94Å
194	Y	95.7	Very high	95.6	Very high	53 Å²	53	36.9 Å²	36.9	21%	0.208	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	149	-170.3	61.8	-93.4	0	0	0	113.9	E166 V168 N169 M192 N196 D215 H217	E166-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E166-Y194 PolarHBondContact OE1-OH 3.34Å; V168-Y194 HydrophobicContact CB-CE2 4.34Å; V168-Y194 HydrophobicContact CG1-CD2 3.92Å; V168-Y194 HydrophobicContact CG1-CE1 4.46Å; V168-Y194 HydrophobicContact CG1-CE2 3.42Å; V168-Y194 VanDerWaalsContact CG1-CE2 3.42Å; V168-Y194 HydrophobicContact CG2-CD1 3.7Å; V168-Y194 HydrophobicContact CG2-CD2 4.1Å; V168-Y194 HydrophobicContact CG2-CE1 3.43Å; V168-Y194 VanDerWaalsContact CG2-CE1 3.43Å; V168-Y194 HydrophobicContact CG2-CE2 3.89Å; V168-Y194 HydrophobicContact CG2-CG 4Å; N169-Y194 PolarHBondContact N-O 3.26Å; M192-Y194 HydrophobicContact CB-CD1 4.23Å; M192-Y194 HydrophobicContact CB-CE1 4.13Å; Y194-N196 PolarHBondContact O-N 3.25Å; Y194-N196 PolarHBondContact O-ND2 3.49Å; Y194-D215 PolarHBondContact N-O 3.44Å; Y194-H217 WeakPolarHBondContact CA-O 3.42Å; Y194-H217 WeakPolarHBondContact CB-CE1 3.4Å; Y194-H217 WeakPolarHBondContact CB-ND1 3.44Å; Y194-H217 WeakPolarHBondContact CB-O 3.4Å; Y194-H217 AromaticContact CD2-CE1 3.7Å; Y194-H217 AromaticContact CG-CE1 3.42Å; Y194-H217 VanDerWaalsContact CG-CE1 3.42Å; Y194-H217 AromaticContact CG-NE2 3.85Å
195	G	94.5	Very high	95.7	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	19.5	172.7	0	0	0	0	0	116.5	N169 H217	N169-G195 WeakPolarHBondContact CA-O 3.45Å; G195-H217 PolarHBondContact N-O 3.38Å; G195-H217 VanDerWaalsContact N-O 3.09Å
196	N	96.1	Very high	95.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	17%	0.172	C	C	.	.			trans	-91.2	175.2	177.3	-58.3	-73	0	0	0	112.5	I167 N169 H170 L193 Y194 F198 N219	I167-N196 PolarHBondContact O-ND2 3.04Å; N169-N196 PolarHBondContact N-OD1 3.06Å; H170-N196 WeakPolarHBondContact CB-OD1 3.43Å; H170-N196 PolarHBondContact N-OD1 3Å; H170-N196 PolarHBondContact ND1-OD1 3.47Å; H170-N196 VanDerWaalsContact ND1-OD1 3.13Å; H170-N196 CarbonylContact O-C 3.19Å; H170-N196 WeakPolarHBondContact O-CA 3.29Å; L193-N196 PolarHBondContact O-ND2 3.2Å; Y194-N196 PolarHBondContact O-N 3.25Å; Y194-N196 PolarHBondContact O-ND2 3.49Å; N196-F198 VanDerWaalsContact C-N 3.28Å; N196-F198 HydrophobicContact CB-CD2 3.71Å; N196-F198 HydrophobicContact CB-CE2 3.54Å; N196-F198 HydrophobicContact CB-CG 4.25Å; N196-F198 HydrophobicContact CB-CZ 3.99Å; N196-F198 WeakPolarHBondContact ND2-CE2 3.26Å; N196-F198 PolarHBondContact O-N 3.35Å; N196-N219 VanDerWaalsContact CA-OD1 3.31Å; N196-N219 WeakPolarHBondContact CA-OD1 3.48Å; N196-N219 WeakPolarHBondContact CB-OD1 3.37Å; N196-N219 PolarHBondContact N-OD1 3.46Å; N196-N219 PolarHBondContact O-OD1 3.02Å; N196-N219 VanDerWaalsContact O-OD1 3.07Å
197	G	94.7	Very high	96	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	16%	0.161	C	C	.	.			trans	-81.6	10.5	179.9	0	0	0	0	0	115.8	H170 I173	H170-G197 PolarHBondContact O-N 3.45Å; I173-G197 CarbonylContact O-C 3.43Å; I173-G197 WeakPolarHBondContact O-CA 3.32Å
198	F	96.4	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.			trans	-55.7	141.4	-172.2	-60.8	-52	0	0	0	112.3	F150 I173 I176 L193 N196 N219 F221 L222	F150-F198 HydrophobicContact CD2-CE1 4.19Å; F150-F198 HydrophobicContact CD2-CZ 4.26Å; F150-F198 HydrophobicContact CE2-CZ 4.35Å; I173-F198 HydrophobicContact CB-CE1 4.18Å; I173-F198 HydrophobicContact CG2-CD1 4.15Å; I173-F198 HydrophobicContact CG2-CE1 3.61Å; I173-F198 PolarHBondContact O-N 3.17Å; I173-F198 VanDerWaalsContact O-N 3.15Å; I176-F198 HydrophobicContact CD1-CD1 4.44Å; I176-F198 HydrophobicContact CD1-CD2 4.27Å; I176-F198 HydrophobicContact CD1-CE1 4.16Å; I176-F198 HydrophobicContact CD1-CE2 4.01Å; I176-F198 HydrophobicContact CD1-CZ 3.95Å; I176-F198 HydrophobicContact CG1-CD1 3.77Å; I176-F198 HydrophobicContact CG1-CD2 4.46Å; I176-F198 HydrophobicContact CG1-CE1 3.54Å; I176-F198 HydrophobicContact CG1-CE2 4.29Å; I176-F198 HydrophobicContact CG1-CG 4.24Å; I176-F198 HydrophobicContact CG1-CZ 3.84Å; L193-F198 HydrophobicContact CB-CE2 4.1Å; N196-F198 VanDerWaalsContact C-N 3.28Å; N196-F198 HydrophobicContact CB-CD2 3.71Å; N196-F198 HydrophobicContact CB-CE2 3.54Å; N196-F198 HydrophobicContact CB-CG 4.25Å; N196-F198 HydrophobicContact CB-CZ 3.99Å; N196-F198 WeakPolarHBondContact ND2-CE2 3.26Å; N196-F198 PolarHBondContact O-N 3.35Å; F198-N219 WeakPolarHBondContact CD2-OD1 3.41Å; F198-F221 CarbonylContact O-C 3.46Å; F198-L222 HydrophobicContact CB-CD1 4.4Å; F198-L222 WeakPolarHBondContact O-CA 3.36Å; F198-L222 PolarHBondContact O-N 2.81Å
199	R	95.7	Very high	96.1	Very high	146 Å²	146	31.1 Å²	31.1	55%	0.551	15%	0.151	S	C	*	.			trans	-119	-39.5	178.5	-62	-179.7	176.9	-127	-0.8	112.1	T174 F221 T223 R224	T174-R199 WeakPolarHBondContact O-CB 3.39Å; T174-R199 PolarHBondContact O-N 3.42Å; R199-F221 HydrophobicContact CG-CB 4.25Å; R199-T223 PolarHBondContact O-N 3.09Å; R199-T223 PolarHBondContact O-OG1 3.4Å; R199-R224 PolarHBondContact O-N 3.05Å
200	E	96.6	Very high	96	Very high	47 Å²	47	33.2 Å²	33.2	22%	0.22	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.6	180	-172.6	167.8	131.4	0	0	111.6	E175 I176 R202 R224	E175-E200 VanDerWaalsContact CA-O 3.28Å; E175-E200 WeakPolarHBondContact CA-O 3.49Å; E175-E200 WeakPolarHBondContact CB-O 3.21Å; I176-E200 PolarHBondContact N-O 2.86Å; E200-R202 WeakPolarHBondContact OE1-CD 3.39Å; E200-R202 IonicContact OE1-CZ 2.67Å; E200-R202 IonicContact OE1-NE 3.7Å; E200-R202 IonicContact OE1-NH1 2.77Å; E200-R202 PolarHBondContact OE1-NH1 3.05Å; E200-R224 CarbonylContact C-O 3.55Å; E200-R224 VanDerWaalsContact CA-O 3.31Å; E200-R224 WeakPolarHBondContact CA-O 3.23Å; E200-R224 HydrophobicContact CB-CB 4.32Å; E200-R224 HydrophobicContact CG-CB 3.93Å; E200-R224 IonicContact OE2-NH1 3.1Å
201	I	97.3	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121	166.7	-61.5	172.6	0	0	0	107.6	I176 A205 F206 L216 L222 R224 M225 D226 A229	I176-I201 HydrophobicContact CB-CG1 4.35Å; I176-I201 HydrophobicContact CB-CG2 4.38Å; I176-I201 HydrophobicContact CD1-CD1 4.22Å; I176-I201 HydrophobicContact CD1-CG1 4Å; I176-I201 HydrophobicContact CG1-CG1 4.25Å; I201-A205 HydrophobicContact CG2-CB 3.83Å; I201-F206 HydrophobicContact CG2-CE2 4.36Å; I201-L216 HydrophobicContact CD1-CD1 3.59Å; I201-L216 HydrophobicContact CD1-CD2 3.81Å; I201-L216 HydrophobicContact CD1-CG 4.36Å; I201-L222 HydrophobicContact CD1-CD1 4.13Å; I201-L222 HydrophobicContact CD1-CD2 3.95Å; I201-L222 HydrophobicContact CG1-CD1 3.9Å; I201-R224 PolarHBondContact N-O 3.14Å; I201-M225 HydrophobicContact CB-CG 4.19Å; I201-M225 HydrophobicContact CD1-CE 4.2Å; I201-M225 HydrophobicContact CD1-CG 4.28Å; I201-M225 HydrophobicContact CD1-SD 4.44Å; I201-M225 HydrophobicContact CG2-CG 4.46Å; I201-D226 PolarHBondContact O-N 3.09Å; I201-A229 HydrophobicContact CG2-CB 4.07Å
202	R	96.9	Very high	95.8	Very high	96 Å²	96	35 Å²	35	36%	0.362	17%	0.169	S	C	.	.			trans	-72.1	164.7	-175.5	-59.9	-59.5	-173.3	163.9	11.9	112.4	E175 I176 E200	E175-R202 IonicContact OE2-CZ 3.94Å; E175-R202 IonicContact OE2-NE 3.27Å; E175-R202 PolarHBondContact OE2-NE 2.97Å; E175-R202 IonicContact OE2-NH2 3.66Å; E175-R202 PolarHBondContact OE2-NH2 2.95Å; I176-R202 WeakPolarHBondContact O-CB 3.5Å; I176-R202 WeakPolarHBondContact O-CG 3.07Å; I176-R202 PolarHBondContact O-N 3.46Å; I176-R202 VanDerWaalsContact O-N 3.1Å; E200-R202 WeakPolarHBondContact OE1-CD 3.39Å; E200-R202 IonicContact OE1-CZ 2.67Å; E200-R202 IonicContact OE1-NE 3.7Å; E200-R202 IonicContact OE1-NH1 2.77Å; E200-R202 PolarHBondContact OE1-NH1 3.05Å
203	H	95.7	Very high	95.7	Very high	83 Å²	83	34.8 Å²	34.8	38%	0.384	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	148.5	168	54.4	-100.8	0	0	0	111	A178 A205 D226 R228	A178-H203 VanDerWaalsContact CB-O 3.29Å; A178-H203 WeakPolarHBondContact CB-O 3.43Å; H203-A205 PolarHBondContact O-N 2.9Å; H203-D226 HydrophobicContact CB-CB 4.25Å; H203-R228 HydrophobicContact CB-CB 4.41Å
204	H	95.8	Very high	95.8	Very high	52 Å²	52	34.8 Å²	34.8	24%	0.241	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	25.6	175.6	-58.3	91.6	0	0	0	113.9	N179 F206 N207 R228 A231	N179-H204 PolarHBondContact N-O 2.92Å; H204-F206 VanDerWaalsContact C-N 3.26Å; H204-F206 PolarHBondContact O-N 3.45Å; H204-N207 HydrophobicContact CB-CB 3.95Å; H204-N207 VanDerWaalsContact O-CB 3.26Å; H204-N207 WeakPolarHBondContact O-CB 3.24Å; H204-N207 PolarHBondContact O-N 2.96Å; H204-R228 PolarHBondContact N-O 3.47Å; H204-A231 PolarHBondContact CD2-O 3.46Å; H204-A231 VanDerWaalsContact CD2-O 3.23Å; H204-A231 WeakPolarHBondContact NE2-CB 3.44Å
205	A	96.6	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.6	178.2	0	0	0	0	0	111.7	I176 S180 F181 I201 H203 A229	I176-A205 HydrophobicContact CG2-CB 4.13Å; S180-A205 PolarHBondContact N-O 3.11Å; F181-A205 WeakPolarHBondContact CD2-O 3.27Å; I201-A205 HydrophobicContact CG2-CB 3.83Å; H203-A205 PolarHBondContact O-N 2.9Å; A205-A229 PolarHBondContact N-O 2.98Å
206	F	96.1	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	31.8	-179.8	-51.1	-89.8	0	0	0	113	F181 V191 I201 H204 T209 L211 V214 M225 A229 F230 T233	F181-F206 AromaticContact CD2-CD1 3.42Å; F181-F206 HydrophobicContact CD2-CD1 3.42Å; F181-F206 VanDerWaalsContact CD2-CD1 3.42Å; F181-F206 AromaticContact CD2-CE1 3.78Å; F181-F206 HydrophobicContact CD2-CE1 3.78Å; F181-F206 HydrophobicContact CD2-CG 4.12Å; F181-F206 AromaticContact CE2-CD1 3.54Å; F181-F206 HydrophobicContact CE2-CD1 3.54Å; F181-F206 AromaticContact CE2-CE1 3.38Å; F181-F206 HydrophobicContact CE2-CE1 3.38Å; F181-F206 HydrophobicContact CE2-CG 4.31Å; F181-F206 HydrophobicContact CE2-CZ 4.02Å; F181-F206 HydrophobicContact CG-CD1 4.23Å; F181-F206 HydrophobicContact CZ-CD1 4.41Å; F181-F206 AromaticContact CZ-CE1 3.92Å; F181-F206 HydrophobicContact CZ-CE1 3.92Å; V191-F206 HydrophobicContact CG1-CE1 4.15Å; I201-F206 HydrophobicContact CG2-CE2 4.36Å; H204-F206 VanDerWaalsContact C-N 3.26Å; H204-F206 PolarHBondContact O-N 3.45Å; F206-T209 PolarHBondContact O-OG1 3.09Å; F206-T209 VanDerWaalsContact O-OG1 3.13Å; F206-L211 HydrophobicContact CB-CD1 3.89Å; F206-L211 HydrophobicContact CD1-CD1 4.11Å; F206-L211 HydrophobicContact CD1-CD2 4.04Å; F206-L211 HydrophobicContact CG-CD1 4.07Å; F206-V214 HydrophobicContact CE1-CG1 4.2Å; F206-V214 HydrophobicContact CE1-CG2 4.32Å; F206-V214 HydrophobicContact CZ-CG1 3.96Å; F206-M225 HydrophobicContact CE2-CE 4.36Å; F206-A229 PolarHBondContact N-O 3.43Å; F206-F230 HydrophobicContact CB-CD1 4.07Å; F206-F230 HydrophobicContact CD1-CE1 4.4Å; F206-F230 AromaticContact CD2-CD1 3.43Å; F206-F230 HydrophobicContact CD2-CD1 3.43Å; F206-F230 VanDerWaalsContact CD2-CD1 3.43Å; F206-F230 AromaticContact CD2-CE1 3.34Å; F206-F230 HydrophobicContact CD2-CE1 3.34Å; F206-F230 HydrophobicContact CD2-CG 4.47Å; F206-F230 HydrophobicContact CD2-CZ 4.33Å; F206-F230 HydrophobicContact CE1-CE1 4.48Å; F206-F230 HydrophobicContact CE2-CD1 4.03Å; F206-F230 AromaticContact CE2-CE1 3.47Å; F206-F230 HydrophobicContact CE2-CE1 3.47Å; F206-F230 VanDerWaalsContact CE2-CE1 3.47Å; F206-F230 HydrophobicContact CE2-CZ 4.09Å; F206-F230 AromaticContact CG-CD1 3.87Å; F206-F230 HydrophobicContact CG-CD1 3.87Å; F206-F230 AromaticContact CG-CE1 3.85Å; F206-F230 HydrophobicContact CG-CE1 3.85Å; F206-F230 HydrophobicContact CZ-CE1 4.06Å; F206-T233 HydrophobicContact CB-CG2 3.96Å; F206-T233 VanDerWaalsContact O-CG2 3.24Å; F206-T233 WeakPolarHBondContact O-CG2 3.42Å
207	N	95.5	Very high	96	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	137.6	178.8	178.2	38.1	0	0	0	111.7	N179 H204 G232	N179-N207 WeakPolarHBondContact OD1-CB 3.24Å; N179-N207 PolarHBondContact OD1-ND2 3.14Å; H204-N207 HydrophobicContact CB-CB 3.95Å; H204-N207 VanDerWaalsContact O-CB 3.26Å; H204-N207 WeakPolarHBondContact O-CB 3.24Å; H204-N207 PolarHBondContact O-N 2.96Å; N207-G232 WeakPolarHBondContact OD1-CA 3.43Å; N207-G232 PolarHBondContact OD1-O 3.2Å
208	G	93.1	Very high	96.1	Very high	28 Å²	28	39.9 Å²	39.9	29%	0.289	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	12.5	177	0	0	0	0	0	115.8	G232 I234	G208-G232 PolarHBondContact N-O 3.25Å; G208-I234 WeakPolarHBondContact O-CD1 3.29Å
209	T	95.1	Very high	96.1	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	18%	0.18	C	C	.	.			trans	-111.8	148.7	179.3	60.5	0	0	0	0	113.2	F181 L189 F206 L211 I234	F181-T209 HydrophobicContact CB-CG2 3.81Å; F181-T209 WeakPolarHBondContact O-CG2 3.37Å; L189-T209 HydrophobicContact CD2-CG2 4.09Å; F206-T209 PolarHBondContact O-OG1 3.09Å; F206-T209 VanDerWaalsContact O-OG1 3.13Å; T209-L211 WeakPolarHBondContact OG1-CD2 3.31Å; T209-I234 PolarHBondContact O-N 2.97Å
210	K	95.1	Very high	96	Very high	45 Å²	45	36.1 Å²	36.1	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.6	158.8	-63.2	166.1	-176.7	157.8	0	107.2	S186 E187 F188 L189 I234 S235	S186-K210 VanDerWaalsContact O-CD 3.3Å; S186-K210 WeakPolarHBondContact O-CD 3.07Å; S186-K210 WeakPolarHBondContact O-CE 3.45Å; S186-K210 PolarHBondContact O-NZ 3.08Å; E187-K210 IonicContact OE1-NZ 3.67Å; E187-K210 PolarHBondContact OE1-NZ 3.05Å; E187-K210 IonicContact OE2-NZ 3.49Å; E187-K210 PolarHBondContact OE2-NZ 3.25Å; F188-K210 HydrophobicContact CD1-CB 4.19Å; F188-K210 HydrophobicContact CE1-CB 4.5Å; L189-K210 WeakPolarHBondContact CB-O 3.41Å; L189-K210 PolarHBondContact N-O 3.45Å; K210-I234 HydrophobicContact CG-CB 4Å; K210-I234 HydrophobicContact CG-CG2 3.93Å; K210-S235 WeakPolarHBondContact CA-OG 3.25Å; K210-S235 VanDerWaalsContact CB-OG 3.31Å; K210-S235 WeakPolarHBondContact CB-OG 3.14Å
211	L	95.9	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.4	179.9	-65.1	175.5	0	0	0	110.6	L189 V191 F206 T209 V214 F230 T233 S235 G236 P237	L189-L211 HydrophobicContact CD2-CD2 4.48Å; V191-L211 HydrophobicContact CG2-CD2 4.04Å; F206-L211 HydrophobicContact CB-CD1 3.89Å; F206-L211 HydrophobicContact CD1-CD1 4.11Å; F206-L211 HydrophobicContact CD1-CD2 4.04Å; F206-L211 HydrophobicContact CG-CD1 4.07Å; T209-L211 WeakPolarHBondContact OG1-CD2 3.31Å; L211-V214 HydrophobicContact CD1-CG2 3.99Å; L211-V214 HydrophobicContact CD2-CG2 4.24Å; L211-F230 HydrophobicContact CD1-CD1 3.76Å; L211-F230 HydrophobicContact CD1-CE1 3.81Å; L211-T233 HydrophobicContact CD1-CG2 3.69Å; L211-T233 HydrophobicContact CG-CG2 4.3Å; L211-S235 PolarHBondContact N-O 3.23Å; L211-G236 WeakPolarHBondContact O-CA 3.05Å; L211-P237 HydrophobicContact CB-CB 4.04Å; L211-P237 HydrophobicContact CD1-CB 4.24Å; L211-P237 HydrophobicContact CD1-CG 4.43Å
212	D	94.4	Very high	95.9	Very high	61 Å²	61	39.2 Å²	39.2	33%	0.326	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-65.7	162.5	-172.8	49	0	0	0	110.9	F188 L189 T238 L239	F188-D212 HydrophobicContact CD1-CB 4.41Å; L189-D212 PolarHBondContact O-N 3.44Å; D212-T238 CarbonylContact O-C 3.49Å; D212-T238 WeakPolarHBondContact O-CA 3.43Å; D212-T238 VanDerWaalsContact O-CB 3.26Å; D212-T238 WeakPolarHBondContact O-CB 3.37Å; D212-T238 PolarHBondContact O-N 3.47Å; D212-T238 WeakPolarHBondContact OD1-CB 3.46Å; D212-T238 PolarHBondContact OD1-OG1 3.22Å; D212-L239 PolarHBondContact O-N 3.34Å
213	Q	96.6	Very high	95.9	Very high	45 Å²	45	37.5 Å²	37.5	21%	0.21	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	-177.4	175.9	160.2	-36.4	0	0	112.5	T190 V191 D215 L239	T190-Q213 WeakPolarHBondContact CA-O 3.45Å; T190-Q213 HydrophobicContact CG2-CB 4.06Å; T190-Q213 HydrophobicContact CG2-CG 4.47Å; V191-Q213 PolarHBondContact N-O 3.13Å; Q213-D215 PolarHBondContact NE2-OD1 3.05Å; Q213-D215 PolarHBondContact NE2-OD2 2.87Å; Q213-L239 HydrophobicContact CB-CB 4.2Å; Q213-L239 HydrophobicContact CG-CB 4.1Å; Q213-L239 HydrophobicContact CG-CD2 3.83Å; Q213-L239 HydrophobicContact CG-CG 4.4Å
214	V	97.6	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.4	174.5	178.1	0	0	0	0	109.5	V191 F206 L211 L216 F230 P237 L239 L240 D241	V191-V214 HydrophobicContact CB-CG2 4.34Å; V191-V214 WeakPolarHBondContact O-CA 3.4Å; F206-V214 HydrophobicContact CE1-CG1 4.2Å; F206-V214 HydrophobicContact CE1-CG2 4.32Å; F206-V214 HydrophobicContact CZ-CG1 3.96Å; L211-V214 HydrophobicContact CD1-CG2 3.99Å; L211-V214 HydrophobicContact CD2-CG2 4.24Å; V214-L216 HydrophobicContact CG1-CD1 4Å; V214-L216 HydrophobicContact CG1-CG 4.03Å; V214-F230 HydrophobicContact CG1-CZ 4.44Å; V214-F230 HydrophobicContact CG2-CE1 4.27Å; V214-P237 HydrophobicContact CG2-CB 3.97Å; V214-L239 PolarHBondContact N-O 3.09Å; V214-L240 HydrophobicContact CB-CD1 4.03Å; V214-L240 HydrophobicContact CG1-CD1 3.94Å; V214-L240 WeakPolarHBondContact O-CA 3.48Å; V214-D241 PolarHBondContact O-N 3.46Å
215	D	97.8	Very high	95.9	Very high	7 Å²	7	39 Å²	39	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.3	178.2	-66.4	-49.9	0	0	0	111.1	V191 L193 Y194 Q213 D241	V191-D215 PolarHBondContact O-N 2.87Å; L193-D215 CarbonylContact C-O 3.52Å; L193-D215 WeakPolarHBondContact CA-O 3.46Å; L193-D215 WeakPolarHBondContact CB-O 3.35Å; L193-D215 PolarHBondContact N-O 3.34Å; Y194-D215 PolarHBondContact N-O 3.44Å; Q213-D215 PolarHBondContact NE2-OD1 3.05Å; Q213-D215 PolarHBondContact NE2-OD2 2.87Å; D215-D241 VanDerWaalsContact OD1-CB 3.27Å; D215-D241 WeakPolarHBondContact OD1-CB 3.35Å
216	L	97.1	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.			trans	-105.9	15.8	175.5	-70.6	165.2	0	0	0	112	I176 L193 I201 V214 N219 M225 L240 D241 V242 T245	I176-L216 HydrophobicContact CD1-CD2 4.3Å; L193-L216 HydrophobicContact CB-CD2 3.91Å; L193-L216 HydrophobicContact CD1-CD2 3.97Å; I201-L216 HydrophobicContact CD1-CD1 3.59Å; I201-L216 HydrophobicContact CD1-CD2 3.81Å; I201-L216 HydrophobicContact CD1-CG 4.36Å; V214-L216 HydrophobicContact CG1-CD1 4Å; V214-L216 HydrophobicContact CG1-CG 4.03Å; L216-N219 VanDerWaalsContact C-ND2 3.26Å; L216-N219 PolarHBondContact O-ND2 2.93Å; L216-M225 HydrophobicContact CD1-CE 3.98Å; L216-M225 HydrophobicContact CD1-SD 4.5Å; L216-L240 HydrophobicContact CD1-CD1 4.35Å; L216-D241 CarbonylContact C-O 3.52Å; L216-D241 WeakPolarHBondContact CA-O 3.43Å; L216-D241 WeakPolarHBondContact CB-O 3.46Å; L216-D241 PolarHBondContact N-O 3.49Å; L216-V242 HydrophobicContact CB-CG1 4.3Å; L216-V242 HydrophobicContact CD1-CG1 4.38Å; L216-T245 WeakPolarHBondContact O-CG2 3.42Å
217	H	96.6	Very high	95.6	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.167	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	158.4	-174.2	70.6	66.6	0	0	0	113.2	Y194 G195 N219 D241 S243	Y194-H217 WeakPolarHBondContact CA-O 3.42Å; Y194-H217 WeakPolarHBondContact CB-CE1 3.4Å; Y194-H217 WeakPolarHBondContact CB-ND1 3.44Å; Y194-H217 WeakPolarHBondContact CB-O 3.4Å; Y194-H217 AromaticContact CD2-CE1 3.7Å; Y194-H217 AromaticContact CG-CE1 3.42Å; Y194-H217 VanDerWaalsContact CG-CE1 3.42Å; Y194-H217 AromaticContact CG-NE2 3.85Å; G195-H217 PolarHBondContact N-O 3.38Å; G195-H217 VanDerWaalsContact N-O 3.09Å; H217-N219 PolarHBondContact O-N 3.24Å; H217-D241 IonicContact CD2-OD2 2.75Å; H217-D241 PolarHBondContact N-O 3.01Å; H217-S243 CarbonylContact C-O 3.58Å; H217-S243 WeakPolarHBondContact CA-O 3.33Å; H217-S243 VanDerWaalsContact CB-O 3.31Å; H217-S243 WeakPolarHBondContact CB-O 3.21Å
218	R	95.7	Very high	95.6	Very high	144 Å²	144	46.8 Å²	46.8	54%	0.543	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	7.8	-178.5	-63.9	175.1	-179.8	167.8	2	116.1	V220 S243 Q244	R218-V220 PolarHBondContact O-N 2.97Å; R218-S243 PolarHBondContact N-O 2.99Å; R218-Q244 WeakPolarHBondContact CA-O 3.49Å; R218-Q244 HydrophobicContact CG-CB 4.24Å; R218-Q244 VanDerWaalsContact CG-OE1 3.24Å
219	N	96.5	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.			trans	-74.8	75.1	169.3	-69.7	-63.3	0	0	0	109.8	L193 N196 F198 L216 H217 F221 L222 T245	L193-N219 PolarHBondContact O-ND2 3.23Å; L193-N219 PolarHBondContact O-OD1 2.94Å; N196-N219 VanDerWaalsContact CA-OD1 3.31Å; N196-N219 WeakPolarHBondContact CA-OD1 3.48Å; N196-N219 WeakPolarHBondContact CB-OD1 3.37Å; N196-N219 PolarHBondContact N-OD1 3.46Å; N196-N219 PolarHBondContact O-OD1 3.02Å; N196-N219 VanDerWaalsContact O-OD1 3.07Å; F198-N219 WeakPolarHBondContact CD2-OD1 3.41Å; L216-N219 VanDerWaalsContact C-ND2 3.26Å; L216-N219 PolarHBondContact O-ND2 2.93Å; H217-N219 PolarHBondContact O-N 3.24Å; N219-F221 PolarHBondContact O-N 3.21Å; N219-L222 HydrophobicContact CB-CB 3.8Å; N219-L222 HydrophobicContact CB-CD2 4.24Å; N219-L222 VanDerWaalsContact O-CB 3.3Å; N219-L222 WeakPolarHBondContact O-CB 3.21Å; N219-L222 PolarHBondContact O-N 3.47Å; N219-T245 HydrophobicContact CB-CG2 4.14Å
220	V	94.5	Very high	95.7	Very high	68 Å²	68	45.3 Å²	45.3	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.6	-170.1	-62.1	0	0	0	0	114.9	R218 R246	R218-V220 PolarHBondContact O-N 2.97Å; V220-R246 WeakPolarHBondContact O-CD 3.41Å; V220-R246 WeakPolarHBondContact O-CG 3.4Å; V220-R246 PolarHBondContact O-NE 3.47Å
221	F	95.8	Very high	95.6	Very high	111 Å²	111	44 Å²	44	49%	0.487	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.7	176.1	-58.8	-67	0	0	0	113.6	F198 R199 N219 T223	F198-F221 CarbonylContact O-C 3.46Å; R199-F221 HydrophobicContact CG-CB 4.25Å; N219-F221 PolarHBondContact O-N 3.21Å; F221-T223 PolarHBondContact O-N 3.35Å
222	L	96.7	Very high	95.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.23	C	C	.	.			trans	-73.2	110.9	-175.7	176.4	60.7	0	0	0	108.9	F198 I201 N219 R224 T245 R246 I247	F198-L222 HydrophobicContact CB-CD1 4.4Å; F198-L222 WeakPolarHBondContact O-CA 3.36Å; F198-L222 PolarHBondContact O-N 2.81Å; I201-L222 HydrophobicContact CD1-CD1 4.13Å; I201-L222 HydrophobicContact CD1-CD2 3.95Å; I201-L222 HydrophobicContact CG1-CD1 3.9Å; N219-L222 HydrophobicContact CB-CB 3.8Å; N219-L222 HydrophobicContact CB-CD2 4.24Å; N219-L222 VanDerWaalsContact O-CB 3.3Å; N219-L222 WeakPolarHBondContact O-CB 3.21Å; N219-L222 PolarHBondContact O-N 3.47Å; L222-R224 WeakPolarHBondContact CD1-O 3.46Å; L222-T245 HydrophobicContact CD2-CG2 4.41Å; L222-R246 CarbonylContact O-C 3.57Å; L222-R246 WeakPolarHBondContact O-CA 3.37Å; L222-R246 WeakPolarHBondContact O-CB 3.32Å; L222-R246 PolarHBondContact O-N 3.47Å; L222-I247 HydrophobicContact CD2-CG2 4.07Å; L222-I247 HydrophobicContact CG-CG2 3.77Å; L222-I247 PolarHBondContact O-N 3.33Å
223	T	95.3	Very high	95.3	Very high	60 Å²	60	44.5 Å²	44.5	37%	0.368	22%	0.223	S	C	.	.			trans	-114.1	-26.3	-175.4	50.3	0	0	0	0	113.3	R199 F221 R246 T248	R199-T223 PolarHBondContact O-N 3.09Å; R199-T223 PolarHBondContact O-OG1 3.4Å; F221-T223 PolarHBondContact O-N 3.35Å; T223-R246 WeakPolarHBondContact CA-O 3.26Å; T223-R246 HydrophobicContact CG2-CB 3.93Å; T223-T248 PolarHBondContact O-N 3.46Å
224	R	95.9	Very high	95	Very high	157 Å²	157	47.6 Å²	47.6	59%	0.592	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.2	-177	-68.8	-179.8	175.1	-176.7	-2.4	111.5	R199 E200 I201 L222	R199-R224 PolarHBondContact O-N 3.05Å; E200-R224 CarbonylContact C-O 3.55Å; E200-R224 VanDerWaalsContact CA-O 3.31Å; E200-R224 WeakPolarHBondContact CA-O 3.23Å; E200-R224 HydrophobicContact CB-CB 4.32Å; E200-R224 HydrophobicContact CG-CB 3.93Å; E200-R224 IonicContact OE2-NH1 3.1Å; I201-R224 PolarHBondContact N-O 3.14Å; L222-R224 WeakPolarHBondContact CD1-O 3.46Å
225	M	95.9	Very high	94.7	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.9	166.2	-170.8	173.7	-164.2	0	0	106.3	I201 F206 L216 A229 F230 P251	I201-M225 HydrophobicContact CB-CG 4.19Å; I201-M225 HydrophobicContact CD1-CE 4.2Å; I201-M225 HydrophobicContact CD1-CG 4.28Å; I201-M225 HydrophobicContact CD1-SD 4.44Å; I201-M225 HydrophobicContact CG2-CG 4.46Å; F206-M225 HydrophobicContact CE2-CE 4.36Å; L216-M225 HydrophobicContact CD1-CE 3.98Å; L216-M225 HydrophobicContact CD1-SD 4.5Å; M225-A229 HydrophobicContact CE-CB 4.03Å; M225-A229 HydrophobicContact CG-CB 3.97Å; M225-F230 HydrophobicContact CE-CD2 4.32Å; M225-F230 HydrophobicContact CE-CE1 4.38Å; M225-F230 HydrophobicContact CE-CE2 3.48Å; M225-F230 VanDerWaalsContact CE-CE2 3.48Å; M225-F230 HydrophobicContact CE-CZ 3.51Å; M225-P251 HydrophobicContact CE-CG 4.03Å; M225-P251 HydrophobicContact CG-CG 3.97Å; M225-P251 HydrophobicContact SD-CG 3.78Å
226	D	95.1	Very high	94.1	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.262	25%	0.252	S	S	.	.			trans	-60	141.6	-178	-171.3	-72	0	0	0	110.8	I201 H203 R228 A229	I201-D226 PolarHBondContact O-N 3.09Å; H203-D226 HydrophobicContact CB-CB 4.25Å; D226-R228 PolarHBondContact O-N 3.22Å; D226-R228 WeakPolarHBondContact OD1-CA 3.46Å; D226-R228 WeakPolarHBondContact OD1-CB 3.47Å; D226-R228 PolarHBondContact OD1-N 3.35Å; D226-A229 WeakPolarHBondContact O-CB 3.4Å; D226-A229 PolarHBondContact O-N 3.37Å
227	G	92.2	Very high	94	Very high	31 Å²	31	49.1 Å²	49.1	32%	0.32	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.2	179.1	0	0	0	0	0	114.2	S252 T253	G227-S252 PolarHBondContact O-N 2.99Å; G227-T253 PolarHBondContact O-N 2.95Å; G227-T253 PolarHBondContact O-OG1 2.9Å
228	R	94.3	Very high	93.9	Very high	127 Å²	127	49.3 Å²	49.3	48%	0.479	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	23.6	177.7	-59	-179.6	-62.7	167.1	2.4	112.9	H203 H204 D226 F230 A231	H203-R228 HydrophobicContact CB-CB 4.41Å; H204-R228 PolarHBondContact N-O 3.47Å; D226-R228 PolarHBondContact O-N 3.22Å; D226-R228 WeakPolarHBondContact OD1-CA 3.46Å; D226-R228 WeakPolarHBondContact OD1-CB 3.47Å; D226-R228 PolarHBondContact OD1-N 3.35Å; R228-F230 PolarHBondContact O-N 2.93Å; R228-A231 HydrophobicContact CB-CB 3.72Å; R228-A231 HydrophobicContact CG-CB 4.44Å; R228-A231 VanDerWaalsContact O-CB 3.3Å; R228-A231 WeakPolarHBondContact O-CB 3.31Å; R228-A231 PolarHBondContact O-N 3.37Å
229	A	95.5	Very high	93.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39	176.6	0	0	0	0	0	112.6	I201 A205 F206 M225 D226 P251	I201-A229 HydrophobicContact CG2-CB 4.07Å; A205-A229 PolarHBondContact N-O 2.98Å; F206-A229 PolarHBondContact N-O 3.43Å; M225-A229 HydrophobicContact CE-CB 4.03Å; M225-A229 HydrophobicContact CG-CB 3.97Å; D226-A229 WeakPolarHBondContact O-CB 3.4Å; D226-A229 PolarHBondContact O-N 3.37Å; A229-P251 HydrophobicContact CB-CG 4.32Å
230	F	95.3	Very high	94	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	22.2	173.3	-58.1	-61.6	0	0	0	113.4	F206 L211 V214 M225 R228 T233 P237 L240 P251 M255	F206-F230 HydrophobicContact CB-CD1 4.07Å; F206-F230 HydrophobicContact CD1-CE1 4.4Å; F206-F230 AromaticContact CD2-CD1 3.43Å; F206-F230 HydrophobicContact CD2-CD1 3.43Å; F206-F230 VanDerWaalsContact CD2-CD1 3.43Å; F206-F230 AromaticContact CD2-CE1 3.34Å; F206-F230 HydrophobicContact CD2-CE1 3.34Å; F206-F230 HydrophobicContact CD2-CG 4.47Å; F206-F230 HydrophobicContact CD2-CZ 4.33Å; F206-F230 HydrophobicContact CE1-CE1 4.48Å; F206-F230 HydrophobicContact CE2-CD1 4.03Å; F206-F230 AromaticContact CE2-CE1 3.47Å; F206-F230 HydrophobicContact CE2-CE1 3.47Å; F206-F230 VanDerWaalsContact CE2-CE1 3.47Å; F206-F230 HydrophobicContact CE2-CZ 4.09Å; F206-F230 AromaticContact CG-CD1 3.87Å; F206-F230 HydrophobicContact CG-CD1 3.87Å; F206-F230 AromaticContact CG-CE1 3.85Å; F206-F230 HydrophobicContact CG-CE1 3.85Å; F206-F230 HydrophobicContact CZ-CE1 4.06Å; L211-F230 HydrophobicContact CD1-CD1 3.76Å; L211-F230 HydrophobicContact CD1-CE1 3.81Å; V214-F230 HydrophobicContact CG1-CZ 4.44Å; V214-F230 HydrophobicContact CG2-CE1 4.27Å; M225-F230 HydrophobicContact CE-CD2 4.32Å; M225-F230 HydrophobicContact CE-CE1 4.38Å; M225-F230 HydrophobicContact CE-CE2 3.48Å; M225-F230 VanDerWaalsContact CE-CE2 3.48Å; M225-F230 HydrophobicContact CE-CZ 3.51Å; R228-F230 PolarHBondContact O-N 2.93Å; F230-T233 HydrophobicContact CB-CG2 4.11Å; F230-T233 HydrophobicContact CD1-CG2 4.22Å; F230-T233 PolarHBondContact O-OG1 3.21Å; F230-P237 HydrophobicContact CD1-CG 4.41Å; F230-P237 HydrophobicContact CE1-CG 4.03Å; F230-P237 HydrophobicContact CE2-CG 4.28Å; F230-P237 HydrophobicContact CZ-CG 3.96Å; F230-L240 HydrophobicContact CE2-CD1 4.49Å; F230-L240 HydrophobicContact CE2-CD2 4.2Å; F230-L240 HydrophobicContact CZ-CD1 4.06Å; F230-P251 HydrophobicContact CD2-CB 4.13Å; F230-P251 HydrophobicContact CD2-CG 3.84Å; F230-P251 HydrophobicContact CE2-CG 4.02Å; F230-M255 HydrophobicContact CD2-SD 3.75Å; F230-M255 HydrophobicContact CE2-SD 3.94Å
231	A	92.6	Very high	94.1	Very high	17 Å²	17	40.9 Å²	40.9	14%	0.14	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	132.7	169.8	0	0	0	0	0	109.7	H204 R228	H204-A231 PolarHBondContact CD2-O 3.46Å; H204-A231 VanDerWaalsContact CD2-O 3.23Å; H204-A231 WeakPolarHBondContact NE2-CB 3.44Å; R228-A231 HydrophobicContact CB-CB 3.72Å; R228-A231 HydrophobicContact CG-CB 4.44Å; R228-A231 VanDerWaalsContact O-CB 3.3Å; R228-A231 WeakPolarHBondContact O-CB 3.31Å; R228-A231 PolarHBondContact O-N 3.37Å
232	G	90	Very high	94.2	Very high	42 Å²	42	35.6 Å²	35.6	43%	0.433	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	9.7	-176.5	0	0	0	0	0	115.1	N207 G208	N207-G232 WeakPolarHBondContact OD1-CA 3.43Å; N207-G232 PolarHBondContact OD1-O 3.2Å; G208-G232 PolarHBondContact N-O 3.25Å
233	T	93.5	Very high	94.2	Very high	29 Å²	29	36 Å²	36	18%	0.178	20%	0.198	C	C	.	.			trans	-63.3	140.7	164.4	53.8	0	0	0	0	109.6	F206 L211 F230 G236	F206-T233 HydrophobicContact CB-CG2 3.96Å; F206-T233 VanDerWaalsContact O-CG2 3.24Å; F206-T233 WeakPolarHBondContact O-CG2 3.42Å; L211-T233 HydrophobicContact CD1-CG2 3.69Å; L211-T233 HydrophobicContact CG-CG2 4.3Å; F230-T233 HydrophobicContact CB-CG2 4.11Å; F230-T233 HydrophobicContact CD1-CG2 4.22Å; F230-T233 PolarHBondContact O-OG1 3.21Å; T233-G236 PolarHBondContact OG1-O 3.4Å
234	I	91.5	Very high	94.3	Very high	111 Å²	111	36.8 Å²	36.8	57%	0.569	20%	0.198	S	C	*	.	S	Bend	trans	-76.6	-39.8	176.7	-60.7	173.1	0	0	0	109.4	G208 T209 K210	G208-I234 WeakPolarHBondContact O-CD1 3.29Å; T209-I234 PolarHBondContact O-N 2.97Å; K210-I234 HydrophobicContact CG-CB 4Å; K210-I234 HydrophobicContact CG-CG2 3.93Å
235	S	90.3	Very high	94.3	Very high	36 Å²	36	29.5 Å²	29.5	25%	0.252	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-152.8	157	173.3	59.4	0	0	0	0	109.9	K210 L211	K210-S235 WeakPolarHBondContact CA-OG 3.25Å; K210-S235 VanDerWaalsContact CB-OG 3.31Å; K210-S235 WeakPolarHBondContact CB-OG 3.14Å; L211-S235 PolarHBondContact N-O 3.23Å
236	G	86.3	Confident	94.3	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	20%	0.196	C	C	.	.			trans	74.2	-171.7	173.1	0	0	0	0	0	115.6	L211 T233	L211-G236 WeakPolarHBondContact O-CA 3.05Å; T233-G236 PolarHBondContact OG1-O 3.4Å
237	P	94.6	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.			cis	-71.7	151	6.8	29.5	-35	0	0	0	114	L211 V214 F230 L258	L211-P237 HydrophobicContact CB-CB 4.04Å; L211-P237 HydrophobicContact CD1-CB 4.24Å; L211-P237 HydrophobicContact CD1-CG 4.43Å; V214-P237 HydrophobicContact CG2-CB 3.97Å; F230-P237 HydrophobicContact CD1-CG 4.41Å; F230-P237 HydrophobicContact CE1-CG 4.03Å; F230-P237 HydrophobicContact CE2-CG 4.28Å; F230-P237 HydrophobicContact CZ-CG 3.96Å; P237-L258 HydrophobicContact CG-CD1 4.23Å; P237-L258 VanDerWaalsContact O-CA 3.24Å; P237-L258 WeakPolarHBondContact O-CA 3.08Å; P237-L258 WeakPolarHBondContact O-CD1 3.38Å; P237-L258 PolarHBondContact O-N 2.91Å
238	T	94.5	Very high	94.4	Very high	40 Å²	40	36.5 Å²	36.5	25%	0.245	19%	0.193	C	C	.	.	S	Bend	trans	-78.1	-41.1	168.8	-45.1	0	0	0	0	111.2	D212 R259 K260	D212-T238 CarbonylContact O-C 3.49Å; D212-T238 WeakPolarHBondContact O-CA 3.43Å; D212-T238 VanDerWaalsContact O-CB 3.26Å; D212-T238 WeakPolarHBondContact O-CB 3.37Å; D212-T238 PolarHBondContact O-N 3.47Å; D212-T238 WeakPolarHBondContact OD1-CB 3.46Å; D212-T238 PolarHBondContact OD1-OG1 3.22Å; T238-R259 HydrophobicContact CG2-CB 4Å; T238-R259 HydrophobicContact CG2-CG 4.1Å; T238-R259 PolarHBondContact O-N 3.49Å; T238-K260 PolarHBondContact O-N 3.16Å
239	L	96.1	Very high	94.4	Very high	23 Å²	23	33 Å²	33	12%	0.12	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.6	176.8	-167.8	150.7	0	0	0	111.4	D212 Q213 V214 D241 K260	D212-L239 PolarHBondContact O-N 3.34Å; Q213-L239 HydrophobicContact CB-CB 4.2Å; Q213-L239 HydrophobicContact CG-CB 4.1Å; Q213-L239 HydrophobicContact CG-CD2 3.83Å; Q213-L239 HydrophobicContact CG-CG 4.4Å; V214-L239 PolarHBondContact N-O 3.09Å; L239-D241 HydrophobicContact CD2-CB 4.29Å; L239-K260 WeakPolarHBondContact CA-O 3.39Å; L239-K260 HydrophobicContact CB-CB 4.34Å; L239-K260 HydrophobicContact CD1-CB 4.02Å; L239-K260 HydrophobicContact CD1-CD 3.82Å; L239-K260 HydrophobicContact CD1-CG 3.86Å; L239-K260 HydrophobicContact CG-CB 3.94Å; L239-K260 HydrophobicContact CG-CG 4.03Å
240	L	97.3	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120	172.6	179.1	63.4	0	0	0	110.4	V214 L216 F230 V242 L250 M255 L258 K260 L261 K262	V214-L240 HydrophobicContact CB-CD1 4.03Å; V214-L240 HydrophobicContact CG1-CD1 3.94Å; V214-L240 WeakPolarHBondContact O-CA 3.48Å; L216-L240 HydrophobicContact CD1-CD1 4.35Å; F230-L240 HydrophobicContact CE2-CD1 4.49Å; F230-L240 HydrophobicContact CE2-CD2 4.2Å; F230-L240 HydrophobicContact CZ-CD1 4.06Å; L240-V242 HydrophobicContact CD1-CG1 4Å; L240-V242 HydrophobicContact CD2-CG1 4.34Å; L240-V242 HydrophobicContact CG-CG1 4.04Å; L240-L250 HydrophobicContact CD2-CD2 3.96Å; L240-M255 HydrophobicContact CD2-CE 3.61Å; L240-M255 HydrophobicContact CD2-SD 4.45Å; L240-L258 HydrophobicContact CB-CD1 3.69Å; L240-L258 HydrophobicContact CB-CD2 4.47Å; L240-K260 PolarHBondContact N-O 2.72Å; L240-L261 HydrophobicContact CB-CD1 4.35Å; L240-L261 HydrophobicContact CD2-CD1 4.18Å; L240-L261 HydrophobicContact CG-CD1 4.38Å; L240-K262 PolarHBondContact O-N 3.46Å
241	D	97.9	Very high	94.2	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.059	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110.5	172.6	-161.1	-19.3	0	0	0	111.1	V214 D215 L216 H217 L239 S243 K262	V214-D241 PolarHBondContact O-N 3.46Å; D215-D241 VanDerWaalsContact OD1-CB 3.27Å; D215-D241 WeakPolarHBondContact OD1-CB 3.35Å; L216-D241 CarbonylContact C-O 3.52Å; L216-D241 WeakPolarHBondContact CA-O 3.43Å; L216-D241 WeakPolarHBondContact CB-O 3.46Å; L216-D241 PolarHBondContact N-O 3.49Å; H217-D241 IonicContact CD2-OD2 2.75Å; H217-D241 PolarHBondContact N-O 3.01Å; L239-D241 HydrophobicContact CD2-CB 4.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.3Å; D241-S243 PolarHBondContact OD1-N 3.08Å; D241-S243 PolarHBondContact OD1-OG 3.04Å; D241-K262 HydrophobicContact CB-CB 4.31Å; D241-K262 HydrophobicContact CB-CD 3.79Å; D241-K262 WeakPolarHBondContact OD2-CD 3.21Å; D241-K262 WeakPolarHBondContact OD2-CE 3.24Å; D241-K262 IonicContact OD2-NZ 3.76Å; D241-K262 PolarHBondContact OD2-NZ 3.43Å
242	V	97.1	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.			trans	-116	23.4	175.7	-66.7	0	0	0	0	111.6	L216 L240 T245 I247 L250 K262 A263 T266	L216-V242 HydrophobicContact CB-CG1 4.3Å; L216-V242 HydrophobicContact CD1-CG1 4.38Å; L240-V242 HydrophobicContact CD1-CG1 4Å; L240-V242 HydrophobicContact CD2-CG1 4.34Å; L240-V242 HydrophobicContact CG-CG1 4.04Å; V242-T245 WeakPolarHBondContact O-CG2 3.44Å; V242-T245 PolarHBondContact O-OG1 3.16Å; V242-I247 HydrophobicContact CB-CD1 3.87Å; V242-I247 HydrophobicContact CG1-CD1 4.09Å; V242-I247 HydrophobicContact CG2-CD1 3.84Å; V242-L250 HydrophobicContact CG1-CD2 4.38Å; V242-L250 HydrophobicContact CG2-CD2 4.11Å; V242-K262 VanDerWaalsContact CG2-O 3.27Å; V242-K262 WeakPolarHBondContact CG2-O 3.46Å; V242-K262 PolarHBondContact N-O 3.25Å; V242-A263 HydrophobicContact CG2-CB 3.75Å; V242-T266 PolarHBondContact O-OG1 3.43Å
243	S	97.6	Very high	93.8	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.063	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	145.9	-178.5	-52.5	0	0	0	0	112.2	H217 R218 D241 T245 R264	H217-S243 CarbonylContact C-O 3.58Å; H217-S243 WeakPolarHBondContact CA-O 3.33Å; H217-S243 VanDerWaalsContact CB-O 3.31Å; H217-S243 WeakPolarHBondContact CB-O 3.21Å; R218-S243 PolarHBondContact N-O 2.99Å; D241-S243 WeakPolarHBondContact OD1-CB 3.3Å; D241-S243 PolarHBondContact OD1-N 3.08Å; D241-S243 PolarHBondContact OD1-OG 3.04Å; S243-T245 PolarHBondContact O-N 2.86Å; S243-R264 CarbonylContact C-O 3.33Å; S243-R264 WeakPolarHBondContact CA-O 3.34Å; S243-R264 WeakPolarHBondContact CB-O 3.41Å; S243-R264 PolarHBondContact OG-N 3.43Å; S243-R264 VanDerWaalsContact OG-N 3.08Å
244	Q	96.4	Very high	93.4	Very high	77 Å²	77	37 Å²	37	36%	0.36	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	35.4	178.6	-61.8	169.7	-8.1	0	0	112.5	R218 R264 D265	R218-Q244 WeakPolarHBondContact CA-O 3.49Å; R218-Q244 HydrophobicContact CG-CB 4.24Å; R218-Q244 VanDerWaalsContact CG-OE1 3.24Å; Q244-R264 PolarHBondContact N-O 2.92Å; Q244-D265 HydrophobicContact CG-CB 3.73Å; Q244-D265 VanDerWaalsContact CG-OD2 3.28Å; Q244-D265 WeakPolarHBondContact CG-OD2 3.27Å; Q244-D265 PolarHBondContact NE2-OD2 3.19Å
245	T	97.3	Very high	93.3	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.025	18%	0.183	C	C	.	.			trans	-113.8	178.6	172.3	69.4	0	0	0	0	111	L216 N219 L222 V242 S243	L216-T245 WeakPolarHBondContact O-CG2 3.42Å; N219-T245 HydrophobicContact CB-CG2 4.14Å; L222-T245 HydrophobicContact CD2-CG2 4.41Å; V242-T245 WeakPolarHBondContact O-CG2 3.44Å; V242-T245 PolarHBondContact O-OG1 3.16Å; S243-T245 PolarHBondContact O-N 2.86Å
246	R	96	Very high	93.1	Very high	153 Å²	153	31.1 Å²	31.1	58%	0.577	18%	0.183	S	C	*	.			trans	-118.4	26.3	177.9	-67.2	-173.2	180	178	-0.1	113.5	V220 L222 T223 S268	V220-R246 WeakPolarHBondContact O-CD 3.41Å; V220-R246 WeakPolarHBondContact O-CG 3.4Å; V220-R246 PolarHBondContact O-NE 3.47Å; L222-R246 CarbonylContact O-C 3.57Å; L222-R246 WeakPolarHBondContact O-CA 3.37Å; L222-R246 WeakPolarHBondContact O-CB 3.32Å; L222-R246 PolarHBondContact O-N 3.47Å; T223-R246 WeakPolarHBondContact CA-O 3.26Å; T223-R246 HydrophobicContact CG2-CB 3.93Å; R246-S268 WeakPolarHBondContact CA-OG 3.31Å; R246-S268 WeakPolarHBondContact O-CB 3.4Å; R246-S268 PolarHBondContact O-OG 2.98Å; R246-S268 VanDerWaalsContact O-OG 3.1Å
247	I	96.4	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.2	C	C	.	.			trans	-63.4	139.3	179.3	62.8	168.5	0	0	0	111.7	L222 V242 L250 T266 S268 L269	L222-I247 HydrophobicContact CD2-CG2 4.07Å; L222-I247 HydrophobicContact CG-CG2 3.77Å; L222-I247 PolarHBondContact O-N 3.33Å; V242-I247 HydrophobicContact CB-CD1 3.87Å; V242-I247 HydrophobicContact CG1-CD1 4.09Å; V242-I247 HydrophobicContact CG2-CD1 3.84Å; I247-L250 HydrophobicContact CD1-CD2 3.75Å; I247-L250 HydrophobicContact CD1-CG 4.28Å; I247-T266 HydrophobicContact CG1-CG2 3.76Å; I247-S268 PolarHBondContact N-OG 3.01Å; I247-S268 CarbonylContact O-C 3.56Å; I247-S268 VanDerWaalsContact O-C 3.28Å; I247-S268 VanDerWaalsContact O-CB 3.27Å; I247-S268 WeakPolarHBondContact O-CB 3.16Å; I247-S268 PolarHBondContact O-OG 3.31Å; I247-L269 HydrophobicContact CD1-CD1 4.43Å; I247-L269 HydrophobicContact CD1-CD2 4.42Å; I247-L269 WeakPolarHBondContact O-CA 3.5Å; I247-L269 PolarHBondContact O-N 2.9Å; I247-L269 VanDerWaalsContact O-N 3.15Å
248	T	93	Very high	93.2	Very high	84 Å²	84	33.7 Å²	33.7	52%	0.515	20%	0.2	S	C	.	.	S	Bend	trans	-87.6	-19.9	176.5	53.9	0	0	0	0	113.6	T223	T223-T248 PolarHBondContact O-N 3.46Å
249	S	93.6	Very high	93.1	Very high	53 Å²	53	36.7 Å²	36.7	37%	0.371	21%	0.207	S	C	.	.			trans	-159.6	147.2	-170.2	49.7	0	0	0	0	111
250	L	94.4	Very high	93	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	22%	0.219	C	C	.	.			trans	-91.4	158.5	167.8	-72.4	167.9	0	0	0	111.2	L240 V242 I247 L261 L269 L272 P273 F278	L240-L250 HydrophobicContact CD2-CD2 3.96Å; V242-L250 HydrophobicContact CG1-CD2 4.38Å; V242-L250 HydrophobicContact CG2-CD2 4.11Å; I247-L250 HydrophobicContact CD1-CD2 3.75Å; I247-L250 HydrophobicContact CD1-CG 4.28Å; L250-L261 HydrophobicContact CD1-CD1 4.09Å; L250-L261 HydrophobicContact CD1-CD2 3.99Å; L250-L269 HydrophobicContact CD1-CD2 4.1Å; L250-L269 HydrophobicContact CG-CD1 4.19Å; L250-L269 HydrophobicContact CG-CD2 4.15Å; L250-L272 HydrophobicContact CD1-CD2 4.05Å; L250-P273 HydrophobicContact CB-CG 4.24Å; L250-F278 HydrophobicContact CD1-CZ 4.44Å
251	P	92.7	Very high	93	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.			trans	-56.9	148.9	173	-26.5	37	0	0	0	113.3	M225 A229 F230 M255	M225-P251 HydrophobicContact CE-CG 4.03Å; M225-P251 HydrophobicContact CG-CG 3.97Å; M225-P251 HydrophobicContact SD-CG 3.78Å; A229-P251 HydrophobicContact CB-CG 4.32Å; F230-P251 HydrophobicContact CD2-CB 4.13Å; F230-P251 HydrophobicContact CD2-CG 3.84Å; F230-P251 HydrophobicContact CE2-CG 4.02Å; P251-M255 HydrophobicContact CB-CG 4.38Å; P251-M255 HydrophobicContact CB-SD 4.2Å; P251-M255 HydrophobicContact CG-SD 4.48Å; P251-M255 VanDerWaalsContact O-CG 3.24Å; P251-M255 WeakPolarHBondContact O-CG 3.34Å
252	S	85.7	Confident	92.9	Very high	74 Å²	74	41.4 Å²	41.4	52%	0.517	23%	0.226	S	C	.	.	S	Bend	trans	-99.3	-17.2	175.9	56.9	0	0	0	0	113.1	G227	G227-S252 PolarHBondContact O-N 2.99Å
253	T	88.2	Confident	92.9	Very high	62 Å²	62	41.5 Å²	41.5	38%	0.38	23%	0.227	S	C	.	.	S	Bend	trans	-111.4	158.1	172.5	64	0	0	0	0	111.3	G227 M255	G227-T253 PolarHBondContact O-N 2.95Å; G227-T253 PolarHBondContact O-OG1 2.9Å; T253-M255 PolarHBondContact O-N 3.37Å
254	G	84.8	Confident	92.8	Very high	26 Å²	26	47.7 Å²	47.7	27%	0.268	25%	0.249	S	C	.	.	S	Bend	trans	79.2	-18.9	-177.6	0	0	0	0	0	115.7	G256	G254-G256 PolarHBondContact O-N 2.91Å
255	M	89.5	Confident	92.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-71.7	3.9	-175.7	-54.2	-56.3	-77.4	0	0	115.8	F230 L240 P251 T253 L258 A277 F278	F230-M255 HydrophobicContact CD2-SD 3.75Å; F230-M255 HydrophobicContact CE2-SD 3.94Å; L240-M255 HydrophobicContact CD2-CE 3.61Å; L240-M255 HydrophobicContact CD2-SD 4.45Å; P251-M255 HydrophobicContact CB-CG 4.38Å; P251-M255 HydrophobicContact CB-SD 4.2Å; P251-M255 HydrophobicContact CG-SD 4.48Å; P251-M255 VanDerWaalsContact O-CG 3.24Å; P251-M255 WeakPolarHBondContact O-CG 3.34Å; T253-M255 PolarHBondContact O-N 3.37Å; M255-L258 HydrophobicContact CE-CD2 3.78Å; M255-L258 WeakPolarHBondContact O-CB 3.24Å; M255-L258 PolarHBondContact O-N 3.28Å; M255-A277 CarbonylContact C-O 3.44Å; M255-F278 HydrophobicContact CB-CE1 4.46Å; M255-F278 HydrophobicContact CE-CE1 3.94Å
256	G	86.5	Confident	92.5	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-64	-44.9	-171.3	0	0	0	0	0	114.2	G254 L258 A277 H280	G254-G256 PolarHBondContact O-N 2.91Å; G256-L258 VanDerWaalsContact C-N 3.3Å; G256-L258 PolarHBondContact O-N 2.98Å; G256-A277 WeakPolarHBondContact CA-O 3.32Å; G256-H280 PolarHBondContact O-CD2 3.45Å
257	S	89.8	Confident	92.3	Very high	56 Å²	56	47.7 Å²	47.7	39%	0.392	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-81.5	-2.9	-176	-58	0	0	0	0	114.5	R259	S257-R259 PolarHBondContact O-N 3.26Å
258	L	92.8	Very high	92.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.			trans	-66.5	117.2	-172.7	-168.1	75.5	0	0	0	111.1	P237 L240 M255 G256 K260 L261 F278 H280 L281	P237-L258 HydrophobicContact CG-CD1 4.23Å; P237-L258 VanDerWaalsContact O-CA 3.24Å; P237-L258 WeakPolarHBondContact O-CA 3.08Å; P237-L258 WeakPolarHBondContact O-CD1 3.38Å; P237-L258 PolarHBondContact O-N 2.91Å; L240-L258 HydrophobicContact CB-CD1 3.69Å; L240-L258 HydrophobicContact CB-CD2 4.47Å; M255-L258 HydrophobicContact CE-CD2 3.78Å; M255-L258 WeakPolarHBondContact O-CB 3.24Å; M255-L258 PolarHBondContact O-N 3.28Å; G256-L258 VanDerWaalsContact C-N 3.3Å; G256-L258 PolarHBondContact O-N 2.98Å; L258-K260 WeakPolarHBondContact CD1-O 3.34Å; L258-L261 HydrophobicContact CD2-CB 3.91Å; L258-L261 HydrophobicContact CD2-CD1 4.19Å; L258-F278 HydrophobicContact CD2-CD1 4.09Å; L258-F278 HydrophobicContact CD2-CE1 3.97Å; L258-H280 CarbonylContact O-C 3.51Å; L258-L281 HydrophobicContact CB-CD1 4.47Å; L258-L281 HydrophobicContact CD2-CD1 3.97Å; L258-L281 HydrophobicContact CG-CD1 3.98Å; L258-L281 WeakPolarHBondContact O-CA 3.5Å; L258-L281 PolarHBondContact O-N 2.85Å
259	R	91.8	Very high	92.2	Very high	104 Å²	104	45.8 Å²	45.8	39%	0.392	24%	0.241	S	C	.	.	S	Bend	trans	-94	-26.7	173.1	-66.4	-169.7	-179.4	-113.4	4.1	112.6	T238 S257 I282 T283 E409	T238-R259 HydrophobicContact CG2-CB 4Å; T238-R259 HydrophobicContact CG2-CG 4.1Å; T238-R259 PolarHBondContact O-N 3.49Å; S257-R259 PolarHBondContact O-N 3.26Å; R259-I282 HydrophobicContact CB-CD1 4.26Å; R259-I282 HydrophobicContact CB-CG1 4.36Å; R259-I282 HydrophobicContact CG-CD1 4.24Å; R259-I282 PolarHBondContact O-N 2.97Å; R259-T283 PolarHBondContact O-N 3.31Å; R259-T283 VanDerWaalsContact O-N 3.1Å; R259-E409 IonicContact NH1-OE1 2.64Å
260	K	94.7	Very high	92	Very high	84 Å²	84	46.2 Å²	46.2	37%	0.365	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.9	-178.5	-172.8	147.7	-158.5	159.2	0	113.4	T238 L239 L240 L258 T283	T238-K260 PolarHBondContact O-N 3.16Å; L239-K260 WeakPolarHBondContact CA-O 3.39Å; L239-K260 HydrophobicContact CB-CB 4.34Å; L239-K260 HydrophobicContact CD1-CB 4.02Å; L239-K260 HydrophobicContact CD1-CD 3.82Å; L239-K260 HydrophobicContact CD1-CG 3.86Å; L239-K260 HydrophobicContact CG-CB 3.94Å; L239-K260 HydrophobicContact CG-CG 4.03Å; L240-K260 PolarHBondContact N-O 2.72Å; L258-K260 WeakPolarHBondContact CD1-O 3.34Å; K260-T283 WeakPolarHBondContact CA-O 3.35Å; K260-T283 WeakPolarHBondContact CB-OG1 3.37Å; K260-T283 WeakPolarHBondContact CD-OG1 3.43Å; K260-T283 WeakPolarHBondContact CE-OG1 3.43Å; K260-T283 WeakPolarHBondContact CG-OG1 3.47Å
261	L	96.3	Very high	91.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.9	173.2	179.8	59.9	0	0	0	109.8	L240 L250 L258 F278 L281 T283 A284 D285 L286	L240-L261 HydrophobicContact CB-CD1 4.35Å; L240-L261 HydrophobicContact CD2-CD1 4.18Å; L240-L261 HydrophobicContact CG-CD1 4.38Å; L250-L261 HydrophobicContact CD1-CD1 4.09Å; L250-L261 HydrophobicContact CD1-CD2 3.99Å; L258-L261 HydrophobicContact CD2-CB 3.91Å; L258-L261 HydrophobicContact CD2-CD1 4.19Å; L261-F278 HydrophobicContact CD2-CE1 4.07Å; L261-F278 HydrophobicContact CD2-CZ 4.07Å; L261-L281 HydrophobicContact CB-CD1 3.99Å; L261-T283 PolarHBondContact N-O 3.36Å; L261-A284 WeakPolarHBondContact O-CA 3.35Å; L261-D285 PolarHBondContact O-N 2.97Å; L261-L286 HydrophobicContact CD2-CD2 3.96Å; L261-L286 HydrophobicContact CG-CD2 4.21Å
262	K	96.9	Very high	91.7	Very high	49 Å²	49	49.6 Å²	49.6	21%	0.213	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.2	167	-50.6	158.1	177.7	167	0	110.6	L240 D241 V242 D285	L240-K262 PolarHBondContact O-N 3.46Å; D241-K262 HydrophobicContact CB-CB 4.31Å; D241-K262 HydrophobicContact CB-CD 3.79Å; D241-K262 WeakPolarHBondContact OD2-CD 3.21Å; D241-K262 WeakPolarHBondContact OD2-CE 3.24Å; D241-K262 IonicContact OD2-NZ 3.76Å; D241-K262 PolarHBondContact OD2-NZ 3.43Å; V242-K262 VanDerWaalsContact CG2-O 3.27Å; V242-K262 WeakPolarHBondContact CG2-O 3.46Å; V242-K262 PolarHBondContact N-O 3.25Å; K262-D285 CarbonylContact C-O 3.11Å; K262-D285 VanDerWaalsContact CA-O 3.29Å; K262-D285 WeakPolarHBondContact CA-O 3.13Å; K262-D285 HydrophobicContact CB-CB 4.42Å; K262-D285 HydrophobicContact CG-CB 4.31Å
263	A	96.6	Very high	91.9	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	23%	0.229	C	C	.	.			trans	-154.2	53.8	-179.4	0	0	0	0	0	109.7	V242 L269 D285 L286 T287	V242-A263 HydrophobicContact CG2-CB 3.75Å; A263-L269 HydrophobicContact CB-CD2 4.05Å; A263-D285 PolarHBondContact N-O 2.96Å; A263-L286 HydrophobicContact CB-CD2 4.16Å; A263-L286 CarbonylContact O-C 3.52Å; A263-T287 PolarHBondContact O-N 3.38Å; A263-T287 VanDerWaalsContact O-N 3.1Å; A263-T287 PolarHBondContact O-OG1 3.44Å
264	R	94.6	Very high	91.8	Very high	139 Å²	139	48 Å²	48	53%	0.525	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	145	174.3	-63.9	-179.4	177.7	-178.6	1.4	110.7	S243 Q244 T266 D285	S243-R264 CarbonylContact C-O 3.33Å; S243-R264 WeakPolarHBondContact CA-O 3.34Å; S243-R264 WeakPolarHBondContact CB-O 3.41Å; S243-R264 PolarHBondContact OG-N 3.43Å; S243-R264 VanDerWaalsContact OG-N 3.08Å; Q244-R264 PolarHBondContact N-O 2.92Å; R264-T266 PolarHBondContact O-N 3.44Å; R264-T266 VanDerWaalsContact O-N 3.12Å; R264-T266 PolarHBondContact O-OG1 3.31Å; R264-D285 WeakPolarHBondContact CG-OD1 3.02Å; R264-D285 IonicContact CZ-OD1 2.68Å; R264-D285 IonicContact CZ-OD2 3.34Å; R264-D285 VanDerWaalsContact CZ-OD2 3.27Å; R264-D285 IonicContact NE-OD1 3.72Å; R264-D285 PolarHBondContact NE-OD1 3.07Å; R264-D285 IonicContact NE-OD2 2.74Å; R264-D285 PolarHBondContact NE-OD2 3.49Å; R264-D285 VanDerWaalsContact NE-OD2 3.1Å; R264-D285 IonicContact NH2-OD1 1.85Å; R264-D285 IonicContact NH2-OD2 2.79Å; R264-D285 PolarHBondContact NH2-OD2 2.93Å
265	D	94.4	Very high	91.8	Very high	76 Å²	76	47.5 Å²	47.5	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	17.7	-179.8	-49	-46.7	0	0	0	115.6	Q244 W267 T287	Q244-D265 HydrophobicContact CG-CB 3.73Å; Q244-D265 VanDerWaalsContact CG-OD2 3.28Å; Q244-D265 WeakPolarHBondContact CG-OD2 3.27Å; Q244-D265 PolarHBondContact NE2-OD2 3.19Å; D265-W267 PolarHBondContact O-N 3.37Å; D265-W267 PolarHBondContact O-NE1 3.22Å; D265-T287 PolarHBondContact N-OG1 2.99Å; D265-T287 VanDerWaalsContact N-OG1 3.11Å
266	T	94.5	Very high	91.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	27%	0.269	C	S	.	.			trans	-95.6	58.1	-175.6	-49.1	0	0	0	0	110.5	V242 I247 R264 S268 L269 T287	V242-T266 PolarHBondContact O-OG1 3.43Å; I247-T266 HydrophobicContact CG1-CG2 3.76Å; R264-T266 PolarHBondContact O-N 3.44Å; R264-T266 VanDerWaalsContact O-N 3.12Å; R264-T266 PolarHBondContact O-OG1 3.31Å; T266-S268 PolarHBondContact O-N 3.44Å; T266-L269 HydrophobicContact CG2-CB 3.83Å; T266-L269 WeakPolarHBondContact O-CB 3.31Å; T266-L269 PolarHBondContact O-N 3.44Å; T266-T287 PolarHBondContact N-OG1 3.29Å
267	W	91.4	Very high	91.3	Very high	157 Å²	157	56.3 Å²	56.3	60%	0.595	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-11.7	-172.6	-54	95.9	0	0	0	116.2	D265 T287 Y288	D265-W267 PolarHBondContact O-N 3.37Å; D265-W267 PolarHBondContact O-NE1 3.22Å; W267-T287 HydrophobicContact CD2-CG2 3.56Å; W267-T287 HydrophobicContact CE3-CG2 3.38Å; W267-T287 HydrophobicContact CG-CG2 4.21Å; W267-T287 HydrophobicContact CH2-CG2 3.91Å; W267-T287 HydrophobicContact CZ2-CG2 4.06Å; W267-T287 HydrophobicContact CZ3-CG2 3.57Å; W267-Y288 HydrophobicContact CE3-CE1 4.07Å; W267-Y288 HydrophobicContact CZ3-CE1 4.25Å; W267-Y288 PolarHBondContact O-OH 3.44Å
268	S	92.8	Very high	91.2	Very high	39 Å²	39	53.9 Å²	53.9	27%	0.273	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-24	172.9	49.8	0	0	0	0	113.2	R246 I247 T266 K270	R246-S268 WeakPolarHBondContact CA-OG 3.31Å; R246-S268 WeakPolarHBondContact O-CB 3.4Å; R246-S268 PolarHBondContact O-OG 2.98Å; R246-S268 VanDerWaalsContact O-OG 3.1Å; I247-S268 PolarHBondContact N-OG 3.01Å; I247-S268 CarbonylContact O-C 3.56Å; I247-S268 VanDerWaalsContact O-C 3.28Å; I247-S268 VanDerWaalsContact O-CB 3.27Å; I247-S268 WeakPolarHBondContact O-CB 3.16Å; I247-S268 PolarHBondContact O-OG 3.31Å; T266-S268 PolarHBondContact O-N 3.44Å; S268-K270 PolarHBondContact O-N 3.26Å
269	L	93.8	Very high	90.8	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	27%	0.274	C	S	.	.			trans	-80.3	73.9	-179.3	-176.3	66.1	0	0	0	108.8	I247 L250 A263 T266 K271 L272 H291	I247-L269 HydrophobicContact CD1-CD1 4.43Å; I247-L269 HydrophobicContact CD1-CD2 4.42Å; I247-L269 WeakPolarHBondContact O-CA 3.5Å; I247-L269 PolarHBondContact O-N 2.9Å; I247-L269 VanDerWaalsContact O-N 3.15Å; L250-L269 HydrophobicContact CD1-CD2 4.1Å; L250-L269 HydrophobicContact CG-CD1 4.19Å; L250-L269 HydrophobicContact CG-CD2 4.15Å; A263-L269 HydrophobicContact CB-CD2 4.05Å; T266-L269 HydrophobicContact CG2-CB 3.83Å; T266-L269 WeakPolarHBondContact O-CB 3.31Å; T266-L269 PolarHBondContact O-N 3.44Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 WeakPolarHBondContact CD1-O 3.19Å; L269-L272 HydrophobicContact CD2-CD2 4.26Å; L269-H291 PolarHBondContact O-CE1 2.96Å; L269-H291 VanDerWaalsContact O-CE1 3.31Å
270	K	89.9	Confident	90.5	Very high	61 Å²	61	59.6 Å²	59.6	27%	0.265	28%	0.277	S	S	.	.			trans	-73.2	-27.1	179.1	-67.5	-167.1	179.7	-170.4	0	113.4	S268 H291 I504 D505 T508	S268-K270 PolarHBondContact O-N 3.26Å; K270-H291 PolarHBondContact O-NE2 3.42Å; K270-I504 HydrophobicContact CB-CB 4.49Å; K270-I504 HydrophobicContact CB-CG2 4.33Å; K270-I504 HydrophobicContact CD-CG2 3.95Å; K270-I504 HydrophobicContact CG-CG2 3.87Å; K270-D505 WeakPolarHBondContact CD-OD1 3.25Å; K270-D505 WeakPolarHBondContact CE-OD1 3.14Å; K270-D505 IonicContact NZ-OD1 3.13Å; K270-D505 PolarHBondContact NZ-OD1 3.03Å; K270-T508 PolarHBondContact NZ-OG1 2.86Å
271	K	90.3	Very high	90.2	Very high	75 Å²	75	56.2 Å²	56.2	33%	0.326	26%	0.263	S	S	.	.			trans	-124.2	140.3	-175.7	-56.2	-158.6	179.5	-172	0	112.2	L269 N501 H502 D505	L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 WeakPolarHBondContact CD1-O 3.19Å; K271-N501 VanDerWaalsContact CA-OD1 3.24Å; K271-N501 WeakPolarHBondContact CA-OD1 3.37Å; K271-N501 WeakPolarHBondContact CG-O 3.17Å; K271-H502 PolarHBondContact NZ-CD2 3.49Å; K271-H502 PolarHBondContact NZ-NE2 3.34Å; K271-D505 WeakPolarHBondContact CE-OD2 3.39Å; K271-D505 IonicContact NZ-OD2 2.67Å
272	L	90.6	Very high	89.9	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-94.5	153.3	167.9	-65.7	-174.7	0	0	0	110.9	L250 L269 I275 L286 H291 F295 N501	L250-L272 HydrophobicContact CD1-CD2 4.05Å; L269-L272 HydrophobicContact CD2-CD2 4.26Å; L272-I275 HydrophobicContact CB-CD1 4.32Å; L272-I275 HydrophobicContact CD1-CD1 4.22Å; L272-L286 HydrophobicContact CD1-CD1 4.27Å; L272-H291 HydrophobicContact CD1-CB 3.81Å; L272-H291 HydrophobicContact CG-CB 4.39Å; L272-F295 HydrophobicContact CD1-CE2 3.69Å; L272-F295 HydrophobicContact CD1-CZ 3.96Å; L272-N501 PolarHBondContact N-OD1 3.21Å; L272-N501 PolarHBondContact O-ND2 2.9Å
273	P	89.8	Confident	89.6	Confident	12 Å²	12	58.4 Å²	58.4	8%	0.078	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.9	162.1	167.1	29	-35.3	0	0	0	110.4	L250 I275 F278	L250-P273 HydrophobicContact CB-CG 4.24Å; P273-I275 PolarHBondContact O-N 3.45Å; P273-F278 HydrophobicContact CG-CE2 3.8Å; P273-F278 HydrophobicContact CG-CZ 3.68Å
274	P	86.6	Confident	89.5	Confident	91 Å²	91	58.4 Å²	58.4	59%	0.591	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-54.8	126.9	-177.5	-25	34.2	0	0	0	111.1	K276 A277	P274-K276 PolarHBondContact O-N 2.88Å; P274-A277 VanDerWaalsContact O-CB 3.31Å; P274-A277 WeakPolarHBondContact O-CB 3.47Å; P274-A277 PolarHBondContact O-N 3.38Å
275	I	83.4	Confident	89.5	Confident	15 Å²	15	53.4 Å²	53.4	8%	0.077	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.9	-166	-45.9	-62.6	0	0	0	113.3	L272 P273 A277 F278 F295 L298 F500	L272-I275 HydrophobicContact CB-CD1 4.32Å; L272-I275 HydrophobicContact CD1-CD1 4.22Å; P273-I275 PolarHBondContact O-N 3.45Å; I275-A277 PolarHBondContact O-N 2.98Å; I275-A277 VanDerWaalsContact O-N 3.11Å; I275-F278 HydrophobicContact CD1-CD2 4.42Å; I275-F278 HydrophobicContact CD1-CE2 4.44Å; I275-F278 HydrophobicContact CG2-CD2 4.25Å; I275-F278 PolarHBondContact O-N 3.26Å; I275-F295 HydrophobicContact CD1-CE1 4.31Å; I275-F295 HydrophobicContact CD1-CE2 4.38Å; I275-F295 HydrophobicContact CD1-CZ 4.08Å; I275-F295 HydrophobicContact CG2-CD1 3.54Å; I275-F295 HydrophobicContact CG2-CE1 3.53Å; I275-F295 HydrophobicContact CG2-CG 4.34Å; I275-F295 HydrophobicContact CG2-CZ 4.33Å; I275-L298 HydrophobicContact CB-CD1 3.82Å; I275-L298 HydrophobicContact CG2-CD1 3.36Å; I275-L298 HydrophobicContact CG2-CD2 3.92Å; I275-L298 HydrophobicContact CG2-CG 4.3Å; I275-F500 HydrophobicContact CD1-CE2 4.08Å; I275-F500 HydrophobicContact CD1-CZ 4.45Å; I275-F500 HydrophobicContact CG1-CE2 4.12Å; I275-F500 HydrophobicContact CG1-CZ 4.02Å
276	K	80.9	Confident	89.5	Confident	188 Å²	188	50.1 Å²	50.1	82%	0.817	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.1	-21	168	-64.6	-177.8	179.3	179.3	0	114.6	P274	P274-K276 PolarHBondContact O-N 2.88Å
277	A	85.3	Confident	89.4	Confident	23 Å²	23	51 Å²	51	19%	0.19	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-69.3	-33.7	174.3	0	0	0	0	0	112.1	M255 G256 P274 I275 K279	M255-A277 CarbonylContact C-O 3.44Å; G256-A277 WeakPolarHBondContact CA-O 3.32Å; P274-A277 VanDerWaalsContact O-CB 3.31Å; P274-A277 WeakPolarHBondContact O-CB 3.47Å; P274-A277 PolarHBondContact O-N 3.38Å; I275-A277 PolarHBondContact O-N 2.98Å; I275-A277 VanDerWaalsContact O-N 3.11Å; A277-K279 PolarHBondContact O-N 3.1Å; A277-K279 VanDerWaalsContact O-N 3.11Å
278	F	88.5	Confident	89.2	Confident	5 Å²	5	45 Å²	45	2%	0.022	23%	0.226	C	C	.	.			trans	-85.9	69.7	-179.6	-59.5	-67.5	0	0	0	110.9	L250 M255 L258 L261 P273 I275 H280 L281 F295	L250-F278 HydrophobicContact CD1-CZ 4.44Å; M255-F278 HydrophobicContact CB-CE1 4.46Å; M255-F278 HydrophobicContact CE-CE1 3.94Å; L258-F278 HydrophobicContact CD2-CD1 4.09Å; L258-F278 HydrophobicContact CD2-CE1 3.97Å; L261-F278 HydrophobicContact CD2-CE1 4.07Å; L261-F278 HydrophobicContact CD2-CZ 4.07Å; P273-F278 HydrophobicContact CG-CE2 3.8Å; P273-F278 HydrophobicContact CG-CZ 3.68Å; I275-F278 HydrophobicContact CD1-CD2 4.42Å; I275-F278 HydrophobicContact CD1-CE2 4.44Å; I275-F278 HydrophobicContact CG2-CD2 4.25Å; I275-F278 PolarHBondContact O-N 3.26Å; F278-H280 PolarHBondContact O-N 2.88Å; F278-L281 HydrophobicContact CB-CB 3.94Å; F278-L281 HydrophobicContact CB-CD2 4.15Å; F278-L281 HydrophobicContact CD1-CD2 4.21Å; F278-L281 HydrophobicContact CG-CD2 4.17Å; F278-F295 HydrophobicContact CB-CE1 4.15Å; F278-F295 AromaticContact CD2-CE1 3.72Å; F278-F295 HydrophobicContact CD2-CE1 3.72Å; F278-F295 AromaticContact CD2-CZ 3.89Å; F278-F295 HydrophobicContact CD2-CZ 3.89Å; F278-F295 HydrophobicContact CE2-CE1 4.36Å; F278-F295 HydrophobicContact CE2-CZ 4.06Å; F278-F295 HydrophobicContact CG-CE1 4.09Å; F278-F295 HydrophobicContact CG-CZ 4.49Å
279	K	83.2	Confident	88.7	Confident	124 Å²	124	45 Å²	45	54%	0.539	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.5	-171.8	-71.5	-176.6	176.4	-178.4	0	114.1	A277 R302	A277-K279 PolarHBondContact O-N 3.1Å; A277-K279 VanDerWaalsContact O-N 3.11Å; K279-R302 PolarHBondContact O-NH1 3.43Å; K279-R302 PolarHBondContact O-NH2 3Å
280	H	86.6	Confident	88.3	Confident	100 Å²	100	45 Å²	45	46%	0.463	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	21.4	-170.6	-58.5	-81.3	0	0	0	113.1	G256 L258 F278 I282	G256-H280 PolarHBondContact O-CD2 3.45Å; L258-H280 CarbonylContact O-C 3.51Å; F278-H280 PolarHBondContact O-N 2.88Å; H280-I282 PolarHBondContact O-N 2.93Å
281	L	88.6	Confident	88.1	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.063	21%	0.213	C	C	.	.			trans	-71.7	128.8	-178.1	-168.9	74.2	0	0	0	111	L258 L261 F278 A284 F295 V414	L258-L281 HydrophobicContact CB-CD1 4.47Å; L258-L281 HydrophobicContact CD2-CD1 3.97Å; L258-L281 HydrophobicContact CG-CD1 3.98Å; L258-L281 WeakPolarHBondContact O-CA 3.5Å; L258-L281 PolarHBondContact O-N 2.85Å; L261-L281 HydrophobicContact CB-CD1 3.99Å; F278-L281 HydrophobicContact CB-CB 3.94Å; F278-L281 HydrophobicContact CB-CD2 4.15Å; F278-L281 HydrophobicContact CD1-CD2 4.21Å; F278-L281 HydrophobicContact CG-CD2 4.17Å; L281-A284 HydrophobicContact CD2-CB 4.04Å; L281-F295 HydrophobicContact CD2-CD1 4.04Å; L281-F295 HydrophobicContact CD2-CE1 3.36Å; L281-F295 HydrophobicContact CD2-CZ 3.77Å; L281-V414 HydrophobicContact CD2-CG1 4.1Å; L281-V414 HydrophobicContact CG-CG1 4.12Å; L281-V414 WeakPolarHBondContact O-CG2 3.32Å
282	I	89.1	Confident	88	Confident	75 Å²	75	38.9 Å²	38.9	39%	0.385	20%	0.2	S	C	.	.			trans	-109	-39.3	-178.5	-52.3	177.6	0	0	0	110.4	R259 H280 V414 E415	R259-I282 HydrophobicContact CB-CD1 4.26Å; R259-I282 HydrophobicContact CB-CG1 4.36Å; R259-I282 HydrophobicContact CG-CD1 4.24Å; R259-I282 PolarHBondContact O-N 2.97Å; H280-I282 PolarHBondContact O-N 2.93Å; I282-V414 CarbonylContact O-C 3.34Å; I282-V414 WeakPolarHBondContact O-CA 3.47Å; I282-E415 PolarHBondContact O-N 2.93Å
283	T	91.4	Very high	87.6	Confident	21 Å²	21	38.9 Å²	38.9	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135	-176.7	57.2	0	0	0	0	111.6	R259 K260 L261 E415	R259-T283 PolarHBondContact O-N 3.31Å; R259-T283 VanDerWaalsContact O-N 3.1Å; K260-T283 WeakPolarHBondContact CA-O 3.35Å; K260-T283 WeakPolarHBondContact CB-OG1 3.37Å; K260-T283 WeakPolarHBondContact CD-OG1 3.43Å; K260-T283 WeakPolarHBondContact CE-OG1 3.43Å; K260-T283 WeakPolarHBondContact CG-OG1 3.47Å; L261-T283 PolarHBondContact N-O 3.36Å; T283-E415 WeakPolarHBondContact CA-O 3.43Å; T283-E415 HydrophobicContact CG2-CB 4.21Å
284	A	93.9	Very high	87.1	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	106.2	-175.5	0	0	0	0	0	111.1	L261 L281 L286 F295 V414 E415 C416 A417	L261-A284 WeakPolarHBondContact O-CA 3.35Å; L281-A284 HydrophobicContact CD2-CB 4.04Å; A284-L286 HydrophobicContact CB-CD1 4.43Å; A284-L286 HydrophobicContact CB-CG 4.42Å; A284-F295 HydrophobicContact CB-CE2 4.41Å; A284-V414 HydrophobicContact CB-CG1 4.07Å; A284-E415 PolarHBondContact N-O 3.35Å; A284-C416 HydrophobicContact CB-CB 4.22Å; A284-C416 VanDerWaalsContact O-CA 3.24Å; A284-C416 WeakPolarHBondContact O-CA 3.14Å; A284-A417 PolarHBondContact O-N 2.96Å
285	D	95	Very high	86.8	Confident	34 Å²	34	34.6 Å²	34.6	18%	0.182	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	102.8	-174.2	-162.5	-39.7	0	0	0	109.3	L261 K262 A263 R264	L261-D285 PolarHBondContact O-N 2.97Å; K262-D285 CarbonylContact C-O 3.11Å; K262-D285 VanDerWaalsContact CA-O 3.29Å; K262-D285 WeakPolarHBondContact CA-O 3.13Å; K262-D285 HydrophobicContact CB-CB 4.42Å; K262-D285 HydrophobicContact CG-CB 4.31Å; A263-D285 PolarHBondContact N-O 2.96Å; R264-D285 WeakPolarHBondContact CG-OD1 3.02Å; R264-D285 IonicContact CZ-OD1 2.68Å; R264-D285 IonicContact CZ-OD2 3.34Å; R264-D285 VanDerWaalsContact CZ-OD2 3.27Å; R264-D285 IonicContact NE-OD1 3.72Å; R264-D285 PolarHBondContact NE-OD1 3.07Å; R264-D285 IonicContact NE-OD2 2.74Å; R264-D285 PolarHBondContact NE-OD2 3.49Å; R264-D285 VanDerWaalsContact NE-OD2 3.1Å; R264-D285 IonicContact NH2-OD1 1.85Å; R264-D285 IonicContact NH2-OD2 2.79Å; R264-D285 PolarHBondContact NH2-OD2 2.93Å
286	L	93.8	Very high	86.4	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.195	C	C	.	.			trans	-123.1	171.3	-159.1	-55.1	179.7	0	0	0	112.3	L261 A263 L272 A284 H291 F295 A417 P418	L261-L286 HydrophobicContact CD2-CD2 3.96Å; L261-L286 HydrophobicContact CG-CD2 4.21Å; A263-L286 HydrophobicContact CB-CD2 4.16Å; A263-L286 CarbonylContact O-C 3.52Å; L272-L286 HydrophobicContact CD1-CD1 4.27Å; A284-L286 HydrophobicContact CB-CD1 4.43Å; A284-L286 HydrophobicContact CB-CG 4.42Å; L286-H291 HydrophobicContact CD1-CB 3.52Å; L286-F295 HydrophobicContact CD1-CE2 4.11Å; L286-A417 PolarHBondContact N-O 3.02Å; L286-P418 WeakPolarHBondContact O-CD 3.5Å
287	T	91.6	Very high	85.4	Confident	19 Å²	19	34.8 Å²	34.8	12%	0.117	18%	0.176	C	C	.	.	S	Bend	trans	-86.2	-29	175.6	-62	0	0	0	0	112.8	A263 D265 T266 W267	A263-T287 PolarHBondContact O-N 3.38Å; A263-T287 VanDerWaalsContact O-N 3.1Å; A263-T287 PolarHBondContact O-OG1 3.44Å; D265-T287 PolarHBondContact N-OG1 2.99Å; D265-T287 VanDerWaalsContact N-OG1 3.11Å; T266-T287 PolarHBondContact N-OG1 3.29Å; W267-T287 HydrophobicContact CD2-CG2 3.56Å; W267-T287 HydrophobicContact CE3-CG2 3.38Å; W267-T287 HydrophobicContact CG-CG2 4.21Å; W267-T287 HydrophobicContact CH2-CG2 3.91Å; W267-T287 HydrophobicContact CZ2-CG2 4.06Å; W267-T287 HydrophobicContact CZ3-CG2 3.57Å
288	Y	87.1	Confident	84.2	Confident	31 Å²	31	36.1 Å²	36.1	12%	0.122	18%	0.18	C	C	.	.			trans	-118	121.7	-170.8	-67.8	-66.8	0	0	0	112.3	W267 S290 H291 I504	W267-Y288 HydrophobicContact CE3-CE1 4.07Å; W267-Y288 HydrophobicContact CZ3-CE1 4.25Å; W267-Y288 PolarHBondContact O-OH 3.44Å; Y288-S290 PolarHBondContact O-N 2.98Å; Y288-S290 VanDerWaalsContact O-N 3.16Å; Y288-H291 AromaticContact CD2-CE1 3.81Å; Y288-H291 WeakPolarHBondContact O-CB 3.35Å; Y288-H291 PolarHBondContact O-N 3.05Å; Y288-I504 HydrophobicContact CD1-CD1 3.45Å; Y288-I504 VanDerWaalsContact CD1-CD1 3.45Å; Y288-I504 HydrophobicContact CD1-CG1 3.88Å; Y288-I504 HydrophobicContact CD1-CG2 4.44Å; Y288-I504 HydrophobicContact CD2-CG1 4.29Å; Y288-I504 HydrophobicContact CE1-CD1 3.94Å; Y288-I504 HydrophobicContact CE1-CG1 4.22Å; Y288-I504 HydrophobicContact CE1-CG2 3.93Å; Y288-I504 HydrophobicContact CE2-CG2 4.37Å; Y288-I504 HydrophobicContact CG-CD1 3.88Å; Y288-I504 HydrophobicContact CG-CG1 3.91Å
289	P	84.3	Confident	82.6	Confident	40 Å²	40	40.9 Å²	40.9	26%	0.26	20%	0.2	S	C	.	.	H	α-helix	trans	-58.5	-30.7	177.9	-17.9	24.7	0	0	0	113.3	H291 C292 P418	P289-H291 PolarHBondContact O-N 2.79Å; P289-C292 WeakPolarHBondContact O-CB 3.35Å; P289-C292 PolarHBondContact O-N 2.89Å; P289-C292 VanDerWaalsContact O-N 3.17Å; P289-P418 HydrophobicContact CB-CG 4.2Å; P289-P418 HydrophobicContact CG-CB 4.31Å; P289-P418 HydrophobicContact CG-CG 3.68Å
290	S	83.7	Confident	81	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-29.1	178.2	65	0	0	0	0	112.8	Y288 C292 C293 F500	Y288-S290 PolarHBondContact O-N 2.98Å; Y288-S290 VanDerWaalsContact O-N 3.16Å; S290-C292 VanDerWaalsContact C-N 3.33Å; S290-C292 PolarHBondContact O-N 2.99Å; S290-C293 VanDerWaalsContact O-CB 3.31Å; S290-C293 WeakPolarHBondContact O-CB 3.14Å; S290-C293 PolarHBondContact O-N 3.33Å; S290-F500 WeakPolarHBondContact O-CB 3.49Å
291	H	87.3	Confident	79	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-34.2	178.1	-69.2	171.6	0	0	0	112.5	L269 K270 L272 L286 Y288 P289 C293 G294 F295	L269-H291 PolarHBondContact O-CE1 2.96Å; L269-H291 VanDerWaalsContact O-CE1 3.31Å; K270-H291 PolarHBondContact O-NE2 3.42Å; L272-H291 HydrophobicContact CD1-CB 3.81Å; L272-H291 HydrophobicContact CG-CB 4.39Å; L286-H291 HydrophobicContact CD1-CB 3.52Å; Y288-H291 AromaticContact CD2-CE1 3.81Å; Y288-H291 WeakPolarHBondContact O-CB 3.35Å; Y288-H291 PolarHBondContact O-N 3.05Å; P289-H291 PolarHBondContact O-N 2.79Å; H291-C293 PolarHBondContact O-N 3.44Å; H291-G294 PolarHBondContact O-N 3.03Å; H291-F295 WeakPolarHBondContact O-CD2 3.26Å
292	C	87.6	Confident	77.1	Confident	7 Å²	7	52.3 Å²	52.3	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-27.2	176.5	-67.7	0	0	0	0	113.2	P289 S290 G294 F295 K296 C416 P418 P420	P289-C292 WeakPolarHBondContact O-CB 3.35Å; P289-C292 PolarHBondContact O-N 2.89Å; P289-C292 VanDerWaalsContact O-N 3.17Å; S290-C292 VanDerWaalsContact C-N 3.33Å; S290-C292 PolarHBondContact O-N 2.99Å; C292-G294 PolarHBondContact O-N 3.33Å; C292-F295 PolarHBondContact O-N 3.23Å; C292-K296 PolarHBondContact O-N 3.02Å; C292-C416 WeakPolarHBondContact CA-SG 3.24Å; C292-C416 HydrophobicContact CB-CB 3.6Å; C292-C416 WeakPolarHBondContact CB-SG 3.32Å; C292-C416 WeakPolarHBondContact SG-CB 3.02Å; C292-C416 CovalentContact SG-SG 2.04Å; C292-C416 PolarHBondContact SG-SG 3.36Å; C292-P418 PolarHBondContact SG-O 3.18Å; C292-P420 HydrophobicContact CB-CG 4.15Å
293	C	82.6	Confident	75.1	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-22.5	172.9	-62.3	0	0	0	0	114.1	S290 H291 N297 P420 C426 F500	S290-C293 VanDerWaalsContact O-CB 3.31Å; S290-C293 WeakPolarHBondContact O-CB 3.14Å; S290-C293 PolarHBondContact O-N 3.33Å; H291-C293 PolarHBondContact O-N 3.44Å; C293-N297 PolarHBondContact O-ND2 3.32Å; C293-P420 VanDerWaalsContact SG-CG 3.59Å; C293-C426 WeakPolarHBondContact CA-SG 3.31Å; C293-C426 HydrophobicContact CB-CB 3.41Å; C293-C426 VanDerWaalsContact CB-CB 3.41Å; C293-C426 WeakPolarHBondContact CB-SG 3.43Å; C293-C426 WeakPolarHBondContact SG-CA 3.43Å; C293-C426 WeakPolarHBondContact SG-CB 2.94Å; C293-C426 CovalentContact SG-SG 2.04Å; C293-C426 PolarHBondContact SG-SG 2.8Å; C293-F500 HydrophobicContact CB-CB 4.17Å
294	G	78.7	Confident	72.8	Confident	4 Å²	4	54.1 Å²	54.1	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-49.6	170.7	0	0	0	0	0	111.4	H291 C292 N297 L298	H291-G294 PolarHBondContact O-N 3.03Å; C292-G294 PolarHBondContact O-N 3.33Å; G294-N297 PolarHBondContact O-N 2.75Å; G294-L298 WeakPolarHBondContact O-CD1 3.38Å
295	F	81.2	Confident	70.5	Confident	9 Å²	9	61.3 Å²	61.3	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-43.6	-176.3	-63	-78.8	0	0	0	113.1	L272 I275 F278 L281 A284 L286 H291 C292 N297 L298 V414	L272-F295 HydrophobicContact CD1-CE2 3.69Å; L272-F295 HydrophobicContact CD1-CZ 3.96Å; I275-F295 HydrophobicContact CD1-CE1 4.31Å; I275-F295 HydrophobicContact CD1-CE2 4.38Å; I275-F295 HydrophobicContact CD1-CZ 4.08Å; I275-F295 HydrophobicContact CG2-CD1 3.54Å; I275-F295 HydrophobicContact CG2-CE1 3.53Å; I275-F295 HydrophobicContact CG2-CG 4.34Å; I275-F295 HydrophobicContact CG2-CZ 4.33Å; F278-F295 HydrophobicContact CB-CE1 4.15Å; F278-F295 AromaticContact CD2-CE1 3.72Å; F278-F295 HydrophobicContact CD2-CE1 3.72Å; F278-F295 AromaticContact CD2-CZ 3.89Å; F278-F295 HydrophobicContact CD2-CZ 3.89Å; F278-F295 HydrophobicContact CE2-CE1 4.36Å; F278-F295 HydrophobicContact CE2-CZ 4.06Å; F278-F295 HydrophobicContact CG-CE1 4.09Å; F278-F295 HydrophobicContact CG-CZ 4.49Å; L281-F295 HydrophobicContact CD2-CD1 4.04Å; L281-F295 HydrophobicContact CD2-CE1 3.36Å; L281-F295 HydrophobicContact CD2-CZ 3.77Å; A284-F295 HydrophobicContact CB-CE2 4.41Å; L286-F295 HydrophobicContact CD1-CE2 4.11Å; H291-F295 WeakPolarHBondContact O-CD2 3.26Å; C292-F295 PolarHBondContact O-N 3.23Å; F295-N297 PolarHBondContact O-N 3.34Å; F295-L298 PolarHBondContact O-N 3.43Å; F295-V414 HydrophobicContact CB-CB 4.05Å; F295-V414 HydrophobicContact CB-CG1 4.43Å; F295-V414 HydrophobicContact CB-CG2 4.24Å; F295-V414 HydrophobicContact CD1-CG1 4.25Å; F295-V414 HydrophobicContact CD1-CG2 4.33Å; F295-V414 HydrophobicContact CG-CB 4.48Å; F295-V414 HydrophobicContact CG-CG1 4.36Å
296	K	73.4	Confident	68.2	Low	126 Å²	126	64.9 Å²	64.9	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-54.9	-29.9	179	-166	166.8	-167.9	168	0	113.4	C292	C292-K296 PolarHBondContact O-N 3.02Å
297	N	59.8	Low	66	Low	81 Å²	81	69.2 Å²	69.2	43%	0.433	34%	0.34	S	S	.	.	H	α-helix	trans	-80.5	-10.5	-179.3	-82.3	-68.1	0	0	0	115	C293 G294 F295	C293-N297 PolarHBondContact O-ND2 3.32Å; G294-N297 PolarHBondContact O-N 2.75Å; F295-N297 PolarHBondContact O-N 3.34Å
298	L	61.8	Low	64	Low	51 Å²	51	75.9 Å²	75.9	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-73.8	-39	177.6	-84	80.1	0	0	0	112.2	I275 G294 F295 K300 K301 R302	I275-L298 HydrophobicContact CB-CD1 3.82Å; I275-L298 HydrophobicContact CG2-CD1 3.36Å; I275-L298 HydrophobicContact CG2-CD2 3.92Å; I275-L298 HydrophobicContact CG2-CG 4.3Å; G294-L298 WeakPolarHBondContact O-CD1 3.38Å; F295-L298 PolarHBondContact O-N 3.43Å; L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 2.87Å; L298-K301 WeakPolarHBondContact O-CA 3.17Å; L298-K301 PolarHBondContact O-N 2.93Å; L298-R302 PolarHBondContact O-N 3.14Å
299	K	53.5	Low	62.4	Low	104 Å²	104	78.2 Å²	78.2	45%	0.452	38%	0.378	S	S	.	.	H	α-helix	trans	-56.4	-41.8	179.8	-167.1	167.4	176.7	178.5	0	111.4	K301 R302 G303 E413	K299-K301 PolarHBondContact O-N 2.92Å; K299-R302 PolarHBondContact O-N 3.28Å; K299-G303 PolarHBondContact O-N 3.23Å; K299-E413 HydrophobicContact CD-CB 4.34Å; K299-E413 HydrophobicContact CD-CG 4.35Å; K299-E413 WeakPolarHBondContact CD-OE2 3.39Å; K299-E413 IonicContact NZ-OE2 3.46Å; K299-E413 PolarHBondContact NZ-OE2 3.18Å
300	K	49.1	Very low	60.9	Low	167 Å²	167	81 Å²	81	73%	0.726	39%	0.389	S	S	*	.	H	α-helix	trans	-64.3	-19	175.2	-166	169.3	-175.5	174.1	0	114.5	L298 C304	L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 2.87Å; K300-C304 WeakPolarHBondContact O-CB 3.44Å
301	K	45.8	Very low	59.3	Low	180 Å²	180	84.2 Å²	84.2	78%	0.783	41%	0.411	S	S	*	.	H	α-helix	trans	-100	-28.9	174.6	-76.5	-176	176.2	175.5	0	114	L298 K299	L298-K301 WeakPolarHBondContact O-CA 3.17Å; L298-K301 PolarHBondContact O-N 2.93Å; K299-K301 PolarHBondContact O-N 2.92Å
302	R	48.5	Very low	57.6	Low	129 Å²	129	87.4 Å²	87.4	49%	0.487	43%	0.428	S	S	.	.	H	α-helix	trans	-72.4	-62.3	172.8	-85.1	-179	162.9	158	-7.7	111	K279 L298 K299 C304	K279-R302 PolarHBondContact O-NH1 3.43Å; K279-R302 PolarHBondContact O-NH2 3Å; L298-R302 PolarHBondContact O-N 3.14Å; K299-R302 PolarHBondContact O-N 3.28Å; R302-C304 PolarHBondContact O-N 2.65Å
303	G	45.9	Very low	56	Low	37 Å²	37	92 Å²	92	38%	0.381	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	12.1	-170	0	0	0	0	0	117.1	K299 E307	K299-G303 PolarHBondContact O-N 3.23Å; G303-E307 WeakPolarHBondContact CA-OE2 3.5Å
304	C	44.7	Very low	54.4	Low	97 Å²	97	96.1 Å²	96.1	66%	0.655	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-13.2	-178.3	-162.6	0	0	0	0	113.8	K300 R302	K300-C304 WeakPolarHBondContact O-CB 3.44Å; R302-C304 PolarHBondContact O-N 2.65Å
305	F	44.8	Very low	52.8	Low	153 Å²	153	98.7 Å²	98.7	67%	0.671	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-37.4	-176.6	-164	-97.5	0	0	0	114.7	I309	F305-I309 VanDerWaalsContact O-CD1 3.25Å; F305-I309 WeakPolarHBondContact O-CD1 3.48Å; F305-I309 WeakPolarHBondContact O-CG1 3.34Å
306	L	47	Very low	51	Low	109 Å²	109	104.7 Å²	104.7	57%	0.571	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-48.8	-175.5	-145.5	75.3	0	0	0	112.8	Y308 I309 I310	L306-Y308 PolarHBondContact O-N 3.41Å; L306-I309 PolarHBondContact O-N 3Å; L306-I310 HydrophobicContact CD2-CD1 4.09Å; L306-I310 HydrophobicContact CG-CD1 3.85Å; L306-I310 WeakPolarHBondContact O-CG1 3.22Å; L306-I310 PolarHBondContact O-N 3.26Å
307	E	46.7	Very low	49.6	Very low	99 Å²	99	106.5 Å²	106.5	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-43.8	-179.8	-72.3	156.6	-151.9	0	0	111.7	G303 I309 I310 C311	G303-E307 WeakPolarHBondContact CA-OE2 3.5Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 3.05Å; E307-I310 PolarHBondContact O-N 2.98Å; E307-C311 VanDerWaalsContact O-CB 3.31Å; E307-C311 WeakPolarHBondContact O-CB 3.13Å; E307-C311 PolarHBondContact O-N 3.2Å; E307-C311 PolarHBondContact O-SG 2.73Å; E307-C311 VanDerWaalsContact O-SG 3.4Å
308	Y	50	Low	48.5	Very low	159 Å²	159	106.7 Å²	106.7	62%	0.624	53%	0.53	S	S	*	.	H	α-helix	trans	-60	-38.4	175.4	-179	-100.6	0	0	0	113.2	L306 N312	L306-Y308 PolarHBondContact O-N 3.41Å; Y308-N312 WeakPolarHBondContact O-CB 3.41Å; Y308-N312 PolarHBondContact O-N 3.41Å
309	I	52.9	Low	47.5	Very low	80 Å²	80	111.3 Å²	111.3	41%	0.41	55%	0.549	S	S	.	.	H	α-helix	trans	-74.6	-46.6	179.8	-65.1	-178.5	0	0	0	110.4	F305 L306 E307 N312 L313	F305-I309 VanDerWaalsContact O-CD1 3.25Å; F305-I309 WeakPolarHBondContact O-CD1 3.48Å; F305-I309 WeakPolarHBondContact O-CG1 3.34Å; L306-I309 PolarHBondContact O-N 3Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 3.05Å; I309-N312 PolarHBondContact O-N 3.5Å; I309-L313 HydrophobicContact CG2-CD1 3.86Å; I309-L313 VanDerWaalsContact O-CD1 3.24Å; I309-L313 WeakPolarHBondContact O-CD1 3.42Å; I309-L313 PolarHBondContact O-N 3.28Å
310	I	54.9	Low	46.8	Very low	97 Å²	97	114.8 Å²	114.8	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-66.8	-47.1	-176.8	-67.3	173	0	0	0	111.5	L306 E307 N312 L313 T314	L306-I310 HydrophobicContact CD2-CD1 4.09Å; L306-I310 HydrophobicContact CG-CD1 3.85Å; L306-I310 WeakPolarHBondContact O-CG1 3.22Å; L306-I310 PolarHBondContact O-N 3.26Å; E307-I310 PolarHBondContact O-N 2.98Å; I310-N312 VanDerWaalsContact C-N 3.33Å; I310-N312 PolarHBondContact O-N 3.02Å; I310-L313 PolarHBondContact O-N 3.38Å; I310-T314 PolarHBondContact O-N 3.03Å; I310-T314 PolarHBondContact O-OG1 2.81Å
311	C	49.9	Very low	46.2	Very low	72 Å²	72	113.8 Å²	113.8	49%	0.486	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-35.5	179.3	-66.8	0	0	0	0	112.3	E307 T314 A315	E307-C311 VanDerWaalsContact O-CB 3.31Å; E307-C311 WeakPolarHBondContact O-CB 3.13Å; E307-C311 PolarHBondContact O-N 3.2Å; E307-C311 PolarHBondContact O-SG 2.73Å; E307-C311 VanDerWaalsContact O-SG 3.4Å; C311-T314 WeakPolarHBondContact CA-OG1 3.26Å; C311-T314 PolarHBondContact O-N 2.84Å; C311-T314 PolarHBondContact O-OG1 3.21Å; C311-T314 VanDerWaalsContact O-OG1 3.05Å; C311-A315 PolarHBondContact O-N 3.21Å
312	N	50.5	Low	45.8	Very low	68 Å²	68	112.4 Å²	112.4	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-74.6	-31.7	177.2	-159.8	7.5	0	0	0	112	Y308 I309 I310 A315 F316	Y308-N312 WeakPolarHBondContact O-CB 3.41Å; Y308-N312 PolarHBondContact O-N 3.41Å; I309-N312 PolarHBondContact O-N 3.5Å; I310-N312 VanDerWaalsContact C-N 3.33Å; I310-N312 PolarHBondContact O-N 3.02Å; N312-A315 PolarHBondContact O-N 3Å; N312-F316 PolarHBondContact O-N 2.83Å
313	L	53.8	Low	45.1	Very low	105 Å²	105	116.9 Å²	116.9	55%	0.55	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-39.8	170	-101.2	84.6	0	0	0	112.7	I309 I310 F316 Y317	I309-L313 HydrophobicContact CG2-CD1 3.86Å; I309-L313 VanDerWaalsContact O-CD1 3.24Å; I309-L313 WeakPolarHBondContact O-CD1 3.42Å; I309-L313 PolarHBondContact O-N 3.28Å; I310-L313 PolarHBondContact O-N 3.38Å; L313-F316 PolarHBondContact O-N 3.36Å; L313-Y317 PolarHBondContact O-N 3.49Å
314	T	49.1	Very low	44.7	Very low	91 Å²	91	120 Å²	120	56%	0.558	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-39.9	175.5	22.7	0	0	0	0	111.7	I310 C311 F316 Y317 D318	I310-T314 PolarHBondContact O-N 3.03Å; I310-T314 PolarHBondContact O-OG1 2.81Å; C311-T314 WeakPolarHBondContact CA-OG1 3.26Å; C311-T314 PolarHBondContact O-N 2.84Å; C311-T314 PolarHBondContact O-OG1 3.21Å; C311-T314 VanDerWaalsContact O-OG1 3.05Å; T314-F316 VanDerWaalsContact C-N 3.33Å; T314-F316 PolarHBondContact O-N 3.35Å; T314-Y317 PolarHBondContact O-N 3.38Å; T314-D318 PolarHBondContact O-N 2.83Å; T314-D318 VanDerWaalsContact O-N 3.13Å
315	A	46.1	Very low	44.1	Very low	59 Å²	59	122 Å²	122	49%	0.488	59%	0.594	S	S	.	*	H	α-helix	trans	-60.8	-39.1	171.8	0	0	0	0	0	112.7	C311 N312 H319	C311-A315 PolarHBondContact O-N 3.21Å; N312-A315 PolarHBondContact O-N 3Å; A315-H319 PolarHBondContact O-N 3.24Å
316	F	43.6	Very low	43.4	Very low	135 Å²	135	117.7 Å²	117.7	59%	0.592	59%	0.593	S	S	*	*	H	α-helix	trans	-66.8	-36.1	174.5	-113.1	-91.2	0	0	0	113.4	N312 L313 T314 Y320	N312-F316 PolarHBondContact O-N 2.83Å; L313-F316 PolarHBondContact O-N 3.36Å; T314-F316 VanDerWaalsContact C-N 3.33Å; T314-F316 PolarHBondContact O-N 3.35Å; F316-Y320 PolarHBondContact O-N 3.06Å
317	Y	42.5	Very low	42.7	Very low	163 Å²	163	117.9 Å²	117.9	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-70.7	-43.2	-179.5	-112.3	-93.5	0	0	0	113	L313 T314 H319 Y320 H321	L313-Y317 PolarHBondContact O-N 3.49Å; T314-Y317 PolarHBondContact O-N 3.38Å; Y317-H319 VanDerWaalsContact C-N 3.25Å; Y317-H319 PolarHBondContact O-N 3.34Å; Y317-Y320 PolarHBondContact O-N 2.8Å; Y317-Y320 VanDerWaalsContact O-N 3.14Å; Y317-H321 PolarHBondContact O-N 2.98Å; Y317-H321 VanDerWaalsContact O-N 3.09Å
318	D	36.8	Very low	41.7	Very low	86 Å²	86	121.4 Å²	121.4	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-61.4	-35.8	175.7	-178.5	62.2	0	0	0	111.7	T314 Y320 H321 K322	T314-D318 PolarHBondContact O-N 2.83Å; T314-D318 VanDerWaalsContact O-N 3.13Å; D318-Y320 VanDerWaalsContact C-N 3.3Å; D318-Y320 PolarHBondContact O-N 3.48Å; D318-H321 PolarHBondContact O-N 3.38Å; D318-K322 PolarHBondContact O-N 3.46Å; D318-K322 IonicContact OD1-NZ 3.23Å; D318-K322 PolarHBondContact OD1-NZ 3.42Å; D318-K322 IonicContact OD2-NZ 2.82Å; D318-K322 PolarHBondContact OD2-NZ 3.39Å
319	H	41.9	Very low	40.6	Very low	147 Å²	147	120.7 Å²	120.7	68%	0.681	63%	0.629	S	S	*	*	H	α-helix	trans	-70.9	-21.7	177.4	-152.7	-41.7	0	0	0	113.8	A315 Y317	A315-H319 PolarHBondContact O-N 3.24Å; Y317-H319 VanDerWaalsContact C-N 3.25Å; Y317-H319 PolarHBondContact O-N 3.34Å
320	Y	39.1	Very low	39.1	Very low	178 Å²	178	123 Å²	123	70%	0.698	65%	0.647	S	S	*	*	H	α-helix	trans	-86.2	-39.6	173	-103.3	-93.2	0	0	0	112.7	F316 Y317 D318 K322 R323	F316-Y320 PolarHBondContact O-N 3.06Å; Y317-Y320 PolarHBondContact O-N 2.8Å; Y317-Y320 VanDerWaalsContact O-N 3.14Å; D318-Y320 VanDerWaalsContact C-N 3.3Å; D318-Y320 PolarHBondContact O-N 3.48Å; Y320-K322 PolarHBondContact O-N 2.97Å; Y320-R323 PolarHBondContact O-N 3.06Å
321	H	36.8	Very low	37.9	Very low	145 Å²	145	124.2 Å²	124.2	67%	0.671	66%	0.661	S	S	*	*	H	α-helix	trans	-70.8	-26.8	-178.3	-104	-80.4	0	0	0	114.2	Y317 D318 R323	Y317-H321 PolarHBondContact O-N 2.98Å; Y317-H321 VanDerWaalsContact O-N 3.09Å; D318-H321 PolarHBondContact O-N 3.38Å; H321-R323 PolarHBondContact O-N 2.94Å
322	K	36	Very low	36.7	Very low	152 Å²	152	127.1 Å²	127.1	66%	0.661	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	4.7	173.7	-82.6	167.5	173.9	139.5	0	115.3	D318 Y320	D318-K322 PolarHBondContact O-N 3.46Å; D318-K322 IonicContact OD1-NZ 3.23Å; D318-K322 PolarHBondContact OD1-NZ 3.42Å; D318-K322 IonicContact OD2-NZ 2.82Å; D318-K322 PolarHBondContact OD2-NZ 3.39Å; Y320-K322 PolarHBondContact O-N 2.97Å
323	R	34.8	Very low	35.6	Very low	223 Å²	223	132.4 Å²	132.4	84%	0.842	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	11.5	-177.3	-139.7	175.1	-170.3	170.7	3.2	115	Y320 H321	Y320-R323 PolarHBondContact O-N 3.06Å; H321-R323 PolarHBondContact O-N 2.94Å
324	S	36.2	Very low	34.2	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	72%	0.716	S	S	*	*	S	Bend	trans	-120.9	18.4	-171.1	-165.7	0	0	0	0	115.7
325	V	33	Very low	33.1	Very low	140 Å²	140	134.8 Å²	134.8	85%	0.848	73%	0.726	S	S	*	*			trans	-127.6	108.4	168	-173.9	0	0	0	0	108.2
326	G	28.9	Very low	32.1	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	74%	0.741	S	S	*	*			trans	-77.9	152.9	172.2	0	0	0	0	0	111.2
327	P	32.2	Very low	31.3	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	75%	0.745	S	S	*	*			trans	-67.6	150.5	175.6	30.5	-35.1	0	0	0	111.2
328	L	26	Very low	30.5	Very low	172 Å²	172	134.4 Å²	134.4	90%	0.901	75%	0.753	S	S	*	*			trans	-111.4	97.6	170.4	-163.8	80.3	0	0	0	108.3
329	D	26.8	Very low	30	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	77%	0.765	S	S	*	*			trans	-74.6	135	-176.2	-72.8	-51	0	0	0	113.1
330	T	23.3	Very low	29.2	Very low	130 Å²	130	136.7 Å²	136.7	80%	0.798	77%	0.769	S	S	*	*			trans	-169	146.9	152.8	23.4	0	0	0	0	109.6
331	P	27.9	Very low	28.5	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	77%	0.769	S	S	*	*				-121.3	174.7	-59.2	28.2	-9.8	0	0	0	112.6
332	T	25	Very low	27.7	Very low	134 Å²	134	134.5 Å²	134.5	82%	0.822	78%	0.778	S	S	*	*			trans	-52.1	147.2	-178.2	46	0	0	0	0	116.6
333	L	27.9	Very low	28.1	Very low	179 Å²	179	132.2 Å²	132.2	94%	0.937	78%	0.778	S	S	*	*			trans	-130.8	158.6	144.6	-139.7	84.7	0	0	0	110.8
334	Q	24.7	Very low	27.6	Very low	170 Å²	170	130.3 Å²	130.3	79%	0.794	78%	0.779	S	S	*	*			trans	-67.9	150.5	-165.9	-146.7	87	9.1	0	0	115.2
335	G	26.1	Very low	27.1	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	78%	0.784	S	S	*	*			trans	175.6	106.2	165.3	0	0	0	0	0	113
336	D	25.1	Very low	26.7	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	79%	0.787	S	S	*	*			trans	-86.2	154.2	-170.8	-59	-79.8	0	0	0	115.2
337	G	25.4	Very low	26.5	Very low	64 Å²	64	142.1 Å²	142.1	66%	0.66	80%	0.797	S	S	*	*			trans	133.4	112.1	133.6	0	0	0	0	0	119.9
338	V	26.7	Very low	26	Very low	133 Å²	133	147.1 Å²	147.1	81%	0.806	80%	0.801	S	S	*	*			trans	66.2	114.9	130.8	174.1	0	0	0	0	118.1
339	V	26.6	Very low	25.9	Very low	118 Å²	118	145 Å²	145	72%	0.715	79%	0.79	S	S	*	*				72.5	127.2	59.7	171.6	0	0	0	0	111
340	E	24.4	Very low	25.7	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.762	79%	0.793	S	S	*	*			cis	-161.7	-176.8	13.2	-134.6	169.4	178.3	0	0	113.4
341	T	23.8	Very low	25.6	Very low	114 Å²	114	143.4 Å²	143.4	70%	0.699	79%	0.786	S	S	*	*			trans	41.6	121	152.6	57.1	0	0	0	0	121.7
342	L	21.7	Very low	25.4	Very low	164 Å²	164	146 Å²	146	86%	0.859	79%	0.787	S	S	*	*				46.9	149.1	69	-69.5	178.6	0	0	0	116.5
343	P	44.5	Very low	25.3	Very low	104 Å²	104	148.1 Å²	148.1	68%	0.675	79%	0.788	S	S	*	*			cis	-141.5	-160.8	-21.1	40.2	-19.5	0	0	0	114.9
344	E	23.5	Very low	25	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	78%	0.784	S	S	*	*			trans	98.9	161.8	146.2	-88.7	177.6	-177.5	0	0	123.8
345	H	26.3	Very low	25.6	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	78%	0.778	S	S	*	*			trans	-86.2	156.8	-156.9	-87.7	-91.7	0	0	0	115.7
346	E	24.3	Very low	25.3	Very low	195 Å²	195	150 Å²	150	91%	0.911	78%	0.781	S	S	*	*				-167.3	-172.8	114.7	-111.1	-169.6	152.9	0	0	114
347	Q	23.4	Very low	25.3	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	78%	0.782	S	S	*	*			trans	-125.7	158.4	-172.3	-64.1	-175.6	-25.8	0	0	114
348	R	22.7	Very low	25.3	Very low	220 Å²	220	154.1 Å²	154.1	83%	0.83	78%	0.782	S	S	*	*			trans	106.1	107.6	135.5	-163.7	170.4	-173.2	-173.1	0.9	121.3
349	N	23.1	Very low	25.2	Very low	126 Å²	126	155.3 Å²	155.3	67%	0.674	78%	0.778	S	S	*	*			trans	46.6	139.7	137.7	-73.8	32.7	0	0	0	126.4
350	E	23.2	Very low	25.2	Very low	179 Å²	179	160.4 Å²	160.4	84%	0.836	79%	0.785	S	S	*	*			trans	92	137.6	135	-79.3	160.8	-120.9	0	0	122.7
351	G	22.3	Very low	25.2	Very low	62 Å²	62	164.6 Å²	164.6	64%	0.639	79%	0.794	S	S	*	*			trans	114.1	100.6	178.4	0	0	0	0	0	113.2
352	H	22.3	Very low	25.1	Very low	176 Å²	176	162 Å²	162	82%	0.815	79%	0.79	S	S	*	*				60.1	130.2	86	-71.5	59.4	0	0	0	113.5
353	E	23	Very low	25.2	Very low	179 Å²	179	161.8 Å²	161.8	84%	0.836	79%	0.789	S	S	*	*			cis	-148.7	-176.3	22.9	-119.4	155.2	-153.3	0	0	113.6
354	E	21	Very low	24.2	Very low	182 Å²	182	165.2 Å²	165.2	85%	0.85	79%	0.794	S	S	*	*			trans	-86.7	-168	-172	-44.9	-170.6	116.4	0	0	114.5
355	P	37.2	Very low	24.3	Very low	103 Å²	103	164.7 Å²	164.7	67%	0.669	79%	0.791	S	S	*	*			cis	-143.8	-176.5	-2.7	40.1	-18.5	0	0	0	119.1
356	Q	21.3	Very low	24.2	Very low	179 Å²	179	159.3 Å²	159.3	84%	0.836	78%	0.783	S	S	*	*			trans	95.5	145.2	156.7	-66.4	-173.1	-2.5	0	0	122.2
357	Q	23.9	Very low	24.3	Very low	179 Å²	179	157.2 Å²	157.2	84%	0.836	78%	0.778	S	S	*	*			trans	71.6	141.7	168	-82.3	177.8	-27.3	0	0	118.7
358	D	25.2	Very low	24.4	Very low	123 Å²	123	155.8 Å²	155.8	66%	0.658	78%	0.776	S	S	*	*			cis	-153.3	160.9	-4.1	-159.2	16.3	0	0	0	115.2
359	Q	26.3	Very low	24.7	Very low	158 Å²	158	155.1 Å²	155.1	74%	0.738	78%	0.775	S	S	*	*			trans	47.8	162.5	153.2	-124.5	61.2	-89.2	0	0	125.2
360	R	24.8	Very low	24.9	Very low	225 Å²	225	159 Å²	159	85%	0.849	78%	0.781	S	S	*	*			trans	-121.3	150.7	-177.2	-14.9	167.4	-172.7	169.4	0.9	113.4
361	R	24.6	Very low	25.1	Very low	251 Å²	251	159.3 Å²	159.3	95%	0.947	78%	0.782	S	S	*	*			trans	176.3	166.1	142.6	-102.7	167.2	172.5	169.2	-3.2	109.8
362	G	23.6	Very low	25.3	Very low	60 Å²	60	160.3 Å²	160.3	62%	0.619	78%	0.784	S	S	*	*			cis	135.5	113.1	-7.5	0	0	0	0	0	114.1
363	D	23	Very low	25.5	Very low	159 Å²	159	162.7 Å²	162.7	85%	0.85	79%	0.788	S	S	*	*			trans	60.2	116	152	-61.4	-30.2	0	0	0	123.5
364	F	23.4	Very low	25.8	Very low	175 Å²	175	164.1 Å²	164.1	77%	0.768	79%	0.792	S	S	*	*				73.5	151.5	115.4	-138.1	-95.3	0	0	0	122.3
365	H	24.6	Very low	25.8	Very low	172 Å²	172	159.1 Å²	159.1	80%	0.796	79%	0.789	S	S	*	*			trans	64.3	154.6	179.5	-78.1	-47.3	0	0	0	117.8
366	G	25	Very low	25.2	Very low	63 Å²	63	158 Å²	158	65%	0.649	80%	0.797	S	S	*	*			cis	-171.2	-174.1	0.9	0	0	0	0	0	114.7
367	N	25.8	Very low	25.5	Very low	151 Å²	151	158.3 Å²	158.3	81%	0.807	80%	0.798	S	S	*	*			trans	-55.1	152.5	-173.7	-53.8	-23.4	0	0	0	115.1
368	L	26.7	Very low	26.1	Very low	150 Å²	150	154.5 Å²	154.5	79%	0.785	79%	0.789	S	S	*	*			trans	-148.6	132.3	140.5	-145.3	66	0	0	0	112.8	Y370	L368-Y370 HydrophobicContact CD2-CD2 4.21Å; L368-Y370 HydrophobicContact CD2-CE2 3.75Å; L368-Y370 HydrophobicContact CG-CE2 4.38Å
369	Y	28.2	Very low	26.2	Very low	206 Å²	206	155 Å²	155	81%	0.808	79%	0.791	S	S	*	*			trans	-82.1	152.4	165.9	-87.8	-109.4	0	0	0	109.5
370	Y	26.8	Very low	26.2	Very low	206 Å²	206	155.8 Å²	155.8	81%	0.808	80%	0.795	S	S	*	*			trans	-145.3	121.7	148.3	-99.2	-71.3	0	0	0	112.8	L368	L368-Y370 HydrophobicContact CD2-CD2 4.21Å; L368-Y370 HydrophobicContact CD2-CE2 3.75Å; L368-Y370 HydrophobicContact CG-CE2 4.38Å
371	H	28.9	Very low	26.2	Very low	186 Å²	186	152.4 Å²	152.4	86%	0.861	79%	0.789	S	S	*	*			trans	-103.5	142.9	147.5	-92.8	-79.2	0	0	0	107
372	A	26.3	Very low	26.4	Very low	83 Å²	83	146.3 Å²	146.3	69%	0.686	78%	0.78	S	S	*	*			trans	-144	115.6	166.6	0	0	0	0	0	110.3
373	Y	25.6	Very low	26.6	Very low	227 Å²	227	146.9 Å²	146.9	89%	0.89	79%	0.785	S	S	*	*			trans	-74	150.7	155.4	-103.8	-105.5	0	0	0	108.5
374	F	29.1	Very low	26.7	Very low	208 Å²	208	149.7 Å²	149.7	91%	0.912	79%	0.79	S	S	*	*			trans	-143.4	141.6	148.3	-97.1	-73.6	0	0	0	111.4
375	G	22.8	Very low	26.9	Very low	77 Å²	77	144.4 Å²	144.4	79%	0.794	79%	0.785	S	S	*	*			trans	-162.2	137.8	168.7	0	0	0	0	0	107.2
376	G	23.6	Very low	27.1	Very low	81 Å²	81	144.6 Å²	144.6	84%	0.835	79%	0.787	S	S	*	*			trans	152.5	103.5	-172.9	0	0	0	0	0	112.4
377	Q	27	Very low	27.4	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	79%	0.791	S	S	*	*			trans	-70.2	176.1	162.4	-106.2	173.2	-80.7	0	0	110.3
378	P	37.3	Very low	27.5	Very low	98 Å²	98	146.3 Å²	146.3	64%	0.636	79%	0.785	S	S	*	*			cis	-149.5	179.7	35.1	48.2	-28.6	0	0	0	119
379	D	26.6	Very low	27.5	Very low	134 Å²	134	147.8 Å²	147.8	72%	0.717	79%	0.785	S	S	*	*			trans	56.2	145.2	153.3	-48.8	-26.6	0	0	0	120.6
380	E	26.6	Very low	27.5	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	78%	0.783	S	S	*	*			cis	-144.5	-158.8	-6.8	-129.4	-171.8	127.6	0	0	108.9
381	E	25.9	Very low	28.1	Very low	154 Å²	154	139.6 Å²	139.6	72%	0.72	77%	0.774	S	S	*	*			cis	-156.3	177.1	13.5	-141	-159.3	137.4	0	0	110.6
382	V	28.8	Very low	28	Very low	124 Å²	124	138.4 Å²	138.4	75%	0.752	77%	0.769	S	S	*	*			trans	14.5	132.2	162.1	-173.3	0	0	0	0	123.1
383	G	27.1	Very low	28	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	77%	0.773	S	S	*	*			trans	173.3	103.3	150.9	0	0	0	0	0	118
384	F	24.4	Very low	28.2	Very low	218 Å²	218	138.5 Å²	138.5	96%	0.956	77%	0.768	S	S	*	*			trans	-83.9	161.7	169.4	-82.7	-120.1	0	0	0	111.6
385	G	28.2	Very low	28	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	76%	0.763	S	S	*	*			cis	164.2	165.1	-3.1	0	0	0	0	0	113
386	E	29.4	Very low	28.4	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	76%	0.756	S	S	*	*			trans	60.1	146	172.9	-48.3	-160.3	152.3	0	0	117.9
387	T	31.1	Very low	28.6	Very low	122 Å²	122	141.1 Å²	141.1	75%	0.748	76%	0.756	S	S	*	*			cis	-143.7	138.2	30	42.2	0	0	0	0	110.5
388	L	27.2	Very low	28.9	Very low	127 Å²	127	139.8 Å²	139.8	67%	0.665	75%	0.754	S	S	*	*				78.9	96.2	69.7	-82.7	172.2	0	0	0	118.2
389	K	27	Very low	28.5	Very low	182 Å²	182	143.2 Å²	143.2	79%	0.791	76%	0.76	S	S	*	*			trans	70.6	155.3	147	-68.1	-179.2	178.8	175.2	0	118.4
390	N	28.1	Very low	28.7	Very low	143 Å²	143	142.2 Å²	142.2	77%	0.765	75%	0.754	S	S	*	*			cis	-147.6	-167.8	7.6	-128.5	20.4	0	0	0	111.2
391	P	39.3	Very low	28.8	Very low	96 Å²	96	138.1 Å²	138.1	62%	0.623	75%	0.745	S	S	*	*			trans	-124.6	-158	-146.3	47.4	-31.9	0	0	0	116.2
392	Q	27.4	Very low	29	Very low	162 Å²	162	139.5 Å²	139.5	76%	0.757	74%	0.743	S	S	*	*			trans	74.3	146.6	-176.9	-69	167.3	-103.2	0	0	113.8
393	E	26.6	Very low	29.2	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	75%	0.746	S	S	*	*			cis	-145.1	171.9	6.8	-150.7	142.2	-116.4	0	0	111.6
394	D	28.7	Very low	29.2	Very low	148 Å²	148	146.3 Å²	146.3	79%	0.791	75%	0.745	S	S	*	*			trans	-62.5	139.5	-176.5	-82.8	-56.9	0	0	0	114.6
395	N	26.1	Very low	29.8	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	74%	0.737	S	S	*	*				-165.8	133.5	127.5	-104.7	-60.8	0	0	0	113.7
396	S	29.4	Very low	30.1	Very low	92 Å²	92	148.5 Å²	148.5	64%	0.643	74%	0.742	S	S	*	*			trans	-3.5	124.1	162.8	61.4	0	0	0	0	119.9
397	Q	28.4	Very low	30.4	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	74%	0.737	S	S	*	*				-168	147.2	101.1	-101.1	164.8	19.4	0	0	112.5
398	D	32.5	Very low	30.7	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	73%	0.733	S	S	*	*			trans	-79.6	140.5	175.6	-170.4	10.5	0	0	0	110.1
399	F	29.2	Very low	31.2	Very low	171 Å²	171	145.3 Å²	145.3	75%	0.75	73%	0.733	S	S	*	*			trans	-140	63.6	-172.6	-130.7	-78.5	0	0	0	112.4	S401	F399-S401 PolarHBondContact O-N 3.09Å; F399-S401 PolarHBondContact O-OG 3.47Å
400	D	31.1	Very low	31.9	Very low	112 Å²	112	145.5 Å²	145.5	60%	0.599	74%	0.736	S	S	*	*			trans	-53.3	110.5	166.9	-176.4	3.2	0	0	0	109.4	R402	D400-R402 WeakPolarHBondContact OD1-CB 3.33Å; D400-R402 PolarHBondContact OD1-N 3.45Å; D400-R402 VanDerWaalsContact OD1-N 3.13Å; D400-R402 IonicContact OD2-CZ 2.77Å; D400-R402 IonicContact OD2-NE 3.61Å; D400-R402 IonicContact OD2-NH2 3.58Å; D400-R402 PolarHBondContact OD2-NH2 3.2Å
401	S	30.1	Very low	32.9	Very low	88 Å²	88	141.2 Å²	141.2	62%	0.615	73%	0.726	S	S	*	*			trans	-109.4	43.8	-177.7	31.2	0	0	0	0	111.1	F399 Y403	F399-S401 PolarHBondContact O-N 3.09Å; F399-S401 PolarHBondContact O-OG 3.47Å; S401-Y403 WeakPolarHBondContact O-CD2 3.18Å; S401-Y403 PolarHBondContact O-N 3.32Å
402	R	28.4	Very low	33.6	Very low	183 Å²	183	139.2 Å²	139.2	69%	0.691	72%	0.723	S	S	*	*			trans	-59.8	96	166.4	-172.9	-174.6	-45.1	-144	-0.4	111.3	D400 D404	D400-R402 WeakPolarHBondContact OD1-CB 3.33Å; D400-R402 PolarHBondContact OD1-N 3.45Å; D400-R402 VanDerWaalsContact OD1-N 3.13Å; D400-R402 IonicContact OD2-CZ 2.77Å; D400-R402 IonicContact OD2-NE 3.61Å; D400-R402 IonicContact OD2-NH2 3.58Å; D400-R402 PolarHBondContact OD2-NH2 3.2Å; R402-D404 PolarHBondContact O-N 3.44Å
403	Y	33	Very low	35.5	Very low	207 Å²	207	135.9 Å²	135.9	81%	0.812	71%	0.707	S	S	*	*			trans	-68	83.1	164.7	-82.2	-85.9	0	0	0	110.3	S401 Y405	S401-Y403 WeakPolarHBondContact O-CD2 3.18Å; S401-Y403 PolarHBondContact O-N 3.32Å; Y403-Y405 PolarHBondContact O-N 2.97Å
404	D	28	Very low	38.1	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	68%	0.68	S	S	*	*			trans	-73.4	90.5	173.6	-155.6	28.2	0	0	0	108.8	R402 V406	R402-D404 PolarHBondContact O-N 3.44Å; D404-V406 PolarHBondContact O-N 3.33Å
405	Y	37.4	Very low	40.9	Very low	202 Å²	202	129.3 Å²	129.3	79%	0.792	67%	0.674	S	S	*	*			trans	-61.9	108.9	173.6	-101.8	-91	0	0	0	108.6	Y403 V407	Y403-Y405 PolarHBondContact O-N 2.97Å; Y405-V407 PolarHBondContact O-N 3.01Å
406	V	34.5	Very low	43.9	Very low	126 Å²	126	123.2 Å²	123.2	76%	0.764	64%	0.643	S	S	*	*			trans	-70	79.9	173	-175.3	0	0	0	0	108.9	D404 C408	D404-V406 PolarHBondContact O-N 3.33Å; V406-C408 PolarHBondContact O-N 3.08Å; V406-C408 VanDerWaalsContact O-N 3.15Å
407	V	35.8	Very low	46.7	Very low	121 Å²	121	120.7 Å²	120.7	73%	0.733	63%	0.628	S	S	*	*			trans	-65.3	109.6	162.7	179.1	0	0	0	0	106.3	Y405 E409	Y405-V407 PolarHBondContact O-N 3.01Å; V407-E409 VanDerWaalsContact C-N 3.31Å; V407-E409 PolarHBondContact O-N 3.26Å
408	C	35.7	Very low	49.3	Very low	98 Å²	98	114.7 Å²	114.7	66%	0.662	60%	0.604	S	S	*	*			trans	-63.5	95.6	164.2	-64.6	0	0	0	0	108	V406 E410	V406-C408 PolarHBondContact O-N 3.08Å; V406-C408 VanDerWaalsContact O-N 3.15Å; C408-E410 PolarHBondContact O-N 3.19Å
409	E	39.1	Very low	51.5	Low	140 Å²	140	112.7 Å²	112.7	65%	0.654	60%	0.597	S	S	*	*			trans	-52.1	109.8	154.6	-93.2	-166.4	148.9	0	0	105.5	R259 V407 G411	R259-E409 IonicContact NH1-OE1 2.64Å; V407-E409 VanDerWaalsContact C-N 3.31Å; V407-E409 PolarHBondContact O-N 3.26Å; E409-G411 PolarHBondContact O-N 3.07Å; E409-G411 VanDerWaalsContact O-N 3.15Å
410	E	41.4	Very low	53.4	Low	185 Å²	185	106.4 Å²	106.4	86%	0.864	57%	0.574	S	S	*	*			trans	-53.5	126.6	169.9	-71.5	-164.6	141.5	0	0	107.6	C408 G412	C408-E410 PolarHBondContact O-N 3.19Å; E410-G412 PolarHBondContact O-N 3.36Å
411	G	48.9	Very low	55	Low	54 Å²	54	105.1 Å²	105.1	56%	0.557	57%	0.567	S	S	*	*			trans	-67.8	77	177.7	0	0	0	0	0	110.7	E409	E409-G411 PolarHBondContact O-N 3.07Å; E409-G411 VanDerWaalsContact O-N 3.15Å
412	G	54.8	Low	56.3	Low	54 Å²	54	106.3 Å²	106.3	56%	0.557	56%	0.563	S	S	*	*			trans	-49.1	141.7	-173.4	0	0	0	0	0	111.7	E410 V414	E410-G412 PolarHBondContact O-N 3.36Å; G412-V414 PolarHBondContact O-N 3.34Å
413	E	66.3	Low	57.5	Low	91 Å²	91	101 Å²	101	43%	0.425	55%	0.545	S	S	.	.			trans	-66	126.8	174.2	-164	149.8	156.3	0	0	108.5	K299 E415	K299-E413 HydrophobicContact CD-CB 4.34Å; K299-E413 HydrophobicContact CD-CG 4.35Å; K299-E413 WeakPolarHBondContact CD-OE2 3.39Å; K299-E413 IonicContact NZ-OE2 3.46Å; K299-E413 PolarHBondContact NZ-OE2 3.18Å; E413-E415 PolarHBondContact O-N 3Å
414	V	81.5	Confident	58.8	Low	32 Å²	32	92.3 Å²	92.3	19%	0.194	51%	0.512	C	S	.	.			trans	-61.7	109.2	-177.5	-170.2	0	0	0	0	108.4	L281 I282 A284 F295 G412 C416	L281-V414 HydrophobicContact CD2-CG1 4.1Å; L281-V414 HydrophobicContact CG-CG1 4.12Å; L281-V414 WeakPolarHBondContact O-CG2 3.32Å; I282-V414 CarbonylContact O-C 3.34Å; I282-V414 WeakPolarHBondContact O-CA 3.47Å; A284-V414 HydrophobicContact CB-CG1 4.07Å; F295-V414 HydrophobicContact CB-CB 4.05Å; F295-V414 HydrophobicContact CB-CG1 4.43Å; F295-V414 HydrophobicContact CB-CG2 4.24Å; F295-V414 HydrophobicContact CD1-CG1 4.25Å; F295-V414 HydrophobicContact CD1-CG2 4.33Å; F295-V414 HydrophobicContact CG-CB 4.48Å; F295-V414 HydrophobicContact CG-CG1 4.36Å; G412-V414 PolarHBondContact O-N 3.34Å; V414-C416 PolarHBondContact O-N 3.49Å
415	E	87.3	Confident	60.5	Low	142 Å²	142	87.2 Å²	87.2	66%	0.664	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	105	179	-62.3	-172.1	147.5	0	0	108	I282 T283 A284 E413	I282-E415 PolarHBondContact O-N 2.93Å; T283-E415 WeakPolarHBondContact CA-O 3.43Å; T283-E415 HydrophobicContact CG2-CB 4.21Å; A284-E415 PolarHBondContact N-O 3.35Å; E413-E415 PolarHBondContact O-N 3Å
416	C	89.4	Confident	61.9	Low	23 Å²	23	79.7 Å²	79.7	16%	0.155	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126	-171.4	-165	0	0	0	0	111.8	A284 C292 V414	A284-C416 HydrophobicContact CB-CB 4.22Å; A284-C416 VanDerWaalsContact O-CA 3.24Å; A284-C416 WeakPolarHBondContact O-CA 3.14Å; C292-C416 WeakPolarHBondContact CA-SG 3.24Å; C292-C416 HydrophobicContact CB-CB 3.6Å; C292-C416 WeakPolarHBondContact CB-SG 3.32Å; C292-C416 WeakPolarHBondContact SG-CB 3.02Å; C292-C416 CovalentContact SG-SG 2.04Å; C292-C416 PolarHBondContact SG-SG 3.36Å; V414-C416 PolarHBondContact O-N 3.49Å
417	A	86.9	Confident	63.5	Low	40 Å²	40	76.6 Å²	76.6	33%	0.331	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150	178.7	0	0	0	0	0	110.4	A284 L286	A284-A417 PolarHBondContact O-N 2.96Å; L286-A417 PolarHBondContact N-O 3.02Å
418	P	84.9	Confident	65.1	Low	51 Å²	51	72.1 Å²	72.1	33%	0.331	41%	0.412	S	S	.	.	S	Bend	cis	-66.4	148.9	-11.3	29.2	-37.1	0	0	0	112.3	L286 P289 C292	L286-P418 WeakPolarHBondContact O-CD 3.5Å; P289-P418 HydrophobicContact CB-CG 4.2Å; P289-P418 HydrophobicContact CG-CB 4.31Å; P289-P418 HydrophobicContact CG-CG 3.68Å; C292-P418 PolarHBondContact SG-O 3.18Å
419	V	77.3	Confident	66.9	Low	114 Å²	114	67.4 Å²	67.4	69%	0.691	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-63.5	138.1	177.7	-177.1	0	0	0	0	109.9	D421	V419-D421 PolarHBondContact O-N 2.92Å
420	P	69.9	Low	68.4	Low	39 Å²	39	61 Å²	61	25%	0.253	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54.5	127.9	173.5	-26.8	34.7	0	0	0	113.2	C292 C293 C426	C292-P420 HydrophobicContact CB-CG 4.15Å; C293-P420 VanDerWaalsContact SG-CG 3.59Å; P420-C426 VanDerWaalsContact CG-SG 3.53Å
421	D	64.8	Low	69.8	Low	85 Å²	85	53 Å²	53	46%	0.455	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-83.6	156.8	-179	-174.4	14	0	0	0	111.7	V419 F423 N424	V419-D421 PolarHBondContact O-N 2.92Å; D421-F423 PolarHBondContact O-N 3.49Å; D421-F423 VanDerWaalsContact O-N 3.14Å; D421-N424 CarbonylContact O-C 3.6Å; D421-N424 VanDerWaalsContact O-C 3.28Å; D421-N424 PolarHBondContact O-N 3.11Å
422	E	55.9	Low	71	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.3	-179.6	-70.9	-164.1	-162.5	0	0	112.6	N424 P425 V674	E422-N424 VanDerWaalsContact C-N 3.3Å; E422-N424 PolarHBondContact O-N 3.47Å; E422-P425 WeakPolarHBondContact O-CD 3.36Å; E422-V674 HydrophobicContact CB-CG2 4.08Å; E422-V674 VanDerWaalsContact O-CB 3.26Å; E422-V674 WeakPolarHBondContact O-CB 3.12Å; E422-V674 WeakPolarHBondContact O-CG1 3.26Å
423	F	53.6	Low	72.1	Confident	70 Å²	70	53.8 Å²	53.8	31%	0.307	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.1	178.3	-62.7	-77.9	0	0	0	114.3	D421 V584 V674	D421-F423 PolarHBondContact O-N 3.49Å; D421-F423 VanDerWaalsContact O-N 3.14Å; F423-V584 HydrophobicContact CD1-CG2 4.28Å; F423-V674 HydrophobicContact CD1-CG2 4.36Å; F423-V674 HydrophobicContact CE1-CG2 4.39Å
424	N	60.8	Low	72.8	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.134	31%	0.307	C	S	.	.	S	Bend	trans	-141.2	65.8	177.9	-159.1	15	0	0	0	111.4	D421 E422	D421-N424 CarbonylContact O-C 3.6Å; D421-N424 VanDerWaalsContact O-C 3.28Å; D421-N424 PolarHBondContact O-N 3.11Å; E422-N424 VanDerWaalsContact C-N 3.3Å; E422-N424 PolarHBondContact O-N 3.47Å
425	P	64.8	Low	72.6	Confident	25 Å²	25	53 Å²	53	16%	0.162	30%	0.298	C	S	.	.			trans	-68.3	163	-178.2	31.1	-35.8	0	0	0	111.2	E422 E427 S675	E422-P425 WeakPolarHBondContact O-CD 3.36Å; P425-E427 PolarHBondContact O-N 2.84Å; P425-S675 WeakPolarHBondContact CG-OG 3.45Å
426	C	66.9	Low	72.4	Confident	44 Å²	44	48.7 Å²	48.7	30%	0.297	28%	0.276	S	S	.	.	S	Bend	trans	-74.8	46.4	-175.6	-60	0	0	0	0	115.4	C293 P420	C293-C426 WeakPolarHBondContact CA-SG 3.31Å; C293-C426 HydrophobicContact CB-CB 3.41Å; C293-C426 VanDerWaalsContact CB-CB 3.41Å; C293-C426 WeakPolarHBondContact CB-SG 3.43Å; C293-C426 WeakPolarHBondContact SG-CA 3.43Å; C293-C426 WeakPolarHBondContact SG-CB 2.94Å; C293-C426 CovalentContact SG-SG 2.04Å; C293-C426 PolarHBondContact SG-SG 2.8Å; P420-C426 VanDerWaalsContact CG-SG 3.53Å
427	E	66.5	Low	72.3	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	30%	0.3	S	S	.	.	S	Bend	trans	-117.9	160.6	-178.3	-64.2	168.9	-156.1	0	0	109.9	P425 Y499 S675 K678	P425-E427 PolarHBondContact O-N 2.84Å; E427-Y499 WeakPolarHBondContact O-CD1 3.31Å; E427-S675 VanDerWaalsContact OE1-CB 3.24Å; E427-S675 WeakPolarHBondContact OE1-CB 3.33Å; E427-S675 PolarHBondContact OE1-OG 2.77Å; E427-K678 IonicContact OE2-NZ 3.81Å; E427-K678 PolarHBondContact OE2-NZ 3.37Å
428	D	70.4	Confident	72.1	Confident	26 Å²	26	52.7 Å²	52.7	14%	0.139	30%	0.297	C	S	.	.			trans	-63.9	168.2	159.8	-62.8	-44.3	0	0	0	110.1	M430 G431 R436 S497	D428-M430 VanDerWaalsContact C-N 3.32Å; D428-M430 PolarHBondContact O-N 2.84Å; D428-G431 PolarHBondContact O-N 2.91Å; D428-R436 IonicContact OD2-CZ 2.69Å; D428-R436 VanDerWaalsContact OD2-CZ 3.23Å; D428-R436 IonicContact OD2-NH1 3.09Å; D428-R436 PolarHBondContact OD2-NH1 3.06Å; D428-R436 IonicContact OD2-NH2 3.53Å; D428-R436 PolarHBondContact OD2-NH2 3.45Å; D428-S497 WeakPolarHBondContact OD1-CA 3.28Å; D428-S497 PolarHBondContact OD1-N 2.99Å
429	I	74.5	Confident	72.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-52.8	-176.5	-59	171.3	0	0	0	111.5	I488 V491 D492 Y499 I586 K678	I429-I488 HydrophobicContact CG2-CG2 3.84Å; I429-V491 HydrophobicContact CD1-CB 4.24Å; I429-V491 HydrophobicContact CD1-CG1 3.66Å; I429-D492 HydrophobicContact CB-CB 4.36Å; I429-D492 PolarHBondContact N-OD1 2.93Å; I429-Y499 HydrophobicContact CD1-CD2 3.95Å; I429-Y499 HydrophobicContact CD1-CE2 3.74Å; I429-Y499 HydrophobicContact CG1-CD2 3.61Å; I429-Y499 HydrophobicContact CG1-CE1 4.37Å; I429-Y499 HydrophobicContact CG1-CE2 3.41Å; I429-Y499 VanDerWaalsContact CG1-CE2 3.41Å; I429-Y499 HydrophobicContact CG1-CG 4.19Å; I429-I586 HydrophobicContact CG2-CG1 3.99Å; I429-K678 PolarHBondContact O-NZ 3.35Å
430	M	69.8	Low	72.7	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.02	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.5	178.1	-71.6	-69.8	162.5	0	0	114.4	D428 F432 R436 V439 I488 D492 V682	D428-M430 VanDerWaalsContact C-N 3.32Å; D428-M430 PolarHBondContact O-N 2.84Å; M430-F432 VanDerWaalsContact C-N 3.31Å; M430-F432 PolarHBondContact O-N 3.34Å; M430-R436 HydrophobicContact CB-CG 3.57Å; M430-R436 HydrophobicContact CG-CG 4.14Å; M430-V439 HydrophobicContact CE-CG1 4.23Å; M430-V439 HydrophobicContact CE-CG2 3.89Å; M430-V439 HydrophobicContact SD-CG2 3.87Å; M430-I488 HydrophobicContact CE-CB 4.43Å; M430-I488 HydrophobicContact CE-CG2 3.52Å; M430-D492 WeakPolarHBondContact CB-OD1 3.06Å; M430-D492 HydrophobicContact CG-CB 4.3Å; M430-D492 PolarHBondContact N-OD1 3.21Å; M430-V682 HydrophobicContact CE-CG1 4.25Å; M430-V682 HydrophobicContact CE-CG2 4.2Å; M430-V682 HydrophobicContact SD-CB 4.41Å; M430-V682 HydrophobicContact SD-CG1 3.65Å; M430-V682 HydrophobicContact SD-CG2 3.77Å
431	G	70	Confident	73.5	Confident	19 Å²	19	53.8 Å²	53.8	20%	0.196	28%	0.281	C	S	.	.			trans	63.2	-81.5	-175	0	0	0	0	0	113.3	D428 R436	D428-G431 PolarHBondContact O-N 2.91Å; G431-R436 PolarHBondContact O-NH2 3.06Å
432	F	73.9	Confident	74.5	Confident	72 Å²	72	50.5 Å²	50.5	32%	0.316	26%	0.264	S	S	.	.	S	Bend	trans	-71	144.5	-172.1	-57.8	-84.4	0	0	0	113.6	M430 F434 L435 R436 I679	M430-F432 VanDerWaalsContact C-N 3.31Å; M430-F432 PolarHBondContact O-N 3.34Å; F432-F434 HydrophobicContact CB-CD1 3.74Å; F432-F434 HydrophobicContact CB-CE1 3.55Å; F432-F434 HydrophobicContact CB-CZ 4.33Å; F432-F434 HydrophobicContact CD1-CE1 4.03Å; F432-F434 HydrophobicContact CG-CD1 4.44Å; F432-F434 AromaticContact CG-CE1 3.79Å; F432-F434 HydrophobicContact CG-CE1 3.79Å; F432-F434 HydrophobicContact CG-CZ 4.47Å; F432-L435 HydrophobicContact CB-CB 4.42Å; F432-L435 HydrophobicContact CB-CD1 4.33Å; F432-L435 HydrophobicContact CB-CG 4.18Å; F432-L435 HydrophobicContact CD2-CD1 3.86Å; F432-R436 WeakPolarHBondContact O-CG 3.34Å; F432-R436 PolarHBondContact O-NE 3.02Å; F432-I679 HydrophobicContact CE2-CD1 4.39Å; F432-I679 HydrophobicContact CE2-CG1 4.39Å
433	G	78.8	Confident	76.1	Confident	51 Å²	51	45 Å²	45	53%	0.526	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-39.1	178.3	0	0	0	0	0	113.8	R436 V437	G433-R436 PolarHBondContact O-N 3.46Å; G433-V437 PolarHBondContact O-N 3.5Å
434	F	80.9	Confident	77.8	Confident	106 Å²	106	45.6 Å²	45.6	47%	0.465	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-41.5	-179.6	74.8	-90	0	0	0	112.1	F432 R436 V437 S438 L683	F432-F434 HydrophobicContact CB-CD1 3.74Å; F432-F434 HydrophobicContact CB-CE1 3.55Å; F432-F434 HydrophobicContact CB-CZ 4.33Å; F432-F434 HydrophobicContact CD1-CE1 4.03Å; F432-F434 HydrophobicContact CG-CD1 4.44Å; F432-F434 AromaticContact CG-CE1 3.79Å; F432-F434 HydrophobicContact CG-CE1 3.79Å; F432-F434 HydrophobicContact CG-CZ 4.47Å; F434-R436 VanDerWaalsContact C-N 3.31Å; F434-R436 PolarHBondContact O-N 3.01Å; F434-V437 PolarHBondContact O-N 2.97Å; F434-V437 VanDerWaalsContact O-N 3.16Å; F434-S438 PolarHBondContact O-N 3.48Å; F434-S438 PolarHBondContact O-OG 3.3Å; F434-L683 HydrophobicContact CE2-CD1 4.42Å
435	L	77.8	Confident	79.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-43.7	177.2	-72.1	-175.3	0	0	0	111.6	F432 V437 S438 V439 I679 V682 L683	F432-L435 HydrophobicContact CB-CB 4.42Å; F432-L435 HydrophobicContact CB-CD1 4.33Å; F432-L435 HydrophobicContact CB-CG 4.18Å; F432-L435 HydrophobicContact CD2-CD1 3.86Å; L435-V437 VanDerWaalsContact C-N 3.33Å; L435-V437 PolarHBondContact O-N 2.95Å; L435-S438 PolarHBondContact O-N 3.48Å; L435-V439 VanDerWaalsContact O-CG2 3.29Å; L435-V439 WeakPolarHBondContact O-CG2 3.23Å; L435-V439 PolarHBondContact O-N 3.4Å; L435-I679 HydrophobicContact CD1-CG1 4.25Å; L435-V682 HydrophobicContact CB-CG1 4.32Å; L435-V682 HydrophobicContact CD1-CB 4.45Å; L435-V682 HydrophobicContact CD1-CG1 4.45Å; L435-V682 HydrophobicContact CD2-CB 4.39Å; L435-V682 HydrophobicContact CD2-CG1 4.09Å; L435-L683 HydrophobicContact CD2-CD1 3.82Å; L435-L683 HydrophobicContact CD2-CD2 4Å; L435-L683 HydrophobicContact CD2-CG 3.68Å
436	R	83.6	Confident	80.2	Confident	52 Å²	52	45.8 Å²	45.8	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-46.2	177.8	-62.7	171.2	-151.8	-134.5	18	111.7	D428 M430 G431 F432 G433 F434 V439 W440 D492	D428-R436 IonicContact OD2-CZ 2.69Å; D428-R436 VanDerWaalsContact OD2-CZ 3.23Å; D428-R436 IonicContact OD2-NH1 3.09Å; D428-R436 PolarHBondContact OD2-NH1 3.06Å; D428-R436 IonicContact OD2-NH2 3.53Å; D428-R436 PolarHBondContact OD2-NH2 3.45Å; M430-R436 HydrophobicContact CB-CG 3.57Å; M430-R436 HydrophobicContact CG-CG 4.14Å; G431-R436 PolarHBondContact O-NH2 3.06Å; F432-R436 WeakPolarHBondContact O-CG 3.34Å; F432-R436 PolarHBondContact O-NE 3.02Å; G433-R436 PolarHBondContact O-N 3.46Å; F434-R436 VanDerWaalsContact C-N 3.31Å; F434-R436 PolarHBondContact O-N 3.01Å; R436-V439 PolarHBondContact O-N 3.36Å; R436-W440 VanDerWaalsContact O-CD1 3.31Å; R436-W440 PolarHBondContact O-N 3.15Å; R436-D492 VanDerWaalsContact CD-OD2 3.24Å; R436-D492 WeakPolarHBondContact CD-OD2 3.26Å; R436-D492 IonicContact CZ-OD2 2.72Å; R436-D492 IonicContact NE-OD2 2.81Å; R436-D492 IonicContact NH1-OD1 3.2Å; R436-D492 IonicContact NH1-OD2 2.77Å; R436-D492 PolarHBondContact NH1-OD2 2.85Å
437	V	86.1	Confident	81.4	Confident	109 Å²	109	45.2 Å²	45.2	66%	0.661	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-45.1	177.5	-179.8	0	0	0	0	110.9	G433 F434 L435 V439 W440 F441	G433-V437 PolarHBondContact O-N 3.5Å; F434-V437 PolarHBondContact O-N 2.97Å; F434-V437 VanDerWaalsContact O-N 3.16Å; L435-V437 VanDerWaalsContact C-N 3.33Å; L435-V437 PolarHBondContact O-N 2.95Å; V437-V439 PolarHBondContact O-N 3.14Å; V437-W440 PolarHBondContact O-N 3.24Å; V437-F441 PolarHBondContact O-N 3.25Å
438	S	83.9	Confident	82.5	Confident	39 Å²	39	47.5 Å²	47.5	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-39.1	178.1	-61.4	0	0	0	0	113	F434 L435 F441 V442	F434-S438 PolarHBondContact O-N 3.48Å; F434-S438 PolarHBondContact O-OG 3.3Å; L435-S438 PolarHBondContact O-N 3.48Å; S438-F441 PolarHBondContact O-N 2.9Å; S438-V442 WeakPolarHBondContact O-CB 3.41Å; S438-V442 WeakPolarHBondContact O-CG2 3.49Å; S438-V442 PolarHBondContact O-N 2.89Å
439	V	85.4	Confident	83.3	Confident	2 Å²	2	47 Å²	47	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-42.1	-179.6	173.6	0	0	0	0	112	M430 L435 R436 V437 F441 V442 S443 L485 A489 V682	M430-V439 HydrophobicContact CE-CG1 4.23Å; M430-V439 HydrophobicContact CE-CG2 3.89Å; M430-V439 HydrophobicContact SD-CG2 3.87Å; L435-V439 VanDerWaalsContact O-CG2 3.29Å; L435-V439 WeakPolarHBondContact O-CG2 3.23Å; L435-V439 PolarHBondContact O-N 3.4Å; R436-V439 PolarHBondContact O-N 3.36Å; V437-V439 PolarHBondContact O-N 3.14Å; V439-F441 VanDerWaalsContact C-N 3.27Å; V439-F441 PolarHBondContact O-N 3.34Å; V439-V442 PolarHBondContact O-N 3.36Å; V439-S443 VanDerWaalsContact O-CB 3.23Å; V439-S443 WeakPolarHBondContact O-CB 3.27Å; V439-S443 PolarHBondContact O-N 3.17Å; V439-S443 PolarHBondContact O-OG 2.97Å; V439-L485 HydrophobicContact CG1-CB 4.35Å; V439-A489 HydrophobicContact CG1-CB 3.84Å; V439-V682 HydrophobicContact CG2-CG1 3.13Å
440	W	88.6	Confident	84	Confident	88 Å²	88	47 Å²	47	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-40.9	173.7	-83.1	102.2	0	0	0	111.3	R436 V437 S443 L444 L486 A489 L493	R436-W440 VanDerWaalsContact O-CD1 3.31Å; R436-W440 PolarHBondContact O-N 3.15Å; V437-W440 PolarHBondContact O-N 3.24Å; W440-S443 PolarHBondContact O-OG 3.38Å; W440-L444 WeakPolarHBondContact O-CB 3.24Å; W440-L444 WeakPolarHBondContact O-CD1 3.46Å; W440-L444 WeakPolarHBondContact O-CG 3.44Å; W440-L444 PolarHBondContact O-N 2.92Å; W440-L486 HydrophobicContact CE3-CD1 3.99Å; W440-L486 HydrophobicContact CH2-CD1 4.13Å; W440-L486 HydrophobicContact CZ3-CD1 3.49Å; W440-L486 VanDerWaalsContact CZ3-CD1 3.49Å; W440-A489 HydrophobicContact CD2-CB 4.17Å; W440-A489 HydrophobicContact CG-CB 4.45Å; W440-A489 HydrophobicContact CZ2-CB 4.04Å; W440-L493 HydrophobicContact CZ2-CD2 4.19Å
441	F	86.9	Confident	85	Confident	136 Å²	136	49.8 Å²	49.8	60%	0.596	27%	0.271	S	S	*	.	H	α-helix	trans	-66.7	-50.6	175.9	-173.6	-105.8	0	0	0	113	V437 S438 V439 L445	V437-F441 PolarHBondContact O-N 3.25Å; S438-F441 PolarHBondContact O-N 2.9Å; V439-F441 VanDerWaalsContact C-N 3.27Å; V439-F441 PolarHBondContact O-N 3.34Å; F441-L445 HydrophobicContact CD1-CD1 3.99Å; F441-L445 HydrophobicContact CE1-CD1 3.45Å; F441-L445 VanDerWaalsContact CE1-CD1 3.45Å; F441-L445 HydrophobicContact CE1-CG 4.39Å; F441-L445 HydrophobicContact CE2-CD1 4.22Å; F441-L445 HydrophobicContact CZ-CD1 3.59Å; F441-L445 HydrophobicContact CZ-CG 4.35Å; F441-L445 WeakPolarHBondContact O-CB 3.33Å; F441-L445 WeakPolarHBondContact O-CG 3.38Å; F441-L445 PolarHBondContact O-N 3.16Å
442	V	85.5	Confident	85.8	Confident	16 Å²	16	52.5 Å²	52.5	10%	0.097	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-42.5	-178.2	171.1	0	0	0	0	111.8	S438 V439 L445 A446 L485 P686 C690	S438-V442 WeakPolarHBondContact O-CB 3.41Å; S438-V442 WeakPolarHBondContact O-CG2 3.49Å; S438-V442 PolarHBondContact O-N 2.89Å; V439-V442 PolarHBondContact O-N 3.36Å; V442-L445 PolarHBondContact O-N 2.94Å; V442-A446 VanDerWaalsContact O-CB 3.27Å; V442-A446 WeakPolarHBondContact O-CB 3.45Å; V442-A446 PolarHBondContact O-N 3.32Å; V442-L485 HydrophobicContact CG1-CD1 4.02Å; V442-P686 HydrophobicContact CG1-CB 4.36Å; V442-C690 HydrophobicContact CG1-CB 4.16Å
443	S	88.8	Confident	86.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-45.3	178.2	58	0	0	0	0	112.3	V439 W440 A446 V447	V439-S443 VanDerWaalsContact O-CB 3.23Å; V439-S443 WeakPolarHBondContact O-CB 3.27Å; V439-S443 PolarHBondContact O-N 3.17Å; V439-S443 PolarHBondContact O-OG 2.97Å; W440-S443 PolarHBondContact O-OG 3.38Å; S443-A446 PolarHBondContact O-N 3.37Å; S443-V447 WeakPolarHBondContact O-CB 3.33Å; S443-V447 WeakPolarHBondContact O-CG2 3.12Å; S443-V447 PolarHBondContact O-N 3.02Å
444	L	90.1	Very high	86.8	Confident	82 Å²	82	48 Å²	48	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-42.5	176.5	-71.1	172.5	0	0	0	111.8	W440 L448	W440-L444 WeakPolarHBondContact O-CB 3.24Å; W440-L444 WeakPolarHBondContact O-CD1 3.46Å; W440-L444 WeakPolarHBondContact O-CG 3.44Å; W440-L444 PolarHBondContact O-N 2.92Å; L444-L448 VanDerWaalsContact O-CB 3.26Å; L444-L448 WeakPolarHBondContact O-CB 3.39Å; L444-L448 WeakPolarHBondContact O-CG 3.37Å; L444-L448 PolarHBondContact O-N 2.67Å
445	L	87.4	Confident	87	Confident	51 Å²	51	46.6 Å²	46.6	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-43	175	-73.5	-172.1	0	0	0	112.7	F441 V442 G449 F694	F441-L445 HydrophobicContact CD1-CD1 3.99Å; F441-L445 HydrophobicContact CE1-CD1 3.45Å; F441-L445 VanDerWaalsContact CE1-CD1 3.45Å; F441-L445 HydrophobicContact CE1-CG 4.39Å; F441-L445 HydrophobicContact CE2-CD1 4.22Å; F441-L445 HydrophobicContact CZ-CD1 3.59Å; F441-L445 HydrophobicContact CZ-CG 4.35Å; F441-L445 WeakPolarHBondContact O-CB 3.33Å; F441-L445 WeakPolarHBondContact O-CG 3.38Å; F441-L445 PolarHBondContact O-N 3.16Å; V442-L445 PolarHBondContact O-N 2.94Å; L445-G449 WeakPolarHBondContact O-CA 3.48Å; L445-G449 PolarHBondContact O-N 3.04Å; L445-F694 HydrophobicContact CD1-CZ 4.42Å; L445-F694 HydrophobicContact CD2-CZ 4.39Å
446	A	88.3	Confident	87.2	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-44.7	178	0	0	0	0	0	111.6	V442 S443 N450 C690	V442-A446 VanDerWaalsContact O-CB 3.27Å; V442-A446 WeakPolarHBondContact O-CB 3.45Å; V442-A446 PolarHBondContact O-N 3.32Å; S443-A446 PolarHBondContact O-N 3.37Å; A446-N450 VanDerWaalsContact O-CB 3.29Å; A446-N450 WeakPolarHBondContact O-CB 3.4Å; A446-N450 PolarHBondContact O-N 3.24Å; A446-N450 VanDerWaalsContact O-N 3.11Å; A446-N450 PolarHBondContact O-ND2 3.01Å; A446-C690 HydrophobicContact CB-CB 4.5Å
447	V	91.4	Very high	87.1	Confident	32 Å²	32	44.9 Å²	44.9	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-54.9	176.9	171.7	0	0	0	0	110.9	S443 G449 N450 V451 L479 I483	S443-V447 WeakPolarHBondContact O-CB 3.33Å; S443-V447 WeakPolarHBondContact O-CG2 3.12Å; S443-V447 PolarHBondContact O-N 3.02Å; V447-G449 PolarHBondContact O-N 3.08Å; V447-N450 PolarHBondContact O-N 2.93Å; V447-V451 HydrophobicContact CG1-CG2 4.41Å; V447-V451 WeakPolarHBondContact O-CB 3.45Å; V447-V451 VanDerWaalsContact O-CG2 3.24Å; V447-V451 WeakPolarHBondContact O-CG2 3.38Å; V447-V451 PolarHBondContact O-N 3.26Å; V447-L479 HydrophobicContact CB-CD1 4.25Å; V447-L479 HydrophobicContact CG1-CD1 3.98Å; V447-L479 HydrophobicContact CG2-CD1 4.22Å; V447-I483 HydrophobicContact CG2-CG1 4.48Å
448	L	90.6	Very high	86.9	Confident	110 Å²	110	45.9 Å²	45.9	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-63.2	-44.5	-176.9	-68.9	169.9	0	0	0	111.9	L444 V452	L444-L448 VanDerWaalsContact O-CB 3.26Å; L444-L448 WeakPolarHBondContact O-CB 3.39Å; L444-L448 WeakPolarHBondContact O-CG 3.37Å; L444-L448 PolarHBondContact O-N 2.67Å; L448-V452 WeakPolarHBondContact O-CG2 3.48Å; L448-V452 PolarHBondContact O-N 3.46Å
449	G	87.1	Confident	86.6	Confident	15 Å²	15	47.2 Å²	47.2	16%	0.155	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-49.3	179.2	0	0	0	0	0	112.3	L445 V447 V452 V453	L445-G449 WeakPolarHBondContact O-CA 3.48Å; L445-G449 PolarHBondContact O-N 3.04Å; V447-G449 PolarHBondContact O-N 3.08Å; G449-V452 PolarHBondContact O-N 3.21Å; G449-V453 VanDerWaalsContact O-CG2 3.31Å; G449-V453 WeakPolarHBondContact O-CG2 3.38Å; G449-V453 PolarHBondContact O-N 3.01Å
450	N	89.6	Confident	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73.9	-32.8	-178.4	-72.5	-67.5	0	0	0	113.2	A446 V447 V452 V453 L454 A475 D478 L479 S689 P693	A446-N450 VanDerWaalsContact O-CB 3.29Å; A446-N450 WeakPolarHBondContact O-CB 3.4Å; A446-N450 PolarHBondContact O-N 3.24Å; A446-N450 VanDerWaalsContact O-N 3.11Å; A446-N450 PolarHBondContact O-ND2 3.01Å; V447-N450 PolarHBondContact O-N 2.93Å; N450-V452 VanDerWaalsContact C-N 3.34Å; N450-V452 PolarHBondContact O-N 3.36Å; N450-V453 PolarHBondContact O-N 3.17Å; N450-L454 WeakPolarHBondContact O-CB 3.46Å; N450-L454 VanDerWaalsContact O-CG 3.32Å; N450-L454 WeakPolarHBondContact O-CG 3.37Å; N450-L454 PolarHBondContact O-N 3.47Å; N450-A475 HydrophobicContact CB-CB 4.44Å; N450-A475 WeakPolarHBondContact CB-O 3.41Å; N450-A475 WeakPolarHBondContact OD1-CA 3.45Å; N450-D478 WeakPolarHBondContact ND2-CB 3.18Å; N450-L479 HydrophobicContact CB-CB 4.07Å; N450-S689 PolarHBondContact ND2-O 3.42Å; N450-P693 WeakPolarHBondContact OD1-CG 3.43Å
451	V	90.6	Very high	85	Confident	63 Å²	63	52.3 Å²	52.3	38%	0.382	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-43.8	169.2	167.6	0	0	0	0	111	V447 L454 L455 L479	V447-V451 HydrophobicContact CG1-CG2 4.41Å; V447-V451 WeakPolarHBondContact O-CB 3.45Å; V447-V451 VanDerWaalsContact O-CG2 3.24Å; V447-V451 WeakPolarHBondContact O-CG2 3.38Å; V447-V451 PolarHBondContact O-N 3.26Å; V451-L454 PolarHBondContact O-N 2.99Å; V451-L455 VanDerWaalsContact O-CB 3.26Å; V451-L455 WeakPolarHBondContact O-CB 3.41Å; V451-L455 PolarHBondContact O-N 2.96Å; V451-L479 HydrophobicContact CG2-CD1 3.82Å; V451-L479 HydrophobicContact CG2-CD2 4.03Å
452	V	86.3	Confident	84.1	Confident	76 Å²	76	52 Å²	52	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-41.3	176	170.1	0	0	0	0	111.6	L448 G449 N450 L455 V456	L448-V452 WeakPolarHBondContact O-CG2 3.48Å; L448-V452 PolarHBondContact O-N 3.46Å; G449-V452 PolarHBondContact O-N 3.21Å; N450-V452 VanDerWaalsContact C-N 3.34Å; N450-V452 PolarHBondContact O-N 3.36Å; V452-L455 PolarHBondContact O-N 2.79Å; V452-V456 HydrophobicContact CG1-CG2 4.23Å; V452-V456 WeakPolarHBondContact O-CB 3.14Å; V452-V456 VanDerWaalsContact O-CG2 3.23Å; V452-V456 WeakPolarHBondContact O-CG2 3.18Å; V452-V456 PolarHBondContact O-N 3.11Å
453	V	85.6	Confident	83.5	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-49.7	175	172.2	0	0	0	0	111.2	G449 N450 V456 L457 A475 P693 Y696 F703	G449-V453 VanDerWaalsContact O-CG2 3.31Å; G449-V453 WeakPolarHBondContact O-CG2 3.38Å; G449-V453 PolarHBondContact O-N 3.01Å; N450-V453 PolarHBondContact O-N 3.17Å; V453-V456 PolarHBondContact O-N 3.1Å; V453-L457 HydrophobicContact CG1-CD1 3.73Å; V453-L457 HydrophobicContact CG1-CG 4.38Å; V453-L457 WeakPolarHBondContact O-CB 3.27Å; V453-L457 VanDerWaalsContact O-CG 3.28Å; V453-L457 WeakPolarHBondContact O-CG 3.39Å; V453-L457 PolarHBondContact O-N 3.5Å; V453-A475 HydrophobicContact CB-CB 4.16Å; V453-A475 HydrophobicContact CG1-CB 3.68Å; V453-P693 HydrophobicContact CG2-CB 3.8Å; V453-P693 HydrophobicContact CG2-CG 4.17Å; V453-Y696 HydrophobicContact CG1-CD2 4.41Å; V453-F703 HydrophobicContact CB-CZ 4.26Å; V453-F703 HydrophobicContact CG1-CZ 4.36Å; V453-F703 HydrophobicContact CG2-CE1 4.4Å; V453-F703 HydrophobicContact CG2-CZ 3.79Å
454	L	87.5	Confident	82.8	Confident	24 Å²	24	65.7 Å²	65.7	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-47.5	177.7	-73.2	168.1	0	0	0	111.4	N450 V451 V456 L457 L458 C472 A475 F476 L479	N450-L454 WeakPolarHBondContact O-CB 3.46Å; N450-L454 VanDerWaalsContact O-CG 3.32Å; N450-L454 WeakPolarHBondContact O-CG 3.37Å; N450-L454 PolarHBondContact O-N 3.47Å; V451-L454 PolarHBondContact O-N 2.99Å; L454-V456 PolarHBondContact O-N 3.4Å; L454-L457 PolarHBondContact O-N 2.58Å; L454-L458 HydrophobicContact CB-CD1 4.49Å; L454-L458 VanDerWaalsContact O-CB 3.26Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CG 3.15Å; L454-L458 PolarHBondContact O-N 2.9Å; L454-C472 HydrophobicContact CD2-CB 4.49Å; L454-C472 WeakPolarHBondContact CD2-O 3.34Å; L454-A475 HydrophobicContact CD2-CB 4.01Å; L454-A475 HydrophobicContact CG-CB 3.92Å; L454-F476 HydrophobicContact CD2-CB 4.46Å; L454-L479 HydrophobicContact CD1-CD2 3.76Å
455	L	85.9	Confident	82.5	Confident	77 Å²	77	64.2 Å²	64.2	40%	0.403	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-46.4	179.7	-167.8	164.3	0	0	0	111.2	V451 V452 L457 L458 T459 L710	V451-L455 VanDerWaalsContact O-CB 3.26Å; V451-L455 WeakPolarHBondContact O-CB 3.41Å; V451-L455 PolarHBondContact O-N 2.96Å; V452-L455 PolarHBondContact O-N 2.79Å; L455-L457 PolarHBondContact O-N 3.04Å; L455-L458 PolarHBondContact O-N 3.28Å; L455-T459 HydrophobicContact CD2-CG2 3.98Å; L455-T459 HydrophobicContact CG-CG2 4.38Å; L455-T459 VanDerWaalsContact O-CB 3.31Å; L455-T459 WeakPolarHBondContact O-CB 3.35Å; L455-T459 VanDerWaalsContact O-CG2 3.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.44Å; L455-T459 PolarHBondContact O-N 3.21Å; L455-T459 PolarHBondContact O-OG1 3.49Å; L455-L710 HydrophobicContact CD2-CD1 3.94Å; L455-L710 HydrophobicContact CD2-CD2 3.62Å; L455-L710 HydrophobicContact CD2-CG 4.45Å
456	V	82.6	Confident	82.3	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-43	176.8	171.4	0	0	0	0	111.6	V452 V453 L454 S460 F703 D706 I707 L710	V452-V456 HydrophobicContact CG1-CG2 4.23Å; V452-V456 WeakPolarHBondContact O-CB 3.14Å; V452-V456 VanDerWaalsContact O-CG2 3.23Å; V452-V456 WeakPolarHBondContact O-CG2 3.18Å; V452-V456 PolarHBondContact O-N 3.11Å; V453-V456 PolarHBondContact O-N 3.1Å; L454-V456 PolarHBondContact O-N 3.4Å; V456-S460 WeakPolarHBondContact O-CB 3.48Å; V456-S460 PolarHBondContact O-N 3.43Å; V456-F703 HydrophobicContact CB-CE2 3.81Å; V456-F703 HydrophobicContact CB-CZ 4.43Å; V456-F703 HydrophobicContact CG1-CD2 3.76Å; V456-F703 HydrophobicContact CG1-CE2 3.46Å; V456-F703 VanDerWaalsContact CG1-CE2 3.46Å; V456-F703 HydrophobicContact CG1-CZ 4.35Å; V456-D706 HydrophobicContact CG1-CB 3.72Å; V456-I707 HydrophobicContact CG1-CG1 4.34Å; V456-I707 HydrophobicContact CG2-CG1 3.95Å; V456-L710 HydrophobicContact CG2-CD2 3.6Å
457	L	80.3	Confident	81.8	Confident	13 Å²	13	63 Å²	63	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-71.9	-37	-179	-69.3	175.4	0	0	0	112.9	V453 L454 L455 R468 M471 F703	V453-L457 HydrophobicContact CG1-CD1 3.73Å; V453-L457 HydrophobicContact CG1-CG 4.38Å; V453-L457 WeakPolarHBondContact O-CB 3.27Å; V453-L457 VanDerWaalsContact O-CG 3.28Å; V453-L457 WeakPolarHBondContact O-CG 3.39Å; V453-L457 PolarHBondContact O-N 3.5Å; L454-L457 PolarHBondContact O-N 2.58Å; L455-L457 PolarHBondContact O-N 3.04Å; L457-R468 HydrophobicContact CD2-CG 4.24Å; L457-M471 HydrophobicContact CD1-CB 4.05Å; L457-F703 HydrophobicContact CD2-CD2 4.29Å; L457-F703 HydrophobicContact CD2-CE2 4.42Å; L457-F703 HydrophobicContact CG-CE2 4.34Å
458	L	82.3	Confident	81.3	Confident	130 Å²	130	63.8 Å²	63.8	68%	0.681	33%	0.329	S	S	*	.	H	α-helix	trans	-81.2	-30.3	-179.1	-66.3	171.3	0	0	0	113.5	L454 L455 S460	L454-L458 HydrophobicContact CB-CD1 4.49Å; L454-L458 VanDerWaalsContact O-CB 3.26Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CG 3.15Å; L454-L458 PolarHBondContact O-N 2.9Å; L455-L458 PolarHBondContact O-N 3.28Å; L458-S460 VanDerWaalsContact C-N 3.33Å
459	T	78.9	Confident	81.2	Confident	67 Å²	67	60.5 Å²	60.5	41%	0.411	31%	0.311	S	S	.	.	S	Bend	trans	-87.8	0.2	176.1	63.1	0	0	0	0	113.7	L455 H461	L455-T459 HydrophobicContact CD2-CG2 3.98Å; L455-T459 HydrophobicContact CG-CG2 4.38Å; L455-T459 VanDerWaalsContact O-CB 3.31Å; L455-T459 WeakPolarHBondContact O-CB 3.35Å; L455-T459 VanDerWaalsContact O-CG2 3.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.44Å; L455-T459 PolarHBondContact O-N 3.21Å; L455-T459 PolarHBondContact O-OG1 3.49Å; T459-H461 PolarHBondContact O-N 3.24Å
460	S	74.9	Confident	81.2	Confident	25 Å²	25	59.8 Å²	59.8	18%	0.175	30%	0.303	C	S	.	.			trans	-72.4	124	178.8	-167	0	0	0	0	111.6	V456 L458 Y462	V456-S460 WeakPolarHBondContact O-CB 3.48Å; V456-S460 PolarHBondContact O-N 3.43Å; L458-S460 VanDerWaalsContact C-N 3.33Å; S460-Y462 PolarHBondContact O-N 2.88Å; S460-Y462 WeakPolarHBondContact OG-CD2 3.18Å
461	H	63.9	Low	80.9	Confident	173 Å²	173	60.9 Å²	60.9	80%	0.801	31%	0.309	S	S	*	.			trans	-74.3	1.6	175.3	-64.1	-86.4	0	0	0	113.6	T459	T459-H461 PolarHBondContact O-N 3.24Å
462	Y	68.3	Low	80.8	Confident	128 Å²	128	58.8 Å²	58.8	50%	0.502	30%	0.296	S	S	.	.	S	Bend	trans	-82.9	146.2	178.2	-64.9	-62.7	0	0	0	112	S460 L464 D706	S460-Y462 PolarHBondContact O-N 2.88Å; S460-Y462 WeakPolarHBondContact OG-CD2 3.18Å; Y462-L464 PolarHBondContact O-N 2.85Å; Y462-D706 WeakPolarHBondContact CD2-OD1 3.18Å; Y462-D706 VanDerWaalsContact CE2-OD1 3.24Å; Y462-D706 WeakPolarHBondContact CE2-OD1 3.27Å
463	K	72.8	Confident	81	Confident	196 Å²	196	56.9 Å²	56.9	85%	0.852	28%	0.282	S	S	*	.			trans	-57	131.8	179.5	-65.5	-171.4	177.5	-172.9	0	111.5	S465	K463-S465 PolarHBondContact O-N 2.68Å; K463-S465 VanDerWaalsContact O-N 3.14Å
464	L	75.1	Confident	81.1	Confident	108 Å²	108	56.7 Å²	56.7	57%	0.565	28%	0.281	S	S	*	.			trans	-58.5	112.1	173.5	-84.1	161.2	0	0	0	110.7	Y462 R468	Y462-L464 PolarHBondContact O-N 2.85Å; L464-R468 HydrophobicContact CD2-CB 4.46Å
465	S	82.6	Confident	81.2	Confident	52 Å²	52	55.5 Å²	55.5	36%	0.364	28%	0.275	S	S	.	.			trans	-90.1	157.3	166.5	57.2	0	0	0	0	110.1	K463 S467 R468 F469	K463-S465 PolarHBondContact O-N 2.68Å; K463-S465 VanDerWaalsContact O-N 3.14Å; S465-S467 PolarHBondContact O-N 2.88Å; S465-R468 PolarHBondContact O-N 2.8Å; S465-F469 PolarHBondContact O-N 2.03Å
466	V	83.8	Confident	81.6	Confident	17 Å²	17	55.4 Å²	55.4	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-52.4	-53	-179.7	178.5	0	0	0	0	111.3	R468 F469 L470 E536 L551 L553 A556	V466-R468 VanDerWaalsContact C-N 3.29Å; V466-R468 PolarHBondContact O-N 2.92Å; V466-F469 WeakPolarHBondContact O-CB 2.93Å; V466-F469 PolarHBondContact O-N 3.49Å; V466-F469 VanDerWaalsContact O-N 3.11Å; V466-L470 HydrophobicContact CG1-CD1 3.99Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CG 3.46Å; V466-L470 PolarHBondContact O-N 3.12Å; V466-E536 HydrophobicContact CB-CG 4.45Å; V466-E536 HydrophobicContact CG1-CG 3.9Å; V466-L551 HydrophobicContact CG1-CD2 4.2Å; V466-L553 HydrophobicContact CG2-CD1 4.46Å; V466-A556 HydrophobicContact CG1-CB 3.5Å; V466-A556 HydrophobicContact CG2-CB 4.46Å
467	S	78.1	Confident	82	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-28.9	175.6	148.4	0	0	0	0	115.4	S465 M471 E536 R537	S465-S467 PolarHBondContact O-N 2.88Å; S467-M471 WeakPolarHBondContact O-CB 2.95Å; S467-M471 WeakPolarHBondContact O-CE 3.45Å; S467-M471 VanDerWaalsContact O-CG 3.23Å; S467-M471 WeakPolarHBondContact O-CG 3.05Å; S467-M471 PolarHBondContact O-N 3.2Å; S467-E536 WeakPolarHBondContact CB-OE1 3.24Å; S467-E536 PolarHBondContact N-OE1 3.41Å; S467-E536 VanDerWaalsContact N-OE1 3.11Å; S467-R537 PolarHBondContact OG-NH1 2.89Å; S467-R537 PolarHBondContact OG-NH2 2.68Å
468	R	80.8	Confident	82.5	Confident	50 Å²	50	54.6 Å²	54.6	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-44.3	172.3	-84	-175	168.9	121.9	-11.1	110.8	L457 L464 S465 V466 L470 M471 C472 D706	L457-R468 HydrophobicContact CD2-CG 4.24Å; L464-R468 HydrophobicContact CD2-CB 4.46Å; S465-R468 PolarHBondContact O-N 2.8Å; V466-R468 VanDerWaalsContact C-N 3.29Å; V466-R468 PolarHBondContact O-N 2.92Å; R468-L470 PolarHBondContact O-N 2.61Å; R468-M471 HydrophobicContact CG-CE 4.1Å; R468-M471 PolarHBondContact O-N 3.5Å; R468-C472 PolarHBondContact O-N 2.8Å; R468-C472 PolarHBondContact O-SG 3.1Å; R468-D706 IonicContact NH2-OD2 3.62Å; R468-D706 PolarHBondContact NH2-OD2 3.18Å; R468-D706 VanDerWaalsContact NH2-OD2 3.13Å
469	F	87.6	Confident	83	Confident	41 Å²	41	49.7 Å²	49.7	18%	0.18	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-43.9	174.9	168.5	-101.3	0	0	0	112.2	S465 V466 C472 H473 L553 A557 M560	S465-F469 PolarHBondContact O-N 2.03Å; V466-F469 WeakPolarHBondContact O-CB 2.93Å; V466-F469 PolarHBondContact O-N 3.49Å; V466-F469 VanDerWaalsContact O-N 3.11Å; F469-C472 WeakPolarHBondContact O-CB 3.47Å; F469-C472 PolarHBondContact O-N 2.94Å; F469-H473 AromaticContact CE1-CD2 3.97Å; F469-H473 AromaticContact CE1-NE2 3.97Å; F469-H473 AromaticContact CE2-CD2 3.91Å; F469-H473 AromaticContact CE2-NE2 3.34Å; F469-H473 VanDerWaalsContact CE2-NE2 3.34Å; F469-H473 WeakPolarHBondContact CE2-NE2 3.43Å; F469-H473 AromaticContact CZ-CD2 3.73Å; F469-H473 AromaticContact CZ-NE2 3.26Å; F469-H473 VanDerWaalsContact CZ-NE2 3.26Å; F469-H473 WeakPolarHBondContact CZ-NE2 3.23Å; F469-H473 PolarHBondContact O-CD2 3.14Å; F469-H473 PolarHBondContact O-N 2.99Å; F469-L553 HydrophobicContact CB-CD1 3.82Å; F469-L553 HydrophobicContact CD1-CD1 3.98Å; F469-L553 HydrophobicContact CD2-CD1 4.39Å; F469-L553 HydrophobicContact CG-CD1 3.81Å; F469-A557 HydrophobicContact CE1-CB 4.35Å; F469-A557 HydrophobicContact CZ-CB 4.05Å; F469-M560 HydrophobicContact CE1-CB 4.21Å; F469-M560 HydrophobicContact CE1-CG 3.75Å; F469-M560 HydrophobicContact CZ-CB 4.36Å; F469-M560 HydrophobicContact CZ-CG 4.32Å
470	L	86.9	Confident	83.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-40.4	175.5	-62.6	174.6	0	0	0	112.8	V466 R468 C472 H473 L474 T529 V532 I533 E536 M560	V466-L470 HydrophobicContact CG1-CD1 3.99Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CG 3.46Å; V466-L470 PolarHBondContact O-N 3.12Å; R468-L470 PolarHBondContact O-N 2.61Å; L470-C472 VanDerWaalsContact C-N 3.29Å; L470-C472 PolarHBondContact O-N 3.1Å; L470-H473 PolarHBondContact O-N 3Å; L470-H473 VanDerWaalsContact O-N 3.14Å; L470-L474 PolarHBondContact O-N 3.48Å; L470-T529 WeakPolarHBondContact O-CG2 3.09Å; L470-V532 HydrophobicContact CD1-CG1 3.98Å; L470-V532 HydrophobicContact CD2-CB 4.42Å; L470-V532 HydrophobicContact CD2-CG1 3.67Å; L470-I533 HydrophobicContact CB-CD1 4.14Å; L470-I533 HydrophobicContact CB-CG1 3.59Å; L470-I533 HydrophobicContact CD1-CG1 3.95Å; L470-I533 HydrophobicContact CG-CG1 4.36Å; L470-E536 HydrophobicContact CD1-CB 4.05Å; L470-E536 HydrophobicContact CD1-CG 4.39Å; L470-M560 HydrophobicContact CD2-CG 3.68Å; L470-M560 HydrophobicContact CD2-SD 3.57Å; L470-M560 VanDerWaalsContact CD2-SD 3.57Å
471	M	84.4	Confident	84.4	Confident	23 Å²	23	45.9 Å²	45.9	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-30.8	175.1	-72	-179.1	-52.4	0	0	112.7	L457 S467 R468 A475 Y696	L457-M471 HydrophobicContact CD1-CB 4.05Å; S467-M471 WeakPolarHBondContact O-CB 2.95Å; S467-M471 WeakPolarHBondContact O-CE 3.45Å; S467-M471 VanDerWaalsContact O-CG 3.23Å; S467-M471 WeakPolarHBondContact O-CG 3.05Å; S467-M471 PolarHBondContact O-N 3.2Å; R468-M471 HydrophobicContact CG-CE 4.1Å; R468-M471 PolarHBondContact O-N 3.5Å; M471-A475 WeakPolarHBondContact O-CB 3.47Å; M471-A475 PolarHBondContact O-N 3.13Å; M471-Y696 HydrophobicContact CG-CE1 4.14Å; M471-Y696 HydrophobicContact CG-CE2 4.39Å; M471-Y696 HydrophobicContact SD-CD1 4.03Å; M471-Y696 HydrophobicContact SD-CE1 3.82Å
472	C	88.2	Confident	85.7	Confident	18 Å²	18	37.6 Å²	37.6	12%	0.122	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-42	170.9	-64.1	0	0	0	0	111.9	L454 R468 F469 L470 F476	L454-C472 HydrophobicContact CD2-CB 4.49Å; L454-C472 WeakPolarHBondContact CD2-O 3.34Å; R468-C472 PolarHBondContact O-N 2.8Å; R468-C472 PolarHBondContact O-SG 3.1Å; F469-C472 WeakPolarHBondContact O-CB 3.47Å; F469-C472 PolarHBondContact O-N 2.94Å; L470-C472 VanDerWaalsContact C-N 3.29Å; L470-C472 PolarHBondContact O-N 3.1Å; C472-F476 WeakPolarHBondContact O-CB 3.35Å; C472-F476 PolarHBondContact O-N 3.37Å
473	H	90.9	Very high	86.9	Confident	36 Å²	36	34.8 Å²	34.8	17%	0.167	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-37.2	177.9	-77.6	-63	0	0	0	112.8	F469 L470 F476 A477 T529 M560 W564	F469-H473 AromaticContact CE1-CD2 3.97Å; F469-H473 AromaticContact CE1-NE2 3.97Å; F469-H473 AromaticContact CE2-CD2 3.91Å; F469-H473 AromaticContact CE2-NE2 3.34Å; F469-H473 VanDerWaalsContact CE2-NE2 3.34Å; F469-H473 WeakPolarHBondContact CE2-NE2 3.43Å; F469-H473 AromaticContact CZ-CD2 3.73Å; F469-H473 AromaticContact CZ-NE2 3.26Å; F469-H473 VanDerWaalsContact CZ-NE2 3.26Å; F469-H473 WeakPolarHBondContact CZ-NE2 3.23Å; F469-H473 PolarHBondContact O-CD2 3.14Å; F469-H473 PolarHBondContact O-N 2.99Å; L470-H473 PolarHBondContact O-N 3Å; L470-H473 VanDerWaalsContact O-N 3.14Å; H473-F476 PolarHBondContact O-N 3.35Å; H473-A477 PolarHBondContact O-N 3.41Å; H473-T529 HydrophobicContact CB-CG2 3.97Å; H473-M560 HydrophobicContact CB-CE 3.92Å; H473-W564 AromaticContact CE1-NE1 3.55Å; H473-W564 AromaticContact ND1-CE2 3.75Å; H473-W564 AromaticContact ND1-CZ2 3.71Å; H473-W564 AromaticContact ND1-NE1 3.25Å; H473-W564 PolarHBondContact ND1-NE1 3.22Å
474	L	87.6	Confident	87.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-47.9	175.6	-161.8	77.9	0	0	0	111	L470 F476 A477 D478 S526 T529 I533 Y696	L470-L474 PolarHBondContact O-N 3.48Å; L474-F476 PolarHBondContact O-N 3.03Å; L474-A477 PolarHBondContact O-N 3.14Å; L474-A477 VanDerWaalsContact O-N 3.09Å; L474-D478 WeakPolarHBondContact O-CB 3.39Å; L474-D478 PolarHBondContact O-N 3.36Å; L474-S526 VanDerWaalsContact CD1-O 3.24Å; L474-S526 WeakPolarHBondContact CD1-O 3.38Å; L474-S526 WeakPolarHBondContact CD1-OG 3.32Å; L474-T529 HydrophobicContact CB-CG2 4.01Å; L474-T529 HydrophobicContact CD1-CG2 4.17Å; L474-I533 HydrophobicContact CD2-CD1 4.47Å; L474-Y696 WeakPolarHBondContact CD2-OH 3.46Å
475	A	90.3	Very high	88.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-28.9	177.2	0	0	0	0	0	113	N450 V453 L454 M471 L479	N450-A475 HydrophobicContact CB-CB 4.44Å; N450-A475 WeakPolarHBondContact CB-O 3.41Å; N450-A475 WeakPolarHBondContact OD1-CA 3.45Å; V453-A475 HydrophobicContact CB-CB 4.16Å; V453-A475 HydrophobicContact CG1-CB 3.68Å; L454-A475 HydrophobicContact CD2-CB 4.01Å; L454-A475 HydrophobicContact CG-CB 3.92Å; M471-A475 WeakPolarHBondContact O-CB 3.47Å; M471-A475 PolarHBondContact O-N 3.13Å; A475-L479 VanDerWaalsContact O-CB 3.24Å; A475-L479 WeakPolarHBondContact O-CB 3.28Å; A475-L479 PolarHBondContact O-N 2.89Å
476	F	93	Very high	88.8	Confident	74 Å²	74	21.2 Å²	21.2	33%	0.325	10%	0.104	S	C	.	.	H	α-helix	trans	-69.8	-43.4	171.5	175.9	-94	0	0	0	112.6	L454 C472 H473 L474 L479 C480 F521 L525 W564	L454-F476 HydrophobicContact CD2-CB 4.46Å; C472-F476 WeakPolarHBondContact O-CB 3.35Å; C472-F476 PolarHBondContact O-N 3.37Å; H473-F476 PolarHBondContact O-N 3.35Å; L474-F476 PolarHBondContact O-N 3.03Å; F476-L479 PolarHBondContact O-N 3.48Å; F476-C480 PolarHBondContact O-N 3.44Å; F476-C480 VanDerWaalsContact O-N 3.1Å; F476-C480 PolarHBondContact O-SG 3.44Å; F476-F521 AromaticContact CE1-CE1 3.93Å; F476-F521 HydrophobicContact CE1-CE1 3.93Å; F476-F521 HydrophobicContact CE1-CZ 4.22Å; F476-L525 HydrophobicContact CD1-CD2 4.25Å; F476-W564 AromaticContact CD1-CH2 3.78Å; F476-W564 HydrophobicContact CD1-CH2 3.78Å; F476-W564 AromaticContact CD1-CZ2 3.77Å; F476-W564 HydrophobicContact CD1-CZ2 3.77Å; F476-W564 AromaticContact CE1-CH2 3.29Å; F476-W564 HydrophobicContact CE1-CH2 3.29Å; F476-W564 AromaticContact CE1-CZ2 3.78Å; F476-W564 HydrophobicContact CE1-CZ2 3.78Å; F476-W564 HydrophobicContact CE1-CZ3 4.21Å; F476-W564 AromaticContact CZ-CH2 3.92Å; F476-W564 HydrophobicContact CZ-CH2 3.92Å
477	A	92.4	Very high	89.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-47.3	174.8	0	0	0	0	0	111.1	H473 L474 L479 C480 M481 A522 L525	H473-A477 PolarHBondContact O-N 3.41Å; L474-A477 PolarHBondContact O-N 3.14Å; L474-A477 VanDerWaalsContact O-N 3.09Å; A477-L479 VanDerWaalsContact C-N 3.29Å; A477-L479 PolarHBondContact O-N 2.95Å; A477-C480 WeakPolarHBondContact O-CA 3.36Å; A477-C480 WeakPolarHBondContact O-CB 3.16Å; A477-C480 PolarHBondContact O-N 3.04Å; A477-M481 PolarHBondContact O-N 3.22Å; A477-A522 WeakPolarHBondContact O-CB 3.45Å; A477-L525 HydrophobicContact CB-CB 4.15Å; A477-L525 HydrophobicContact CB-CD2 4.12Å; A477-L525 HydrophobicContact CB-CG 4.03Å
478	D	90.8	Very high	89.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-30.4	179.2	-69.4	-19.9	0	0	0	112.8	N450 L474 G482 S526 S689 N692	N450-D478 WeakPolarHBondContact ND2-CB 3.18Å; L474-D478 WeakPolarHBondContact O-CB 3.39Å; L474-D478 PolarHBondContact O-N 3.36Å; D478-G482 PolarHBondContact O-N 2.99Å; D478-S526 PolarHBondContact OD1-OG 3.02Å; D478-S689 VanDerWaalsContact CG-CA 3.45Å; D478-S689 WeakPolarHBondContact OD1-CA 3.29Å; D478-S689 VanDerWaalsContact OD1-CB 3.26Å; D478-S689 WeakPolarHBondContact OD1-CB 3.04Å; D478-S689 PolarHBondContact OD1-OG 2.91Å; D478-N692 WeakPolarHBondContact OD2-CB 3.45Å; D478-N692 PolarHBondContact OD2-ND2 3Å
479	L	92.2	Very high	90.1	Very high	26 Å²	26	20 Å²	20	14%	0.136	10%	0.101	C	C	.	.	H	α-helix	trans	-66.1	-41.4	168.4	176.7	57.7	0	0	0	112.1	V447 N450 V451 L454 A475 F476 A477 M481 G482 I483	V447-L479 HydrophobicContact CB-CD1 4.25Å; V447-L479 HydrophobicContact CG1-CD1 3.98Å; V447-L479 HydrophobicContact CG2-CD1 4.22Å; N450-L479 HydrophobicContact CB-CB 4.07Å; V451-L479 HydrophobicContact CG2-CD1 3.82Å; V451-L479 HydrophobicContact CG2-CD2 4.03Å; L454-L479 HydrophobicContact CD1-CD2 3.76Å; A475-L479 VanDerWaalsContact O-CB 3.24Å; A475-L479 WeakPolarHBondContact O-CB 3.28Å; A475-L479 PolarHBondContact O-N 2.89Å; F476-L479 PolarHBondContact O-N 3.48Å; A477-L479 VanDerWaalsContact C-N 3.29Å; A477-L479 PolarHBondContact O-N 2.95Å; L479-M481 VanDerWaalsContact C-N 3.35Å; L479-G482 PolarHBondContact O-N 2.99Å; L479-I483 HydrophobicContact CD1-CD1 4.21Å; L479-I483 HydrophobicContact CD1-CG1 4.35Å; L479-I483 HydrophobicContact CG-CD1 4.09Å; L479-I483 WeakPolarHBondContact O-CG1 3.35Å; L479-I483 PolarHBondContact O-N 2.89Å
480	C	93.1	Very high	90.2	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.054	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-39.2	175.8	-65.7	0	0	0	0	111.7	F476 A477 G482 I483 Y484 F518 A522	F476-C480 PolarHBondContact O-N 3.44Å; F476-C480 VanDerWaalsContact O-N 3.1Å; F476-C480 PolarHBondContact O-SG 3.44Å; A477-C480 WeakPolarHBondContact O-CA 3.36Å; A477-C480 WeakPolarHBondContact O-CB 3.16Å; A477-C480 PolarHBondContact O-N 3.04Å; C480-G482 PolarHBondContact O-N 3.48Å; C480-I483 PolarHBondContact O-N 2.99Å; C480-Y484 PolarHBondContact O-N 3.29Å; C480-F518 HydrophobicContact CB-CD1 4.31Å; C480-A522 HydrophobicContact CB-CB 3.65Å
481	M	90.5	Very high	90.3	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-44.4	169.9	-78	-50.8	-58.7	0	0	112.1	A477 L479 I483 Y484 L485 A522 Y685	A477-M481 PolarHBondContact O-N 3.22Å; L479-M481 VanDerWaalsContact C-N 3.35Å; M481-I483 PolarHBondContact O-N 3.18Å; M481-Y484 HydrophobicContact CE-CD1 3.79Å; M481-Y484 HydrophobicContact CE-CE1 3.99Å; M481-Y484 PolarHBondContact O-N 3.1Å; M481-L485 PolarHBondContact O-N 2.79Å; M481-A522 HydrophobicContact CB-CB 4.49Å; M481-A522 HydrophobicContact CG-CB 3.67Å; M481-A522 HydrophobicContact SD-CB 3.64Å; M481-Y685 HydrophobicContact CE-CD1 3.7Å; M481-Y685 HydrophobicContact CE-CE1 3.58Å; M481-Y685 HydrophobicContact SD-CE1 4.39Å
482	G	90.8	Very high	90.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-41.4	177	0	0	0	0	0	113.5	D478 L479 C480 L485 L486	D478-G482 PolarHBondContact O-N 2.99Å; L479-G482 PolarHBondContact O-N 2.99Å; C480-G482 PolarHBondContact O-N 3.48Å; G482-L485 PolarHBondContact O-N 3.37Å; G482-L486 WeakPolarHBondContact O-CB 3.37Å; G482-L486 PolarHBondContact O-N 3.07Å
483	I	92.1	Very high	90.4	Very high	69 Å²	69	25.9 Å²	25.9	35%	0.354	14%	0.139	S	C	.	.	H	α-helix	trans	-64.9	-43.7	176.3	-68.9	165.1	0	0	0	111.1	V447 L479 C480 M481 L486 L487	V447-I483 HydrophobicContact CG2-CG1 4.48Å; L479-I483 HydrophobicContact CD1-CD1 4.21Å; L479-I483 HydrophobicContact CD1-CG1 4.35Å; L479-I483 HydrophobicContact CG-CD1 4.09Å; L479-I483 WeakPolarHBondContact O-CG1 3.35Å; L479-I483 PolarHBondContact O-N 2.89Å; C480-I483 PolarHBondContact O-N 2.99Å; M481-I483 PolarHBondContact O-N 3.18Å; I483-L486 PolarHBondContact O-N 3.06Å; I483-L487 WeakPolarHBondContact O-CB 3.5Å; I483-L487 PolarHBondContact O-N 3.07Å
484	Y	91.8	Very high	90.2	Very high	6 Å²	6	32 Å²	32	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-48.8	174.9	151.2	-102.7	0	0	0	111.8	C480 M481 L486 L487 I488 A515 T519 I586	C480-Y484 PolarHBondContact O-N 3.29Å; M481-Y484 HydrophobicContact CE-CD1 3.79Å; M481-Y484 HydrophobicContact CE-CE1 3.99Å; M481-Y484 PolarHBondContact O-N 3.1Å; Y484-L486 PolarHBondContact O-N 2.94Å; Y484-L487 WeakPolarHBondContact O-CB 3.47Å; Y484-L487 PolarHBondContact O-N 2.93Å; Y484-I488 HydrophobicContact CD2-CG1 4.06Å; Y484-I488 HydrophobicContact CE2-CD1 4.11Å; Y484-I488 HydrophobicContact CE2-CG1 3.72Å; Y484-I488 WeakPolarHBondContact O-CG1 3.38Å; Y484-I488 PolarHBondContact O-N 3.27Å; Y484-A515 HydrophobicContact CD2-CB 4.19Å; Y484-A515 WeakPolarHBondContact CD2-O 3.42Å; Y484-A515 HydrophobicContact CE2-CB 4.43Å; Y484-T519 HydrophobicContact CD2-CG2 4.39Å; Y484-T519 WeakPolarHBondContact CE1-OG1 3.39Å; Y484-T519 HydrophobicContact CE2-CG2 3.99Å; Y484-I586 WeakPolarHBondContact OH-CG2 3.14Å
485	L	89.6	Confident	90	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-43.9	177.5	-72.8	-177.1	0	0	0	112.8	V439 V442 M481 G482 L487 I488 A489 P686	V439-L485 HydrophobicContact CG1-CB 4.35Å; V442-L485 HydrophobicContact CG1-CD1 4.02Å; M481-L485 PolarHBondContact O-N 2.79Å; G482-L485 PolarHBondContact O-N 3.37Å; L485-L487 VanDerWaalsContact C-N 3.27Å; L485-L487 PolarHBondContact O-N 3.14Å; L485-I488 PolarHBondContact O-N 2.98Å; L485-A489 WeakPolarHBondContact O-CB 3.13Å; L485-A489 PolarHBondContact O-N 3.15Å; L485-P686 HydrophobicContact CD1-CB 3.56Å; L485-P686 HydrophobicContact CD1-CG 3.84Å; L485-P686 HydrophobicContact CD2-CB 4.4Å; L485-P686 HydrophobicContact CD2-CG 3.85Å; L485-P686 HydrophobicContact CG-CB 4.28Å; L485-P686 HydrophobicContact CG-CG 4.27Å
486	L	90.4	Very high	89.5	Confident	57 Å²	57	40.4 Å²	40.4	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-38.2	179.7	-174.9	65.1	0	0	0	111.3	W440 G482 I483 Y484 A489 S490	W440-L486 HydrophobicContact CE3-CD1 3.99Å; W440-L486 HydrophobicContact CH2-CD1 4.13Å; W440-L486 HydrophobicContact CZ3-CD1 3.49Å; W440-L486 VanDerWaalsContact CZ3-CD1 3.49Å; G482-L486 WeakPolarHBondContact O-CB 3.37Å; G482-L486 PolarHBondContact O-N 3.07Å; I483-L486 PolarHBondContact O-N 3.06Å; Y484-L486 PolarHBondContact O-N 2.94Å; L486-A489 PolarHBondContact O-N 2.93Å; L486-S490 WeakPolarHBondContact O-CB 3.26Å; L486-S490 PolarHBondContact O-N 2.65Å
487	L	91.2	Very high	88.5	Confident	46 Å²	46	41.2 Å²	41.2	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-46	175.1	177.2	152.6	0	0	0	111.7	I483 Y484 L485 A489 S490 V491 W506 A515	I483-L487 WeakPolarHBondContact O-CB 3.5Å; I483-L487 PolarHBondContact O-N 3.07Å; Y484-L487 WeakPolarHBondContact O-CB 3.47Å; Y484-L487 PolarHBondContact O-N 2.93Å; L485-L487 VanDerWaalsContact C-N 3.27Å; L485-L487 PolarHBondContact O-N 3.14Å; L487-A489 PolarHBondContact O-N 2.86Å; L487-S490 PolarHBondContact O-N 3.22Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 3.36Å; L487-W506 HydrophobicContact CD2-CH2 3.8Å; L487-A515 HydrophobicContact CD2-CB 3.77Å
488	I	89	Confident	87.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-41.4	174.9	-59.3	-63.9	0	0	0	111.3	I429 M430 Y484 L485 S490 V491 D492 W506 A515	I429-I488 HydrophobicContact CG2-CG2 3.84Å; M430-I488 HydrophobicContact CE-CB 4.43Å; M430-I488 HydrophobicContact CE-CG2 3.52Å; Y484-I488 HydrophobicContact CD2-CG1 4.06Å; Y484-I488 HydrophobicContact CE2-CD1 4.11Å; Y484-I488 HydrophobicContact CE2-CG1 3.72Å; Y484-I488 WeakPolarHBondContact O-CG1 3.38Å; Y484-I488 PolarHBondContact O-N 3.27Å; L485-I488 PolarHBondContact O-N 2.98Å; I488-S490 VanDerWaalsContact C-N 3.34Å; I488-S490 PolarHBondContact O-N 3.4Å; I488-V491 PolarHBondContact O-N 3.47Å; I488-D492 PolarHBondContact O-N 3.42Å; I488-W506 HydrophobicContact CD1-CH2 4.41Å; I488-W506 HydrophobicContact CD1-CZ2 3.79Å; I488-A515 HydrophobicContact CD1-CB 4.13Å
489	A	89	Confident	87.3	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-36.5	179.3	0	0	0	0	0	113.1	V439 W440 L485 L486 L487 L493	V439-A489 HydrophobicContact CG1-CB 3.84Å; W440-A489 HydrophobicContact CD2-CB 4.17Å; W440-A489 HydrophobicContact CG-CB 4.45Å; W440-A489 HydrophobicContact CZ2-CB 4.04Å; L485-A489 WeakPolarHBondContact O-CB 3.13Å; L485-A489 PolarHBondContact O-N 3.15Å; L486-A489 PolarHBondContact O-N 2.93Å; L487-A489 PolarHBondContact O-N 2.86Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 PolarHBondContact O-N 3.22Å
490	S	90	Very high	86.8	Confident	66 Å²	66	47.1 Å²	47.1	46%	0.462	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-39.9	173.8	-172.4	0	0	0	0	112.1	L486 L487 I488 L493 H494	L486-S490 WeakPolarHBondContact O-CB 3.26Å; L486-S490 PolarHBondContact O-N 2.65Å; L487-S490 PolarHBondContact O-N 3.22Å; I488-S490 VanDerWaalsContact C-N 3.34Å; I488-S490 PolarHBondContact O-N 3.4Å; S490-L493 PolarHBondContact O-N 3.27Å; S490-H494 PolarHBondContact O-N 3.28Å
491	V	88.8	Confident	86.3	Confident	26 Å²	26	47.7 Å²	47.7	16%	0.158	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-41	179.7	179.4	0	0	0	0	111.9	I429 L487 I488 L493 H494 T495 W506	I429-V491 HydrophobicContact CD1-CB 4.24Å; I429-V491 HydrophobicContact CD1-CG1 3.66Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 3.36Å; I488-V491 PolarHBondContact O-N 3.47Å; V491-L493 VanDerWaalsContact C-N 3.27Å; V491-L493 PolarHBondContact O-N 3.34Å; V491-H494 PolarHBondContact O-N 2.83Å; V491-H494 VanDerWaalsContact O-N 3.17Å; V491-T495 HydrophobicContact CG1-CG2 4.18Å; V491-T495 PolarHBondContact O-N 3.4Å; V491-T495 PolarHBondContact O-OG1 3.03Å; V491-W506 HydrophobicContact CB-CZ3 4.39Å; V491-W506 HydrophobicContact CG1-CD2 3.96Å; V491-W506 HydrophobicContact CG1-CE3 3.83Å; V491-W506 HydrophobicContact CG1-CH2 4.49Å; V491-W506 HydrophobicContact CG1-CZ3 4.09Å; V491-W506 HydrophobicContact CG2-CE3 4.16Å; V491-W506 HydrophobicContact CG2-CH2 3.89Å; V491-W506 HydrophobicContact CG2-CZ3 3.6Å
492	D	87.8	Confident	86.1	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-41.2	173.4	-172.7	97.1	0	0	0	111.2	I429 M430 R436 I488 R496	I429-D492 HydrophobicContact CB-CB 4.36Å; I429-D492 PolarHBondContact N-OD1 2.93Å; M430-D492 WeakPolarHBondContact CB-OD1 3.06Å; M430-D492 HydrophobicContact CG-CB 4.3Å; M430-D492 PolarHBondContact N-OD1 3.21Å; R436-D492 VanDerWaalsContact CD-OD2 3.24Å; R436-D492 WeakPolarHBondContact CD-OD2 3.26Å; R436-D492 IonicContact CZ-OD2 2.72Å; R436-D492 IonicContact NE-OD2 2.81Å; R436-D492 IonicContact NH1-OD1 3.2Å; R436-D492 IonicContact NH1-OD2 2.77Å; R436-D492 PolarHBondContact NH1-OD2 2.85Å; I488-D492 PolarHBondContact O-N 3.42Å; D492-R496 WeakPolarHBondContact O-CA 3.39Å; D492-R496 PolarHBondContact O-N 3.31Å; D492-R496 VanDerWaalsContact O-N 3.17Å
493	L	87.1	Confident	85.7	Confident	105 Å²	105	49.8 Å²	49.8	55%	0.55	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-42.4	175.4	-178.6	62	0	0	0	112.5	W440 A489 S490 V491	W440-L493 HydrophobicContact CZ2-CD2 4.19Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 PolarHBondContact O-N 3.22Å; S490-L493 PolarHBondContact O-N 3.27Å; V491-L493 VanDerWaalsContact C-N 3.27Å; V491-L493 PolarHBondContact O-N 3.34Å
494	H	87.3	Confident	85.3	Confident	165 Å²	165	47.1 Å²	47.1	76%	0.764	24%	0.239	S	C	*	.	H	α-helix	trans	-72.5	-39.1	-178.6	-175.1	61.8	0	0	0	113.3	S490 V491	S490-H494 PolarHBondContact O-N 3.28Å; V491-H494 PolarHBondContact O-N 2.83Å; V491-H494 VanDerWaalsContact O-N 3.17Å
495	T	83.6	Confident	85	Confident	11 Å²	11	49.8 Å²	49.8	7%	0.067	25%	0.254	C	S	.	.	S	Bend	trans	-91.7	4.8	-178	64.6	0	0	0	0	114.4	V491 S497 E498 Y499 H502	V491-T495 HydrophobicContact CG1-CG2 4.18Å; V491-T495 PolarHBondContact O-N 3.4Å; V491-T495 PolarHBondContact O-OG1 3.03Å; T495-S497 PolarHBondContact O-N 3.04Å; T495-E498 CarbonylContact O-C 3.18Å; T495-E498 VanDerWaalsContact O-C 3.3Å; T495-E498 PolarHBondContact O-N 2.84Å; T495-Y499 PolarHBondContact O-N 2.89Å; T495-H502 HydrophobicContact CG2-CB 3.77Å
496	R	78.3	Confident	85	Confident	165 Å²	165	50.3 Å²	50.3	62%	0.623	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	123.5	-171.4	-179.3	177.9	177.9	169.1	-0.1	113.4	D492 E498	D492-R496 WeakPolarHBondContact O-CA 3.39Å; D492-R496 PolarHBondContact O-N 3.31Å; D492-R496 VanDerWaalsContact O-N 3.17Å; R496-E498 PolarHBondContact O-N 3.25Å; R496-E498 VanDerWaalsContact O-N 3.09Å
497	S	72.4	Confident	84.8	Confident	90 Å²	90	48.2 Å²	48.2	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	-4.3	-179.7	71.8	0	0	0	0	116.9	D428 T495	D428-S497 WeakPolarHBondContact OD1-CA 3.28Å; D428-S497 PolarHBondContact OD1-N 2.99Å; T495-S497 PolarHBondContact O-N 3.04Å
498	E	78.1	Confident	84.5	Confident	108 Å²	108	48.9 Å²	48.9	51%	0.505	25%	0.25	S	S	.	.			trans	-121.3	18.9	170	-60.9	-161.3	162.8	0	0	112.1	T495 R496 F500 N501 H502	T495-E498 CarbonylContact O-C 3.18Å; T495-E498 VanDerWaalsContact O-C 3.3Å; T495-E498 PolarHBondContact O-N 2.84Å; R496-E498 PolarHBondContact O-N 3.25Å; R496-E498 VanDerWaalsContact O-N 3.09Å; E498-F500 PolarHBondContact O-N 2.95Å; E498-N501 PolarHBondContact O-N 3.42Å; E498-H502 PolarHBondContact O-N 2.85Å; E498-H502 PolarHBondContact O-ND1 3.36Å
499	Y	80.3	Confident	84.4	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.02	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-57.2	-35.8	179.6	176.4	-106.9	0	0	0	111.5	E427 I429 T495 N501 H502 A503 W506 S585	E427-Y499 WeakPolarHBondContact O-CD1 3.31Å; I429-Y499 HydrophobicContact CD1-CD2 3.95Å; I429-Y499 HydrophobicContact CD1-CE2 3.74Å; I429-Y499 HydrophobicContact CG1-CD2 3.61Å; I429-Y499 HydrophobicContact CG1-CE1 4.37Å; I429-Y499 HydrophobicContact CG1-CE2 3.41Å; I429-Y499 VanDerWaalsContact CG1-CE2 3.41Å; I429-Y499 HydrophobicContact CG1-CG 4.19Å; T495-Y499 PolarHBondContact O-N 2.89Å; Y499-N501 PolarHBondContact O-N 2.72Å; Y499-H502 CarbonylContact O-C 3.37Å; Y499-H502 PolarHBondContact O-N 3.19Å; Y499-A503 HydrophobicContact CD1-CB 4.27Å; Y499-A503 HydrophobicContact CE1-CB 3.69Å; Y499-A503 HydrophobicContact CE2-CB 3.99Å; Y499-A503 WeakPolarHBondContact O-CB 3.33Å; Y499-A503 PolarHBondContact O-N 2.67Å; Y499-W506 AromaticContact CE2-CD1 3.98Å; Y499-W506 HydrophobicContact CE2-CG 4.47Å; Y499-S585 WeakPolarHBondContact OH-CB 3.48Å
500	F	80.8	Confident	84.4	Confident	38 Å²	38	55 Å²	55	17%	0.167	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-54.6	-28.7	176.3	77	-92.1	0	0	0	114.2	I275 S290 C293 E498	I275-F500 HydrophobicContact CD1-CE2 4.08Å; I275-F500 HydrophobicContact CD1-CZ 4.45Å; I275-F500 HydrophobicContact CG1-CE2 4.12Å; I275-F500 HydrophobicContact CG1-CZ 4.02Å; S290-F500 WeakPolarHBondContact O-CB 3.49Å; C293-F500 HydrophobicContact CB-CB 4.17Å; E498-F500 PolarHBondContact O-N 2.95Å
501	N	84.2	Confident	84.3	Confident	20 Å²	20	54 Å²	54	11%	0.107	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-97.1	-3.9	179.9	-146.2	19.4	0	0	0	112.9	K271 L272 E498 Y499	K271-N501 VanDerWaalsContact CA-OD1 3.24Å; K271-N501 WeakPolarHBondContact CA-OD1 3.37Å; K271-N501 WeakPolarHBondContact CG-O 3.17Å; L272-N501 PolarHBondContact N-OD1 3.21Å; L272-N501 PolarHBondContact O-ND2 2.9Å; E498-N501 PolarHBondContact O-N 3.42Å; Y499-N501 PolarHBondContact O-N 2.72Å
502	H	85.3	Confident	84.4	Confident	48 Å²	48	52.8 Å²	52.8	22%	0.222	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-16.4	-179.6	-69.5	91.9	0	0	0	113.1	K271 T495 E498 Y499 I504 D505 W506	K271-H502 PolarHBondContact NZ-CD2 3.49Å; K271-H502 PolarHBondContact NZ-NE2 3.34Å; T495-H502 HydrophobicContact CG2-CB 3.77Å; E498-H502 PolarHBondContact O-N 2.85Å; E498-H502 PolarHBondContact O-ND1 3.36Å; Y499-H502 CarbonylContact O-C 3.37Å; Y499-H502 PolarHBondContact O-N 3.19Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 PolarHBondContact O-N 3.19Å; H502-D505 PolarHBondContact O-N 2.99Å; H502-D505 VanDerWaalsContact O-N 3.14Å; H502-W506 WeakPolarHBondContact O-CB 3.31Å; H502-W506 PolarHBondContact O-N 3.02Å
503	A	82.6	Confident	84.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.2	-43.9	-176.9	0	0	0	0	0	112.4	Y499 W506 Q507	Y499-A503 HydrophobicContact CD1-CB 4.27Å; Y499-A503 HydrophobicContact CE1-CB 3.69Å; Y499-A503 HydrophobicContact CE2-CB 3.99Å; Y499-A503 WeakPolarHBondContact O-CB 3.33Å; Y499-A503 PolarHBondContact O-N 2.67Å; A503-W506 PolarHBondContact O-N 2.81Å; A503-Q507 VanDerWaalsContact O-CB 3.24Å; A503-Q507 WeakPolarHBondContact O-CB 3.47Å; A503-Q507 VanDerWaalsContact O-CG 3.27Å; A503-Q507 WeakPolarHBondContact O-CG 3.39Å; A503-Q507 PolarHBondContact O-N 2.78Å; A503-Q507 PolarHBondContact O-OE1 3.12Å
504	I	83.8	Confident	84.8	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-41.5	-179.6	-52.5	-53.7	0	0	0	111.4	K270 Y288 H502 T508	K270-I504 HydrophobicContact CB-CB 4.49Å; K270-I504 HydrophobicContact CB-CG2 4.33Å; K270-I504 HydrophobicContact CD-CG2 3.95Å; K270-I504 HydrophobicContact CG-CG2 3.87Å; Y288-I504 HydrophobicContact CD1-CD1 3.45Å; Y288-I504 VanDerWaalsContact CD1-CD1 3.45Å; Y288-I504 HydrophobicContact CD1-CG1 3.88Å; Y288-I504 HydrophobicContact CD1-CG2 4.44Å; Y288-I504 HydrophobicContact CD2-CG1 4.29Å; Y288-I504 HydrophobicContact CE1-CD1 3.94Å; Y288-I504 HydrophobicContact CE1-CG1 4.22Å; Y288-I504 HydrophobicContact CE1-CG2 3.93Å; Y288-I504 HydrophobicContact CE2-CG2 4.37Å; Y288-I504 HydrophobicContact CG-CD1 3.88Å; Y288-I504 HydrophobicContact CG-CG1 3.91Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 PolarHBondContact O-N 3.19Å; I504-T508 HydrophobicContact CG2-CG2 4.27Å; I504-T508 VanDerWaalsContact O-CB 3.32Å; I504-T508 WeakPolarHBondContact O-CB 3.3Å; I504-T508 WeakPolarHBondContact O-CG2 3.28Å; I504-T508 PolarHBondContact O-N 2.76Å; I504-T508 PolarHBondContact O-OG1 3.11Å
505	D	86.1	Confident	85	Confident	62 Å²	62	44.4 Å²	44.4	33%	0.332	24%	0.242	S	C	.	.	H	α-helix	trans	-68.9	-34.2	175.3	-82.9	-34.3	0	0	0	112.8	K270 K271 H502 G509	K270-D505 WeakPolarHBondContact CD-OD1 3.25Å; K270-D505 WeakPolarHBondContact CE-OD1 3.14Å; K270-D505 IonicContact NZ-OD1 3.13Å; K270-D505 PolarHBondContact NZ-OD1 3.03Å; K271-D505 WeakPolarHBondContact CE-OD2 3.39Å; K271-D505 IonicContact NZ-OD2 2.67Å; H502-D505 PolarHBondContact O-N 2.99Å; H502-D505 VanDerWaalsContact O-N 3.14Å; D505-G509 WeakPolarHBondContact O-CA 3.35Å; D505-G509 PolarHBondContact O-N 2.65Å; D505-G509 VanDerWaalsContact O-N 3.1Å
506	W	88.4	Confident	85.4	Confident	18 Å²	18	43.9 Å²	43.9	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-58.7	173	172.3	-118.1	0	0	0	111.3	L487 I488 V491 Y499 H502 A503 T508 G509 S511 C512 S585 C587	L487-W506 HydrophobicContact CD2-CH2 3.8Å; I488-W506 HydrophobicContact CD1-CH2 4.41Å; I488-W506 HydrophobicContact CD1-CZ2 3.79Å; V491-W506 HydrophobicContact CB-CZ3 4.39Å; V491-W506 HydrophobicContact CG1-CD2 3.96Å; V491-W506 HydrophobicContact CG1-CE3 3.83Å; V491-W506 HydrophobicContact CG1-CH2 4.49Å; V491-W506 HydrophobicContact CG1-CZ3 4.09Å; V491-W506 HydrophobicContact CG2-CE3 4.16Å; V491-W506 HydrophobicContact CG2-CH2 3.89Å; V491-W506 HydrophobicContact CG2-CZ3 3.6Å; Y499-W506 AromaticContact CE2-CD1 3.98Å; Y499-W506 HydrophobicContact CE2-CG 4.47Å; H502-W506 WeakPolarHBondContact O-CB 3.31Å; H502-W506 PolarHBondContact O-N 3.02Å; A503-W506 PolarHBondContact O-N 2.81Å; W506-T508 PolarHBondContact O-N 2.81Å; W506-G509 PolarHBondContact O-N 3.41Å; W506-G509 VanDerWaalsContact O-N 3.11Å; W506-S511 VanDerWaalsContact CZ3-CB 3.48Å; W506-S511 WeakPolarHBondContact CZ3-OG 3.24Å; W506-C512 HydrophobicContact CD2-CB 4.47Å; W506-C512 HydrophobicContact CZ2-CB 4.31Å; W506-C512 WeakPolarHBondContact O-CB 3.24Å; W506-S585 PolarHBondContact NE1-O 3.23Å; W506-C587 WeakPolarHBondContact CZ2-SG 3.34Å
507	Q	86.4	Confident	86.1	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-40.1	-174.9	-71.6	176	-57.3	0	0	112.8	A503 G509 Q582 K583	A503-Q507 VanDerWaalsContact O-CB 3.24Å; A503-Q507 WeakPolarHBondContact O-CB 3.47Å; A503-Q507 VanDerWaalsContact O-CG 3.27Å; A503-Q507 WeakPolarHBondContact O-CG 3.39Å; A503-Q507 PolarHBondContact O-N 2.78Å; A503-Q507 PolarHBondContact O-OE1 3.12Å; Q507-G509 VanDerWaalsContact C-N 3.29Å; Q507-Q582 WeakPolarHBondContact CB-O 3.37Å; Q507-Q582 PolarHBondContact NE2-O 3.1Å; Q507-Q582 WeakPolarHBondContact O-CB 3.49Å; Q507-Q582 WeakPolarHBondContact O-CG 3.05Å; Q507-K583 PolarHBondContact NE2-O 3.1Å
508	T	85.3	Confident	87.1	Confident	61 Å²	61	35.9 Å²	35.9	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	175.2	64.5	0	0	0	0	113.4	K270 I504 W506	K270-T508 PolarHBondContact NZ-OG1 2.86Å; I504-T508 HydrophobicContact CG2-CG2 4.27Å; I504-T508 VanDerWaalsContact O-CB 3.32Å; I504-T508 WeakPolarHBondContact O-CB 3.3Å; I504-T508 WeakPolarHBondContact O-CG2 3.28Å; I504-T508 PolarHBondContact O-N 2.76Å; I504-T508 PolarHBondContact O-OG1 3.11Å; W506-T508 PolarHBondContact O-N 2.81Å
509	G	86.4	Confident	87.6	Confident	11 Å²	11	30.7 Å²	30.7	11%	0.113	17%	0.173	C	C	.	.	S	Bend	trans	-82.8	154.6	-177.5	0	0	0	0	0	113.8	D505 W506 Q507 S511 C512	D505-G509 WeakPolarHBondContact O-CA 3.35Å; D505-G509 PolarHBondContact O-N 2.65Å; D505-G509 VanDerWaalsContact O-N 3.1Å; W506-G509 PolarHBondContact O-N 3.41Å; W506-G509 VanDerWaalsContact O-N 3.11Å; Q507-G509 VanDerWaalsContact C-N 3.29Å; G509-S511 PolarHBondContact O-N 2.98Å; G509-C512 PolarHBondContact O-N 2.69Å
510	P	88.6	Confident	88.1	Confident	122 Å²	122	30.8 Å²	30.8	79%	0.792	17%	0.174	S	C	*	.	H	α-helix	trans	-63.8	-22.8	178.8	27.6	-35.5	0	0	0	112.8	G513 L514	P510-G513 PolarHBondContact O-N 3.21Å; P510-L514 WeakPolarHBondContact O-CB 3.49Å; P510-L514 PolarHBondContact O-N 3.45Å
511	S	88.6	Confident	88.7	Confident	47 Å²	47	29.4 Å²	29.4	33%	0.329	17%	0.168	S	C	.	.	H	α-helix	trans	-64.7	-35.8	176.5	52.1	0	0	0	0	113.3	W506 G509 L514 A515	W506-S511 VanDerWaalsContact CZ3-CB 3.48Å; W506-S511 WeakPolarHBondContact CZ3-OG 3.24Å; G509-S511 PolarHBondContact O-N 2.98Å; S511-L514 PolarHBondContact O-N 3.14Å; S511-A515 WeakPolarHBondContact O-CB 3.47Å; S511-A515 PolarHBondContact O-N 2.91Å
512	C	91.1	Very high	89.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-73	-37.4	175.4	-174	0	0	0	0	111.3	W506 G509 L514 A515 G516 C587	W506-C512 HydrophobicContact CD2-CB 4.47Å; W506-C512 HydrophobicContact CZ2-CB 4.31Å; W506-C512 WeakPolarHBondContact O-CB 3.24Å; G509-C512 PolarHBondContact O-N 2.69Å; C512-L514 PolarHBondContact O-N 3.38Å; C512-A515 PolarHBondContact O-N 3.22Å; C512-G516 PolarHBondContact O-N 3.35Å; C512-C587 WeakPolarHBondContact CA-SG 3.48Å; C512-C587 HydrophobicContact CB-CB 4.16Å; C512-C587 WeakPolarHBondContact CB-SG 3.48Å; C512-C587 WeakPolarHBondContact O-CB 3.3Å; C512-C587 WeakPolarHBondContact SG-CB 3.43Å; C512-C587 CovalentContact SG-SG 2.03Å; C512-C587 PolarHBondContact SG-SG 2.79Å
513	G	91.7	Very high	89.1	Confident	16 Å²	16	27 Å²	27	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-42.8	170	0	0	0	0	0	112.9	P510 G516 F517	P510-G513 PolarHBondContact O-N 3.21Å; G513-G516 PolarHBondContact O-N 3.45Å; G513-F517 WeakPolarHBondContact O-CB 3.44Å; G513-F517 PolarHBondContact O-N 3.04Å
514	L	92.1	Very high	89.4	Confident	85 Å²	85	27.7 Å²	27.7	45%	0.445	16%	0.161	S	C	.	.	H	α-helix	trans	-66.4	-39.8	176.2	-174.9	63	0	0	0	112.5	P510 S511 C512 F517 F518	P510-L514 WeakPolarHBondContact O-CB 3.49Å; P510-L514 PolarHBondContact O-N 3.45Å; S511-L514 PolarHBondContact O-N 3.14Å; C512-L514 PolarHBondContact O-N 3.38Å; L514-F517 PolarHBondContact O-N 3.32Å; L514-F518 HydrophobicContact CD1-CD2 3.98Å; L514-F518 HydrophobicContact CD1-CE2 3.58Å; L514-F518 HydrophobicContact CD1-CZ 4.35Å; L514-F518 HydrophobicContact CD2-CE2 4.24Å; L514-F518 HydrophobicContact CG-CD2 3.92Å; L514-F518 HydrophobicContact CG-CE2 3.73Å; L514-F518 VanDerWaalsContact O-CD2 3.27Å; L514-F518 WeakPolarHBondContact O-CD2 3.46Å; L514-F518 PolarHBondContact O-N 3.32Å
515	A	92.1	Very high	89.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-46.6	174.2	0	0	0	0	0	111.8	Y484 L487 I488 S511 C512 F518 T519 C587	Y484-A515 HydrophobicContact CD2-CB 4.19Å; Y484-A515 WeakPolarHBondContact CD2-O 3.42Å; Y484-A515 HydrophobicContact CE2-CB 4.43Å; L487-A515 HydrophobicContact CD2-CB 3.77Å; I488-A515 HydrophobicContact CD1-CB 4.13Å; S511-A515 WeakPolarHBondContact O-CB 3.47Å; S511-A515 PolarHBondContact O-N 2.91Å; C512-A515 PolarHBondContact O-N 3.22Å; A515-F518 PolarHBondContact O-N 2.79Å; A515-T519 PolarHBondContact O-N 3.28Å; A515-C587 HydrophobicContact CB-CB 4.04Å
516	G	91.2	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-41	176.6	0	0	0	0	0	113.4	C512 G513 T519 V520 Y581 C587	C512-G516 PolarHBondContact O-N 3.35Å; G513-G516 PolarHBondContact O-N 3.45Å; G516-T519 WeakPolarHBondContact O-CG2 3.29Å; G516-V520 WeakPolarHBondContact O-CG2 3.14Å; G516-V520 PolarHBondContact O-N 2.68Å; G516-Y581 VanDerWaalsContact C-CE1 3.46Å; G516-Y581 WeakPolarHBondContact O-CE1 3.38Å; G516-Y581 VanDerWaalsContact O-CZ 3.24Å; G516-Y581 PolarHBondContact O-OH 3.18Å; G516-Y581 VanDerWaalsContact O-OH 3.14Å; G516-C587 WeakPolarHBondContact CA-O 3.29Å
517	F	93.8	Very high	89.8	Confident	36 Å²	36	24.2 Å²	24.2	16%	0.158	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-52.7	171.9	174.5	-93.2	0	0	0	111.3	G513 L514 T519 F521 L568 A571 L572 L575	G513-F517 WeakPolarHBondContact O-CB 3.44Å; G513-F517 PolarHBondContact O-N 3.04Å; L514-F517 PolarHBondContact O-N 3.32Å; F517-T519 PolarHBondContact O-N 3Å; F517-F521 HydrophobicContact CE1-CB 4.36Å; F517-F521 HydrophobicContact CE1-CG 4.48Å; F517-F521 HydrophobicContact CZ-CB 4.34Å; F517-F521 HydrophobicContact CZ-CG 4.38Å; F517-F521 WeakPolarHBondContact O-CB 3.36Å; F517-F521 PolarHBondContact O-N 3.07Å; F517-L568 HydrophobicContact CE2-CD2 4.37Å; F517-L568 HydrophobicContact CZ-CD2 3.93Å; F517-A571 HydrophobicContact CD2-CB 3.61Å; F517-A571 HydrophobicContact CE2-CB 3.74Å; F517-A571 HydrophobicContact CG-CB 4.39Å; F517-L572 HydrophobicContact CD2-CD2 4.32Å; F517-L572 HydrophobicContact CE2-CD2 4.05Å; F517-L572 HydrophobicContact CE2-CG 4.23Å; F517-L575 HydrophobicContact CB-CD1 4.24Å; F517-L575 HydrophobicContact CD2-CD1 4.23Å
518	F	92.4	Very high	89.9	Confident	51 Å²	51	26.3 Å²	26.3	22%	0.224	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-43.5	-177.1	-84.6	-58.7	0	0	0	112.8	C480 L514 A515 A522	C480-F518 HydrophobicContact CB-CD1 4.31Å; L514-F518 HydrophobicContact CD1-CD2 3.98Å; L514-F518 HydrophobicContact CD1-CE2 3.58Å; L514-F518 HydrophobicContact CD1-CZ 4.35Å; L514-F518 HydrophobicContact CD2-CE2 4.24Å; L514-F518 HydrophobicContact CG-CD2 3.92Å; L514-F518 HydrophobicContact CG-CE2 3.73Å; L514-F518 VanDerWaalsContact O-CD2 3.27Å; L514-F518 WeakPolarHBondContact O-CD2 3.46Å; L514-F518 PolarHBondContact O-N 3.32Å; A515-F518 PolarHBondContact O-N 2.79Å; F518-A522 WeakPolarHBondContact O-CB 3.29Å; F518-A522 PolarHBondContact O-N 2.75Å
519	T	89.3	Confident	90.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-46.6	-178.6	-168	0	0	0	0	112.1	Y484 A515 G516 F517 S523 L588	Y484-T519 HydrophobicContact CD2-CG2 4.39Å; Y484-T519 WeakPolarHBondContact CE1-OG1 3.39Å; Y484-T519 HydrophobicContact CE2-CG2 3.99Å; A515-T519 PolarHBondContact O-N 3.28Å; G516-T519 WeakPolarHBondContact O-CG2 3.29Å; F517-T519 PolarHBondContact O-N 3Å; T519-S523 WeakPolarHBondContact O-CB 3.42Å; T519-S523 PolarHBondContact O-N 2.97Å; T519-S523 PolarHBondContact O-OG 2.68Å; T519-L588 HydrophobicContact CG2-CD2 3.67Å
520	V	89.8	Confident	89.9	Confident	6 Å²	6	23 Å²	23	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-46.5	178.1	175.3	0	0	0	0	111.7	G516 A522 S523 E524 A571 Y581 P589	G516-V520 WeakPolarHBondContact O-CG2 3.14Å; G516-V520 PolarHBondContact O-N 2.68Å; V520-A522 VanDerWaalsContact C-N 3.27Å; V520-A522 PolarHBondContact O-N 3.03Å; V520-S523 PolarHBondContact O-N 3.38Å; V520-S523 PolarHBondContact O-OG 3.46Å; V520-E524 HydrophobicContact CG1-CG 4.18Å; V520-E524 WeakPolarHBondContact O-CB 3.31Å; V520-E524 VanDerWaalsContact O-CG 3.29Å; V520-E524 WeakPolarHBondContact O-CG 3.18Å; V520-E524 PolarHBondContact O-N 2.77Å; V520-E524 VanDerWaalsContact O-N 3.09Å; V520-A571 HydrophobicContact CB-CB 4.29Å; V520-A571 HydrophobicContact CG1-CB 4.16Å; V520-Y581 HydrophobicContact CG2-CE1 3.8Å; V520-P589 HydrophobicContact CG2-CG 4.05Å
521	F	93.8	Very high	89.8	Confident	10 Å²	10	18 Å²	18	4%	0.044	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-43.8	179.4	169.6	-106.7	0	0	0	111.2	F476 F517 L525 W564 C567 L568 A571	F476-F521 AromaticContact CE1-CE1 3.93Å; F476-F521 HydrophobicContact CE1-CE1 3.93Å; F476-F521 HydrophobicContact CE1-CZ 4.22Å; F517-F521 HydrophobicContact CE1-CB 4.36Å; F517-F521 HydrophobicContact CE1-CG 4.48Å; F517-F521 HydrophobicContact CZ-CB 4.34Å; F517-F521 HydrophobicContact CZ-CG 4.38Å; F517-F521 WeakPolarHBondContact O-CB 3.36Å; F517-F521 PolarHBondContact O-N 3.07Å; F521-L525 HydrophobicContact CE1-CD2 4.1Å; F521-L525 HydrophobicContact CE2-CD2 4.17Å; F521-L525 HydrophobicContact CZ-CD2 3.63Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 3.17Å; F521-W564 HydrophobicContact CE2-CE3 4.27Å; F521-W564 HydrophobicContact CE2-CZ3 4.46Å; F521-W564 AromaticContact CZ-CE3 3.99Å; F521-W564 HydrophobicContact CZ-CE3 3.99Å; F521-W564 HydrophobicContact CZ-CH2 4.18Å; F521-W564 AromaticContact CZ-CZ3 3.78Å; F521-W564 HydrophobicContact CZ-CZ3 3.78Å; F521-C567 HydrophobicContact CD2-CB 4.12Å; F521-C567 HydrophobicContact CE2-CB 4.33Å; F521-L568 HydrophobicContact CD2-CD2 3.81Å; F521-L568 HydrophobicContact CD2-CG 4.18Å; F521-L568 HydrophobicContact CE2-CD2 3.67Å; F521-L568 HydrophobicContact CE2-CG 3.85Å; F521-L568 HydrophobicContact CZ-CD2 4.46Å; F521-A571 HydrophobicContact CB-CB 3.71Å
522	A	91.9	Very high	89.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-76.5	-37.5	-176.7	0	0	0	0	0	113.1	A477 C480 M481 F518 V520 S526	A477-A522 WeakPolarHBondContact O-CB 3.45Å; C480-A522 HydrophobicContact CB-CB 3.65Å; M481-A522 HydrophobicContact CB-CB 4.49Å; M481-A522 HydrophobicContact CG-CB 3.67Å; M481-A522 HydrophobicContact SD-CB 3.64Å; F518-A522 WeakPolarHBondContact O-CB 3.29Å; F518-A522 PolarHBondContact O-N 2.75Å; V520-A522 VanDerWaalsContact C-N 3.27Å; V520-A522 PolarHBondContact O-N 3.03Å; A522-S526 WeakPolarHBondContact O-CB 3.48Å; A522-S526 PolarHBondContact O-N 3.18Å
523	S	86.6	Confident	89.4	Confident	16 Å²	16	16.8 Å²	16.8	11%	0.112	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-51.5	175.3	71	0	0	0	0	111.2	T519 V520 L525 S526 V527 Y685	T519-S523 WeakPolarHBondContact O-CB 3.42Å; T519-S523 PolarHBondContact O-N 2.97Å; T519-S523 PolarHBondContact O-OG 2.68Å; V520-S523 PolarHBondContact O-N 3.38Å; V520-S523 PolarHBondContact O-OG 3.46Å; S523-L525 PolarHBondContact O-N 2.88Å; S523-S526 PolarHBondContact O-N 3.22Å; S523-V527 WeakPolarHBondContact O-CG2 3.41Å; S523-V527 PolarHBondContact O-N 2.96Å; S523-Y685 WeakPolarHBondContact CB-OH 3.49Å; S523-Y685 PolarHBondContact OG-OH 2.88Å
524	E	89.2	Confident	88.8	Confident	16 Å²	16	16.1 Å²	16.1	8%	0.075	8%	0.08	C	C	.	.	H	α-helix	trans	-65.7	-39.8	-178.1	-61.9	-56.2	110.5	0	0	111.1	V520 Y528 C567 L570 N608	V520-E524 HydrophobicContact CG1-CG 4.18Å; V520-E524 WeakPolarHBondContact O-CB 3.31Å; V520-E524 VanDerWaalsContact O-CG 3.29Å; V520-E524 WeakPolarHBondContact O-CG 3.18Å; V520-E524 PolarHBondContact O-N 2.77Å; V520-E524 VanDerWaalsContact O-N 3.09Å; E524-Y528 WeakPolarHBondContact O-CB 3.18Å; E524-Y528 PolarHBondContact O-N 3.39Å; E524-C567 VanDerWaalsContact C-SG 3.54Å; E524-C567 HydrophobicContact CB-CB 4.22Å; E524-L570 HydrophobicContact CG-CD1 4.13Å; E524-N608 PolarHBondContact OE1-ND2 3.22Å; E524-N608 PolarHBondContact OE2-ND2 3.02Å
525	L	91.8	Very high	88.5	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.8	-34.9	176.6	-177.2	61.5	0	0	0	112.1	F476 A477 F521 S523 T529 M560 W564 C567	F476-L525 HydrophobicContact CD1-CD2 4.25Å; A477-L525 HydrophobicContact CB-CB 4.15Å; A477-L525 HydrophobicContact CB-CD2 4.12Å; A477-L525 HydrophobicContact CB-CG 4.03Å; F521-L525 HydrophobicContact CE1-CD2 4.1Å; F521-L525 HydrophobicContact CE2-CD2 4.17Å; F521-L525 HydrophobicContact CZ-CD2 3.63Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 3.17Å; S523-L525 PolarHBondContact O-N 2.88Å; L525-T529 VanDerWaalsContact O-CB 3.23Å; L525-T529 WeakPolarHBondContact O-CB 3.31Å; L525-T529 PolarHBondContact O-N 3.15Å; L525-T529 PolarHBondContact O-OG1 2.91Å; L525-M560 HydrophobicContact CD1-CE 4.21Å; L525-W564 HydrophobicContact CD1-CG 4.31Å; L525-W564 HydrophobicContact CD2-CD2 4.39Å; L525-W564 HydrophobicContact CD2-CZ2 3.95Å; L525-C567 HydrophobicContact CB-CB 4.25Å; L525-C567 PolarHBondContact N-SG 2.04Å
526	S	88.3	Confident	88.1	Confident	5 Å²	5	16.3 Å²	16.3	4%	0.035	8%	0.081	C	C	.	.	H	α-helix	trans	-66.8	-50.8	177.1	-165.6	0	0	0	0	110.5	L474 D478 A522 S523 Y528 T529 L530	L474-S526 VanDerWaalsContact CD1-O 3.24Å; L474-S526 WeakPolarHBondContact CD1-O 3.38Å; L474-S526 WeakPolarHBondContact CD1-OG 3.32Å; D478-S526 PolarHBondContact OD1-OG 3.02Å; A522-S526 WeakPolarHBondContact O-CB 3.48Å; A522-S526 PolarHBondContact O-N 3.18Å; S523-S526 PolarHBondContact O-N 3.22Å; S526-Y528 PolarHBondContact O-N 3.46Å; S526-T529 PolarHBondContact O-N 2.87Å; S526-L530 WeakPolarHBondContact O-CB 3.27Å; S526-L530 PolarHBondContact O-N 3.02Å
527	V	85.1	Confident	87.5	Confident	14 Å²	14	19.2 Å²	19.2	9%	0.085	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-46.7	175.5	174.3	0	0	0	0	111.5	S523 T529 L530 T531 A611 M655	S523-V527 WeakPolarHBondContact O-CG2 3.41Å; S523-V527 PolarHBondContact O-N 2.96Å; V527-T529 PolarHBondContact O-N 3.02Å; V527-L530 WeakPolarHBondContact O-CB 3.4Å; V527-L530 PolarHBondContact O-N 3.22Å; V527-T531 WeakPolarHBondContact O-CG2 3.47Å; V527-T531 PolarHBondContact O-N 2.81Å; V527-A611 HydrophobicContact CG1-CB 3.68Å; V527-M655 HydrophobicContact CG2-CE 3.64Å; V527-M655 HydrophobicContact CG2-SD 4.35Å
528	Y	89.6	Confident	86.8	Confident	56 Å²	56	21.2 Å²	21.2	22%	0.22	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-50.3	177	-174.7	-87.1	0	0	0	111.5	E524 S526 L530 T531 V532 V559 M560 G563	E524-Y528 WeakPolarHBondContact O-CB 3.18Å; E524-Y528 PolarHBondContact O-N 3.39Å; S526-Y528 PolarHBondContact O-N 3.46Å; Y528-L530 VanDerWaalsContact C-N 3.26Å; Y528-L530 PolarHBondContact O-N 3.05Å; Y528-T531 PolarHBondContact O-N 3.09Å; Y528-T531 VanDerWaalsContact O-N 3.13Å; Y528-T531 PolarHBondContact O-OG1 3.5Å; Y528-V532 HydrophobicContact CD1-CG2 4.02Å; Y528-V532 HydrophobicContact CE1-CG2 3.56Å; Y528-V532 WeakPolarHBondContact O-CG2 3.47Å; Y528-V532 PolarHBondContact O-N 2.79Å; Y528-V532 VanDerWaalsContact O-N 3.13Å; Y528-V559 HydrophobicContact CE1-CG1 4.4Å; Y528-V559 WeakPolarHBondContact OH-CG1 3.27Å; Y528-V559 PolarHBondContact OH-O 2.98Å; Y528-V559 VanDerWaalsContact OH-O 3.13Å; Y528-M560 HydrophobicContact CD1-CE 4.41Å; Y528-M560 HydrophobicContact CD1-SD 4.49Å; Y528-M560 HydrophobicContact CE1-SD 4.3Å; Y528-G563 VanDerWaalsContact CE1-CA 3.43Å; Y528-G563 VanDerWaalsContact CZ-CA 3.48Å
529	T	89.3	Confident	86.3	Confident	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-38.2	179.8	-54.5	0	0	0	0	111.2	L470 H473 L474 L525 S526 V527 V532 I533 M560	L470-T529 WeakPolarHBondContact O-CG2 3.09Å; H473-T529 HydrophobicContact CB-CG2 3.97Å; L474-T529 HydrophobicContact CB-CG2 4.01Å; L474-T529 HydrophobicContact CD1-CG2 4.17Å; L525-T529 VanDerWaalsContact O-CB 3.23Å; L525-T529 WeakPolarHBondContact O-CB 3.31Å; L525-T529 PolarHBondContact O-N 3.15Å; L525-T529 PolarHBondContact O-OG1 2.91Å; S526-T529 PolarHBondContact O-N 2.87Å; V527-T529 PolarHBondContact O-N 3.02Å; T529-V532 PolarHBondContact O-N 3.47Å; T529-I533 HydrophobicContact CG2-CD1 4.14Å; T529-I533 WeakPolarHBondContact O-CG1 2.89Å; T529-I533 PolarHBondContact O-N 3.36Å; T529-M560 HydrophobicContact CG2-CE 4.19Å; T529-M560 HydrophobicContact CG2-SD 4.49Å; T529-M560 WeakPolarHBondContact OG1-CE 3.47Å
530	L	82.6	Confident	85.7	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-50	173.8	-164.4	81	0	0	0	111.3	S526 V527 Y528 V532 I533 T534 I615 L647 D651	S526-L530 WeakPolarHBondContact O-CB 3.27Å; S526-L530 PolarHBondContact O-N 3.02Å; V527-L530 WeakPolarHBondContact O-CB 3.4Å; V527-L530 PolarHBondContact O-N 3.22Å; Y528-L530 VanDerWaalsContact C-N 3.26Å; Y528-L530 PolarHBondContact O-N 3.05Å; L530-V532 VanDerWaalsContact C-N 3.26Å; L530-V532 PolarHBondContact O-N 2.88Å; L530-I533 WeakPolarHBondContact O-CA 3.02Å; L530-I533 WeakPolarHBondContact O-CB 3.25Å; L530-I533 PolarHBondContact O-N 2.77Å; L530-T534 WeakPolarHBondContact O-CG2 3.14Å; L530-T534 PolarHBondContact O-N 3.17Å; L530-I615 HydrophobicContact CD2-CD1 4.05Å; L530-L647 HydrophobicContact CD1-CD2 3.81Å; L530-D651 HydrophobicContact CD2-CB 3.98Å; L530-D651 WeakPolarHBondContact CD2-OD1 3.29Å; L530-D651 VanDerWaalsContact CD2-OD2 3.31Å; L530-D651 WeakPolarHBondContact CD2-OD2 3.5Å
531	T	85.9	Confident	84.9	Confident	16 Å²	16	25.7 Å²	25.7	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-54.7	-43	177.4	67.7	0	0	0	0	111.8	V527 Y528 I533 T534 L535 A611 I615	V527-T531 WeakPolarHBondContact O-CG2 3.47Å; V527-T531 PolarHBondContact O-N 2.81Å; Y528-T531 PolarHBondContact O-N 3.09Å; Y528-T531 VanDerWaalsContact O-N 3.13Å; Y528-T531 PolarHBondContact O-OG1 3.5Å; T531-I533 PolarHBondContact O-N 3.44Å; T531-T534 PolarHBondContact O-N 2.99Å; T531-T534 PolarHBondContact O-OG1 3Å; T531-L535 WeakPolarHBondContact O-CB 3.16Å; T531-L535 WeakPolarHBondContact O-CG 3.05Å; T531-L535 PolarHBondContact O-N 3.29Å; T531-A611 HydrophobicContact CG2-CB 3.6Å; T531-I615 HydrophobicContact CG2-CD1 3.78Å; T531-I615 HydrophobicContact CG2-CG1 3.97Å
532	V	88.5	Confident	84	Confident	15 Å²	15	27.5 Å²	27.5	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-36.2	178.1	-179.1	0	0	0	0	111.9	L470 Y528 T529 L530 E536 V559 M560	L470-V532 HydrophobicContact CD1-CG1 3.98Å; L470-V532 HydrophobicContact CD2-CB 4.42Å; L470-V532 HydrophobicContact CD2-CG1 3.67Å; Y528-V532 HydrophobicContact CD1-CG2 4.02Å; Y528-V532 HydrophobicContact CE1-CG2 3.56Å; Y528-V532 WeakPolarHBondContact O-CG2 3.47Å; Y528-V532 PolarHBondContact O-N 2.79Å; Y528-V532 VanDerWaalsContact O-N 3.13Å; T529-V532 PolarHBondContact O-N 3.47Å; L530-V532 VanDerWaalsContact C-N 3.26Å; L530-V532 PolarHBondContact O-N 2.88Å; V532-E536 WeakPolarHBondContact O-CB 3.31Å; V532-E536 PolarHBondContact O-N 2.89Å; V532-V559 HydrophobicContact CG1-CG1 4.07Å; V532-V559 HydrophobicContact CG2-CG1 3.74Å; V532-M560 HydrophobicContact CB-SD 4.39Å; V532-M560 HydrophobicContact CG1-SD 4.28Å; V532-M560 HydrophobicContact CG2-SD 4.38Å
533	I	83.4	Confident	83	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-45.9	171.3	-69.5	165.9	0	0	0	110.7	L470 L474 T529 L530 T531 L535 E536 R537	L470-I533 HydrophobicContact CB-CD1 4.14Å; L470-I533 HydrophobicContact CB-CG1 3.59Å; L470-I533 HydrophobicContact CD1-CG1 3.95Å; L470-I533 HydrophobicContact CG-CG1 4.36Å; L474-I533 HydrophobicContact CD2-CD1 4.47Å; T529-I533 HydrophobicContact CG2-CD1 4.14Å; T529-I533 WeakPolarHBondContact O-CG1 2.89Å; T529-I533 PolarHBondContact O-N 3.36Å; L530-I533 WeakPolarHBondContact O-CA 3.02Å; L530-I533 WeakPolarHBondContact O-CB 3.25Å; L530-I533 PolarHBondContact O-N 2.77Å; T531-I533 PolarHBondContact O-N 3.44Å; I533-L535 VanDerWaalsContact C-N 3.33Å; I533-L535 PolarHBondContact O-N 3.49Å; I533-E536 PolarHBondContact O-N 2.83Å; I533-R537 HydrophobicContact CG2-CG 4.41Å; I533-R537 WeakPolarHBondContact O-CB 3.14Å; I533-R537 WeakPolarHBondContact O-CG 3.19Å; I533-R537 PolarHBondContact O-N 3.22Å
534	T	79.4	Confident	81.9	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-36.3	-178.6	69.4	0	0	0	0	112.2	L530 T531 R537 W538 I615 Y619 I648	L530-T534 WeakPolarHBondContact O-CG2 3.14Å; L530-T534 PolarHBondContact O-N 3.17Å; T531-T534 PolarHBondContact O-N 2.99Å; T531-T534 PolarHBondContact O-OG1 3Å; T534-R537 PolarHBondContact O-N 3.36Å; T534-W538 WeakPolarHBondContact O-CB 3.33Å; T534-W538 PolarHBondContact O-N 3.29Å; T534-I615 HydrophobicContact CG2-CG1 4.19Å; T534-I615 HydrophobicContact CG2-CG2 4.3Å; T534-Y619 HydrophobicContact CG2-CE2 3.49Å; T534-Y619 VanDerWaalsContact CG2-CE2 3.49Å; T534-I648 HydrophobicContact CG2-CG1 4.48Å
535	L	85.1	Confident	80.1	Confident	67 Å²	67	39.3 Å²	39.3	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-67.6	-44.2	172.5	-74.6	164.3	0	0	0	112.3	T531 I533 R537 W538 Y539 V614 C618	T531-L535 WeakPolarHBondContact O-CB 3.16Å; T531-L535 WeakPolarHBondContact O-CG 3.05Å; T531-L535 PolarHBondContact O-N 3.29Å; I533-L535 VanDerWaalsContact C-N 3.33Å; I533-L535 PolarHBondContact O-N 3.49Å; L535-R537 PolarHBondContact O-N 3.25Å; L535-W538 HydrophobicContact CD2-CE3 4.19Å; L535-W538 HydrophobicContact CD2-CZ3 4.49Å; L535-W538 PolarHBondContact O-N 3.19Å; L535-Y539 VanDerWaalsContact O-CB 3.24Å; L535-Y539 WeakPolarHBondContact O-CB 3.37Å; L535-Y539 PolarHBondContact O-N 2.91Å; L535-V614 HydrophobicContact CD1-CG1 4.49Å; L535-C618 VanDerWaalsContact CD2-SG 3.54Å
536	E	84.4	Confident	78.4	Confident	23 Å²	23	46.2 Å²	46.2	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-41.9	174	-174.2	-107.8	-149.1	0	0	110.9	V466 S467 L470 V532 I533 A540 L551	V466-E536 HydrophobicContact CB-CG 4.45Å; V466-E536 HydrophobicContact CG1-CG 3.9Å; S467-E536 WeakPolarHBondContact CB-OE1 3.24Å; S467-E536 PolarHBondContact N-OE1 3.41Å; S467-E536 VanDerWaalsContact N-OE1 3.11Å; L470-E536 HydrophobicContact CD1-CB 4.05Å; L470-E536 HydrophobicContact CD1-CG 4.39Å; V532-E536 WeakPolarHBondContact O-CB 3.31Å; V532-E536 PolarHBondContact O-N 2.89Å; I533-E536 PolarHBondContact O-N 2.83Å; E536-A540 WeakPolarHBondContact O-CB 3.31Å; E536-A540 PolarHBondContact O-N 2.54Å; E536-L551 HydrophobicContact CG-CD2 4.49Å
537	R	78.6	Confident	76.7	Confident	61 Å²	61	51.8 Å²	51.8	23%	0.23	26%	0.256	C	S	.	.	H	α-helix	trans	-72.3	-43.8	-178.1	-71.4	-66.7	-161.8	-115.8	0.7	113.2	S467 I533 T534 L535 Y539 A540 I541 M644	S467-R537 PolarHBondContact OG-NH1 2.89Å; S467-R537 PolarHBondContact OG-NH2 2.68Å; I533-R537 HydrophobicContact CG2-CG 4.41Å; I533-R537 WeakPolarHBondContact O-CB 3.14Å; I533-R537 WeakPolarHBondContact O-CG 3.19Å; I533-R537 PolarHBondContact O-N 3.22Å; T534-R537 PolarHBondContact O-N 3.36Å; L535-R537 PolarHBondContact O-N 3.25Å; R537-Y539 VanDerWaalsContact C-N 3.34Å; R537-A540 PolarHBondContact O-N 3.13Å; R537-I541 WeakPolarHBondContact O-CB 3.4Å; R537-I541 WeakPolarHBondContact O-CD1 3.24Å; R537-I541 VanDerWaalsContact O-CG1 3.24Å; R537-I541 WeakPolarHBondContact O-CG1 3.49Å; R537-I541 PolarHBondContact O-N 3.41Å; R537-M644 HydrophobicContact CB-SD 4.05Å; R537-M644 WeakPolarHBondContact CD-SD 3.07Å; R537-M644 HydrophobicContact CG-CE 4.14Å; R537-M644 HydrophobicContact CG-SD 3.45Å; R537-M644 WeakPolarHBondContact CG-SD 3.39Å; R537-M644 PolarHBondContact NE-SD 3.01Å
538	W	79	Confident	75.2	Confident	78 Å²	78	58.3 Å²	58.3	30%	0.295	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-49.4	171.7	169.6	49.3	0	0	0	110.8	T534 L535 A540 I541 T542 C618 I622	T534-W538 WeakPolarHBondContact O-CB 3.33Å; T534-W538 PolarHBondContact O-N 3.29Å; L535-W538 HydrophobicContact CD2-CE3 4.19Å; L535-W538 HydrophobicContact CD2-CZ3 4.49Å; L535-W538 PolarHBondContact O-N 3.19Å; W538-A540 PolarHBondContact O-N 3.27Å; W538-I541 PolarHBondContact O-N 3.05Å; W538-T542 PolarHBondContact NE1-OG1 3.37Å; W538-T542 WeakPolarHBondContact O-CB 3.44Å; W538-T542 PolarHBondContact O-N 3.43Å; W538-T542 PolarHBondContact O-OG1 3.4Å; W538-C618 HydrophobicContact CB-CB 4.3Å; W538-I622 HydrophobicContact CB-CD1 3.89Å; W538-I622 HydrophobicContact CB-CG1 3.85Å; W538-I622 HydrophobicContact CG-CG1 4.28Å
539	Y	81.1	Confident	73.8	Confident	68 Å²	68	63 Å²	63	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-46.7	179.6	-169.2	-92.7	0	0	0	112.3	L535 R537 I541 F543 R549 L551	L535-Y539 VanDerWaalsContact O-CB 3.24Å; L535-Y539 WeakPolarHBondContact O-CB 3.37Å; L535-Y539 PolarHBondContact O-N 2.91Å; R537-Y539 VanDerWaalsContact C-N 3.34Å; Y539-I541 VanDerWaalsContact C-N 3.35Å; Y539-I541 PolarHBondContact O-N 2.83Å; Y539-F543 HydrophobicContact CD1-CD2 4.4Å; Y539-F543 AromaticContact CD2-CD2 3.53Å; Y539-F543 HydrophobicContact CD2-CD2 3.53Å; Y539-F543 AromaticContact CD2-CE2 3.74Å; Y539-F543 HydrophobicContact CD2-CE2 3.74Å; Y539-F543 AromaticContact CE2-CD2 3.69Å; Y539-F543 HydrophobicContact CE2-CD2 3.69Å; Y539-F543 AromaticContact CE2-CE2 3.91Å; Y539-F543 HydrophobicContact CE2-CE2 3.91Å; Y539-F543 AromaticContact CG-CD2 3.92Å; Y539-F543 HydrophobicContact CG-CD2 3.92Å; Y539-F543 WeakPolarHBondContact O-CB 3.39Å; Y539-F543 WeakPolarHBondContact O-CD2 3.31Å; Y539-F543 PolarHBondContact O-N 2.86Å; Y539-R549 VanDerWaalsContact CE1-O 3.24Å; Y539-R549 WeakPolarHBondContact CE1-O 3.36Å; Y539-R549 PolarHBondContact OH-O 2.85Å; Y539-L551 HydrophobicContact CD1-CB 4.27Å; Y539-L551 HydrophobicContact CD1-CD1 4.49Å; Y539-L551 HydrophobicContact CE1-CB 4.18Å; Y539-L551 HydrophobicContact CE1-CD1 4.34Å
540	A	76.7	Confident	72.8	Confident	49 Å²	49	69.1 Å²	69.1	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-35.6	-179.8	0	0	0	0	0	113.1	E536 R537 W538 A544	E536-A540 WeakPolarHBondContact O-CB 3.31Å; E536-A540 PolarHBondContact O-N 2.54Å; R537-A540 PolarHBondContact O-N 3.13Å; W538-A540 PolarHBondContact O-N 3.27Å; A540-A544 WeakPolarHBondContact O-CA 3.36Å; A540-A544 WeakPolarHBondContact O-CB 3.46Å; A540-A544 PolarHBondContact O-N 3.25Å
541	I	73	Confident	72.2	Confident	33 Å²	33	72.4 Å²	72.4	17%	0.169	35%	0.352	C	S	.	.	H	α-helix	trans	-74.7	-54.4	177.1	-67.1	167.1	0	0	0	110.3	R537 W538 Y539 F543 A544 I622 T625 V626	R537-I541 WeakPolarHBondContact O-CB 3.4Å; R537-I541 WeakPolarHBondContact O-CD1 3.24Å; R537-I541 VanDerWaalsContact O-CG1 3.24Å; R537-I541 WeakPolarHBondContact O-CG1 3.49Å; R537-I541 PolarHBondContact O-N 3.41Å; W538-I541 PolarHBondContact O-N 3.05Å; Y539-I541 VanDerWaalsContact C-N 3.35Å; Y539-I541 PolarHBondContact O-N 2.83Å; I541-F543 VanDerWaalsContact C-N 3.32Å; I541-F543 PolarHBondContact O-N 2.78Å; I541-A544 PolarHBondContact O-N 3.09Å; I541-I622 HydrophobicContact CD1-CG2 4.05Å; I541-T625 HydrophobicContact CG2-CG2 4.32Å; I541-V626 HydrophobicContact CG2-CG2 4.36Å
542	T	73.8	Confident	72.1	Confident	49 Å²	49	80.2 Å²	80.2	30%	0.301	38%	0.379	S	S	.	.	H	α-helix	trans	-69	-25.7	-175	-62.5	0	0	0	0	113.3	W538 T625	W538-T542 PolarHBondContact NE1-OG1 3.37Å; W538-T542 WeakPolarHBondContact O-CB 3.44Å; W538-T542 PolarHBondContact O-N 3.43Å; W538-T542 PolarHBondContact O-OG1 3.4Å; T542-T625 PolarHBondContact OG1-OG1 2.98Å
543	F	70.8	Confident	71.9	Confident	60 Å²	60	82.6 Å²	82.6	26%	0.263	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	14	179.6	-59.4	-70.1	0	0	0	115.1	Y539 I541 M545 R546	Y539-F543 HydrophobicContact CD1-CD2 4.4Å; Y539-F543 AromaticContact CD2-CD2 3.53Å; Y539-F543 HydrophobicContact CD2-CD2 3.53Å; Y539-F543 AromaticContact CD2-CE2 3.74Å; Y539-F543 HydrophobicContact CD2-CE2 3.74Å; Y539-F543 AromaticContact CE2-CD2 3.69Å; Y539-F543 HydrophobicContact CE2-CD2 3.69Å; Y539-F543 AromaticContact CE2-CE2 3.91Å; Y539-F543 HydrophobicContact CE2-CE2 3.91Å; Y539-F543 AromaticContact CG-CD2 3.92Å; Y539-F543 HydrophobicContact CG-CD2 3.92Å; Y539-F543 WeakPolarHBondContact O-CB 3.39Å; Y539-F543 WeakPolarHBondContact O-CD2 3.31Å; Y539-F543 PolarHBondContact O-N 2.86Å; I541-F543 VanDerWaalsContact C-N 3.32Å; I541-F543 PolarHBondContact O-N 2.78Å; F543-M545 PolarHBondContact O-N 3.39Å; F543-R546 PolarHBondContact O-N 3.48Å
544	A	63.4	Low	72.1	Confident	51 Å²	51	89.8 Å²	89.8	42%	0.421	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-34	-178.8	0	0	0	0	0	114.7	A540 I541	A540-A544 WeakPolarHBondContact O-CA 3.36Å; A540-A544 WeakPolarHBondContact O-CB 3.46Å; A540-A544 PolarHBondContact O-N 3.25Å; I541-A544 PolarHBondContact O-N 3.09Å
545	M	52.3	Low	72.5	Confident	168 Å²	168	95.1 Å²	95.1	83%	0.828	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.4	-175.7	-65.5	-65.3	-75	0	0	115.7	F543	F543-M545 PolarHBondContact O-N 3.39Å
546	R	55.7	Low	72.7	Confident	145 Å²	145	92 Å²	92	55%	0.547	43%	0.433	S	S	.	.			trans	-114	99.8	177.3	-82.3	-170.1	-89.2	-150.9	-6.2	111.6	F543 D548 R549	F543-R546 PolarHBondContact O-N 3.48Å; R546-D548 PolarHBondContact O-N 2.78Å; R546-R549 PolarHBondContact O-N 2.9Å
547	L	52.9	Low	73	Confident	122 Å²	122	92.4 Å²	92.4	64%	0.639	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-58	-34.5	-177	-92.6	68.3	0	0	0	113.3	R549 K550	L547-R549 VanDerWaalsContact C-N 3.3Å; L547-R549 PolarHBondContact O-N 2.83Å; L547-K550 WeakPolarHBondContact O-CG 3.47Å
548	D	54.4	Low	73.7	Confident	151 Å²	151	92.6 Å²	92.6	81%	0.807	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-75.7	-17.4	-172.3	-40.1	-70.4	0	0	0	113.4	R546	R546-D548 PolarHBondContact O-N 2.78Å
549	R	59.8	Low	74.4	Confident	154 Å²	154	91.8 Å²	91.8	58%	0.581	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-110.6	41.2	-179.4	-70.8	-169.4	173.2	-165	-2.2	112.5	Y539 R546 L547	Y539-R549 VanDerWaalsContact CE1-O 3.24Å; Y539-R549 WeakPolarHBondContact CE1-O 3.36Å; Y539-R549 PolarHBondContact OH-O 2.85Å; R546-R549 PolarHBondContact O-N 2.9Å; L547-R549 VanDerWaalsContact C-N 3.3Å; L547-R549 PolarHBondContact O-N 2.83Å
550	K	67.6	Low	75	Confident	130 Å²	130	88.6 Å²	88.6	57%	0.565	45%	0.446	S	S	*	.			trans	-82.8	127.9	172.6	-73.7	176.9	176.5	175.1	0	111.3	L547 R552	L547-K550 WeakPolarHBondContact O-CG 3.47Å; K550-R552 PolarHBondContact O-N 3.17Å; K550-R552 VanDerWaalsContact O-N 3.16Å
551	L	71.1	Confident	75.9	Confident	71 Å²	71	90.9 Å²	90.9	37%	0.372	45%	0.454	S	S	.	.			trans	-61.1	115.2	177.7	-157.8	91.1	0	0	0	109.8	V466 E536 Y539 A556	V466-L551 HydrophobicContact CG1-CD2 4.2Å; E536-L551 HydrophobicContact CG-CD2 4.49Å; Y539-L551 HydrophobicContact CD1-CB 4.27Å; Y539-L551 HydrophobicContact CD1-CD1 4.49Å; Y539-L551 HydrophobicContact CE1-CB 4.18Å; Y539-L551 HydrophobicContact CE1-CD1 4.34Å; L551-A556 HydrophobicContact CD2-CB 4.39Å
552	R	82.9	Confident	76.9	Confident	180 Å²	180	92 Å²	92	68%	0.679	47%	0.469	S	S	*	.			trans	-87.5	148.8	-178.5	-52.5	-176.2	-175.7	-178.2	0.9	110.8	K550 H554 H555 A556	K550-R552 PolarHBondContact O-N 3.17Å; K550-R552 VanDerWaalsContact O-N 3.16Å; R552-H554 PolarHBondContact O-N 3.05Å; R552-H554 VanDerWaalsContact O-N 3.1Å; R552-H555 WeakPolarHBondContact O-CB 3.43Å; R552-H555 PolarHBondContact O-N 3.39Å; R552-A556 PolarHBondContact O-N 2.82Å
553	L	84.6	Confident	77.9	Confident	65 Å²	65	89.7 Å²	89.7	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-50.9	-38.9	-177	-172.8	63.6	0	0	0	113.8	V466 F469 H555 A556 A557	V466-L553 HydrophobicContact CG2-CD1 4.46Å; F469-L553 HydrophobicContact CB-CD1 3.82Å; F469-L553 HydrophobicContact CD1-CD1 3.98Å; F469-L553 HydrophobicContact CD2-CD1 4.39Å; F469-L553 HydrophobicContact CG-CD1 3.81Å; L553-H555 VanDerWaalsContact C-N 3.3Å; L553-H555 PolarHBondContact O-N 2.72Å; L553-A556 PolarHBondContact O-N 3.31Å; L553-A557 WeakPolarHBondContact O-CB 3.49Å; L553-A557 PolarHBondContact O-N 2.86Å
554	H	87.3	Confident	79.1	Confident	160 Å²	160	90 Å²	90	74%	0.741	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-34.1	176.5	-63.7	-76.3	0	0	0	114.2	R552 A558	R552-H554 PolarHBondContact O-N 3.05Å; R552-H554 VanDerWaalsContact O-N 3.1Å; H554-A558 WeakPolarHBondContact O-CB 3.32Å; H554-A558 PolarHBondContact O-N 2.93Å
555	H	88.9	Confident	80.7	Confident	112 Å²	112	92 Å²	92	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-71.2	-42.9	176.9	-60.5	87.7	0	0	0	110.7	R552 L553 A557 A558 V559	R552-H555 WeakPolarHBondContact O-CB 3.43Å; R552-H555 PolarHBondContact O-N 3.39Å; L553-H555 VanDerWaalsContact C-N 3.3Å; L553-H555 PolarHBondContact O-N 2.72Å; H555-A557 VanDerWaalsContact C-N 3.34Å; H555-A558 PolarHBondContact O-N 3.16Å; H555-V559 WeakPolarHBondContact O-CG2 3.47Å; H555-V559 PolarHBondContact O-N 3.11Å
556	A	88.2	Confident	82.7	Confident	3 Å²	3	87.3 Å²	87.3	3%	0.025	44%	0.439	C	S	.	.	H	α-helix	trans	-64.5	-38.7	175.2	0	0	0	0	0	111.9	V466 L551 R552 L553 V559 M560	V466-A556 HydrophobicContact CG1-CB 3.5Å; V466-A556 HydrophobicContact CG2-CB 4.46Å; L551-A556 HydrophobicContact CD2-CB 4.39Å; R552-A556 PolarHBondContact O-N 2.82Å; L553-A556 PolarHBondContact O-N 3.31Å; A556-V559 PolarHBondContact O-N 2.95Å; A556-M560 WeakPolarHBondContact O-CB 3.35Å; A556-M560 WeakPolarHBondContact O-CG 3.41Å; A556-M560 PolarHBondContact O-N 3.48Å
557	A	91.3	Very high	84.5	Confident	31 Å²	31	80.5 Å²	80.5	26%	0.256	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-43.4	174.1	0	0	0	0	0	112	F469 L553 H555 M560 V561	F469-A557 HydrophobicContact CE1-CB 4.35Å; F469-A557 HydrophobicContact CZ-CB 4.05Å; L553-A557 WeakPolarHBondContact O-CB 3.49Å; L553-A557 PolarHBondContact O-N 2.86Å; H555-A557 VanDerWaalsContact C-N 3.34Å; A557-M560 PolarHBondContact O-N 3.34Å; A557-V561 WeakPolarHBondContact O-CG2 3.06Å; A557-V561 PolarHBondContact O-N 3.44Å
558	A	93	Very high	86.6	Confident	64 Å²	64	77.7 Å²	77.7	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-42.2	175.9	0	0	0	0	0	112.5	H554 H555 V561 A562	H554-A558 WeakPolarHBondContact O-CB 3.32Å; H554-A558 PolarHBondContact O-N 2.93Å; H555-A558 PolarHBondContact O-N 3.16Å; A558-V561 PolarHBondContact O-N 3.47Å; A558-A562 PolarHBondContact O-N 2.99Å; A558-A562 VanDerWaalsContact O-N 3.14Å
559	V	93.4	Very high	88.5	Confident	61 Å²	61	75.1 Å²	75.1	37%	0.37	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-47.3	173.3	171.1	0	0	0	0	110.9	Y528 V532 H555 A556 V561 A562 G563	Y528-V559 HydrophobicContact CE1-CG1 4.4Å; Y528-V559 WeakPolarHBondContact OH-CG1 3.27Å; Y528-V559 PolarHBondContact OH-O 2.98Å; Y528-V559 VanDerWaalsContact OH-O 3.13Å; V532-V559 HydrophobicContact CG1-CG1 4.07Å; V532-V559 HydrophobicContact CG2-CG1 3.74Å; H555-V559 WeakPolarHBondContact O-CG2 3.47Å; H555-V559 PolarHBondContact O-N 3.11Å; A556-V559 PolarHBondContact O-N 2.95Å; V559-V561 PolarHBondContact O-N 2.91Å; V559-A562 PolarHBondContact O-N 2.83Å; V559-G563 PolarHBondContact O-N 2.89Å
560	M	94.4	Very high	90	Very high	2 Å²	2	68 Å²	68	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-39.6	177.6	-72.5	-49.6	-54.5	0	0	112.7	F469 L470 H473 L525 Y528 T529 V532 A556 A557 A562 G563 W564	F469-M560 HydrophobicContact CE1-CB 4.21Å; F469-M560 HydrophobicContact CE1-CG 3.75Å; F469-M560 HydrophobicContact CZ-CB 4.36Å; F469-M560 HydrophobicContact CZ-CG 4.32Å; L470-M560 HydrophobicContact CD2-CG 3.68Å; L470-M560 HydrophobicContact CD2-SD 3.57Å; L470-M560 VanDerWaalsContact CD2-SD 3.57Å; H473-M560 HydrophobicContact CB-CE 3.92Å; L525-M560 HydrophobicContact CD1-CE 4.21Å; Y528-M560 HydrophobicContact CD1-CE 4.41Å; Y528-M560 HydrophobicContact CD1-SD 4.49Å; Y528-M560 HydrophobicContact CE1-SD 4.3Å; T529-M560 HydrophobicContact CG2-CE 4.19Å; T529-M560 HydrophobicContact CG2-SD 4.49Å; T529-M560 WeakPolarHBondContact OG1-CE 3.47Å; V532-M560 HydrophobicContact CB-SD 4.39Å; V532-M560 HydrophobicContact CG1-SD 4.28Å; V532-M560 HydrophobicContact CG2-SD 4.38Å; A556-M560 WeakPolarHBondContact O-CB 3.35Å; A556-M560 WeakPolarHBondContact O-CG 3.41Å; A556-M560 PolarHBondContact O-N 3.48Å; A557-M560 PolarHBondContact O-N 3.34Å; M560-A562 VanDerWaalsContact C-N 3.33Å; M560-A562 PolarHBondContact O-N 2.61Å; M560-G563 PolarHBondContact O-N 2.85Å; M560-W564 VanDerWaalsContact O-CD1 3.23Å; M560-W564 PolarHBondContact O-N 2.61Å
561	V	95.3	Very high	91.3	Very high	96 Å²	96	61.8 Å²	61.8	58%	0.582	33%	0.331	S	S	*	.	H	α-helix	trans	-61.4	-41.4	175.7	168.1	0	0	0	0	111.4	A557 A558 V559 W564 V565	A557-V561 WeakPolarHBondContact O-CG2 3.06Å; A557-V561 PolarHBondContact O-N 3.44Å; A558-V561 PolarHBondContact O-N 3.47Å; V559-V561 PolarHBondContact O-N 2.91Å; V561-W564 PolarHBondContact O-N 3.08Å; V561-V565 WeakPolarHBondContact O-CG2 3.49Å; V561-V565 PolarHBondContact O-N 3.1Å
562	A	94.6	Very high	92.4	Very high	58 Å²	58	62.3 Å²	62.3	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.6	0	0	0	0	0	112.2	A558 V559 M560 V565 L566	A558-A562 PolarHBondContact O-N 2.99Å; A558-A562 VanDerWaalsContact O-N 3.14Å; V559-A562 PolarHBondContact O-N 2.83Å; M560-A562 VanDerWaalsContact C-N 3.33Å; M560-A562 PolarHBondContact O-N 2.61Å; A562-V565 PolarHBondContact O-N 3.24Å; A562-L566 PolarHBondContact O-N 3.45Å; A562-L566 VanDerWaalsContact O-N 3.09Å
563	G	93.8	Very high	92.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-47.8	172.9	0	0	0	0	0	113.2	Y528 V559 M560 V565 L566 C567	Y528-G563 VanDerWaalsContact CE1-CA 3.43Å; Y528-G563 VanDerWaalsContact CZ-CA 3.48Å; V559-G563 PolarHBondContact O-N 2.89Å; M560-G563 PolarHBondContact O-N 2.85Å; G563-V565 VanDerWaalsContact C-N 3.34Å; G563-V565 PolarHBondContact O-N 3.06Å; G563-L566 WeakPolarHBondContact O-CB 3.41Å; G563-L566 PolarHBondContact O-N 3.16Å; G563-L566 VanDerWaalsContact O-N 3.12Å; G563-C567 PolarHBondContact O-N 3.17Å; G563-C567 PolarHBondContact O-SG 2.77Å
564	W	96.1	Very high	93	Very high	66 Å²	66	53 Å²	53	25%	0.25	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-43.5	177.1	-90	71.2	0	0	0	112.5	H473 F476 F521 L525 M560 V561 L566 C567 L568	H473-W564 AromaticContact CE1-NE1 3.55Å; H473-W564 AromaticContact ND1-CE2 3.75Å; H473-W564 AromaticContact ND1-CZ2 3.71Å; H473-W564 AromaticContact ND1-NE1 3.25Å; H473-W564 PolarHBondContact ND1-NE1 3.22Å; F476-W564 AromaticContact CD1-CH2 3.78Å; F476-W564 HydrophobicContact CD1-CH2 3.78Å; F476-W564 AromaticContact CD1-CZ2 3.77Å; F476-W564 HydrophobicContact CD1-CZ2 3.77Å; F476-W564 AromaticContact CE1-CH2 3.29Å; F476-W564 HydrophobicContact CE1-CH2 3.29Å; F476-W564 AromaticContact CE1-CZ2 3.78Å; F476-W564 HydrophobicContact CE1-CZ2 3.78Å; F476-W564 HydrophobicContact CE1-CZ3 4.21Å; F476-W564 AromaticContact CZ-CH2 3.92Å; F476-W564 HydrophobicContact CZ-CH2 3.92Å; F521-W564 HydrophobicContact CE2-CE3 4.27Å; F521-W564 HydrophobicContact CE2-CZ3 4.46Å; F521-W564 AromaticContact CZ-CE3 3.99Å; F521-W564 HydrophobicContact CZ-CE3 3.99Å; F521-W564 HydrophobicContact CZ-CH2 4.18Å; F521-W564 AromaticContact CZ-CZ3 3.78Å; F521-W564 HydrophobicContact CZ-CZ3 3.78Å; L525-W564 HydrophobicContact CD1-CG 4.31Å; L525-W564 HydrophobicContact CD2-CD2 4.39Å; L525-W564 HydrophobicContact CD2-CZ2 3.95Å; M560-W564 VanDerWaalsContact O-CD1 3.23Å; M560-W564 PolarHBondContact O-N 2.61Å; V561-W564 PolarHBondContact O-N 3.08Å; W564-L566 VanDerWaalsContact C-N 3.34Å; W564-L566 PolarHBondContact O-N 3.02Å; W564-C567 PolarHBondContact O-N 2.7Å; W564-L568 VanDerWaalsContact O-CB 3.31Å; W564-L568 WeakPolarHBondContact O-CB 3.46Å; W564-L568 WeakPolarHBondContact O-CG 3.27Å; W564-L568 PolarHBondContact O-N 2.91Å
565	V	96.5	Very high	93.1	Very high	93 Å²	93	49.6 Å²	49.6	56%	0.564	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-40.2	175.9	171.9	0	0	0	0	111.4	V561 A562 G563 L569	V561-V565 WeakPolarHBondContact O-CG2 3.49Å; V561-V565 PolarHBondContact O-N 3.1Å; A562-V565 PolarHBondContact O-N 3.24Å; G563-V565 VanDerWaalsContact C-N 3.34Å; G563-V565 PolarHBondContact O-N 3.06Å; V565-L569 WeakPolarHBondContact O-CB 3.04Å; V565-L569 PolarHBondContact O-N 3.26Å
566	L	94.3	Very high	93.2	Very high	69 Å²	69	49.6 Å²	49.6	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-49.4	176.3	179.1	61.6	0	0	0	112.2	A562 G563 W564 L568 L569 L570	A562-L566 PolarHBondContact O-N 3.45Å; A562-L566 VanDerWaalsContact O-N 3.09Å; G563-L566 WeakPolarHBondContact O-CB 3.41Å; G563-L566 PolarHBondContact O-N 3.16Å; G563-L566 VanDerWaalsContact O-N 3.12Å; W564-L566 VanDerWaalsContact C-N 3.34Å; W564-L566 PolarHBondContact O-N 3.02Å; L566-L568 PolarHBondContact O-N 2.8Å; L566-L569 PolarHBondContact O-N 3.4Å; L566-L570 HydrophobicContact CD1-CD1 4.3Å; L566-L570 HydrophobicContact CD1-CG 4.36Å; L566-L570 HydrophobicContact CG-CD1 4.24Å; L566-L570 WeakPolarHBondContact O-CG 3.5Å; L566-L570 PolarHBondContact O-N 2.77Å
567	C	95.2	Very high	93	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-37.1	-179.3	-58.2	0	0	0	0	112.1	F521 E524 L525 G563 W564 A571	F521-C567 HydrophobicContact CD2-CB 4.12Å; F521-C567 HydrophobicContact CE2-CB 4.33Å; E524-C567 VanDerWaalsContact C-SG 3.54Å; E524-C567 HydrophobicContact CB-CB 4.22Å; L525-C567 HydrophobicContact CB-CB 4.25Å; L525-C567 PolarHBondContact N-SG 2.04Å; G563-C567 PolarHBondContact O-N 3.17Å; G563-C567 PolarHBondContact O-SG 2.77Å; W564-C567 PolarHBondContact O-N 2.7Å; C567-A571 WeakPolarHBondContact O-CB 3.5Å; C567-A571 PolarHBondContact O-N 2.61Å
568	L	95.6	Very high	92.7	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-44	171.7	-73.7	169.9	0	0	0	111.5	F517 F521 W564 L566 A571 L572	F517-L568 HydrophobicContact CE2-CD2 4.37Å; F517-L568 HydrophobicContact CZ-CD2 3.93Å; F521-L568 HydrophobicContact CD2-CD2 3.81Å; F521-L568 HydrophobicContact CD2-CG 4.18Å; F521-L568 HydrophobicContact CE2-CD2 3.67Å; F521-L568 HydrophobicContact CE2-CG 3.85Å; F521-L568 HydrophobicContact CZ-CD2 4.46Å; W564-L568 VanDerWaalsContact O-CB 3.31Å; W564-L568 WeakPolarHBondContact O-CB 3.46Å; W564-L568 WeakPolarHBondContact O-CG 3.27Å; W564-L568 PolarHBondContact O-N 2.91Å; L566-L568 PolarHBondContact O-N 2.8Å; L568-A571 PolarHBondContact O-N 3.45Å; L568-L572 WeakPolarHBondContact O-CB 3.46Å; L568-L572 WeakPolarHBondContact O-CG 2.95Å; L568-L572 PolarHBondContact O-N 3.05Å
569	L	94.5	Very high	92.4	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-47.5	176.7	179.3	62	0	0	0	111.4	V565 L566 A571 L572 L573	V565-L569 WeakPolarHBondContact O-CB 3.04Å; V565-L569 PolarHBondContact O-N 3.26Å; L566-L569 PolarHBondContact O-N 3.4Å; L569-A571 PolarHBondContact O-N 2.8Å; L569-L572 PolarHBondContact O-N 3.1Å; L569-L573 HydrophobicContact CD1-CG 4.43Å; L569-L573 HydrophobicContact CG-CD1 4.4Å; L569-L573 WeakPolarHBondContact O-CG 3.47Å; L569-L573 PolarHBondContact O-N 2.67Å; L569-L573 VanDerWaalsContact O-N 3.09Å
570	L	92.7	Very high	92.1	Very high	5 Å²	5	49 Å²	49	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-45.1	178.1	-68.6	173	0	0	0	112	E524 L566 L572 P574 Y600 L603 V604 L607	E524-L570 HydrophobicContact CG-CD1 4.13Å; L566-L570 HydrophobicContact CD1-CD1 4.3Å; L566-L570 HydrophobicContact CD1-CG 4.36Å; L566-L570 HydrophobicContact CG-CD1 4.24Å; L566-L570 WeakPolarHBondContact O-CG 3.5Å; L566-L570 PolarHBondContact O-N 2.77Å; L570-L572 VanDerWaalsContact C-N 3.34Å; L570-L572 PolarHBondContact O-N 2.91Å; L570-P574 VanDerWaalsContact O-CD 3.3Å; L570-P574 WeakPolarHBondContact O-CD 3.38Å; L570-Y600 WeakPolarHBondContact O-CE2 3.48Å; L570-Y600 PolarHBondContact O-OH 3.47Å; L570-L603 HydrophobicContact CD2-CD2 4.47Å; L570-V604 HydrophobicContact CD2-CG2 4.17Å; L570-L607 HydrophobicContact CD1-CD1 3.97Å; L570-L607 HydrophobicContact CD2-CD1 4.45Å
571	A	93.8	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-21.3	178.5	0	0	0	0	0	114.4	F517 V520 F521 C567 L568 L569 Y581	F517-A571 HydrophobicContact CD2-CB 3.61Å; F517-A571 HydrophobicContact CE2-CB 3.74Å; F517-A571 HydrophobicContact CG-CB 4.39Å; V520-A571 HydrophobicContact CB-CB 4.29Å; V520-A571 HydrophobicContact CG1-CB 4.16Å; F521-A571 HydrophobicContact CB-CB 3.71Å; C567-A571 WeakPolarHBondContact O-CB 3.5Å; C567-A571 PolarHBondContact O-N 2.61Å; L568-A571 PolarHBondContact O-N 3.45Å; L569-A571 PolarHBondContact O-N 2.8Å; A571-Y581 PolarHBondContact O-OH 3.37Å; A571-Y581 VanDerWaalsContact O-OH 3.08Å
572	L	93.9	Very high	91.2	Very high	81 Å²	81	49 Å²	49	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-85.4	-26.4	176.2	-71.5	171	0	0	0	113.2	F517 L568 L569 L570 L575 V576	F517-L572 HydrophobicContact CD2-CD2 4.32Å; F517-L572 HydrophobicContact CE2-CD2 4.05Å; F517-L572 HydrophobicContact CE2-CG 4.23Å; L568-L572 WeakPolarHBondContact O-CB 3.46Å; L568-L572 WeakPolarHBondContact O-CG 2.95Å; L568-L572 PolarHBondContact O-N 3.05Å; L569-L572 PolarHBondContact O-N 3.1Å; L570-L572 VanDerWaalsContact C-N 3.34Å; L570-L572 PolarHBondContact O-N 2.91Å; L572-L575 HydrophobicContact CD2-CD1 4.3Å; L572-L575 WeakPolarHBondContact O-CB 3.29Å; L572-L575 PolarHBondContact O-N 2.88Å; L572-V576 PolarHBondContact O-N 2.94Å; L572-V576 VanDerWaalsContact O-N 3.11Å
573	L	91.4	Very high	90.3	Very high	42 Å²	42	49.5 Å²	49.5	22%	0.22	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.5	-176.8	-80.2	165.8	0	0	0	114.1	L569 L575 V576 G577 V578 Y600	L569-L573 HydrophobicContact CD1-CG 4.43Å; L569-L573 HydrophobicContact CG-CD1 4.4Å; L569-L573 WeakPolarHBondContact O-CG 3.47Å; L569-L573 PolarHBondContact O-N 2.67Å; L569-L573 VanDerWaalsContact O-N 3.09Å; L573-L575 VanDerWaalsContact C-N 3.31Å; L573-L575 PolarHBondContact O-N 3.24Å; L573-V576 WeakPolarHBondContact O-CG2 3.3Å; L573-V576 PolarHBondContact O-N 2.94Å; L573-G577 PolarHBondContact O-N 3.38Å; L573-V578 HydrophobicContact CB-CB 4.38Å; L573-V578 HydrophobicContact CD2-CB 4.22Å; L573-V578 HydrophobicContact CD2-CG1 4.43Å; L573-V578 HydrophobicContact CD2-CG2 3.84Å; L573-V578 WeakPolarHBondContact O-CB 3.28Å; L573-V578 PolarHBondContact O-N 3.25Å; L573-V578 VanDerWaalsContact O-N 3.09Å; L573-Y600 HydrophobicContact CB-CD2 3.99Å; L573-Y600 HydrophobicContact CB-CE2 3.89Å; L573-Y600 HydrophobicContact CD1-CD2 4.09Å; L573-Y600 HydrophobicContact CD1-CE2 4.25Å
574	P	89.8	Confident	89.6	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.058	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.9	174.8	-16.1	31.7	0	0	0	114.4	L570 S579 Y581 P589 Y600	L570-P574 VanDerWaalsContact O-CD 3.3Å; L570-P574 WeakPolarHBondContact O-CD 3.38Å; P574-S579 WeakPolarHBondContact CA-O 3Å; P574-S579 VanDerWaalsContact O-O 3.07Å; P574-Y581 HydrophobicContact CB-CD1 4.33Å; P574-Y581 HydrophobicContact CB-CD2 3.94Å; P574-Y581 HydrophobicContact CB-CE1 4.07Å; P574-Y581 HydrophobicContact CB-CE2 3.65Å; P574-Y581 HydrophobicContact CB-CG 4.27Å; P574-Y581 HydrophobicContact CG-CE1 4.01Å; P574-Y581 HydrophobicContact CG-CE2 4.09Å; P574-P589 HydrophobicContact CB-CB 4.42Å; P574-P589 HydrophobicContact CG-CB 4.11Å; P574-Y600 HydrophobicContact CG-CE1 3.93Å; P574-Y600 HydrophobicContact CG-CE2 4.07Å
575	L	89.1	Confident	88.7	Confident	87 Å²	87	47.3 Å²	47.3	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-29.3	172.6	-63.1	-176.6	0	0	0	112.5	F517 L572 L573 G577 Y581	F517-L575 HydrophobicContact CB-CD1 4.24Å; F517-L575 HydrophobicContact CD2-CD1 4.23Å; L572-L575 HydrophobicContact CD2-CD1 4.3Å; L572-L575 WeakPolarHBondContact O-CB 3.29Å; L572-L575 PolarHBondContact O-N 2.88Å; L573-L575 VanDerWaalsContact C-N 3.31Å; L573-L575 PolarHBondContact O-N 3.24Å; L575-G577 VanDerWaalsContact C-N 3.29Å; L575-Y581 HydrophobicContact CD2-CD2 3.78Å; L575-Y581 HydrophobicContact CD2-CE2 3.79Å; L575-Y581 HydrophobicContact CG-CD2 4.48Å; L575-Y581 HydrophobicContact CG-CE2 4.01Å
576	V	89.7	Confident	88	Confident	112 Å²	112	43.3 Å²	43.3	68%	0.679	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10	174.3	-57.4	0	0	0	0	113.5	L572 L573 V578	L572-V576 PolarHBondContact O-N 2.94Å; L572-V576 VanDerWaalsContact O-N 3.11Å; L573-V576 WeakPolarHBondContact O-CG2 3.3Å; L573-V576 PolarHBondContact O-N 2.94Å; V576-V578 HydrophobicContact CG2-CG2 4.32Å
577	G	83.9	Confident	87.6	Confident	64 Å²	64	40 Å²	40	66%	0.66	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	14.3	170.4	0	0	0	0	0	116.6	L573 L575 S579	L573-G577 PolarHBondContact O-N 3.38Å; L575-G577 VanDerWaalsContact C-N 3.29Å; G577-S579 VanDerWaalsContact C-N 3.34Å
578	V	86.1	Confident	87	Confident	51 Å²	51	40.6 Å²	40.6	31%	0.309	23%	0.233	S	C	.	.	S	Bend	trans	-77.1	-25.1	173.3	178.2	0	0	0	0	111.9	L573 V576 A596 A597	L573-V578 HydrophobicContact CB-CB 4.38Å; L573-V578 HydrophobicContact CD2-CB 4.22Å; L573-V578 HydrophobicContact CD2-CG1 4.43Å; L573-V578 HydrophobicContact CD2-CG2 3.84Å; L573-V578 WeakPolarHBondContact O-CB 3.28Å; L573-V578 PolarHBondContact O-N 3.25Å; L573-V578 VanDerWaalsContact O-N 3.09Å; V576-V578 HydrophobicContact CG2-CG2 4.32Å; V578-A596 HydrophobicContact CG1-CB 4.43Å; V578-A596 CarbonylContact O-C 3.59Å; V578-A597 WeakPolarHBondContact O-CA 2.98Å; V578-A597 PolarHBondContact O-N 3.25Å
579	S	86.9	Confident	86.2	Confident	8 Å²	8	38.2 Å²	38.2	6%	0.056	22%	0.221	C	C	.	.	S	Bend	trans	-146.2	-174.9	170	-175.3	0	0	0	0	108.3	P574 G577	P574-S579 WeakPolarHBondContact CA-O 3Å; P574-S579 VanDerWaalsContact O-O 3.07Å; G577-S579 VanDerWaalsContact C-N 3.34Å
580	S	85.9	Confident	85	Confident	25 Å²	25	36.7 Å²	36.7	18%	0.175	21%	0.212	C	C	.	.			trans	-138.5	125.9	179.9	-177.2	0	0	0	0	112.6	Q582	S580-Q582 PolarHBondContact O-N 3.19Å; S580-Q582 WeakPolarHBondContact OG-CB 3Å; S580-Q582 PolarHBondContact OG-N 3.15Å; S580-Q582 VanDerWaalsContact OG-N 3.14Å
581	Y	86.8	Confident	84	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.02	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-72.3	-15.5	168.2	-65.1	-56.1	0	0	0	113.1	G516 V520 A571 P574 L575 K583 C587 P589	G516-Y581 VanDerWaalsContact C-CE1 3.46Å; G516-Y581 WeakPolarHBondContact O-CE1 3.38Å; G516-Y581 VanDerWaalsContact O-CZ 3.24Å; G516-Y581 PolarHBondContact O-OH 3.18Å; G516-Y581 VanDerWaalsContact O-OH 3.14Å; V520-Y581 HydrophobicContact CG2-CE1 3.8Å; A571-Y581 PolarHBondContact O-OH 3.37Å; A571-Y581 VanDerWaalsContact O-OH 3.08Å; P574-Y581 HydrophobicContact CB-CD1 4.33Å; P574-Y581 HydrophobicContact CB-CD2 3.94Å; P574-Y581 HydrophobicContact CB-CE1 4.07Å; P574-Y581 HydrophobicContact CB-CE2 3.65Å; P574-Y581 HydrophobicContact CB-CG 4.27Å; P574-Y581 HydrophobicContact CG-CE1 4.01Å; P574-Y581 HydrophobicContact CG-CE2 4.09Å; L575-Y581 HydrophobicContact CD2-CD2 3.78Å; L575-Y581 HydrophobicContact CD2-CE2 3.79Å; L575-Y581 HydrophobicContact CG-CD2 4.48Å; L575-Y581 HydrophobicContact CG-CE2 4.01Å; Y581-K583 VanDerWaalsContact C-N 3.3Å; Y581-K583 PolarHBondContact O-N 3.26Å; Y581-C587 WeakPolarHBondContact CD1-O 3.32Å; Y581-C587 CarbonylContact O-C 3.39Å; Y581-C587 WeakPolarHBondContact O-CA 3.4Å; Y581-P589 HydrophobicContact CD1-CB 3.87Å; Y581-P589 HydrophobicContact CD1-CG 4.18Å; Y581-P589 HydrophobicContact CE1-CB 3.85Å; Y581-P589 HydrophobicContact CE1-CG 3.84Å
582	Q	84.4	Confident	82.8	Confident	92 Å²	92	41.4 Å²	41.4	43%	0.43	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-77.2	-12.5	-166.9	-50.2	-168.4	-19.5	0	0	113.9	Q507 S580 V584	Q507-Q582 WeakPolarHBondContact CB-O 3.37Å; Q507-Q582 PolarHBondContact NE2-O 3.1Å; Q507-Q582 WeakPolarHBondContact O-CB 3.49Å; Q507-Q582 WeakPolarHBondContact O-CG 3.05Å; S580-Q582 PolarHBondContact O-N 3.19Å; S580-Q582 WeakPolarHBondContact OG-CB 3Å; S580-Q582 PolarHBondContact OG-N 3.15Å; S580-Q582 VanDerWaalsContact OG-N 3.14Å; Q582-V584 PolarHBondContact O-N 3.06Å
583	K	76.9	Confident	81.7	Confident	69 Å²	69	44.9 Å²	44.9	30%	0.3	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-68.2	-34.6	-172.4	-66	-63.5	-165.4	178.3	0	114.2	Q507 Y581 D591 Q593	Q507-K583 PolarHBondContact NE2-O 3.1Å; Y581-K583 VanDerWaalsContact C-N 3.3Å; Y581-K583 PolarHBondContact O-N 3.26Å; K583-D591 VanDerWaalsContact CE-OD1 3.26Å; K583-D591 WeakPolarHBondContact CE-OD1 3.24Å; K583-D591 WeakPolarHBondContact CE-OD2 3.37Å; K583-D591 HydrophobicContact CG-CB 3.85Å; K583-D591 IonicContact NZ-OD2 3.4Å; K583-Q593 VanDerWaalsContact NZ-CD 3.31Å
584	V	77.6	Confident	81.2	Confident	16 Å²	16	45.3 Å²	45.3	10%	0.097	26%	0.261	C	S	.	.	S	Bend	trans	-119.6	143.8	-172.2	-177.1	0	0	0	0	109.8	F423 Q582 I586 C587 M590	F423-V584 HydrophobicContact CD1-CG2 4.28Å; Q582-V584 PolarHBondContact O-N 3.06Å; V584-I586 PolarHBondContact O-N 2.98Å; V584-I586 VanDerWaalsContact O-N 3.12Å; V584-C587 PolarHBondContact O-N 3.09Å; V584-M590 HydrophobicContact CG2-CB 3.92Å; V584-M590 HydrophobicContact CG2-CG 4.26Å
585	S	78.1	Confident	80.9	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.028	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.7	-178	57.6	0	0	0	0	114.8	Y499 W506 C587	Y499-S585 WeakPolarHBondContact OH-CB 3.48Å; W506-S585 PolarHBondContact NE1-O 3.23Å; S585-C587 VanDerWaalsContact C-N 3.29Å
586	I	80.6	Confident	80.8	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.041	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.5	179.6	-60.8	172.1	0	0	0	111.8	I429 Y484 V584 L588 K678 L681 V682	I429-I586 HydrophobicContact CG2-CG1 3.99Å; Y484-I586 WeakPolarHBondContact OH-CG2 3.14Å; V584-I586 PolarHBondContact O-N 2.98Å; V584-I586 VanDerWaalsContact O-N 3.12Å; I586-L588 HydrophobicContact CG2-CD1 4.47Å; I586-K678 HydrophobicContact CD1-CG 4.26Å; I586-L681 HydrophobicContact CG2-CD2 3.82Å; I586-V682 HydrophobicContact CD1-CG2 4.25Å
587	C	87	Confident	80.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.257	C	S	.	.			trans	65.2	36	173.3	-56.7	0	0	0	0	115.5	W506 C512 A515 G516 Y581 V584 S585	W506-C587 WeakPolarHBondContact CZ2-SG 3.34Å; C512-C587 WeakPolarHBondContact CA-SG 3.48Å; C512-C587 HydrophobicContact CB-CB 4.16Å; C512-C587 WeakPolarHBondContact CB-SG 3.48Å; C512-C587 WeakPolarHBondContact O-CB 3.3Å; C512-C587 WeakPolarHBondContact SG-CB 3.43Å; C512-C587 CovalentContact SG-SG 2.03Å; C512-C587 PolarHBondContact SG-SG 2.79Å; A515-C587 HydrophobicContact CB-CB 4.04Å; G516-C587 WeakPolarHBondContact CA-O 3.29Å; Y581-C587 WeakPolarHBondContact CD1-O 3.32Å; Y581-C587 CarbonylContact O-C 3.39Å; Y581-C587 WeakPolarHBondContact O-CA 3.4Å; V584-C587 PolarHBondContact O-N 3.09Å; S585-C587 VanDerWaalsContact C-N 3.29Å
588	L	82.3	Confident	80.3	Confident	15 Å²	15	45 Å²	45	8%	0.079	25%	0.249	C	C	.	.			trans	-95.1	151.1	176.1	-79.8	170.8	0	0	0	112.9	T519 I586 M590 L681	T519-L588 HydrophobicContact CG2-CD2 3.67Å; I586-L588 HydrophobicContact CG2-CD1 4.47Å; L588-M590 HydrophobicContact CB-CG 4.07Å; L588-M590 PolarHBondContact O-N 2.87Å; L588-L681 HydrophobicContact CD1-CD1 3.28Å; L588-L681 HydrophobicContact CD1-CD2 3.45Å; L588-L681 VanDerWaalsContact CD1-CD2 3.45Å; L588-L681 HydrophobicContact CD1-CG 3.93Å
589	P	79.3	Confident	80.3	Confident	13 Å²	13	47.2 Å²	47.2	8%	0.084	26%	0.262	C	S	.	.			trans	-82	67.8	-177.3	36	-34	0	0	0	110.4	V520 P574 Y581 Y600 V601	V520-P589 HydrophobicContact CG2-CG 4.05Å; P574-P589 HydrophobicContact CB-CB 4.42Å; P574-P589 HydrophobicContact CG-CB 4.11Å; Y581-P589 HydrophobicContact CD1-CB 3.87Å; Y581-P589 HydrophobicContact CD1-CG 4.18Å; Y581-P589 HydrophobicContact CE1-CB 3.85Å; Y581-P589 HydrophobicContact CE1-CG 3.84Å; P589-Y600 HydrophobicContact CB-CE1 3.78Å; P589-Y600 HydrophobicContact CG-CE1 3.83Å; P589-V601 WeakPolarHBondContact O-CG2 3.3Å
590	M	69.4	Low	80.3	Confident	64 Å²	64	47.2 Å²	47.2	32%	0.315	26%	0.261	S	S	.	.			trans	-97.2	23	-179.3	-63.7	-62.8	-64.7	0	0	112.7	V584 L588 T592	V584-M590 HydrophobicContact CG2-CB 3.92Å; V584-M590 HydrophobicContact CG2-CG 4.26Å; L588-M590 HydrophobicContact CB-CG 4.07Å; L588-M590 PolarHBondContact O-N 2.87Å; M590-T592 PolarHBondContact O-N 2.76Å
591	D	72.1	Confident	80.2	Confident	19 Å²	19	48 Å²	48	10%	0.102	27%	0.265	C	S	.	.			trans	-75.1	117.9	-179.1	-163.3	-11.1	0	0	0	111.5	K583 Q593 A597	K583-D591 VanDerWaalsContact CE-OD1 3.26Å; K583-D591 WeakPolarHBondContact CE-OD1 3.24Å; K583-D591 WeakPolarHBondContact CE-OD2 3.37Å; K583-D591 HydrophobicContact CG-CB 3.85Å; K583-D591 IonicContact NZ-OD2 3.4Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.84Å; D591-A597 HydrophobicContact CB-CB 4.01Å; D591-A597 WeakPolarHBondContact O-CB 3.04Å
592	T	68.1	Low	79.9	Confident	86 Å²	86	52.1 Å²	52.1	53%	0.528	29%	0.287	S	S	.	.			trans	-111.2	1.4	177.8	54.7	0	0	0	0	112.9	M590 S594	M590-T592 PolarHBondContact O-N 2.76Å; T592-S594 VanDerWaalsContact C-N 3.35Å; T592-S594 PolarHBondContact O-N 3.25Å
593	Q	70.7	Confident	80	Confident	153 Å²	153	51.7 Å²	51.7	72%	0.715	29%	0.287	S	S	*	.	S	Bend	trans	-77.7	-19.2	-174.9	-63.6	-176	-13.6	0	0	113.4	K583 D591	K583-Q593 VanDerWaalsContact NZ-CD 3.31Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.84Å
594	S	81.3	Confident	80.4	Confident	51 Å²	51	49.5 Å²	49.5	36%	0.357	28%	0.279	S	S	.	.	S	Bend	trans	-117.7	145.6	174	77.5	0	0	0	0	111.7	T592 A596 A597 Q598	T592-S594 VanDerWaalsContact C-N 3.35Å; T592-S594 PolarHBondContact O-N 3.25Å; S594-A596 VanDerWaalsContact C-N 3.27Å; S594-A596 PolarHBondContact O-N 2.89Å; S594-A597 PolarHBondContact O-N 2.03Å; S594-A597 VanDerWaalsContact OG-CB 3.25Å; S594-A597 WeakPolarHBondContact OG-CB 3.34Å; S594-A597 PolarHBondContact OG-N 2.81Å; S594-Q598 PolarHBondContact O-N 2.77Å
595	T	83.7	Confident	80.4	Confident	113 Å²	113	49.9 Å²	49.9	69%	0.693	28%	0.28	S	S	*	.	H	α-helix	trans	-63.1	-33.2	178	50.5	0	0	0	0	112.4	V599	T595-V599 WeakPolarHBondContact O-CB 3.12Å; T595-V599 VanDerWaalsContact O-CG2 3.27Å; T595-V599 WeakPolarHBondContact O-CG2 3.35Å; T595-V599 PolarHBondContact O-N 2.72Å
596	A	85.4	Confident	80.6	Confident	50 Å²	50	53.4 Å²	53.4	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.8	0	0	0	0	0	111.7	V578 S594 V599 Y600	V578-A596 HydrophobicContact CG1-CB 4.43Å; V578-A596 CarbonylContact O-C 3.59Å; S594-A596 VanDerWaalsContact C-N 3.27Å; S594-A596 PolarHBondContact O-N 2.89Å; A596-V599 PolarHBondContact O-N 2.72Å; A596-Y600 PolarHBondContact O-N 2.81Å
597	A	82.3	Confident	80.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-42.3	177.9	0	0	0	0	0	111.7	V578 D591 S594 V599 Y600 V601	V578-A597 WeakPolarHBondContact O-CA 2.98Å; V578-A597 PolarHBondContact O-N 3.25Å; D591-A597 HydrophobicContact CB-CB 4.01Å; D591-A597 WeakPolarHBondContact O-CB 3.04Å; S594-A597 PolarHBondContact O-N 2.03Å; S594-A597 VanDerWaalsContact OG-CB 3.25Å; S594-A597 WeakPolarHBondContact OG-CB 3.34Å; S594-A597 PolarHBondContact OG-N 2.81Å; A597-V599 PolarHBondContact O-N 2.83Å; A597-Y600 WeakPolarHBondContact O-CB 3.2Å; A597-Y600 PolarHBondContact O-N 2.82Å; A597-V601 WeakPolarHBondContact O-CG2 3.37Å; A597-V601 PolarHBondContact O-N 2.63Å
598	Q	80.8	Confident	80.5	Confident	104 Å²	104	57.2 Å²	57.2	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-43.7	175.3	-170.1	-175.1	18.8	0	0	112.3	S594 V601 L602	S594-Q598 PolarHBondContact O-N 2.77Å; Q598-V601 PolarHBondContact O-N 2.98Å; Q598-L602 WeakPolarHBondContact O-CB 3.46Å; Q598-L602 PolarHBondContact O-N 2.87Å
599	V	86.1	Confident	80.3	Confident	97 Å²	97	59 Å²	59	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-38.6	176.1	168.5	0	0	0	0	111.5	T595 A596 A597 L602 L603	T595-V599 WeakPolarHBondContact O-CB 3.12Å; T595-V599 VanDerWaalsContact O-CG2 3.27Å; T595-V599 WeakPolarHBondContact O-CG2 3.35Å; T595-V599 PolarHBondContact O-N 2.72Å; A596-V599 PolarHBondContact O-N 2.72Å; A597-V599 PolarHBondContact O-N 2.83Å; V599-L602 PolarHBondContact O-N 2.87Å; V599-L603 WeakPolarHBondContact O-CB 3.24Å; V599-L603 PolarHBondContact O-N 3.24Å
600	Y	88.2	Confident	80.5	Confident	8 Å²	8	63.2 Å²	63.2	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-47.7	173.6	164.8	-86.8	0	0	0	112	L570 L573 P574 P589 A596 A597 L602 L603 V604	L570-Y600 WeakPolarHBondContact O-CE2 3.48Å; L570-Y600 PolarHBondContact O-OH 3.47Å; L573-Y600 HydrophobicContact CB-CD2 3.99Å; L573-Y600 HydrophobicContact CB-CE2 3.89Å; L573-Y600 HydrophobicContact CD1-CD2 4.09Å; L573-Y600 HydrophobicContact CD1-CE2 4.25Å; P574-Y600 HydrophobicContact CG-CE1 3.93Å; P574-Y600 HydrophobicContact CG-CE2 4.07Å; P589-Y600 HydrophobicContact CB-CE1 3.78Å; P589-Y600 HydrophobicContact CG-CE1 3.83Å; A596-Y600 PolarHBondContact O-N 2.81Å; A597-Y600 WeakPolarHBondContact O-CB 3.2Å; A597-Y600 PolarHBondContact O-N 2.82Å; Y600-L602 VanDerWaalsContact C-N 3.35Å; Y600-L602 PolarHBondContact O-N 2.86Å; Y600-L603 WeakPolarHBondContact O-CB 3.31Å; Y600-L603 PolarHBondContact O-N 3.23Å; Y600-V604 HydrophobicContact CE1-CG2 4.22Å; Y600-V604 HydrophobicContact CE2-CG2 4.04Å; Y600-V604 PolarHBondContact O-N 3.49Å; Y600-V604 VanDerWaalsContact O-N 3.08Å
601	V	82.4	Confident	81.2	Confident	42 Å²	42	60.9 Å²	60.9	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-42.4	179.3	175.1	0	0	0	0	111	P589 A597 Q598 L603 V604 L605	P589-V601 WeakPolarHBondContact O-CG2 3.3Å; A597-V601 WeakPolarHBondContact O-CG2 3.37Å; A597-V601 PolarHBondContact O-N 2.63Å; Q598-V601 PolarHBondContact O-N 2.98Å; V601-L603 PolarHBondContact O-N 3.2Å; V601-V604 PolarHBondContact O-N 2.83Å; V601-L605 WeakPolarHBondContact O-CB 3.34Å; V601-L605 PolarHBondContact O-N 2.88Å
602	L	81.9	Confident	81.5	Confident	91 Å²	91	63 Å²	63	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-39	176	-176.7	61.5	0	0	0	112.1	Q598 V599 Y600 L605 V606	Q598-L602 WeakPolarHBondContact O-CB 3.46Å; Q598-L602 PolarHBondContact O-N 2.87Å; V599-L602 PolarHBondContact O-N 2.87Å; Y600-L602 VanDerWaalsContact C-N 3.35Å; Y600-L602 PolarHBondContact O-N 2.86Å; L602-L605 PolarHBondContact O-N 2.57Å; L602-V606 HydrophobicContact CD1-CG2 4.14Å; L602-V606 HydrophobicContact CG-CG2 4.39Å; L602-V606 WeakPolarHBondContact O-CB 3.46Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.46Å; L602-V606 PolarHBondContact O-N 2.95Å
603	L	86.8	Confident	82.1	Confident	83 Å²	83	65.2 Å²	65.2	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-49.8	176.6	176	63.3	0	0	0	111.6	L570 V599 Y600 V601 L605 V606 L607	L570-L603 HydrophobicContact CD2-CD2 4.47Å; V599-L603 WeakPolarHBondContact O-CB 3.24Å; V599-L603 PolarHBondContact O-N 3.24Å; Y600-L603 WeakPolarHBondContact O-CB 3.31Å; Y600-L603 PolarHBondContact O-N 3.23Å; V601-L603 PolarHBondContact O-N 3.2Å; L603-L605 VanDerWaalsContact C-N 3.33Å; L603-L605 PolarHBondContact O-N 3.32Å; L603-V606 PolarHBondContact O-N 2.97Å; L603-L607 HydrophobicContact CD1-CD1 4.2Å; L603-L607 HydrophobicContact CD1-CG 4.27Å; L603-L607 HydrophobicContact CG-CD1 4.14Å; L603-L607 WeakPolarHBondContact O-CG 3.46Å; L603-L607 PolarHBondContact O-N 2.85Å
604	V	84.3	Confident	82.8	Confident	23 Å²	23	60.6 Å²	60.6	14%	0.139	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-42.5	178	173.6	0	0	0	0	110.9	L570 Y600 V601 L607 N608	L570-V604 HydrophobicContact CD2-CG2 4.17Å; Y600-V604 HydrophobicContact CE1-CG2 4.22Å; Y600-V604 HydrophobicContact CE2-CG2 4.04Å; Y600-V604 PolarHBondContact O-N 3.49Å; Y600-V604 VanDerWaalsContact O-N 3.08Å; V601-V604 PolarHBondContact O-N 2.83Å; V604-L607 PolarHBondContact O-N 2.04Å; V604-N608 PolarHBondContact O-N 2.82Å; V604-N608 VanDerWaalsContact O-N 3.16Å; V604-N608 PolarHBondContact O-ND2 2.03Å
605	L	78.3	Confident	82.6	Confident	24 Å²	24	58.4 Å²	58.4	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-46.4	175.4	178.3	56.7	0	0	0	112.4	V601 L602 L603 L607 N608 I609 A662 A666	V601-L605 WeakPolarHBondContact O-CB 3.34Å; V601-L605 PolarHBondContact O-N 2.88Å; L602-L605 PolarHBondContact O-N 2.57Å; L603-L605 VanDerWaalsContact C-N 3.33Å; L603-L605 PolarHBondContact O-N 3.32Å; L605-L607 VanDerWaalsContact C-N 3.35Å; L605-L607 PolarHBondContact O-N 2.95Å; L605-N608 PolarHBondContact O-N 3.21Å; L605-I609 HydrophobicContact CD1-CD1 3.77Å; L605-I609 HydrophobicContact CD1-CG1 4.16Å; L605-I609 HydrophobicContact CG-CD1 3.84Å; L605-I609 WeakPolarHBondContact O-CG1 3.39Å; L605-I609 PolarHBondContact O-N 3.06Å; L605-A662 HydrophobicContact CD1-CB 3.47Å; L605-A662 VanDerWaalsContact CD1-CB 3.47Å; L605-A662 HydrophobicContact CD2-CB 3.84Å; L605-A662 HydrophobicContact CG-CB 4.24Å; L605-A666 HydrophobicContact CD2-CB 4.34Å
606	V	82.6	Confident	82.4	Confident	77 Å²	77	55.8 Å²	55.8	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-36.9	-179.7	168	0	0	0	0	111.8	L602 L603 I609 L610	L602-V606 HydrophobicContact CD1-CG2 4.14Å; L602-V606 HydrophobicContact CG-CG2 4.39Å; L602-V606 WeakPolarHBondContact O-CB 3.46Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.46Å; L602-V606 PolarHBondContact O-N 2.95Å; L603-V606 PolarHBondContact O-N 2.97Å; V606-I609 PolarHBondContact O-N 2.79Å; V606-L610 VanDerWaalsContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CB 3.31Å; V606-L610 PolarHBondContact O-N 2.9Å
607	L	84.4	Confident	82.2	Confident	55 Å²	55	56.1 Å²	56.1	29%	0.288	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-45.4	174.5	-73.1	171.1	0	0	0	111.8	L570 L603 V604 L605 L610 A611	L570-L607 HydrophobicContact CD1-CD1 3.97Å; L570-L607 HydrophobicContact CD2-CD1 4.45Å; L603-L607 HydrophobicContact CD1-CD1 4.2Å; L603-L607 HydrophobicContact CD1-CG 4.27Å; L603-L607 HydrophobicContact CG-CD1 4.14Å; L603-L607 WeakPolarHBondContact O-CG 3.46Å; L603-L607 PolarHBondContact O-N 2.85Å; V604-L607 PolarHBondContact O-N 2.04Å; L605-L607 VanDerWaalsContact C-N 3.35Å; L605-L607 PolarHBondContact O-N 2.95Å; L607-L610 PolarHBondContact O-N 2.85Å; L607-A611 WeakPolarHBondContact O-CB 3.47Å; L607-A611 PolarHBondContact O-N 3.43Å
608	N	79.7	Confident	82.1	Confident	33 Å²	33	56.5 Å²	56.5	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-41.4	177	-80.2	-75.2	0	0	0	112.5	E524 V604 L605 A611 F612	E524-N608 PolarHBondContact OE1-ND2 3.22Å; E524-N608 PolarHBondContact OE2-ND2 3.02Å; V604-N608 PolarHBondContact O-N 2.82Å; V604-N608 VanDerWaalsContact O-N 3.16Å; V604-N608 PolarHBondContact O-ND2 2.03Å; L605-N608 PolarHBondContact O-N 3.21Å; N608-A611 WeakPolarHBondContact O-CB 3.44Å; N608-A611 PolarHBondContact O-N 2.91Å; N608-F612 PolarHBondContact O-N 3.09Å
609	I	78.4	Confident	81.8	Confident	52 Å²	52	53.2 Å²	53.2	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-41.4	174.8	-69.5	170.1	0	0	0	111.1	L605 V606 F612 F613	L605-I609 HydrophobicContact CD1-CD1 3.77Å; L605-I609 HydrophobicContact CD1-CG1 4.16Å; L605-I609 HydrophobicContact CG-CD1 3.84Å; L605-I609 WeakPolarHBondContact O-CG1 3.39Å; L605-I609 PolarHBondContact O-N 3.06Å; V606-I609 PolarHBondContact O-N 2.79Å; I609-F612 PolarHBondContact O-N 3.2Å; I609-F613 HydrophobicContact CG2-CD2 3.84Å; I609-F613 HydrophobicContact CG2-CE2 3.58Å; I609-F613 VanDerWaalsContact O-CD2 3.22Å; I609-F613 WeakPolarHBondContact O-CD2 3.48Å; I609-F613 PolarHBondContact O-N 3.26Å; I609-F613 VanDerWaalsContact O-N 3.11Å
610	L	84.8	Confident	81.4	Confident	102 Å²	102	54.9 Å²	54.9	53%	0.534	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-42.8	176.6	179.7	61.2	0	0	0	111.8	V606 L607 F612 F613 V614	V606-L610 VanDerWaalsContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CB 3.31Å; V606-L610 PolarHBondContact O-N 2.9Å; L607-L610 PolarHBondContact O-N 2.85Å; L610-F612 VanDerWaalsContact C-N 3.33Å; L610-F612 PolarHBondContact O-N 2.68Å; L610-F613 PolarHBondContact O-N 3.35Å; L610-V614 WeakPolarHBondContact O-CG2 3.37Å; L610-V614 PolarHBondContact O-N 3.36Å
611	A	83	Confident	81	Confident	15 Å²	15	60 Å²	60	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-56.5	-46.3	174.5	0	0	0	0	0	111.7	V527 T531 L607 N608 V614 I615	V527-A611 HydrophobicContact CG1-CB 3.68Å; T531-A611 HydrophobicContact CG2-CB 3.6Å; L607-A611 WeakPolarHBondContact O-CB 3.47Å; L607-A611 PolarHBondContact O-N 3.43Å; N608-A611 WeakPolarHBondContact O-CB 3.44Å; N608-A611 PolarHBondContact O-N 2.91Å; A611-V614 PolarHBondContact O-N 3.16Å; A611-I615 WeakPolarHBondContact O-CD1 3.47Å; A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.37Å; A611-I615 PolarHBondContact O-N 2.86Å
612	F	77.4	Confident	80.6	Confident	63 Å²	63	58.3 Å²	58.3	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-47.4	175	171.9	-108.9	0	0	0	112.7	N608 I609 L610 V614 I615 C616 F652	N608-F612 PolarHBondContact O-N 3.09Å; I609-F612 PolarHBondContact O-N 3.2Å; L610-F612 VanDerWaalsContact C-N 3.33Å; L610-F612 PolarHBondContact O-N 2.68Å; F612-V614 VanDerWaalsContact C-N 3.35Å; F612-V614 PolarHBondContact O-N 2.89Å; F612-I615 WeakPolarHBondContact O-CB 3.2Å; F612-I615 PolarHBondContact O-N 2.97Å; F612-C616 WeakPolarHBondContact CE2-SG 3.35Å; F612-C616 WeakPolarHBondContact CZ-SG 3.44Å; F612-C616 PolarHBondContact O-N 3.33Å; F612-F652 HydrophobicContact CD2-CD2 4.28Å; F612-F652 AromaticContact CE2-CD2 3.34Å; F612-F652 HydrophobicContact CE2-CD2 3.34Å; F612-F652 AromaticContact CE2-CE2 3.81Å; F612-F652 HydrophobicContact CE2-CE2 3.81Å; F612-F652 HydrophobicContact CE2-CG 4.27Å; F612-F652 AromaticContact CZ-CD2 3.72Å; F612-F652 HydrophobicContact CZ-CD2 3.72Å; F612-F652 AromaticContact CZ-CE2 3.66Å; F612-F652 HydrophobicContact CZ-CE2 3.66Å
613	F	82.1	Confident	80.2	Confident	134 Å²	134	61 Å²	61	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-63	-38.3	177.4	-78.8	-62.9	0	0	0	113.1	I609 L610 C616 A617	I609-F613 HydrophobicContact CG2-CD2 3.84Å; I609-F613 HydrophobicContact CG2-CE2 3.58Å; I609-F613 VanDerWaalsContact O-CD2 3.22Å; I609-F613 WeakPolarHBondContact O-CD2 3.48Å; I609-F613 PolarHBondContact O-N 3.26Å; I609-F613 VanDerWaalsContact O-N 3.11Å; L610-F613 PolarHBondContact O-N 3.35Å; F613-C616 PolarHBondContact O-N 3.48Å; F613-A617 WeakPolarHBondContact O-CB 3.35Å; F613-A617 PolarHBondContact O-N 3.35Å
614	V	84.1	Confident	79.8	Confident	56 Å²	56	59.8 Å²	59.8	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-44.6	174.4	169.9	0	0	0	0	110.9	L535 L610 A611 F612 A617 C618	L535-V614 HydrophobicContact CD1-CG1 4.49Å; L610-V614 WeakPolarHBondContact O-CG2 3.37Å; L610-V614 PolarHBondContact O-N 3.36Å; A611-V614 PolarHBondContact O-N 3.16Å; F612-V614 VanDerWaalsContact C-N 3.35Å; F612-V614 PolarHBondContact O-N 2.89Å; V614-A617 PolarHBondContact O-N 3.32Å; V614-C618 PolarHBondContact O-N 2.92Å; V614-C618 PolarHBondContact O-SG 3.01Å
615	I	79.1	Confident	79.2	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-52	175.9	-72.8	163	0	0	0	110.5	L530 T531 T534 A611 F612 A617 C618 Y619 I648	L530-I615 HydrophobicContact CD2-CD1 4.05Å; T531-I615 HydrophobicContact CG2-CD1 3.78Å; T531-I615 HydrophobicContact CG2-CG1 3.97Å; T534-I615 HydrophobicContact CG2-CG1 4.19Å; T534-I615 HydrophobicContact CG2-CG2 4.3Å; A611-I615 WeakPolarHBondContact O-CD1 3.47Å; A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.37Å; A611-I615 PolarHBondContact O-N 2.86Å; F612-I615 WeakPolarHBondContact O-CB 3.2Å; F612-I615 PolarHBondContact O-N 2.97Å; I615-A617 VanDerWaalsContact C-N 3.34Å; I615-A617 PolarHBondContact O-N 3.27Å; I615-C618 WeakPolarHBondContact O-CB 3.43Å; I615-C618 PolarHBondContact O-N 2.91Å; I615-C618 VanDerWaalsContact O-N 3.15Å; I615-Y619 HydrophobicContact CG2-CD2 4.05Å; I615-Y619 HydrophobicContact CG2-CE2 4.25Å; I615-Y619 VanDerWaalsContact O-CD2 3.3Å; I615-Y619 WeakPolarHBondContact O-CD2 3.2Å; I615-Y619 PolarHBondContact O-N 3.41Å; I615-I648 HydrophobicContact CG2-CG2 3.34Å
616	C	77.8	Confident	78.8	Confident	59 Å²	59	60.6 Å²	60.6	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-42.8	178.7	-74.3	0	0	0	0	112.8	F612 F613 C618 Y619 F620	F612-C616 WeakPolarHBondContact CE2-SG 3.35Å; F612-C616 WeakPolarHBondContact CZ-SG 3.44Å; F612-C616 PolarHBondContact O-N 3.33Å; F613-C616 PolarHBondContact O-N 3.48Å; C616-C618 PolarHBondContact O-N 2.9Å; C616-Y619 PolarHBondContact O-N 2.91Å; C616-F620 PolarHBondContact O-N 2.82Å
617	A	82.4	Confident	78.2	Confident	56 Å²	56	63.2 Å²	63.2	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176	0	0	0	0	0	112	F613 V614 I615 F620 K621	F613-A617 WeakPolarHBondContact O-CB 3.35Å; F613-A617 PolarHBondContact O-N 3.35Å; V614-A617 PolarHBondContact O-N 3.32Å; I615-A617 VanDerWaalsContact C-N 3.34Å; I615-A617 PolarHBondContact O-N 3.27Å; A617-F620 PolarHBondContact O-N 2.66Å; A617-K621 WeakPolarHBondContact O-CG 3.16Å; A617-K621 PolarHBondContact O-N 3.39Å; A617-K621 VanDerWaalsContact O-N 3.1Å
618	C	79.8	Confident	77.5	Confident	8 Å²	8	64.3 Å²	64.3	5%	0.054	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-43.3	175.3	-67.4	0	0	0	0	111.8	L535 W538 V614 I615 C616 K621 I622	L535-C618 VanDerWaalsContact CD2-SG 3.54Å; W538-C618 HydrophobicContact CB-CB 4.3Å; V614-C618 PolarHBondContact O-N 2.92Å; V614-C618 PolarHBondContact O-SG 3.01Å; I615-C618 WeakPolarHBondContact O-CB 3.43Å; I615-C618 PolarHBondContact O-N 2.91Å; I615-C618 VanDerWaalsContact O-N 3.15Å; C616-C618 PolarHBondContact O-N 2.9Å; C618-K621 PolarHBondContact O-N 2.84Å; C618-I622 WeakPolarHBondContact O-CG1 3.37Å; C618-I622 PolarHBondContact O-N 3.22Å
619	Y	73.4	Confident	76.6	Confident	36 Å²	36	68.5 Å²	68.5	14%	0.141	36%	0.356	C	S	.	.	H	α-helix	trans	-71.1	-34.2	178.6	-80.5	-72	0	0	0	114.4	T534 I615 C616 K621 I622 Y623 M644 I648	T534-Y619 HydrophobicContact CG2-CE2 3.49Å; T534-Y619 VanDerWaalsContact CG2-CE2 3.49Å; I615-Y619 HydrophobicContact CG2-CD2 4.05Å; I615-Y619 HydrophobicContact CG2-CE2 4.25Å; I615-Y619 VanDerWaalsContact O-CD2 3.3Å; I615-Y619 WeakPolarHBondContact O-CD2 3.2Å; I615-Y619 PolarHBondContact O-N 3.41Å; C616-Y619 PolarHBondContact O-N 2.91Å; Y619-K621 VanDerWaalsContact C-N 3.31Å; Y619-K621 PolarHBondContact O-N 2.87Å; Y619-I622 HydrophobicContact CD1-CB 4.4Å; Y619-I622 HydrophobicContact CD1-CD1 3.74Å; Y619-I622 HydrophobicContact CE1-CD1 3.42Å; Y619-I622 VanDerWaalsContact CE1-CD1 3.42Å; Y619-I622 HydrophobicContact CG-CD1 4.42Å; Y619-I622 PolarHBondContact O-N 2.98Å; Y619-Y623 VanDerWaalsContact O-CB 3.32Å; Y619-Y623 WeakPolarHBondContact O-CB 3.46Å; Y619-Y623 PolarHBondContact O-N 2.97Å; Y619-M644 HydrophobicContact CE1-CB 4.24Å; Y619-I648 HydrophobicContact CD1-CD1 3.75Å; Y619-I648 HydrophobicContact CD2-CD1 3.73Å; Y619-I648 HydrophobicContact CD2-CG1 3.9Å; Y619-I648 HydrophobicContact CD2-CG2 4.46Å; Y619-I648 HydrophobicContact CE1-CD1 3.34Å; Y619-I648 HydrophobicContact CE1-CG1 4.31Å; Y619-I648 HydrophobicContact CE2-CB 4.43Å; Y619-I648 HydrophobicContact CE2-CD1 3.33Å; Y619-I648 HydrophobicContact CE2-CG1 3.37Å; Y619-I648 HydrophobicContact CE2-CG2 4.49Å; Y619-I648 HydrophobicContact CG-CD1 3.95Å
620	F	79.4	Confident	75.6	Confident	132 Å²	132	74.7 Å²	74.7	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-44.6	169.7	-173.2	-102.9	0	0	0	110.9	C616 A617 Y623 C624	C616-F620 PolarHBondContact O-N 2.82Å; A617-F620 PolarHBondContact O-N 2.66Å; F620-Y623 PolarHBondContact O-N 2.97Å; F620-C624 WeakPolarHBondContact O-CB 3.35Å; F620-C624 PolarHBondContact O-N 2.9Å; F620-C624 PolarHBondContact O-SG 2.8Å
621	K	78.6	Confident	74.4	Confident	115 Å²	115	73.4 Å²	73.4	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-66.5	-37.9	175.5	-64.7	-60.9	-176.3	-175.5	0	113.4	A617 C618 Y619 T625	A617-K621 WeakPolarHBondContact O-CG 3.16Å; A617-K621 PolarHBondContact O-N 3.39Å; A617-K621 VanDerWaalsContact O-N 3.1Å; C618-K621 PolarHBondContact O-N 2.84Å; Y619-K621 VanDerWaalsContact C-N 3.31Å; Y619-K621 PolarHBondContact O-N 2.87Å; K621-T625 WeakPolarHBondContact O-CB 3.41Å; K621-T625 PolarHBondContact O-N 2.98Å; K621-T625 PolarHBondContact O-OG1 2.98Å
622	I	74.4	Confident	73.1	Confident	7 Å²	7	81.9 Å²	81.9	4%	0.036	41%	0.409	C	S	.	.	H	α-helix	trans	-62	-49.2	172.7	-69.6	163.2	0	0	0	110.2	W538 I541 C618 Y619 T625 V626	W538-I622 HydrophobicContact CB-CD1 3.89Å; W538-I622 HydrophobicContact CB-CG1 3.85Å; W538-I622 HydrophobicContact CG-CG1 4.28Å; I541-I622 HydrophobicContact CD1-CG2 4.05Å; C618-I622 WeakPolarHBondContact O-CG1 3.37Å; C618-I622 PolarHBondContact O-N 3.22Å; Y619-I622 HydrophobicContact CD1-CB 4.4Å; Y619-I622 HydrophobicContact CD1-CD1 3.74Å; Y619-I622 HydrophobicContact CE1-CD1 3.42Å; Y619-I622 VanDerWaalsContact CE1-CD1 3.42Å; Y619-I622 HydrophobicContact CG-CD1 4.42Å; Y619-I622 PolarHBondContact O-N 2.98Å; I622-T625 WeakPolarHBondContact O-CB 3.19Å; I622-T625 PolarHBondContact O-N 2.84Å; I622-T625 VanDerWaalsContact O-N 3.12Å; I622-V626 HydrophobicContact CG2-CG2 4.27Å; I622-V626 WeakPolarHBondContact O-CG2 3.39Å; I622-V626 PolarHBondContact O-N 3.02Å
623	Y	74.3	Confident	71.9	Confident	147 Å²	147	80.4 Å²	80.4	58%	0.576	41%	0.407	S	S	*	.	H	α-helix	trans	-58.8	-50.3	-179.9	178.5	-96.2	0	0	0	111.6	Y619 F620 T625 V626 H627	Y619-Y623 VanDerWaalsContact O-CB 3.32Å; Y619-Y623 WeakPolarHBondContact O-CB 3.46Å; Y619-Y623 PolarHBondContact O-N 2.97Å; F620-Y623 PolarHBondContact O-N 2.97Å; Y623-T625 VanDerWaalsContact C-N 3.27Å; Y623-T625 PolarHBondContact O-N 2.89Å; Y623-V626 PolarHBondContact O-N 3.06Å; Y623-H627 WeakPolarHBondContact O-CB 3.46Å; Y623-H627 PolarHBondContact O-N 3.46Å
624	C	77.4	Confident	70.8	Confident	57 Å²	57	75.8 Å²	75.8	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-32.2	175.1	-65.6	0	0	0	0	113.2	F620 N628	F620-C624 WeakPolarHBondContact O-CB 3.35Å; F620-C624 PolarHBondContact O-N 2.9Å; F620-C624 PolarHBondContact O-SG 2.8Å; C624-N628 PolarHBondContact O-N 2.88Å
625	T	72.8	Confident	69.4	Low	31 Å²	31	77.5 Å²	77.5	19%	0.19	41%	0.411	C	S	.	.	H	α-helix	trans	-69.4	-44.9	175.1	-56.8	0	0	0	0	111	I541 T542 K621 I622 Y623 N628	I541-T625 HydrophobicContact CG2-CG2 4.32Å; T542-T625 PolarHBondContact OG1-OG1 2.98Å; K621-T625 WeakPolarHBondContact O-CB 3.41Å; K621-T625 PolarHBondContact O-N 2.98Å; K621-T625 PolarHBondContact O-OG1 2.98Å; I622-T625 WeakPolarHBondContact O-CB 3.19Å; I622-T625 PolarHBondContact O-N 2.84Å; I622-T625 VanDerWaalsContact O-N 3.12Å; Y623-T625 VanDerWaalsContact C-N 3.27Å; Y623-T625 PolarHBondContact O-N 2.89Å; T625-N628 PolarHBondContact O-N 2.98Å
626	V	69.4	Low	68.3	Low	33 Å²	33	85.2 Å²	85.2	20%	0.2	45%	0.445	C	S	.	.	H	α-helix	trans	-73.6	-28.2	-176.5	173.7	0	0	0	0	112.6	I541 I622 Y623 T638 A641	I541-V626 HydrophobicContact CG2-CG2 4.36Å; I622-V626 HydrophobicContact CG2-CG2 4.27Å; I622-V626 WeakPolarHBondContact O-CG2 3.39Å; I622-V626 PolarHBondContact O-N 3.02Å; Y623-V626 PolarHBondContact O-N 3.06Å; V626-T638 HydrophobicContact CG1-CG2 3.97Å; V626-A641 HydrophobicContact CG2-CB 4.13Å
627	H	69.5	Low	67.4	Low	132 Å²	132	86 Å²	86	61%	0.611	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	4.6	178	-155.2	-60.5	0	0	0	113.5	Y623 P629	Y623-H627 WeakPolarHBondContact O-CB 3.46Å; Y623-H627 PolarHBondContact O-N 3.46Å; H627-P629 WeakPolarHBondContact O-CD 3.41Å
628	N	70	Confident	66.4	Low	79 Å²	79	86 Å²	86	42%	0.422	44%	0.439	S	S	.	.			trans	-72.5	120.9	177.4	-174.1	-24.7	0	0	0	110.2	C624 T625 Q630 Y631	C624-N628 PolarHBondContact O-N 2.88Å; T625-N628 PolarHBondContact O-N 2.98Å; N628-Q630 PolarHBondContact O-N 2.86Å; N628-Q630 VanDerWaalsContact O-N 3.15Å; N628-Q630 PolarHBondContact OD1-N 2.94Å; N628-Q630 VanDerWaalsContact OD1-N 3.08Å; N628-Y631 WeakPolarHBondContact O-CB 3.43Å; N628-Y631 PolarHBondContact O-N 2.88Å
629	P	60.1	Low	65.6	Low	120 Å²	120	89.4 Å²	89.4	78%	0.779	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.4	-175.9	26.3	-35.3	0	0	0	114.6	H627 Y631	H627-P629 WeakPolarHBondContact O-CD 3.41Å; P629-Y631 VanDerWaalsContact C-N 3.26Å
630	Q	58.8	Low	65.2	Low	183 Å²	183	91.6 Å²	91.6	86%	0.855	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.9	170.6	-66.1	-163.7	-7	0	0	113.5	N628	N628-Q630 PolarHBondContact O-N 2.86Å; N628-Q630 VanDerWaalsContact O-N 3.15Å; N628-Q630 PolarHBondContact OD1-N 2.94Å; N628-Q630 VanDerWaalsContact OD1-N 3.08Å
631	Y	58.1	Low	64.2	Low	75 Å²	75	86.1 Å²	86.1	29%	0.294	45%	0.449	S	S	.	.			trans	-102.3	94.6	178.6	-170.4	-102	0	0	0	110.1	N628 P629 S633	N628-Y631 WeakPolarHBondContact O-CB 3.43Å; N628-Y631 PolarHBondContact O-N 2.88Å; P629-Y631 VanDerWaalsContact C-N 3.26Å; Y631-S633 PolarHBondContact O-N 3.1Å
632	H	55.5	Low	63.5	Low	192 Å²	192	87.5 Å²	87.5	89%	0.889	46%	0.455	S	S	*	.			trans	-69.4	71.2	172.9	-82.1	-60.5	0	0	0	111.7	G634	H632-G634 PolarHBondContact O-N 2.87Å
633	S	52.8	Low	63.1	Low	33 Å²	33	91.1 Å²	91.1	23%	0.231	47%	0.469	C	S	.	.			trans	-61.8	128.3	175.7	-163.9	0	0	0	0	110.8	Y631	Y631-S633 PolarHBondContact O-N 3.1Å
634	G	58.5	Low	62.5	Low	36 Å²	36	85.2 Å²	85.2	37%	0.371	45%	0.447	S	S	.	.			trans	-64.2	144.6	169.1	0	0	0	0	0	110	H632 K636 D637	H632-G634 PolarHBondContact O-N 2.87Å; G634-K636 PolarHBondContact O-N 2.92Å; G634-D637 PolarHBondContact O-N 2.95Å
635	S	56.3	Low	61.8	Low	92 Å²	92	84.8 Å²	84.8	64%	0.643	45%	0.447	S	S	*	.	H	α-helix	trans	-60.5	-8.6	178.8	62.7	0	0	0	0	114.5	T638 N639	S635-T638 PolarHBondContact O-OG1 2.79Å; S635-N639 WeakPolarHBondContact O-CB 3.35Å; S635-N639 PolarHBondContact O-ND2 3.28Å
636	K	55.9	Low	61.5	Low	166 Å²	166	86 Å²	86	72%	0.722	45%	0.452	S	S	*	.	H	α-helix	trans	-76.7	-36.3	170.3	-67.8	171.8	-178.6	169.4	0	112.2	G634 N639 I640	G634-K636 PolarHBondContact O-N 2.92Å; K636-N639 CarbonylContact O-C 3.59Å; K636-N639 WeakPolarHBondContact O-CB 3.3Å; K636-N639 PolarHBondContact O-N 2.88Å; K636-I640 WeakPolarHBondContact O-CG1 3.27Å; K636-I640 PolarHBondContact O-N 3.2Å
637	D	58.1	Low	61.3	Low	76 Å²	76	85.1 Å²	85.1	41%	0.406	45%	0.446	S	S	.	.	H	α-helix	trans	-82.7	-37.1	-171.5	-54.5	-46	0	0	0	111.7	G634 N639 I640 A641	G634-D637 PolarHBondContact O-N 2.95Å; D637-N639 VanDerWaalsContact C-N 3.26Å; D637-N639 PolarHBondContact O-N 2.81Å; D637-I640 PolarHBondContact O-N 1.85Å; D637-A641 PolarHBondContact O-N 3.23Å
638	T	61.3	Low	61.1	Low	55 Å²	55	79.7 Å²	79.7	34%	0.337	42%	0.421	S	S	.	.	H	α-helix	trans	-58.6	-39.7	166	57.6	0	0	0	0	111.5	V626 S635 I640 A641 K642	V626-T638 HydrophobicContact CG1-CG2 3.97Å; S635-T638 PolarHBondContact O-OG1 2.79Å; T638-I640 VanDerWaalsContact C-N 3.3Å; T638-I640 PolarHBondContact O-N 3.46Å; T638-A641 PolarHBondContact O-N 3.4Å; T638-K642 WeakPolarHBondContact O-CB 3.25Å; T638-K642 PolarHBondContact O-N 2.74Å
639	N	63.3	Low	60.9	Low	80 Å²	80	82 Å²	82	43%	0.428	43%	0.427	S	S	.	.	H	α-helix	trans	-68.6	-22.9	174.1	-96.3	-71.6	0	0	0	114	S635 K636 D637 R643	S635-N639 WeakPolarHBondContact O-CB 3.35Å; S635-N639 PolarHBondContact O-ND2 3.28Å; K636-N639 CarbonylContact O-C 3.59Å; K636-N639 WeakPolarHBondContact O-CB 3.3Å; K636-N639 PolarHBondContact O-N 2.88Å; D637-N639 VanDerWaalsContact C-N 3.26Å; D637-N639 PolarHBondContact O-N 2.81Å; N639-R643 WeakPolarHBondContact O-CD 3.27Å; N639-R643 VanDerWaalsContact O-CG 3.27Å; N639-R643 WeakPolarHBondContact O-CG 3.26Å; N639-R643 PolarHBondContact O-NE 3.43Å
640	I	63.8	Low	61.4	Low	83 Å²	83	78.1 Å²	78.1	43%	0.426	40%	0.402	S	S	.	.	H	α-helix	trans	-80.6	-47.2	171.9	-71.3	161.5	0	0	0	109.4	K636 D637 T638 K642 R643 M644	K636-I640 WeakPolarHBondContact O-CG1 3.27Å; K636-I640 PolarHBondContact O-N 3.2Å; D637-I640 PolarHBondContact O-N 1.85Å; T638-I640 VanDerWaalsContact C-N 3.3Å; T638-I640 PolarHBondContact O-N 3.46Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 2.66Å; I640-R643 PolarHBondContact O-N 3.38Å; I640-R643 VanDerWaalsContact O-N 3.07Å; I640-M644 HydrophobicContact CG2-CG 4.44Å; I640-M644 WeakPolarHBondContact O-CG 3.45Å; I640-M644 PolarHBondContact O-N 2.84Å
641	A	58.7	Low	61.7	Low	16 Å²	16	69.8 Å²	69.8	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-57	-42.4	176.4	0	0	0	0	0	112.5	V626 D637 T638 R643 M644 A645	V626-A641 HydrophobicContact CG2-CB 4.13Å; D637-A641 PolarHBondContact O-N 3.23Å; T638-A641 PolarHBondContact O-N 3.4Å; A641-R643 VanDerWaalsContact C-N 3.31Å; A641-R643 PolarHBondContact O-N 2.94Å; A641-M644 WeakPolarHBondContact O-CB 3.44Å; A641-M644 PolarHBondContact O-N 3.24Å; A641-A645 PolarHBondContact O-N 2.93Å
642	K	64.2	Low	62	Low	144 Å²	144	69.9 Å²	69.9	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-34	175.7	-173.7	171.4	-178.3	174.6	0	113.3	T638 I640 I646	T638-K642 WeakPolarHBondContact O-CB 3.25Å; T638-K642 PolarHBondContact O-N 2.74Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 2.66Å; K642-I646 WeakPolarHBondContact O-CG1 3.42Å; K642-I646 PolarHBondContact O-N 3.11Å
643	R	66	Low	62.6	Low	84 Å²	84	64.9 Å²	64.9	32%	0.317	35%	0.345	S	S	.	.	H	α-helix	trans	-74.6	-34.2	176.2	-67.6	171.4	-150.4	-162.7	2.9	112.3	N639 I640 A641 F699	N639-R643 WeakPolarHBondContact O-CD 3.27Å; N639-R643 VanDerWaalsContact O-CG 3.27Å; N639-R643 WeakPolarHBondContact O-CG 3.26Å; N639-R643 PolarHBondContact O-NE 3.43Å; I640-R643 PolarHBondContact O-N 3.38Å; I640-R643 VanDerWaalsContact O-N 3.07Å; A641-R643 VanDerWaalsContact C-N 3.31Å; A641-R643 PolarHBondContact O-N 2.94Å; R643-F699 HydrophobicContact CB-CB 4.14Å; R643-F699 HydrophobicContact CB-CD1 4.38Å; R643-F699 HydrophobicContact CB-CG 4.33Å; R643-F699 HydrophobicContact CG-CB 4.1Å; R643-F699 HydrophobicContact CG-CD1 3.77Å; R643-F699 HydrophobicContact CG-CG 4.17Å; R643-F699 PolarHBondContact NH1-O 3.22Å
644	M	61.1	Low	63.2	Low	23 Å²	23	64.1 Å²	64.1	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-53.9	171.7	-57.6	-101.2	52.4	0	0	108.7	R537 Y619 I640 A641 I646 L647 I648	R537-M644 HydrophobicContact CB-SD 4.05Å; R537-M644 WeakPolarHBondContact CD-SD 3.07Å; R537-M644 HydrophobicContact CG-CE 4.14Å; R537-M644 HydrophobicContact CG-SD 3.45Å; R537-M644 WeakPolarHBondContact CG-SD 3.39Å; R537-M644 PolarHBondContact NE-SD 3.01Å; Y619-M644 HydrophobicContact CE1-CB 4.24Å; I640-M644 HydrophobicContact CG2-CG 4.44Å; I640-M644 WeakPolarHBondContact O-CG 3.45Å; I640-M644 PolarHBondContact O-N 2.84Å; A641-M644 WeakPolarHBondContact O-CB 3.44Å; A641-M644 PolarHBondContact O-N 3.24Å; M644-I646 VanDerWaalsContact C-N 3.26Å; M644-I646 PolarHBondContact O-N 3.08Å; M644-I646 VanDerWaalsContact O-N 3.14Å; M644-L647 WeakPolarHBondContact O-CB 3.37Å; M644-L647 PolarHBondContact O-N 3.12Å; M644-I648 VanDerWaalsContact C-CD1 3.45Å; M644-I648 WeakPolarHBondContact O-CD1 3.46Å; M644-I648 PolarHBondContact O-N 3.18Å
645	A	63.3	Low	63.6	Low	47 Å²	47	64.1 Å²	64.1	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-49.8	-40.1	-180	0	0	0	0	0	114.1	A641 L647 I648 F649	A641-A645 PolarHBondContact O-N 2.93Å; A645-L647 PolarHBondContact O-N 3.34Å; A645-I648 PolarHBondContact O-N 2.99Å; A645-F649 WeakPolarHBondContact O-CB 3.26Å; A645-F649 PolarHBondContact O-N 3.17Å
646	I	67	Low	64	Low	57 Å²	57	61.3 Å²	61.3	29%	0.292	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-38.7	177.2	-68	164.5	0	0	0	112.1	K642 M644 I648 F649 T650 F699	K642-I646 WeakPolarHBondContact O-CG1 3.42Å; K642-I646 PolarHBondContact O-N 3.11Å; M644-I646 VanDerWaalsContact C-N 3.26Å; M644-I646 PolarHBondContact O-N 3.08Å; M644-I646 VanDerWaalsContact O-N 3.14Å; I646-I648 VanDerWaalsContact C-N 3.34Å; I646-I648 PolarHBondContact O-N 3.02Å; I646-F649 PolarHBondContact O-N 2.86Å; I646-T650 PolarHBondContact O-N 3.24Å; I646-T650 PolarHBondContact O-OG1 3.34Å; I646-F699 HydrophobicContact CD1-CE1 4.16Å; I646-F699 HydrophobicContact CD1-CZ 4.02Å; I646-F699 HydrophobicContact CG2-CE2 3.89Å; I646-F699 HydrophobicContact CG2-CZ 4.04Å
647	L	64.4	Low	64.5	Low	15 Å²	15	55 Å²	55	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-30.8	-178.5	-174.2	144.1	0	0	0	112.5	L530 M644 A645 T650 D651 L695 Y696	L530-L647 HydrophobicContact CD1-CD2 3.81Å; M644-L647 WeakPolarHBondContact O-CB 3.37Å; M644-L647 PolarHBondContact O-N 3.12Å; A645-L647 PolarHBondContact O-N 3.34Å; L647-T650 WeakPolarHBondContact CA-OG1 3.49Å; L647-T650 PolarHBondContact O-OG1 3.44Å; L647-D651 PolarHBondContact O-N 3.33Å; L647-L695 HydrophobicContact CB-CD1 4.44Å; L647-L695 HydrophobicContact CD1-CB 4.2Å; L647-L695 HydrophobicContact CD1-CD1 4.23Å; L647-L695 HydrophobicContact CG-CD1 4.04Å; L647-Y696 HydrophobicContact CD1-CD1 4.27Å; L647-Y696 HydrophobicContact CD1-CE1 3.65Å
648	I	65.1	Low	64.8	Low	18 Å²	18	53.2 Å²	53.2	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-84.9	-30.8	173.8	-37.8	102.1	0	0	0	111.7	T534 I615 Y619 M644 A645 I646 T650 D651 F652	T534-I648 HydrophobicContact CG2-CG1 4.48Å; I615-I648 HydrophobicContact CG2-CG2 3.34Å; Y619-I648 HydrophobicContact CD1-CD1 3.75Å; Y619-I648 HydrophobicContact CD2-CD1 3.73Å; Y619-I648 HydrophobicContact CD2-CG1 3.9Å; Y619-I648 HydrophobicContact CD2-CG2 4.46Å; Y619-I648 HydrophobicContact CE1-CD1 3.34Å; Y619-I648 HydrophobicContact CE1-CG1 4.31Å; Y619-I648 HydrophobicContact CE2-CB 4.43Å; Y619-I648 HydrophobicContact CE2-CD1 3.33Å; Y619-I648 HydrophobicContact CE2-CG1 3.37Å; Y619-I648 HydrophobicContact CE2-CG2 4.49Å; Y619-I648 HydrophobicContact CG-CD1 3.95Å; M644-I648 VanDerWaalsContact C-CD1 3.45Å; M644-I648 WeakPolarHBondContact O-CD1 3.46Å; M644-I648 PolarHBondContact O-N 3.18Å; A645-I648 PolarHBondContact O-N 2.99Å; I646-I648 VanDerWaalsContact C-N 3.34Å; I646-I648 PolarHBondContact O-N 3.02Å; I648-T650 VanDerWaalsContact C-N 3.27Å; I648-T650 PolarHBondContact O-N 2.87Å; I648-D651 PolarHBondContact O-N 3.13Å; I648-F652 VanDerWaalsContact O-CB 3.24Å; I648-F652 WeakPolarHBondContact O-CB 3.27Å; I648-F652 PolarHBondContact O-N 3.31Å
649	F	67.4	Low	64.9	Low	126 Å²	126	52.1 Å²	52.1	55%	0.553	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-36.6	174.7	-176.4	-108.5	0	0	0	111.4	A645 I646 L653	A645-F649 WeakPolarHBondContact O-CB 3.26Å; A645-F649 PolarHBondContact O-N 3.17Å; I646-F649 PolarHBondContact O-N 2.86Å; F649-L653 HydrophobicContact CD1-CD1 3.99Å; F649-L653 HydrophobicContact CE1-CD1 3.49Å; F649-L653 VanDerWaalsContact CE1-CD1 3.49Å; F649-L653 HydrophobicContact CE1-CG 4.28Å; F649-L653 HydrophobicContact CE2-CD1 4.48Å; F649-L653 HydrophobicContact CE2-CG 4.45Å; F649-L653 HydrophobicContact CZ-CD1 3.77Å; F649-L653 HydrophobicContact CZ-CD2 4.4Å; F649-L653 HydrophobicContact CZ-CG 4.19Å; F649-L653 WeakPolarHBondContact O-CB 3.34Å; F649-L653 VanDerWaalsContact O-CG 3.3Å; F649-L653 WeakPolarHBondContact O-CG 3.24Å; F649-L653 PolarHBondContact O-N 3Å
650	T	69.1	Low	65.1	Low	39 Å²	39	54 Å²	54	24%	0.239	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-43.5	172.8	39.3	0	0	0	0	112.5	I646 L647 I648 L653 C654 L695	I646-T650 PolarHBondContact O-N 3.24Å; I646-T650 PolarHBondContact O-OG1 3.34Å; L647-T650 WeakPolarHBondContact CA-OG1 3.49Å; L647-T650 PolarHBondContact O-OG1 3.44Å; I648-T650 VanDerWaalsContact C-N 3.27Å; I648-T650 PolarHBondContact O-N 2.87Å; T650-L653 PolarHBondContact O-N 2.8Å; T650-C654 PolarHBondContact O-N 2.98Å; T650-C654 PolarHBondContact O-SG 3.41Å; T650-L695 WeakPolarHBondContact OG1-CD1 3.45Å
651	D	64.9	Low	65.1	Low	8 Å²	8	51.9 Å²	51.9	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-50.4	171.8	175.2	80	0	0	0	112.4	L530 L647 I648 L653 C654 M655 N688	L530-D651 HydrophobicContact CD2-CB 3.98Å; L530-D651 WeakPolarHBondContact CD2-OD1 3.29Å; L530-D651 VanDerWaalsContact CD2-OD2 3.31Å; L530-D651 WeakPolarHBondContact CD2-OD2 3.5Å; L647-D651 PolarHBondContact O-N 3.33Å; I648-D651 PolarHBondContact O-N 3.13Å; D651-L653 VanDerWaalsContact C-N 3.35Å; D651-L653 PolarHBondContact O-N 3.26Å; D651-C654 CarbonylContact O-C 3.49Å; D651-C654 WeakPolarHBondContact O-CA 3.07Å; D651-C654 WeakPolarHBondContact O-CB 3.09Å; D651-C654 PolarHBondContact O-N 3.26Å; D651-M655 WeakPolarHBondContact O-CB 3.46Å; D651-M655 WeakPolarHBondContact O-CG 3.46Å; D651-M655 PolarHBondContact O-N 3.19Å; D651-N688 PolarHBondContact OD1-ND2 3.25Å
652	F	65.6	Low	65.2	Low	77 Å²	77	52.5 Å²	52.5	34%	0.338	27%	0.269	S	S	.	.	H	α-helix	trans	-56.6	-43.8	176.9	168.6	-114.1	0	0	0	112.7	F612 I648 C654 M655 A656	F612-F652 HydrophobicContact CD2-CD2 4.28Å; F612-F652 AromaticContact CE2-CD2 3.34Å; F612-F652 HydrophobicContact CE2-CD2 3.34Å; F612-F652 AromaticContact CE2-CE2 3.81Å; F612-F652 HydrophobicContact CE2-CE2 3.81Å; F612-F652 HydrophobicContact CE2-CG 4.27Å; F612-F652 AromaticContact CZ-CD2 3.72Å; F612-F652 HydrophobicContact CZ-CD2 3.72Å; F612-F652 AromaticContact CZ-CE2 3.66Å; F612-F652 HydrophobicContact CZ-CE2 3.66Å; I648-F652 VanDerWaalsContact O-CB 3.24Å; I648-F652 WeakPolarHBondContact O-CB 3.27Å; I648-F652 PolarHBondContact O-N 3.31Å; F652-C654 PolarHBondContact O-N 3.19Å; F652-M655 PolarHBondContact O-N 3.06Å; F652-A656 HydrophobicContact CD2-CB 4.09Å; F652-A656 HydrophobicContact CE2-CB 3.76Å; F652-A656 HydrophobicContact CZ-CB 4.16Å; F652-A656 WeakPolarHBondContact O-CB 3.48Å; F652-A656 PolarHBondContact O-N 3.01Å
653	L	67.5	Low	65.1	Low	88 Å²	88	50.1 Å²	50.1	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-26.6	176.5	-74.8	177.6	0	0	0	113.1	F649 T650 D651 P657	F649-L653 HydrophobicContact CD1-CD1 3.99Å; F649-L653 HydrophobicContact CE1-CD1 3.49Å; F649-L653 VanDerWaalsContact CE1-CD1 3.49Å; F649-L653 HydrophobicContact CE1-CG 4.28Å; F649-L653 HydrophobicContact CE2-CD1 4.48Å; F649-L653 HydrophobicContact CE2-CG 4.45Å; F649-L653 HydrophobicContact CZ-CD1 3.77Å; F649-L653 HydrophobicContact CZ-CD2 4.4Å; F649-L653 HydrophobicContact CZ-CG 4.19Å; F649-L653 WeakPolarHBondContact O-CB 3.34Å; F649-L653 VanDerWaalsContact O-CG 3.3Å; F649-L653 WeakPolarHBondContact O-CG 3.24Å; F649-L653 PolarHBondContact O-N 3Å; T650-L653 PolarHBondContact O-N 2.8Å; D651-L653 VanDerWaalsContact C-N 3.35Å; D651-L653 PolarHBondContact O-N 3.26Å; L653-P657 WeakPolarHBondContact O-CD 3.24Å
654	C	66.7	Low	65.1	Low	16 Å²	16	46.5 Å²	46.5	11%	0.108	25%	0.249	C	C	.	.	H	α-helix	trans	-80.7	-38.9	172.3	-58.8	0	0	0	0	111.9	T650 D651 F652 I658 N688	T650-C654 PolarHBondContact O-N 2.98Å; T650-C654 PolarHBondContact O-SG 3.41Å; D651-C654 CarbonylContact O-C 3.49Å; D651-C654 WeakPolarHBondContact O-CA 3.07Å; D651-C654 WeakPolarHBondContact O-CB 3.09Å; D651-C654 PolarHBondContact O-N 3.26Å; F652-C654 PolarHBondContact O-N 3.19Å; C654-I658 WeakPolarHBondContact O-CD1 3.38Å; C654-N688 HydrophobicContact CB-CB 4.01Å
655	M	65.1	Low	65.1	Low	37 Å²	37	47.2 Å²	47.2	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-83.1	-29.2	-173.4	-69	-64.1	174.7	0	0	114.5	V527 D651 F652 I658 S659	V527-M655 HydrophobicContact CG2-CE 3.64Å; V527-M655 HydrophobicContact CG2-SD 4.35Å; D651-M655 WeakPolarHBondContact O-CB 3.46Å; D651-M655 WeakPolarHBondContact O-CG 3.46Å; D651-M655 PolarHBondContact O-N 3.19Å; F652-M655 PolarHBondContact O-N 3.06Å; M655-I658 PolarHBondContact O-N 3.39Å; M655-I658 HydrophobicContact SD-CD1 4.16Å; M655-S659 WeakPolarHBondContact O-CB 3.41Å; M655-S659 PolarHBondContact O-N 3.48Å; M655-S659 PolarHBondContact O-OG 3.11Å
656	A	65.2	Low	64.8	Low	32 Å²	32	47.8 Å²	47.8	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-44.1	-177.1	0	0	0	0	0	114.3	F652 I658 S659 F660	F652-A656 HydrophobicContact CD2-CB 4.09Å; F652-A656 HydrophobicContact CE2-CB 3.76Å; F652-A656 HydrophobicContact CZ-CB 4.16Å; F652-A656 WeakPolarHBondContact O-CB 3.48Å; F652-A656 PolarHBondContact O-N 3.01Å; A656-I658 VanDerWaalsContact C-N 3.3Å; A656-I658 PolarHBondContact O-N 3.11Å; A656-S659 PolarHBondContact O-N 3.03Å; A656-F660 WeakPolarHBondContact O-CB 3.27Å; A656-F660 PolarHBondContact O-N 3.11Å
657	P	65.6	Low	64.8	Low	33 Å²	33	51 Å²	51	21%	0.214	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-37	177.1	-22.4	34	0	0	0	112.9	L653 Y661 L680 F684	L653-P657 WeakPolarHBondContact O-CD 3.24Å; P657-Y661 WeakPolarHBondContact O-CB 3.46Å; P657-Y661 PolarHBondContact O-N 2.81Å; P657-L680 HydrophobicContact CB-CD2 4.13Å; P657-F684 HydrophobicContact CG-CD1 4.28Å
658	I	64.6	Low	64.7	Low	40 Å²	40	56.9 Å²	56.9	21%	0.205	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-48.2	179.7	-55.4	158.6	0	0	0	109.6	C654 M655 A656 F660 Y661 A662 Y685	C654-I658 WeakPolarHBondContact O-CD1 3.38Å; M655-I658 PolarHBondContact O-N 3.39Å; M655-I658 HydrophobicContact SD-CD1 4.16Å; A656-I658 VanDerWaalsContact C-N 3.3Å; A656-I658 PolarHBondContact O-N 3.11Å; I658-F660 VanDerWaalsContact C-N 3.34Å; I658-F660 PolarHBondContact O-N 3.41Å; I658-Y661 PolarHBondContact O-N 2.98Å; I658-A662 WeakPolarHBondContact O-CB 3.35Å; I658-A662 PolarHBondContact O-N 2.8Å; I658-Y685 HydrophobicContact CD1-CD2 3.67Å; I658-Y685 HydrophobicContact CD1-CG 4.31Å; I658-Y685 HydrophobicContact CG1-CD2 4.17Å; I658-Y685 HydrophobicContact CG2-CD2 4.2Å; I658-Y685 HydrophobicContact CG2-CE2 4.39Å
659	S	64.4	Low	64.4	Low	32 Å²	32	65.2 Å²	65.2	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-41.1	178.9	-56.8	0	0	0	0	111.8	M655 A656 M663	M655-S659 WeakPolarHBondContact O-CB 3.41Å; M655-S659 PolarHBondContact O-N 3.48Å; M655-S659 PolarHBondContact O-OG 3.11Å; A656-S659 PolarHBondContact O-N 3.03Å; S659-M663 VanDerWaalsContact O-CB 3.31Å; S659-M663 WeakPolarHBondContact O-CB 3.46Å; S659-M663 PolarHBondContact O-N 2.92Å
660	F	68.1	Low	63.9	Low	118 Å²	118	63.2 Å²	63.2	52%	0.518	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-47.1	175.2	179.2	-98.4	0	0	0	112.3	A656 I658 M663 S664 L671	A656-F660 WeakPolarHBondContact O-CB 3.27Å; A656-F660 PolarHBondContact O-N 3.11Å; I658-F660 VanDerWaalsContact C-N 3.34Å; I658-F660 PolarHBondContact O-N 3.41Å; F660-M663 PolarHBondContact O-N 2.74Å; F660-S664 WeakPolarHBondContact O-CB 3.49Å; F660-S664 PolarHBondContact O-N 3.48Å; F660-L671 HydrophobicContact CE1-CD1 4.13Å; F660-L671 HydrophobicContact CZ-CD1 3.86Å
661	Y	63.1	Low	62.9	Low	39 Å²	39	66.9 Å²	66.9	15%	0.153	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-44.3	178.9	-178.6	-108.1	0	0	0	112.3	P657 I658 M663 S664 A665 I672 S677	P657-Y661 WeakPolarHBondContact O-CB 3.46Å; P657-Y661 PolarHBondContact O-N 2.81Å; I658-Y661 PolarHBondContact O-N 2.98Å; Y661-M663 VanDerWaalsContact C-N 3.32Å; Y661-M663 PolarHBondContact O-N 2.84Å; Y661-S664 WeakPolarHBondContact O-CB 3.42Å; Y661-S664 PolarHBondContact O-N 2.79Å; Y661-S664 VanDerWaalsContact O-N 3.16Å; Y661-A665 PolarHBondContact O-N 3.3Å; Y661-I672 HydrophobicContact CD2-CB 4.46Å; Y661-I672 HydrophobicContact CE2-CB 4.15Å; Y661-S677 WeakPolarHBondContact OH-CB 3.13Å; Y661-S677 PolarHBondContact OH-OG 2.77Å
662	A	60.9	Low	62.3	Low	29 Å²	29	69.4 Å²	69.4	24%	0.24	37%	0.372	C	S	.	.	H	α-helix	trans	-65.7	-34.2	178.6	0	0	0	0	0	112.4	L605 I658 A665 A666	L605-A662 HydrophobicContact CD1-CB 3.47Å; L605-A662 VanDerWaalsContact CD1-CB 3.47Å; L605-A662 HydrophobicContact CD2-CB 3.84Å; L605-A662 HydrophobicContact CG-CB 4.24Å; I658-A662 WeakPolarHBondContact O-CB 3.35Å; I658-A662 PolarHBondContact O-N 2.8Å; A662-A665 PolarHBondContact O-N 2.82Å; A662-A666 WeakPolarHBondContact O-CB 3.42Å; A662-A666 PolarHBondContact O-N 2.67Å
663	M	61.7	Low	61.8	Low	94 Å²	94	69.2 Å²	69.2	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-68.7	-38.7	170.8	-177.5	167.4	55.6	0	0	112.6	S659 F660 Y661 A665 A666 L667	S659-M663 VanDerWaalsContact O-CB 3.31Å; S659-M663 WeakPolarHBondContact O-CB 3.46Å; S659-M663 PolarHBondContact O-N 2.92Å; F660-M663 PolarHBondContact O-N 2.74Å; Y661-M663 VanDerWaalsContact C-N 3.32Å; Y661-M663 PolarHBondContact O-N 2.84Å; M663-A665 VanDerWaalsContact C-N 3.34Å; M663-A666 PolarHBondContact O-N 3.49Å; M663-L667 HydrophobicContact CG-CD1 4.18Å; M663-L667 WeakPolarHBondContact O-CG 3.41Å; M663-L667 PolarHBondContact O-N 2.92Å; M663-L667 VanDerWaalsContact O-N 3.09Å
664	S	65.8	Low	61.3	Low	9 Å²	9	66 Å²	66	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-40.9	172.3	159.2	0	0	0	0	112	F660 Y661 L667 R669 L671	F660-S664 WeakPolarHBondContact O-CB 3.49Å; F660-S664 PolarHBondContact O-N 3.48Å; Y661-S664 WeakPolarHBondContact O-CB 3.42Å; Y661-S664 PolarHBondContact O-N 2.79Å; Y661-S664 VanDerWaalsContact O-N 3.16Å; S664-L667 PolarHBondContact O-N 3.3Å; S664-R669 CarbonylContact O-C 3.38Å; S664-R669 PolarHBondContact O-N 3.21Å; S664-R669 VanDerWaalsContact O-O 3.09Å; S664-R669 PolarHBondContact OG-O 2.95Å; S664-L671 PolarHBondContact OG-N 3.18Å; S664-L671 VanDerWaalsContact OG-N 3.08Å
665	A	60.8	Low	60.8	Low	38 Å²	38	66.3 Å²	66.3	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-46	173	0	0	0	0	0	112.2	Y661 A662 M663 L667 N668	Y661-A665 PolarHBondContact O-N 3.3Å; A662-A665 PolarHBondContact O-N 2.82Å; M663-A665 VanDerWaalsContact C-N 3.34Å; A665-L667 PolarHBondContact O-N 2.92Å; A665-N668 PolarHBondContact O-N 2.69Å
666	A	58.4	Low	60.6	Low	58 Å²	58	68.1 Å²	68.1	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-23.6	178.7	0	0	0	0	0	114	L605 A662 M663 N668	L605-A666 HydrophobicContact CD2-CB 4.34Å; A662-A666 WeakPolarHBondContact O-CB 3.42Å; A662-A666 PolarHBondContact O-N 2.67Å; M663-A666 PolarHBondContact O-N 3.49Å; A666-N668 VanDerWaalsContact C-N 3.31Å
667	L	66.1	Low	60.5	Low	124 Å²	124	67.1 Å²	67.1	65%	0.649	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	10.3	175.3	-68.5	170.5	0	0	0	113.7	M663 S664 A665 R669	M663-L667 HydrophobicContact CG-CD1 4.18Å; M663-L667 WeakPolarHBondContact O-CG 3.41Å; M663-L667 PolarHBondContact O-N 2.92Å; M663-L667 VanDerWaalsContact O-N 3.09Å; S664-L667 PolarHBondContact O-N 3.3Å; A665-L667 PolarHBondContact O-N 2.92Å; L667-R669 PolarHBondContact O-N 3.21Å; L667-R669 VanDerWaalsContact O-N 3.17Å
668	N	62.5	Low	60.4	Low	139 Å²	139	66.2 Å²	66.2	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	31.3	-176.5	-64.6	-33.9	0	0	0	113.7	A665 A666	A665-N668 PolarHBondContact O-N 2.69Å; A666-N668 VanDerWaalsContact C-N 3.31Å
669	R	59.7	Low	60.5	Low	194 Å²	194	66.6 Å²	66.6	73%	0.732	36%	0.36	S	S	*	.			trans	-134.5	78.3	174.5	-70.1	-168.4	179.6	-155	0.6	109.5	S664 L667 L671	S664-R669 CarbonylContact O-C 3.38Å; S664-R669 PolarHBondContact O-N 3.21Å; S664-R669 VanDerWaalsContact O-O 3.09Å; S664-R669 PolarHBondContact OG-O 2.95Å; L667-R669 PolarHBondContact O-N 3.21Å; L667-R669 VanDerWaalsContact O-N 3.17Å; R669-L671 PolarHBondContact O-N 3.05Å
670	P	56.8	Low	60.5	Low	83 Å²	83	66.9 Å²	66.9	54%	0.539	36%	0.358	S	S	.	.			trans	-64	106.9	174.9	27.1	-33.4	0	0	0	109.6	I672	P670-I672 PolarHBondContact O-N 3.06Å
671	L	47.9	Very low	60.3	Low	117 Å²	117	63.3 Å²	63.3	61%	0.613	34%	0.344	S	S	*	.	S	Bend	trans	-76.6	-9.3	-177.8	-67.2	172.1	0	0	0	113.2	F660 S664 R669	F660-L671 HydrophobicContact CE1-CD1 4.13Å; F660-L671 HydrophobicContact CZ-CD1 3.86Å; S664-L671 PolarHBondContact OG-N 3.18Å; S664-L671 VanDerWaalsContact OG-N 3.08Å; R669-L671 PolarHBondContact O-N 3.05Å
672	I	52.5	Low	60.4	Low	61 Å²	61	61.6 Å²	61.6	31%	0.313	34%	0.338	S	S	.	.	S	Bend	trans	-141.5	128.8	-176.5	-58.2	178.4	0	0	0	107.9	Y661 P670 N676 L680	Y661-I672 HydrophobicContact CD2-CB 4.46Å; Y661-I672 HydrophobicContact CE2-CB 4.15Å; P670-I672 PolarHBondContact O-N 3.06Å; I672-N676 HydrophobicContact CG2-CB 3.47Å; I672-N676 VanDerWaalsContact CG2-CB 3.47Å; I672-L680 HydrophobicContact CD1-CD1 4.17Å
673	T	55.3	Low	60.7	Low	73 Å²	73	62 Å²	62	45%	0.448	34%	0.336	S	S	.	.			trans	-60.9	150.5	176.1	53.8	0	0	0	0	111.9	S675 N676 S677	T673-S675 VanDerWaalsContact C-N 3.3Å; T673-S675 PolarHBondContact O-N 3.03Å; T673-N676 PolarHBondContact O-N 3.31Å; T673-N676 PolarHBondContact OG1-ND2 3.46Å; T673-N676 VanDerWaalsContact OG1-ND2 3.07Å; T673-S677 PolarHBondContact O-N 2.88Å
674	V	56.9	Low	61	Low	21 Å²	21	61.2 Å²	61.2	13%	0.127	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-37.4	-174.1	-178.9	0	0	0	0	113	E422 F423 N676 S677 K678	E422-V674 HydrophobicContact CB-CG2 4.08Å; E422-V674 VanDerWaalsContact O-CB 3.26Å; E422-V674 WeakPolarHBondContact O-CB 3.12Å; E422-V674 WeakPolarHBondContact O-CG1 3.26Å; F423-V674 HydrophobicContact CD1-CG2 4.36Å; F423-V674 HydrophobicContact CE1-CG2 4.39Å; V674-N676 VanDerWaalsContact C-N 3.27Å; V674-N676 PolarHBondContact O-N 2.79Å; V674-S677 PolarHBondContact O-N 2.82Å; V674-S677 PolarHBondContact O-OG 3.16Å; V674-S677 VanDerWaalsContact O-OG 3.1Å; V674-K678 PolarHBondContact O-N 3.11Å
675	S	56.2	Low	61.2	Low	21 Å²	21	62.7 Å²	62.7	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-34.1	173.5	-65.6	0	0	0	0	113.6	P425 E427 T673 K678	P425-S675 WeakPolarHBondContact CG-OG 3.45Å; E427-S675 VanDerWaalsContact OE1-CB 3.24Å; E427-S675 WeakPolarHBondContact OE1-CB 3.33Å; E427-S675 PolarHBondContact OE1-OG 2.77Å; T673-S675 VanDerWaalsContact C-N 3.3Å; T673-S675 PolarHBondContact O-N 3.03Å; S675-K678 WeakPolarHBondContact O-CB 3.49Å; S675-K678 WeakPolarHBondContact O-CG 3.44Å
676	N	60.4	Low	61.7	Low	76 Å²	76	61 Å²	61	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-84.5	-30.7	179.6	-74.8	-36.5	0	0	0	112.2	I672 T673 V674 K678 I679	I672-N676 HydrophobicContact CG2-CB 3.47Å; I672-N676 VanDerWaalsContact CG2-CB 3.47Å; T673-N676 PolarHBondContact O-N 3.31Å; T673-N676 PolarHBondContact OG1-ND2 3.46Å; T673-N676 VanDerWaalsContact OG1-ND2 3.07Å; V674-N676 VanDerWaalsContact C-N 3.27Å; V674-N676 PolarHBondContact O-N 2.79Å; N676-K678 PolarHBondContact O-N 2.69Å; N676-I679 WeakPolarHBondContact O-CB 3.35Å; N676-I679 PolarHBondContact O-N 3.16Å
677	S	61.8	Low	62.3	Low	11 Å²	11	61.6 Å²	61.6	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-18.9	173.4	69.6	0	0	0	0	113	Y661 T673 V674 I679 L680 L681	Y661-S677 WeakPolarHBondContact OH-CB 3.13Å; Y661-S677 PolarHBondContact OH-OG 2.77Å; T673-S677 PolarHBondContact O-N 2.88Å; V674-S677 PolarHBondContact O-N 2.82Å; V674-S677 PolarHBondContact O-OG 3.16Å; V674-S677 VanDerWaalsContact O-OG 3.1Å; S677-I679 PolarHBondContact O-N 3.01Å; S677-L680 PolarHBondContact O-N 3.14Å; S677-L680 VanDerWaalsContact O-N 3.14Å; S677-L681 PolarHBondContact O-N 3.5Å
678	K	65	Low	62.6	Low	13 Å²	13	56 Å²	56	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-49.2	-39.7	163.4	-63.2	-178.7	-178.3	-178.5	0	112	E427 I429 I586 V674 S675 N676 L680 L681 V682	E427-K678 IonicContact OE2-NZ 3.81Å; E427-K678 PolarHBondContact OE2-NZ 3.37Å; I429-K678 PolarHBondContact O-NZ 3.35Å; I586-K678 HydrophobicContact CD1-CG 4.26Å; V674-K678 PolarHBondContact O-N 3.11Å; S675-K678 WeakPolarHBondContact O-CB 3.49Å; S675-K678 WeakPolarHBondContact O-CG 3.44Å; N676-K678 PolarHBondContact O-N 2.69Å; K678-L680 PolarHBondContact O-N 3.06Å; K678-L681 PolarHBondContact O-N 2.83Å; K678-V682 WeakPolarHBondContact O-CB 3.48Å; K678-V682 WeakPolarHBondContact O-CG2 3.41Å; K678-V682 PolarHBondContact O-N 2.95Å
679	I	67.1	Low	63.3	Low	48 Å²	48	49.6 Å²	49.6	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-43.7	-178.4	-58.3	171	0	0	0	110.7	F432 L435 N676 S677 L683	F432-I679 HydrophobicContact CE2-CD1 4.39Å; F432-I679 HydrophobicContact CE2-CG1 4.39Å; L435-I679 HydrophobicContact CD1-CG1 4.25Å; N676-I679 WeakPolarHBondContact O-CB 3.35Å; N676-I679 PolarHBondContact O-N 3.16Å; S677-I679 PolarHBondContact O-N 3.01Å; I679-L683 HydrophobicContact CG2-CD1 4.07Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 PolarHBondContact O-N 2.87Å; I679-L683 VanDerWaalsContact O-N 3.1Å
680	L	63.9	Low	64.1	Low	38 Å²	38	40.9 Å²	40.9	20%	0.199	22%	0.221	C	C	.	.	I	π-helix	trans	-63.2	-44.4	174.7	-60.8	178.6	0	0	0	111.1	P657 I672 S677 K678 F684 Y685	P657-L680 HydrophobicContact CB-CD2 4.13Å; I672-L680 HydrophobicContact CD1-CD1 4.17Å; S677-L680 PolarHBondContact O-N 3.14Å; S677-L680 VanDerWaalsContact O-N 3.14Å; K678-L680 PolarHBondContact O-N 3.06Å; L680-F684 HydrophobicContact CD2-CD2 4.12Å; L680-F684 HydrophobicContact CD2-CE2 4.38Å; L680-F684 WeakPolarHBondContact O-CA 3.45Å; L680-F684 WeakPolarHBondContact O-CB 3.45Å; L680-F684 PolarHBondContact O-N 3.35Å; L680-Y685 PolarHBondContact O-N 3.07Å
681	L	64	Low	65	Low	43 Å²	43	38.2 Å²	38.2	23%	0.225	21%	0.206	C	C	.	.	I	π-helix	trans	-79	-21.7	-172.7	-159.7	132	0	0	0	114.2	I586 L588 S677 K678 Y685	I586-L681 HydrophobicContact CG2-CD2 3.82Å; L588-L681 HydrophobicContact CD1-CD1 3.28Å; L588-L681 HydrophobicContact CD1-CD2 3.45Å; L588-L681 VanDerWaalsContact CD1-CD2 3.45Å; L588-L681 HydrophobicContact CD1-CG 3.93Å; S677-L681 PolarHBondContact O-N 3.5Å; K678-L681 PolarHBondContact O-N 2.83Å; L681-Y685 VanDerWaalsContact O-CB 3.24Å; L681-Y685 WeakPolarHBondContact O-CB 3.45Å
682	V	65.1	Low	66.2	Low	4 Å²	4	32.7 Å²	32.7	2%	0.024	18%	0.177	C	C	.	.	I	π-helix	trans	-95.9	-31	-179.7	174	0	0	0	0	111.9	M430 L435 V439 I586 K678	M430-V682 HydrophobicContact CE-CG1 4.25Å; M430-V682 HydrophobicContact CE-CG2 4.2Å; M430-V682 HydrophobicContact SD-CB 4.41Å; M430-V682 HydrophobicContact SD-CG1 3.65Å; M430-V682 HydrophobicContact SD-CG2 3.77Å; L435-V682 HydrophobicContact CB-CG1 4.32Å; L435-V682 HydrophobicContact CD1-CB 4.45Å; L435-V682 HydrophobicContact CD1-CG1 4.45Å; L435-V682 HydrophobicContact CD2-CB 4.39Å; L435-V682 HydrophobicContact CD2-CG1 4.09Å; V439-V682 HydrophobicContact CG2-CG1 3.13Å; I586-V682 HydrophobicContact CD1-CG2 4.25Å; K678-V682 WeakPolarHBondContact O-CB 3.48Å; K678-V682 WeakPolarHBondContact O-CG2 3.41Å; K678-V682 PolarHBondContact O-N 2.95Å
683	L	66.8	Low	67.3	Low	38 Å²	38	30.2 Å²	30.2	20%	0.199	17%	0.165	C	C	.	.	I	π-helix	trans	-100.8	-52.4	178.3	-61.6	177.7	0	0	0	113.5	F434 L435 I679 P686 L687	F434-L683 HydrophobicContact CE2-CD1 4.42Å; L435-L683 HydrophobicContact CD2-CD1 3.82Å; L435-L683 HydrophobicContact CD2-CD2 4Å; L435-L683 HydrophobicContact CD2-CG 3.68Å; I679-L683 HydrophobicContact CG2-CD1 4.07Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 PolarHBondContact O-N 2.87Å; I679-L683 VanDerWaalsContact O-N 3.1Å; L683-P686 WeakPolarHBondContact O-CD 3.4Å; L683-L687 VanDerWaalsContact O-CB 3.31Å; L683-L687 WeakPolarHBondContact O-CB 3.49Å; L683-L687 WeakPolarHBondContact O-CD1 3.34Å; L683-L687 WeakPolarHBondContact O-CG 3.44Å; L683-L687 PolarHBondContact O-N 3.21Å
684	F	68.9	Low	67.9	Low	77 Å²	77	31.3 Å²	31.3	34%	0.338	16%	0.163	S	C	.	.	I	π-helix	trans	-81.8	-38.8	-170.8	-68.5	-97.9	0	0	0	112.8	P657 L680 L687	P657-F684 HydrophobicContact CG-CD1 4.28Å; L680-F684 HydrophobicContact CD2-CD2 4.12Å; L680-F684 HydrophobicContact CD2-CE2 4.38Å; L680-F684 WeakPolarHBondContact O-CA 3.45Å; L680-F684 WeakPolarHBondContact O-CB 3.45Å; L680-F684 PolarHBondContact O-N 3.35Å; F684-L687 PolarHBondContact O-N 3.1Å
685	Y	69	Low	68.5	Low	40 Å²	40	31.1 Å²	31.1	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-44.2	176.6	-162.9	-96.3	0	0	0	113.6	M481 S523 I658 L680 L681	M481-Y685 HydrophobicContact CE-CD1 3.7Å; M481-Y685 HydrophobicContact CE-CE1 3.58Å; M481-Y685 HydrophobicContact SD-CE1 4.39Å; S523-Y685 WeakPolarHBondContact CB-OH 3.49Å; S523-Y685 PolarHBondContact OG-OH 2.88Å; I658-Y685 HydrophobicContact CD1-CD2 3.67Å; I658-Y685 HydrophobicContact CD1-CG 4.31Å; I658-Y685 HydrophobicContact CG1-CD2 4.17Å; I658-Y685 HydrophobicContact CG2-CD2 4.2Å; I658-Y685 HydrophobicContact CG2-CE2 4.39Å; L680-Y685 PolarHBondContact O-N 3.07Å; L681-Y685 VanDerWaalsContact O-CB 3.24Å; L681-Y685 WeakPolarHBondContact O-CB 3.45Å
686	P	70.6	Confident	68.9	Low	2 Å²	2	30.8 Å²	30.8	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-99	-5.6	-177.8	-1.2	24.6	0	0	0	114.4	V442 L485 L683 N688 S689 C690	V442-P686 HydrophobicContact CG1-CB 4.36Å; L485-P686 HydrophobicContact CD1-CB 3.56Å; L485-P686 HydrophobicContact CD1-CG 3.84Å; L485-P686 HydrophobicContact CD2-CB 4.4Å; L485-P686 HydrophobicContact CD2-CG 3.85Å; L485-P686 HydrophobicContact CG-CB 4.28Å; L485-P686 HydrophobicContact CG-CG 4.27Å; L683-P686 WeakPolarHBondContact O-CD 3.4Å; P686-N688 PolarHBondContact O-N 2.83Å; P686-S689 PolarHBondContact O-N 3.07Å; P686-C690 PolarHBondContact O-N 3.18Å; P686-C690 VanDerWaalsContact O-N 3.15Å
687	L	71.6	Confident	68.9	Low	71 Å²	71	28.7 Å²	28.7	37%	0.372	15%	0.15	S	C	.	.	H	α-helix	trans	-60	-33	-178.1	-106.6	170.6	0	0	0	112.1	L683 F684 C690 A691	L683-L687 VanDerWaalsContact O-CB 3.31Å; L683-L687 WeakPolarHBondContact O-CB 3.49Å; L683-L687 WeakPolarHBondContact O-CD1 3.34Å; L683-L687 WeakPolarHBondContact O-CG 3.44Å; L683-L687 PolarHBondContact O-N 3.21Å; F684-L687 PolarHBondContact O-N 3.1Å; L687-C690 PolarHBondContact O-N 3.36Å; L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 3.23Å
688	N	72.4	Confident	68.8	Low	5 Å²	5	32.4 Å²	32.4	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-54.4	175.5	-161.9	25.3	0	0	0	111.7	D651 C654 P686 C690 A691 N692	D651-N688 PolarHBondContact OD1-ND2 3.25Å; C654-N688 HydrophobicContact CB-CB 4.01Å; P686-N688 PolarHBondContact O-N 2.83Å; N688-C690 PolarHBondContact O-N 3.14Å; N688-A691 PolarHBondContact O-N 2.67Å; N688-N692 PolarHBondContact O-N 3.42Å; N688-N692 PolarHBondContact O-ND2 2.9Å
689	S	77.3	Confident	68.5	Low	5 Å²	5	34.5 Å²	34.5	4%	0.035	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-27.6	178.6	-59.1	0	0	0	0	113.6	N450 D478 P686	N450-S689 PolarHBondContact ND2-O 3.42Å; D478-S689 VanDerWaalsContact CG-CA 3.45Å; D478-S689 WeakPolarHBondContact OD1-CA 3.29Å; D478-S689 VanDerWaalsContact OD1-CB 3.26Å; D478-S689 WeakPolarHBondContact OD1-CB 3.04Å; D478-S689 PolarHBondContact OD1-OG 2.91Å; P686-S689 PolarHBondContact O-N 3.07Å
690	C	76.2	Confident	68.3	Low	11 Å²	11	34.6 Å²	34.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-75.3	-37.6	171	-172.2	0	0	0	0	112.3	V442 A446 P686 L687 N688 F694	V442-C690 HydrophobicContact CG1-CB 4.16Å; A446-C690 HydrophobicContact CB-CB 4.5Å; P686-C690 PolarHBondContact O-N 3.18Å; P686-C690 VanDerWaalsContact O-N 3.15Å; L687-C690 PolarHBondContact O-N 3.36Å; N688-C690 PolarHBondContact O-N 3.14Å; C690-F694 WeakPolarHBondContact O-CD2 3.44Å; C690-F694 VanDerWaalsContact O-CE2 3.31Å; C690-F694 WeakPolarHBondContact O-CE2 3.29Å
691	A	75.1	Confident	68	Low	28 Å²	28	40.2 Å²	40.2	23%	0.231	20%	0.203	C	C	.	.	H	α-helix	trans	-74.5	-37	-176.3	0	0	0	0	0	113.5	L687 N688 F694 L695	L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 3.23Å; N688-A691 PolarHBondContact O-N 2.67Å; A691-F694 PolarHBondContact O-N 3.34Å; A691-L695 HydrophobicContact CB-CD1 4.33Å; A691-L695 WeakPolarHBondContact O-CG 3.43Å; A691-L695 PolarHBondContact O-N 3.04Å
692	N	74.8	Confident	67.7	Low	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-50.2	-48.6	-172.9	-78.2	-31.4	0	0	0	114.8	D478 N688 F694 L695 Y696	D478-N692 WeakPolarHBondContact OD2-CB 3.45Å; D478-N692 PolarHBondContact OD2-ND2 3Å; N688-N692 PolarHBondContact O-N 3.42Å; N688-N692 PolarHBondContact O-ND2 2.9Å; N692-F694 VanDerWaalsContact C-N 3.33Å; N692-F694 PolarHBondContact O-N 3.01Å; N692-L695 PolarHBondContact O-N 2.89Å; N692-Y696 HydrophobicContact CB-CE2 4.32Å; N692-Y696 VanDerWaalsContact O-CD2 3.25Å; N692-Y696 WeakPolarHBondContact O-CD2 3.35Å; N692-Y696 PolarHBondContact O-N 3.45Å
693	P	74.6	Confident	67.6	Low	8 Å²	8	41.2 Å²	41.2	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-42.9	173.4	-29.6	36.4	0	0	0	114.6	N450 V453 Y696 A697	N450-P693 WeakPolarHBondContact OD1-CG 3.43Å; V453-P693 HydrophobicContact CG2-CB 3.8Å; V453-P693 HydrophobicContact CG2-CG 4.17Å; P693-Y696 PolarHBondContact O-N 3.46Å; P693-A697 WeakPolarHBondContact O-CB 3.29Å; P693-A697 PolarHBondContact O-N 3.39Å
694	F	68.4	Low	67.5	Low	96 Å²	96	44.7 Å²	44.7	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-71.3	-38.3	179.7	-59.1	-78.7	0	0	0	111.5	L445 C690 A691 N692 Y696 A697 I698	L445-F694 HydrophobicContact CD1-CZ 4.42Å; L445-F694 HydrophobicContact CD2-CZ 4.39Å; C690-F694 WeakPolarHBondContact O-CD2 3.44Å; C690-F694 VanDerWaalsContact O-CE2 3.31Å; C690-F694 WeakPolarHBondContact O-CE2 3.29Å; A691-F694 PolarHBondContact O-N 3.34Å; N692-F694 VanDerWaalsContact C-N 3.33Å; N692-F694 PolarHBondContact O-N 3.01Å; F694-Y696 VanDerWaalsContact C-N 3.31Å; F694-Y696 PolarHBondContact O-N 3.32Å; F694-A697 PolarHBondContact O-N 3.08Å; F694-I698 HydrophobicContact CB-CD1 4.44Å; F694-I698 VanDerWaalsContact O-CB 3.25Å; F694-I698 WeakPolarHBondContact O-CB 3.33Å; F694-I698 WeakPolarHBondContact O-CD1 3.44Å; F694-I698 WeakPolarHBondContact O-CG1 3.42Å; F694-I698 PolarHBondContact O-N 3.09Å
695	L	69	Low	67.2	Low	17 Å²	17	41.3 Å²	41.3	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174	-63.6	173.3	0	0	0	111	L647 T650 A691 N692 F699	L647-L695 HydrophobicContact CB-CD1 4.44Å; L647-L695 HydrophobicContact CD1-CB 4.2Å; L647-L695 HydrophobicContact CD1-CD1 4.23Å; L647-L695 HydrophobicContact CG-CD1 4.04Å; T650-L695 WeakPolarHBondContact OG1-CD1 3.45Å; A691-L695 HydrophobicContact CB-CD1 4.33Å; A691-L695 WeakPolarHBondContact O-CG 3.43Å; A691-L695 PolarHBondContact O-N 3.04Å; N692-L695 PolarHBondContact O-N 2.89Å; L695-F699 HydrophobicContact CB-CD2 4.44Å; L695-F699 HydrophobicContact CD2-CD2 4.21Å; L695-F699 HydrophobicContact CD2-CE2 3.79Å; L695-F699 WeakPolarHBondContact O-CB 3.31Å; L695-F699 VanDerWaalsContact O-CD2 3.31Å; L695-F699 WeakPolarHBondContact O-CD2 3.47Å; L695-F699 PolarHBondContact O-N 2.89Å
696	Y	65.8	Low	67	Low	15 Å²	15	40.2 Å²	40.2	6%	0.059	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-46.1	175.1	-60.6	-35.8	0	0	0	112.9	V453 M471 L474 L647 N692 P693 F694 I698 T700	V453-Y696 HydrophobicContact CG1-CD2 4.41Å; M471-Y696 HydrophobicContact CG-CE1 4.14Å; M471-Y696 HydrophobicContact CG-CE2 4.39Å; M471-Y696 HydrophobicContact SD-CD1 4.03Å; M471-Y696 HydrophobicContact SD-CE1 3.82Å; L474-Y696 WeakPolarHBondContact CD2-OH 3.46Å; L647-Y696 HydrophobicContact CD1-CD1 4.27Å; L647-Y696 HydrophobicContact CD1-CE1 3.65Å; N692-Y696 HydrophobicContact CB-CE2 4.32Å; N692-Y696 VanDerWaalsContact O-CD2 3.25Å; N692-Y696 WeakPolarHBondContact O-CD2 3.35Å; N692-Y696 PolarHBondContact O-N 3.45Å; P693-Y696 PolarHBondContact O-N 3.46Å; F694-Y696 VanDerWaalsContact C-N 3.31Å; F694-Y696 PolarHBondContact O-N 3.32Å; Y696-I698 VanDerWaalsContact C-N 3.33Å; Y696-I698 PolarHBondContact O-N 3.23Å; Y696-T700 VanDerWaalsContact O-CB 3.28Å; Y696-T700 WeakPolarHBondContact O-CB 3.45Å; Y696-T700 PolarHBondContact O-N 3.08Å; Y696-T700 VanDerWaalsContact O-N 3.09Å
697	A	60.3	Low	67	Low	31 Å²	31	42 Å²	42	26%	0.256	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-40	175.6	0	0	0	0	0	112.5	P693 F694 F703 R704	P693-A697 WeakPolarHBondContact O-CB 3.29Å; P693-A697 PolarHBondContact O-N 3.39Å; F694-A697 PolarHBondContact O-N 3.08Å; A697-F703 HydrophobicContact CB-CE1 4.34Å; A697-R704 WeakPolarHBondContact O-CG 3.47Å; A697-R704 PolarHBondContact O-NE 3.34Å
698	I	59.4	Low	66.8	Low	89 Å²	89	41 Å²	41	46%	0.456	21%	0.212	S	C	.	.	H	α-helix	trans	-76.8	-47.1	-177.5	-68.2	167	0	0	0	111.1	F694 Y696 R704	F694-I698 HydrophobicContact CB-CD1 4.44Å; F694-I698 VanDerWaalsContact O-CB 3.25Å; F694-I698 WeakPolarHBondContact O-CB 3.33Å; F694-I698 WeakPolarHBondContact O-CD1 3.44Å; F694-I698 WeakPolarHBondContact O-CG1 3.42Å; F694-I698 PolarHBondContact O-N 3.09Å; Y696-I698 VanDerWaalsContact C-N 3.33Å; Y696-I698 PolarHBondContact O-N 3.23Å; I698-R704 PolarHBondContact O-NE 2.84Å; I698-R704 PolarHBondContact O-NH2 2.63Å
699	F	58.3	Low	66.4	Low	57 Å²	57	42.4 Å²	42.4	25%	0.25	22%	0.219	C	C	.	.	H	α-helix	trans	-96.1	-21	-167.4	-65	-61.5	0	0	0	115.5	R643 I646 L695	R643-F699 HydrophobicContact CB-CB 4.14Å; R643-F699 HydrophobicContact CB-CD1 4.38Å; R643-F699 HydrophobicContact CB-CG 4.33Å; R643-F699 HydrophobicContact CG-CB 4.1Å; R643-F699 HydrophobicContact CG-CD1 3.77Å; R643-F699 HydrophobicContact CG-CG 4.17Å; R643-F699 PolarHBondContact NH1-O 3.22Å; I646-F699 HydrophobicContact CD1-CE1 4.16Å; I646-F699 HydrophobicContact CD1-CZ 4.02Å; I646-F699 HydrophobicContact CG2-CE2 3.89Å; I646-F699 HydrophobicContact CG2-CZ 4.04Å; L695-F699 HydrophobicContact CB-CD2 4.44Å; L695-F699 HydrophobicContact CD2-CD2 4.21Å; L695-F699 HydrophobicContact CD2-CE2 3.79Å; L695-F699 WeakPolarHBondContact O-CB 3.31Å; L695-F699 VanDerWaalsContact O-CD2 3.31Å; L695-F699 WeakPolarHBondContact O-CD2 3.47Å; L695-F699 PolarHBondContact O-N 2.89Å
700	T	62.2	Low	65.8	Low	50 Å²	50	44.2 Å²	44.2	31%	0.307	23%	0.228	S	C	.	.			trans	-99.9	96.4	-174.5	-55.4	0	0	0	0	112	Y696 A702 F703 R704	Y696-T700 VanDerWaalsContact O-CB 3.28Å; Y696-T700 WeakPolarHBondContact O-CB 3.45Å; Y696-T700 PolarHBondContact O-N 3.08Å; Y696-T700 VanDerWaalsContact O-N 3.09Å; T700-A702 HydrophobicContact CG2-CB 4.43Å; T700-A702 PolarHBondContact O-N 3.05Å; T700-F703 HydrophobicContact CG2-CB 3.72Å; T700-F703 PolarHBondContact O-N 3.31Å; T700-R704 PolarHBondContact O-N 3.03Å
701	K	58.5	Low	65.2	Low	156 Å²	156	46.6 Å²	46.6	68%	0.678	24%	0.24	S	C	*	.	H	α-helix	trans	-55.1	-34.7	180	-78.7	-165	172.7	-168.9	0	114.1	G705	K701-G705 PolarHBondContact O-N 2.96Å
702	A	58.2	Low	64.6	Low	57 Å²	57	46.5 Å²	46.5	47%	0.471	24%	0.238	S	C	.	.	H	α-helix	trans	-65.6	-45.1	176.4	0	0	0	0	0	111.8	T700 R704 G705 D706	T700-A702 HydrophobicContact CG2-CB 4.43Å; T700-A702 PolarHBondContact O-N 3.05Å; A702-R704 PolarHBondContact O-N 2.92Å; A702-G705 CarbonylContact O-C 3.57Å; A702-G705 WeakPolarHBondContact O-CA 3.09Å; A702-G705 PolarHBondContact O-N 2.87Å; A702-D706 PolarHBondContact O-N 2.8Å
703	F	62.2	Low	64.1	Low	12 Å²	12	52.9 Å²	52.9	5%	0.053	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-34.6	179.2	-176.3	-110.3	0	0	0	112.2	V453 V456 L457 A697 T700 G705 D706 I707	V453-F703 HydrophobicContact CB-CZ 4.26Å; V453-F703 HydrophobicContact CG1-CZ 4.36Å; V453-F703 HydrophobicContact CG2-CE1 4.4Å; V453-F703 HydrophobicContact CG2-CZ 3.79Å; V456-F703 HydrophobicContact CB-CE2 3.81Å; V456-F703 HydrophobicContact CB-CZ 4.43Å; V456-F703 HydrophobicContact CG1-CD2 3.76Å; V456-F703 HydrophobicContact CG1-CE2 3.46Å; V456-F703 VanDerWaalsContact CG1-CE2 3.46Å; V456-F703 HydrophobicContact CG1-CZ 4.35Å; L457-F703 HydrophobicContact CD2-CD2 4.29Å; L457-F703 HydrophobicContact CD2-CE2 4.42Å; L457-F703 HydrophobicContact CG-CE2 4.34Å; A697-F703 HydrophobicContact CB-CE1 4.34Å; T700-F703 HydrophobicContact CG2-CB 3.72Å; T700-F703 PolarHBondContact O-N 3.31Å; F703-G705 VanDerWaalsContact C-N 3.34Å; F703-G705 PolarHBondContact O-N 2.82Å; F703-D706 PolarHBondContact O-N 2.93Å; F703-I707 HydrophobicContact CD1-CD1 3.82Å; F703-I707 HydrophobicContact CE1-CD1 3.49Å; F703-I707 VanDerWaalsContact CE1-CD1 3.49Å; F703-I707 HydrophobicContact CE1-CG1 4.37Å; F703-I707 HydrophobicContact CZ-CD1 3.93Å; F703-I707 HydrophobicContact CZ-CG1 4.41Å; F703-I707 WeakPolarHBondContact O-CB 3.21Å; F703-I707 WeakPolarHBondContact O-CG1 3.3Å; F703-I707 PolarHBondContact O-N 3.45Å
704	R	65.8	Low	63.7	Low	110 Å²	110	57.8 Å²	57.8	42%	0.415	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-45.3	166.7	-68.2	-170.5	-177.2	-159.9	4.9	112	A697 I698 T700 A702 I707 F708	A697-R704 WeakPolarHBondContact O-CG 3.47Å; A697-R704 PolarHBondContact O-NE 3.34Å; I698-R704 PolarHBondContact O-NE 2.84Å; I698-R704 PolarHBondContact O-NH2 2.63Å; T700-R704 PolarHBondContact O-N 3.03Å; A702-R704 PolarHBondContact O-N 2.92Å; R704-I707 PolarHBondContact O-N 2.78Å; R704-F708 WeakPolarHBondContact O-CD2 3.41Å; R704-F708 PolarHBondContact O-N 3.15Å
705	G	61.4	Low	62.9	Low	6 Å²	6	55.5 Å²	55.5	6%	0.062	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-45.5	175.6	0	0	0	0	0	112.3	K701 A702 F703 I707 F708 I709	K701-G705 PolarHBondContact O-N 2.96Å; A702-G705 CarbonylContact O-C 3.57Å; A702-G705 WeakPolarHBondContact O-CA 3.09Å; A702-G705 PolarHBondContact O-N 2.87Å; F703-G705 VanDerWaalsContact C-N 3.34Å; F703-G705 PolarHBondContact O-N 2.82Å; G705-I707 VanDerWaalsContact C-N 3.33Å; G705-I707 PolarHBondContact O-N 2.78Å; G705-F708 PolarHBondContact O-N 2.66Å; G705-I709 VanDerWaalsContact O-CG1 3.29Å; G705-I709 WeakPolarHBondContact O-CG1 3.36Å; G705-I709 PolarHBondContact O-N 2.94Å
706	D	65.7	Low	62.1	Low	18 Å²	18	59.9 Å²	59.9	10%	0.096	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-41	176.6	-65.3	-27.7	0	0	0	111.1	V456 Y462 R468 A702 F703 I709 L710	V456-D706 HydrophobicContact CG1-CB 3.72Å; Y462-D706 WeakPolarHBondContact CD2-OD1 3.18Å; Y462-D706 VanDerWaalsContact CE2-OD1 3.24Å; Y462-D706 WeakPolarHBondContact CE2-OD1 3.27Å; R468-D706 IonicContact NH2-OD2 3.62Å; R468-D706 PolarHBondContact NH2-OD2 3.18Å; R468-D706 VanDerWaalsContact NH2-OD2 3.13Å; A702-D706 PolarHBondContact O-N 2.8Å; F703-D706 PolarHBondContact O-N 2.93Å; D706-I709 PolarHBondContact O-N 3.42Å; D706-L710 PolarHBondContact O-N 3.4Å
707	I	69.7	Low	61.4	Low	39 Å²	39	62.1 Å²	62.1	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-49.1	172	-75.3	167.5	0	0	0	112	V456 F703 R704 G705 I709 L710 L711	V456-I707 HydrophobicContact CG1-CG1 4.34Å; V456-I707 HydrophobicContact CG2-CG1 3.95Å; F703-I707 HydrophobicContact CD1-CD1 3.82Å; F703-I707 HydrophobicContact CE1-CD1 3.49Å; F703-I707 VanDerWaalsContact CE1-CD1 3.49Å; F703-I707 HydrophobicContact CE1-CG1 4.37Å; F703-I707 HydrophobicContact CZ-CD1 3.93Å; F703-I707 HydrophobicContact CZ-CG1 4.41Å; F703-I707 WeakPolarHBondContact O-CB 3.21Å; F703-I707 WeakPolarHBondContact O-CG1 3.3Å; F703-I707 PolarHBondContact O-N 3.45Å; R704-I707 PolarHBondContact O-N 2.78Å; G705-I707 VanDerWaalsContact C-N 3.33Å; G705-I707 PolarHBondContact O-N 2.78Å; I707-I709 VanDerWaalsContact C-N 3.28Å; I707-I709 PolarHBondContact O-N 3.35Å; I707-L710 PolarHBondContact O-N 2.9Å; I707-L710 VanDerWaalsContact O-N 3.16Å; I707-L711 HydrophobicContact CG2-CD1 3.8Å; I707-L711 HydrophobicContact CG2-CG 4.31Å; I707-L711 WeakPolarHBondContact O-CG 3.25Å; I707-L711 PolarHBondContact O-N 3.48Å
708	F	67	Low	61.3	Low	50 Å²	50	66.6 Å²	66.6	22%	0.219	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-35	179	-74.4	-61.4	0	0	0	112.2	R704 G705 L711 S712 C717 Q720 F724	R704-F708 WeakPolarHBondContact O-CD2 3.41Å; R704-F708 PolarHBondContact O-N 3.15Å; G705-F708 PolarHBondContact O-N 2.66Å; F708-L711 HydrophobicContact CD1-CD1 4.36Å; F708-S712 WeakPolarHBondContact O-CB 3.24Å; F708-S712 PolarHBondContact O-N 3.33Å; F708-C717 HydrophobicContact CD1-CB 4.23Å; F708-Q720 HydrophobicContact CD1-CB 4.2Å; F708-Q720 HydrophobicContact CE1-CB 4.44Å; F708-F724 HydrophobicContact CD2-CD2 4.04Å; F708-F724 AromaticContact CD2-CE2 3.6Å; F708-F724 HydrophobicContact CD2-CE2 3.6Å; F708-F724 HydrophobicContact CD2-CZ 4.45Å; F708-F724 AromaticContact CE2-CE2 3.96Å; F708-F724 HydrophobicContact CE2-CE2 3.96Å
709	I	65.2	Low	60.9	Low	34 Å²	34	70.4 Å²	70.4	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-42.5	173.4	-69.4	164.9	0	0	0	110.6	G705 D706 I707 S712 K713	G705-I709 VanDerWaalsContact O-CG1 3.29Å; G705-I709 WeakPolarHBondContact O-CG1 3.36Å; G705-I709 PolarHBondContact O-N 2.94Å; D706-I709 PolarHBondContact O-N 3.42Å; I707-I709 VanDerWaalsContact C-N 3.28Å; I707-I709 PolarHBondContact O-N 3.35Å; I709-S712 PolarHBondContact O-N 3.04Å; I709-S712 PolarHBondContact O-OG 2.96Å; I709-K713 PolarHBondContact O-N 2.75Å
710	L	64.9	Low	60.7	Low	43 Å²	43	72 Å²	72	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-48.2	175.2	-175.1	70.6	0	0	0	111.9	L455 V456 D706 I707 S712 K713 V714	L455-L710 HydrophobicContact CD2-CD1 3.94Å; L455-L710 HydrophobicContact CD2-CD2 3.62Å; L455-L710 HydrophobicContact CD2-CG 4.45Å; V456-L710 HydrophobicContact CG2-CD2 3.6Å; D706-L710 PolarHBondContact O-N 3.4Å; I707-L710 PolarHBondContact O-N 2.9Å; I707-L710 VanDerWaalsContact O-N 3.16Å; L710-S712 PolarHBondContact O-N 3.44Å; L710-K713 WeakPolarHBondContact O-CB 3.12Å; L710-K713 PolarHBondContact O-N 3.15Å; L710-V714 PolarHBondContact O-N 3.05Å
711	L	63.8	Low	60.4	Low	62 Å²	62	69.9 Å²	69.9	33%	0.325	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-37.5	175.9	-72	169.8	0	0	0	111.8	I707 F708 K713 V714 G715 L716	I707-L711 HydrophobicContact CG2-CD1 3.8Å; I707-L711 HydrophobicContact CG2-CG 4.31Å; I707-L711 WeakPolarHBondContact O-CG 3.25Å; I707-L711 PolarHBondContact O-N 3.48Å; F708-L711 HydrophobicContact CD1-CD1 4.36Å; L711-K713 VanDerWaalsContact C-N 3.29Å; L711-K713 PolarHBondContact O-N 3.07Å; L711-V714 CarbonylContact O-C 3.3Å; L711-V714 WeakPolarHBondContact O-CA 3.33Å; L711-V714 PolarHBondContact O-N 3.04Å; L711-G715 PolarHBondContact O-N 3.47Å; L711-G715 VanDerWaalsContact O-N 3.08Å; L711-L716 CarbonylContact C-O 3.58Å; L711-L716 HydrophobicContact CB-CB 4.49Å; L711-L716 PolarHBondContact O-N 2.99Å
712	S	62.2	Low	60.2	Low	26 Å²	26	69 Å²	69	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-68.2	-23.7	176.3	76.8	0	0	0	0	114.3	F708 I709 L710 V714 G715 L716	F708-S712 WeakPolarHBondContact O-CB 3.24Å; F708-S712 PolarHBondContact O-N 3.33Å; I709-S712 PolarHBondContact O-N 3.04Å; I709-S712 PolarHBondContact O-OG 2.96Å; L710-S712 PolarHBondContact O-N 3.44Å; S712-V714 VanDerWaalsContact C-N 3.32Å; S712-G715 PolarHBondContact O-N 2.87Å; S712-L716 WeakPolarHBondContact CA-O 3.31Å; S712-L716 PolarHBondContact N-O 3.3Å
713	K	63.3	Low	60	Low	135 Å²	135	72.4 Å²	72.4	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-73.6	-23.3	168.1	-68.4	-177.2	174.6	-178.5	0	112.4	I709 L710 L711	I709-K713 PolarHBondContact O-N 2.75Å; L710-K713 WeakPolarHBondContact O-CB 3.12Å; L710-K713 PolarHBondContact O-N 3.15Å; L711-K713 VanDerWaalsContact C-N 3.29Å; L711-K713 PolarHBondContact O-N 3.07Å
714	V	67.6	Low	59.5	Low	110 Å²	110	75.2 Å²	75.2	67%	0.667	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.9	175.7	-172.4	0	0	0	0	111.5	L710 L711 S712	L710-V714 PolarHBondContact O-N 3.05Å; L711-V714 CarbonylContact O-C 3.3Å; L711-V714 WeakPolarHBondContact O-CA 3.33Å; L711-V714 PolarHBondContact O-N 3.04Å; S712-V714 VanDerWaalsContact C-N 3.32Å
715	G	50.8	Low	58.9	Low	49 Å²	49	77.2 Å²	77.2	51%	0.505	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-3.4	175.9	0	0	0	0	0	115.8	L711 S712	L711-G715 PolarHBondContact O-N 3.47Å; L711-G715 VanDerWaalsContact O-N 3.08Å; S712-G715 PolarHBondContact O-N 2.87Å
716	L	51.2	Low	58	Low	108 Å²	108	79.2 Å²	79.2	57%	0.565	41%	0.414	S	S	*	.	S	Bend	trans	-97.3	146.7	-179	-69.4	167.2	0	0	0	112.1	L711 S712 Q718	L711-L716 CarbonylContact C-O 3.58Å; L711-L716 HydrophobicContact CB-CB 4.49Å; L711-L716 PolarHBondContact O-N 2.99Å; S712-L716 WeakPolarHBondContact CA-O 3.31Å; S712-L716 PolarHBondContact N-O 3.3Å; L716-Q718 PolarHBondContact O-N 3.27Å
717	C	52.6	Low	57.1	Low	62 Å²	62	86.2 Å²	86.2	42%	0.419	45%	0.446	S	S	.	.			trans	55.3	34	173.8	-70.6	0	0	0	0	117.2	F708 Q719 Q720 A721	F708-C717 HydrophobicContact CD1-CB 4.23Å; C717-Q719 VanDerWaalsContact C-N 3.32Å; C717-Q719 PolarHBondContact O-N 3.01Å; C717-Q720 HydrophobicContact CB-CB 4.43Å; C717-Q720 PolarHBondContact O-N 3.4Å; C717-Q720 PolarHBondContact SG-OE1 3.01Å; C717-Q720 VanDerWaalsContact SG-OE1 3.36Å; C717-A721 PolarHBondContact O-N 3.49Å
718	Q	57	Low	55.8	Low	125 Å²	125	89.2 Å²	89.2	58%	0.584	47%	0.466	S	S	*	.	H	α-helix	trans	-51.6	-41	-179.7	-73.9	-175.4	-19.4	0	0	114.7	L716 Q720 A721 Q722	L716-Q718 PolarHBondContact O-N 3.27Å; Q718-Q720 PolarHBondContact O-N 3.45Å; Q718-A721 PolarHBondContact O-N 3.13Å; Q718-Q722 PolarHBondContact O-N 3.23Å
719	Q	52.1	Low	54.4	Low	170 Å²	170	92.5 Å²	92.5	79%	0.794	49%	0.49	S	S	*	.	H	α-helix	trans	-61.3	-41.1	177.7	-77	-175.9	-18.4	0	0	112.9	C717 Q722 L723	C717-Q719 VanDerWaalsContact C-N 3.32Å; C717-Q719 PolarHBondContact O-N 3.01Å; Q719-Q722 PolarHBondContact O-N 3.28Å; Q719-L723 PolarHBondContact O-N 3.09Å
720	Q	54.3	Low	52.8	Low	91 Å²	91	96.5 Å²	96.5	43%	0.425	52%	0.521	S	S	.	.	H	α-helix	trans	-70.4	-36.2	-179.3	-70.3	172.3	-18.8	0	0	111.4	F708 C717 Q718 Q722 L723 F724	F708-Q720 HydrophobicContact CD1-CB 4.2Å; F708-Q720 HydrophobicContact CE1-CB 4.44Å; C717-Q720 HydrophobicContact CB-CB 4.43Å; C717-Q720 PolarHBondContact O-N 3.4Å; C717-Q720 PolarHBondContact SG-OE1 3.01Å; C717-Q720 VanDerWaalsContact SG-OE1 3.36Å; Q718-Q720 PolarHBondContact O-N 3.45Å; Q720-Q722 VanDerWaalsContact C-N 3.31Å; Q720-Q722 PolarHBondContact O-N 2.87Å; Q720-L723 PolarHBondContact O-N 3.14Å; Q720-F724 WeakPolarHBondContact O-CD2 3.43Å; Q720-F724 PolarHBondContact O-N 3.36Å
721	A	55	Low	51.2	Low	4 Å²	4	99.6 Å²	99.6	3%	0.033	55%	0.546	C	S	.	.	H	α-helix	trans	-63.4	-34.3	173.5	0	0	0	0	0	112.9	C717 Q718 R725	C717-A721 PolarHBondContact O-N 3.49Å; Q718-A721 PolarHBondContact O-N 3.13Å; A721-R725 PolarHBondContact O-N 3.36Å
722	Q	53.3	Low	49.6	Very low	139 Å²	139	106.4 Å²	106.4	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-70.2	-36.3	175.2	-69.2	-161.7	9.3	0	0	113	Q718 Q719 Q720 F724 R725 G726	Q718-Q722 PolarHBondContact O-N 3.23Å; Q719-Q722 PolarHBondContact O-N 3.28Å; Q720-Q722 VanDerWaalsContact C-N 3.31Å; Q720-Q722 PolarHBondContact O-N 2.87Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.93Å; Q722-R725 WeakPolarHBondContact O-CB 3.47Å; Q722-R725 PolarHBondContact O-N 2.83Å; Q722-R725 VanDerWaalsContact O-N 3.14Å; Q722-G726 PolarHBondContact O-N 3.28Å
723	L	54	Low	48	Very low	127 Å²	127	109 Å²	109	67%	0.665	61%	0.605	S	S	*	*	H	α-helix	trans	-60.2	-39.9	175	-76.4	165.4	0	0	0	112.5	Q719 Q720 G726 Q727	Q719-L723 PolarHBondContact O-N 3.09Å; Q720-L723 PolarHBondContact O-N 3.14Å; L723-G726 PolarHBondContact O-N 3.01Å; L723-Q727 PolarHBondContact O-N 3.49Å
724	F	52.7	Low	46.2	Very low	72 Å²	72	108.4 Å²	108.4	32%	0.316	62%	0.617	S	S	.	*	H	α-helix	trans	-69.7	-32.3	174.5	-81	-77.5	0	0	0	113.2	F708 Q720 Q722	F708-F724 HydrophobicContact CD2-CD2 4.04Å; F708-F724 AromaticContact CD2-CE2 3.6Å; F708-F724 HydrophobicContact CD2-CE2 3.6Å; F708-F724 HydrophobicContact CD2-CZ 4.45Å; F708-F724 AromaticContact CE2-CE2 3.96Å; F708-F724 HydrophobicContact CE2-CE2 3.96Å; Q720-F724 WeakPolarHBondContact O-CD2 3.43Å; Q720-F724 PolarHBondContact O-N 3.36Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.93Å
725	R	54	Low	44.4	Very low	152 Å²	152	108.9 Å²	108.9	57%	0.574	63%	0.625	S	S	*	*	H	α-helix	trans	-65.8	-44.1	169.9	-75.3	179.4	169.8	175.1	-2.5	111.7	A721 Q722 Q727 T728	A721-R725 PolarHBondContact O-N 3.36Å; Q722-R725 WeakPolarHBondContact O-CB 3.47Å; Q722-R725 PolarHBondContact O-N 2.83Å; Q722-R725 VanDerWaalsContact O-N 3.14Å; R725-Q727 PolarHBondContact O-N 2.64Å; R725-T728 PolarHBondContact O-N 3.28Å; R725-T728 PolarHBondContact O-OG1 3.13Å
726	G	42.5	Very low	43.2	Very low	47 Å²	47	110.2 Å²	110.2	49%	0.485	64%	0.639	S	S	.	*	H	α-helix	trans	-57.4	-42.1	-178.9	0	0	0	0	0	114	Q722 L723 T728	Q722-G726 PolarHBondContact O-N 3.28Å; L723-G726 PolarHBondContact O-N 3.01Å; G726-T728 PolarHBondContact O-N 3.33Å; G726-T728 VanDerWaalsContact O-N 3.15Å
727	Q	45.2	Very low	42.2	Very low	165 Å²	165	113.3 Å²	113.3	77%	0.771	66%	0.655	S	S	*	*	H	α-helix	trans	-67.9	-11.1	-179.2	-71.5	-166.9	-13.3	0	0	115.1	L723 R725	L723-Q727 PolarHBondContact O-N 3.49Å; R725-Q727 PolarHBondContact O-N 2.64Å
728	T	42.5	Very low	40.9	Very low	103 Å²	103	115.3 Å²	115.3	63%	0.632	67%	0.669	S	S	*	*	H	α-helix	trans	-104	-8.2	-177.1	49.2	0	0	0	0	114.9	R725 G726	R725-T728 PolarHBondContact O-N 3.28Å; R725-T728 PolarHBondContact O-OG1 3.13Å; G726-T728 PolarHBondContact O-N 3.33Å; G726-T728 VanDerWaalsContact O-N 3.15Å
729	V	37.3	Very low	39.5	Very low	118 Å²	118	118.2 Å²	118.2	72%	0.715	68%	0.683	S	S	*	*	H	α-helix	trans	-91.7	-32.2	179	-178	0	0	0	0	112.5	S731	V729-S731 PolarHBondContact O-N 3.44Å
730	S	32.7	Very low	38.4	Very low	118 Å²	118	117 Å²	117	83%	0.825	69%	0.687	S	S	*	*	S	Bend	trans	-78.4	46.6	-175.3	-156.5	0	0	0	0	114.3
731	S	32.2	Very low	36.9	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	70%	0.702	S	S	*	*	S	Bend	trans	-152.2	53.3	176.9	-159.6	0	0	0	0	112.8	V729	V729-S731 PolarHBondContact O-N 3.44Å
732	K	29.2	Very low	35.6	Very low	206 Å²	206	133.3 Å²	133.3	90%	0.896	74%	0.743	S	S	*	*	S	Bend	trans	-164.3	127.6	162	-113.7	169.4	-176.2	-176.7	0	111.5
733	G	28.5	Very low	34.3	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	75%	0.746	S	S	*	*			trans	91.1	75.1	157.1	0	0	0	0	0	117.8
734	S	26.4	Very low	33.1	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	76%	0.755	S	S	*	*			trans	-145.5	102.8	135.8	-170.1	0	0	0	0	109.1
735	S	28.4	Very low	31.8	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	78%	0.781	S	S	*	*			trans	-155.3	58.3	-176.1	-56	0	0	0	0	109.5
736	G	26.8	Very low	30.5	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	79%	0.791	S	S	*	*			trans	-97.7	117.1	173.7	0	0	0	0	0	110.5
737	I	30.4	Very low	29.8	Very low	174 Å²	174	150.4 Å²	150.4	89%	0.892	81%	0.809	S	S	*	*			trans	-102.5	119.4	175	-64.6	171.6	0	0	0	108.6
738	S	25.2	Very low	28.8	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	81%	0.812	S	S	*	*			trans	-159.4	124.7	162.9	55.4	0	0	0	0	113.5
739	Q	26.5	Very low	27.9	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	82%	0.823	S	S	*	*			trans	64.7	99.5	152.2	-62.9	-173.1	-10.9	0	0	120.7
740	V	28.6	Very low	27.3	Very low	145 Å²	145	145 Å²	145	88%	0.879	83%	0.825	S	S	*	*				0.1	117.4	123.5	-175.7	0	0	0	0	116.6
741	R	23.9	Very low	26.9	Very low	200 Å²	200	147.8 Å²	147.8	76%	0.755	83%	0.83	S	S	*	*			trans	-142.2	145.8	132.6	-169.7	169.6	172.2	124.7	4.6	109.4	E743	R741-E743 IonicContact CZ-OE1 3.8Å; R741-E743 IonicContact CZ-OE2 3.74Å; R741-E743 IonicContact NE-OE1 3.65Å; R741-E743 IonicContact NE-OE2 3.01Å; R741-E743 PolarHBondContact NE-OE2 3.39Å; R741-E743 IonicContact NH2-OE1 3.01Å; R741-E743 PolarHBondContact NH2-OE1 3.07Å; R741-E743 IonicContact NH2-OE2 3.57Å
742	R	27.2	Very low	26.6	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	83%	0.832	S	S	*	*			trans	-122.5	107.9	-171.4	-172.6	-169.7	-158.7	178.7	7.7	109.1
743	E	26.2	Very low	26.4	Very low	150 Å²	150	145.5 Å²	145.5	70%	0.701	83%	0.831	S	S	*	*			trans	-135.7	152.5	174.1	-121.5	123.5	-144.3	0	0	109.9	R741	R741-E743 IonicContact CZ-OE1 3.8Å; R741-E743 IonicContact CZ-OE2 3.74Å; R741-E743 IonicContact NE-OE1 3.65Å; R741-E743 IonicContact NE-OE2 3.01Å; R741-E743 PolarHBondContact NE-OE2 3.39Å; R741-E743 IonicContact NH2-OE1 3.01Å; R741-E743 PolarHBondContact NH2-OE1 3.07Å; R741-E743 IonicContact NH2-OE2 3.57Å
744	K	27.9	Very low	26.3	Very low	197 Å²	197	151 Å²	151	86%	0.857	84%	0.835	S	S	*	*			trans	-104.9	175.8	-176.8	-75.8	179.1	174.2	175.4	0	110.5
745	V	27	Very low	26.2	Very low	143 Å²	143	153.3 Å²	153.3	87%	0.867	83%	0.833	S	S	*	*			trans	108.9	139.9	158.1	175.2	0	0	0	0	114.4
746	R	25.4	Very low	25.9	Very low	207 Å²	207	154.4 Å²	154.4	78%	0.781	83%	0.828	S	S	*	*			cis	-172.4	130.8	-31.7	-170.8	178.9	-166.3	-170.2	6	109.3
747	K	27.2	Very low	26.5	Very low	198 Å²	198	155.8 Å²	155.8	86%	0.861	82%	0.823	S	S	*	*			trans	55.6	141	159.9	-80.2	-175.5	170.5	-165.7	0	120.3
748	G	24.4	Very low	26.3	Very low	81 Å²	81	155.5 Å²	155.5	84%	0.835	82%	0.821	S	S	*	*			trans	135.5	130.3	135.1	0	0	0	0	0	116.5
749	G	25.4	Very low	26.2	Very low	84 Å²	84	157.1 Å²	157.1	87%	0.866	82%	0.822	S	S	*	*			trans	132.3	133.2	172.6	0	0	0	0	0	113.5
750	S	22.9	Very low	26.1	Very low	109 Å²	109	154.1 Å²	154.1	76%	0.762	81%	0.811	S	S	*	*			trans	-159.6	165.7	178.9	-170.3	0	0	0	0	111.2
751	L	26.1	Very low	26	Very low	176 Å²	176	156.1 Å²	156.1	92%	0.921	81%	0.808	S	S	*	*			trans	70.8	148.8	174.1	-65.9	124.4	0	0	0	118
752	G	25.6	Very low	26.2	Very low	78 Å²	78	151.2 Å²	151.2	80%	0.804	81%	0.805	S	S	*	*			trans	140.9	91.1	174.2	0	0	0	0	0	113.8
753	Q	24.7	Very low	26.1	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	80%	0.8	S	S	*	*			trans	-88.8	149.8	159.1	-74.5	167.7	-108.1	0	0	109.1
754	E	25.2	Very low	26.2	Very low	196 Å²	196	145.6 Å²	145.6	92%	0.916	81%	0.805	S	S	*	*				173.8	177.9	120	-95	-175.7	148.5	0	0	111.8
755	E	25	Very low	26.2	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.794	80%	0.803	S	S	*	*			trans	-109.7	150.6	-162.3	-62	-172.3	124.1	0	0	114.4
756	I	23.3	Very low	26.2	Very low	143 Å²	143	148.1 Å²	148.1	73%	0.733	80%	0.802	S	S	*	*				32.7	137.7	125.2	-48.9	170.3	0	0	0	118.2
757	P	38.8	Very low	26.3	Very low	106 Å²	106	143.5 Å²	143.5	69%	0.688	80%	0.796	S	S	*	*			cis	-133.7	-161.7	-22.2	39.8	-20.9	0	0	0	111.9
758	I	25	Very low	26.3	Very low	169 Å²	169	144.5 Å²	144.5	87%	0.867	80%	0.796	S	S	*	*				-172.3	166	118.7	-97.7	165.1	0	0	0	110.9
759	N	23.3	Very low	26.7	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	79%	0.794	S	S	*	*			trans	-111.4	174.8	-162.4	-166.1	-4.7	0	0	0	112.3
760	L	25.7	Very low	27.4	Very low	122 Å²	122	150.5 Å²	150.5	64%	0.639	79%	0.79	S	S	*	*			trans	111.5	118.6	132.6	-139.9	74.6	0	0	0	120.1
761	K	25.2	Very low	27.6	Very low	186 Å²	186	149 Å²	149	81%	0.809	79%	0.792	S	S	*	*			trans	97.1	142.7	137.6	-103.3	166.5	-166.2	174.4	0	121.8
762	S	28.4	Very low	27.8	Very low	98 Å²	98	149 Å²	149	69%	0.685	79%	0.792	S	S	*	*			trans	-86.4	159.1	-177.8	51.9	0	0	0	0	113.3
763	L	26.4	Very low	27.9	Very low	152 Å²	152	154.4 Å²	154.4	80%	0.796	79%	0.793	S	S	*	*			trans	-123.3	110.6	156.1	-116	85.8	0	0	0	111.5
764	S	28	Very low	28.8	Very low	117 Å²	117	150.1 Å²	150.1	82%	0.818	78%	0.781	S	S	*	*			trans	-94.2	152.1	143.3	51.1	0	0	0	0	107.8
765	R	26.8	Very low	29	Very low	214 Å²	214	147.2 Å²	147.2	81%	0.808	77%	0.772	S	S	*	*			trans	-149.5	114.5	-165.6	-160.8	-171.7	-153.8	-158.9	8.2	114.3
766	Q	27.2	Very low	29.2	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	77%	0.769	S	S	*	*			trans	-174	107.5	153.4	-100.5	156.7	-1.6	0	0	105.7
767	T	28.6	Very low	29.5	Very low	109 Å²	109	144.3 Å²	144.3	67%	0.669	76%	0.764	S	S	*	*				58	127.8	85	61	0	0	0	0	113.3
768	Y	26	Very low	29.2	Very low	219 Å²	219	146 Å²	146	86%	0.859	76%	0.762	S	S	*	*			cis	-141.6	179.9	35.9	-113.2	-88.9	0	0	0	115.8
769	H	32.7	Very low	29.6	Very low	168 Å²	168	143.8 Å²	143.8	78%	0.778	75%	0.752	S	S	*	*			trans	-78.4	-178.1	178.9	-79.5	-79.9	0	0	0	114.9
770	P	41.8	Very low	30.1	Very low	123 Å²	123	144 Å²	144	80%	0.799	75%	0.753	S	S	*	*			cis	-136.8	174.1	-44.8	38.7	-22.6	0	0	0	113.9
771	G	26.7	Very low	30.6	Very low	78 Å²	78	144.8 Å²	144.8	80%	0.804	76%	0.757	S	S	*	*			trans	-157.3	139	173.1	0	0	0	0	0	114.8
772	I	29.5	Very low	31.2	Very low	177 Å²	177	146.4 Å²	146.4	91%	0.908	78%	0.783	S	S	*	*			trans	-75	155.5	-164.4	-70.6	162.6	0	0	0	115.2
773	K	27.5	Very low	31.3	Very low	190 Å²	190	148.9 Å²	148.9	83%	0.826	79%	0.788	S	S	*	*			trans	-64.3	174.9	171.7	-93.8	-170	175.6	-169.6	0	115
774	P	43.4	Very low	31.6	Very low	97 Å²	97	148.7 Å²	148.7	63%	0.63	79%	0.788	S	S	*	*			cis	-140.8	-159	-29.5	40.8	-20.7	0	0	0	113.4
775	D	29.7	Very low	31.8	Very low	136 Å²	136	150.4 Å²	150.4	73%	0.727	79%	0.786	S	S	*	*			trans	84.7	120.9	147.7	-75.4	12.4	0	0	0	123.5
776	N	29.5	Very low	32.1	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	79%	0.785	S	S	*	*			trans	70.4	135.9	136.1	-73.4	-12.9	0	0	0	124.7
777	N	30.1	Very low	32.4	Very low	117 Å²	117	144.6 Å²	144.6	63%	0.626	78%	0.781	S	S	*	*			trans	69.9	115.2	142.7	-73.2	33.3	0	0	0	121.4
778	Q	31.4	Very low	32.6	Very low	142 Å²	142	147 Å²	147	66%	0.664	79%	0.789	S	S	*	*				86.2	125.6	119.7	-77.7	-174.2	-96.3	0	0	121.4
779	D	33.1	Very low	33.1	Very low	121 Å²	121	141.9 Å²	141.9	65%	0.647	78%	0.784	S	S	*	*				93.7	140	127	-65	-1.2	0	0	0	122.1
780	L	34.7	Very low	33.1	Very low	144 Å²	144	139.8 Å²	139.8	75%	0.754	78%	0.784	S	S	*	*			trans	64.4	111.2	166.4	-86.4	72.7	0	0	0	120.3
781	D	35.7	Very low	32.4	Very low	137 Å²	137	141.3 Å²	141.3	73%	0.733	78%	0.783	S	S	*	*				43.6	105.6	116.3	-52.4	-11.9	0	0	0	119.3
782	T	37.6	Very low	32.9	Very low	221 Å²	221	147 Å²	147	100%	1.356	78%	0.781	S	S	*	*				-165.7	0	98.2	15.8	0	0	0	0	112.8

Retrieved 782 of 782 residues in 455.2 ms (Link to these results)

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