A0A087XZQ1_POEFO Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A087XZQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 909 aa.

						>A0A087XZQ1_POEFO|A0A087XZQ1
MSAPPLIRAPSPLPFLGGTSSPNTEGGGGEGGGGVISFQIQIGMSREPVLLDAAELNLSQVREVACSIINQKLPECGFYGMYEKILLFRHDQTSDNMLQLLRSASQIQEGDLVEAILSASATMEDFQIRPHSLFVHSYRAPTFCDHCGEMLWGLVRQGLKCEGCGLNYHKRCAFKIPNNCSGVRRRRNSTVSLTGGIVNVGRPLSAEPSPPHYTDDALLSPVSPNVEKNQLEYYPGRERRASTQSYIGRPIELDKILLSKVKVPHTFLIHSYTRPTVCQHCKKLLKGLFRQGLQCKDCKFNCHKRCALKVPNNCLGEVSRNEDLLSPGAELDAVMVEGCLDDPSGDRRGSLLDDMDEALTSDGGLMLDTGSADLSDLRDPDLDDSNRAISPSTSNNIPLMRIVQSVKHTKRKNSNVMKEGWMVHYTSKDTLRKRHYWRLDSKCITLYQNDTGSKYYREIPLSEILSLEPAQNFSLLPEGANPHCFEITTAMLVYYVGENLLRGESSMTGSSILVSGVGQDVARMWEMAIQHALMPAVSTGICHNSHRSGHKEISISISVSNCQIQENVDINSVYQIFPDEVLGSGQFGIVYGGKHRKSGRDVAIKIIDKLRFPTKQESQLRNEVAILQSLHHPGVVNLECMFETPERVFVVMEKLHGDMLEMILSSEKGRLPERITKFLVTQILVALRHLHFKNIVHCDLKPENVLLASADSFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLRNKGYNRSLDMWSVGVIIYVSLSGTFPFNEDEDINDQIQNAAFMYPPHPWKKVSQEAIDLINNLLQVKMRKRYSVDKTLSHPWLQDYQMWLDLRNLEGRMNERYITHESDDLRWLHHAQLSGLDYPSNFMNGPLNDVDPGMERYHEQEEELETLSERVSEL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	28.1	Very low	248 Å²	248	144.6 Å²	144.6	100%	1.222	85%	0.845	S	S	*	*				0	136.8	0	-72.1	166.6	169	0	0	107.5
2	S	24.4	Very low	28.4	Very low	123 Å²	123	143.4 Å²	143.4	86%	0.86	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.7	152.2	-179.3	-52	0	0	0	0	111
3	A	24	Very low	28.7	Very low	93 Å²	93	144.5 Å²	144.5	77%	0.769	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-75.6	146.9	172.8	0	0	0	0	0	111
4	P	27.8	Very low	28.9	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71	160.4	173.7	30.8	-35.3	0	0	0	111.9
5	P	27.4	Very low	28.9	Very low	120 Å²	120	146.7 Å²	146.7	78%	0.779	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.2	146.4	-178	-19.3	33	0	0	0	113.6	I7	P5-I7 PolarHBondContact O-N 3.1Å
6	L	27.3	Very low	28.9	Very low	176 Å²	176	148.1 Å²	148.1	92%	0.921	84%	0.843	S	S	*	*			trans	-84.3	97.3	170.3	-77.4	166.9	0	0	0	110.4
7	I	30.5	Very low	28.9	Very low	166 Å²	166	144.3 Å²	144.3	85%	0.851	85%	0.845	S	S	*	*			trans	-70.9	132.7	168.7	-59	178	0	0	0	109	P5	P5-I7 PolarHBondContact O-N 3.1Å
8	R	26.8	Very low	28.9	Very low	233 Å²	233	140.7 Å²	140.7	88%	0.879	84%	0.843	S	S	*	*			trans	-105.7	122.8	-174.8	-173	179.3	-174.2	173.5	1.4	109.8
9	A	30.7	Very low	28.9	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-61.3	139.4	177.5	0	0	0	0	0	111.8
10	P	31.5	Very low	29	Very low	121 Å²	121	137.9 Å²	137.9	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.1	151.5	177.2	30	-34.3	0	0	0	112.1
11	S	28.4	Very low	29.1	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-74.8	144	173.8	-57.8	0	0	0	0	111.2	L13	S11-L13 PolarHBondContact O-N 3.31Å
12	P	31.6	Very low	30.5	Very low	130 Å²	130	130.2 Å²	130.2	84%	0.844	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.2	125.5	173.5	29	-33.6	0	0	0	111
13	L	31.5	Very low	30.7	Very low	158 Å²	158	131.1 Å²	131.1	83%	0.827	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-92.7	147	163.9	-76.1	169.7	0	0	0	109.8	S11	S11-L13 PolarHBondContact O-N 3.31Å
14	P	32.4	Very low	31.1	Very low	110 Å²	110	132 Å²	132	71%	0.714	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.8	141.1	-177.3	30.7	-34.6	0	0	0	112.2
15	F	28.3	Very low	31.4	Very low	211 Å²	211	135.7 Å²	135.7	93%	0.925	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.2	131.7	169.9	-87.1	-101.7	0	0	0	111.2
16	L	29.9	Very low	31.5	Very low	169 Å²	169	133.9 Å²	133.9	89%	0.885	81%	0.808	S	S	*	*			trans	-110.7	123.3	161.8	-98.9	148.3	0	0	0	107.9
17	G	27.8	Very low	31.6	Very low	84 Å²	84	129.3 Å²	129.3	87%	0.866	80%	0.804	S	S	*	*			trans	-85.7	137.9	175.3	0	0	0	0	0	111.5
18	G	28.8	Very low	31.6	Very low	79 Å²	79	125.5 Å²	125.5	81%	0.814	81%	0.806	S	S	*	*			trans	-165.1	132.8	177.3	0	0	0	0	0	110.9
19	T	29.7	Very low	32	Very low	131 Å²	131	118.3 Å²	118.3	80%	0.804	80%	0.803	S	S	*	*			trans	-86.7	159.9	-167	47.9	0	0	0	0	115
20	S	30.8	Very low	32.1	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	81%	0.813	S	S	*	*			trans	68.2	103.2	143	61.1	0	0	0	0	121.2
21	S	30.4	Very low	32.8	Very low	118 Å²	118	122 Å²	122	83%	0.825	82%	0.82	S	S	*	*				78.2	160.3	116.6	-55.2	0	0	0	0	119
22	P	59.9	Low	33.2	Very low	107 Å²	107	120.2 Å²	120.2	70%	0.695	82%	0.818	S	S	*	*			trans	-122.9	175.1	-136.3	42	-32.1	0	0	0	116.1
23	N	29.8	Very low	34.1	Very low	143 Å²	143	116.3 Å²	116.3	77%	0.765	80%	0.801	S	S	*	*				173.8	164.8	123.9	-90.9	-19.5	0	0	0	115.8
24	T	32.5	Very low	35.5	Very low	112 Å²	112	110.7 Å²	110.7	69%	0.687	78%	0.782	S	S	*	*			trans	68.5	108.8	153.3	34.1	0	0	0	0	121.3
25	E	33.8	Very low	37.5	Very low	191 Å²	191	109.6 Å²	109.6	89%	0.893	77%	0.773	S	S	*	*				59	140.8	123.6	-63.6	173.7	-174.9	0	0	121.2
26	G	29.8	Very low	40.1	Very low	82 Å²	82	101.1 Å²	101.1	85%	0.845	74%	0.737	S	S	*	*			trans	-169.7	-78.4	178.8	0	0	0	0	0	115.2
27	G	29.8	Very low	42.8	Very low	81 Å²	81	94.9 Å²	94.9	84%	0.835	71%	0.708	S	S	*	*			trans	82	168.5	-179.2	0	0	0	0	0	115.3
28	G	29.3	Very low	45.9	Very low	86 Å²	86	91 Å²	91	89%	0.887	67%	0.667	S	S	*	*			trans	93.9	103.5	-178.5	0	0	0	0	0	113
29	G	34.7	Very low	48.9	Very low	81 Å²	81	91.3 Å²	91.3	84%	0.835	65%	0.647	S	S	*	*			trans	-97.2	139.7	-175.6	0	0	0	0	0	114.2
30	E	34.1	Very low	51.9	Low	197 Å²	197	85.1 Å²	85.1	92%	0.921	61%	0.609	S	S	*	*			trans	-130	157.5	154.9	-80.9	-168.6	144	0	0	109.3	G32	E30-G32 PolarHBondContact O-N 3.5Å
31	G	44.9	Very low	54.6	Low	91 Å²	91	81.7 Å²	81.7	94%	0.938	58%	0.582	S	S	*	*			trans	-76.7	81.9	-170.5	0	0	0	0	0	114.2
32	G	38.2	Very low	57.2	Low	69 Å²	69	77.2 Å²	77.2	71%	0.711	55%	0.549	S	S	*	.			trans	-84.5	126.8	167.2	0	0	0	0	0	112.2	E30 G34	E30-G32 PolarHBondContact O-N 3.5Å; G32-G34 PolarHBondContact O-N 2.64Å; G32-G34 VanDerWaalsContact O-N 3.12Å
33	G	49.3	Very low	58.1	Low	48 Å²	48	74.7 Å²	74.7	50%	0.495	54%	0.543	S	S	.	.			trans	-64	107.3	166.2	0	0	0	0	0	109.7	V35	G33-V35 PolarHBondContact O-N 3.2Å
34	G	61.8	Low	60.3	Low	41 Å²	41	77.1 Å²	77.1	42%	0.423	55%	0.552	S	S	.	*			trans	-74.1	115.8	-178.5	0	0	0	0	0	110.5	G32 I36 A53	G32-G34 PolarHBondContact O-N 2.64Å; G32-G34 VanDerWaalsContact O-N 3.12Å; G34-I36 PolarHBondContact O-N 3.17Å; G34-A53 WeakPolarHBondContact O-CB 3.4Å; G34-A53 PolarHBondContact O-N 2.85Å
35	V	73.6	Confident	62.4	Low	87 Å²	87	73.7 Å²	73.7	53%	0.527	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.7	170.4	-178.3	0	0	0	0	108.4	G33 L50 L51	G33-V35 PolarHBondContact O-N 3.2Å; V35-L50 HydrophobicContact CG1-CB 3.86Å; V35-L50 HydrophobicContact CG1-CD2 3.8Å; V35-L50 HydrophobicContact CG1-CG 4.43Å; V35-L51 CarbonylContact C-O 3.52Å; V35-L51 WeakPolarHBondContact CA-O 3.34Å
36	I	83.5	Confident	65.1	Low	33 Å²	33	71 Å²	71	17%	0.169	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.3	174	-66	165.6	0	0	0	108.6	G34 F38 L50 L51 A53 L56 E109	G34-I36 PolarHBondContact O-N 3.17Å; I36-F38 HydrophobicContact CG2-CD1 4.23Å; I36-L50 WeakPolarHBondContact O-CA 3.35Å; I36-L51 PolarHBondContact N-O 2.8Å; I36-L51 PolarHBondContact O-N 2.83Å; I36-L51 VanDerWaalsContact O-N 3.1Å; I36-A53 HydrophobicContact CD1-CB 3.66Å; I36-A53 HydrophobicContact CG1-CB 4.12Å; I36-L56 HydrophobicContact CD1-CD2 4.02Å; I36-E109 WeakPolarHBondContact CA-OE2 3.35Å
37	S	87.3	Confident	67.8	Low	38 Å²	38	68.9 Å²	68.9	27%	0.266	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125	173.6	-163.5	0	0	0	0	110.1	V49 E109 G110	S37-V49 WeakPolarHBondContact CA-O 3.43Å; S37-E109 WeakPolarHBondContact CB-OE1 3.4Å; S37-E109 PolarHBondContact N-OE2 3.11Å; S37-G110 PolarHBondContact O-N 2.99Å
38	F	92.1	Very high	70.6	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.009	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	170.8	176.1	65.7	-79.8	0	0	0	110.2	I36 I40 V49 L51 V61 I107 D111 V113	I36-F38 HydrophobicContact CG2-CD1 4.23Å; F38-I40 HydrophobicContact CD2-CG1 4.2Å; F38-I40 HydrophobicContact CE2-CD1 3.98Å; F38-I40 HydrophobicContact CE2-CG1 3.68Å; F38-V49 HydrophobicContact CD1-CB 4.38Å; F38-V49 HydrophobicContact CD1-CG1 4.34Å; F38-V49 HydrophobicContact CE1-CB 4.07Å; F38-V49 HydrophobicContact CE1-CG1 3.59Å; F38-V49 HydrophobicContact CE2-CB 4.22Å; F38-V49 HydrophobicContact CE2-CG1 4.21Å; F38-V49 HydrophobicContact CZ-CB 3.98Å; F38-V49 HydrophobicContact CZ-CG1 3.52Å; F38-V49 PolarHBondContact N-O 2.7Å; F38-V49 PolarHBondContact O-N 3.34Å; F38-L51 HydrophobicContact CE1-CD1 4Å; F38-L51 HydrophobicContact CE1-CG 4.39Å; F38-L51 HydrophobicContact CZ-CD1 4.02Å; F38-V61 HydrophobicContact CE2-CG1 4.04Å; F38-V61 HydrophobicContact CZ-CG1 3.99Å; F38-V61 HydrophobicContact CZ-CG2 4.25Å; F38-I107 HydrophobicContact CB-CG2 4.04Å; F38-I107 HydrophobicContact CD1-CG2 4Å; F38-I107 HydrophobicContact CD2-CG2 4.06Å; F38-I107 HydrophobicContact CE1-CG2 4.45Å; F38-I107 HydrophobicContact CE2-CD1 4.4Å; F38-I107 HydrophobicContact CE2-CG2 4.49Å; F38-I107 HydrophobicContact CG-CG2 3.78Å; F38-I107 HydrophobicContact CZ-CD1 4.43Å; F38-D111 HydrophobicContact CB-CB 4.47Å; F38-D111 WeakPolarHBondContact CB-O 3.49Å; F38-V113 HydrophobicContact CD2-CB 4.25Å; F38-V113 HydrophobicContact CD2-CG2 3.83Å; F38-V113 HydrophobicContact CE2-CB 4.43Å; F38-V113 HydrophobicContact CE2-CG2 4.23Å
39	Q	91.1	Very high	73.4	Confident	86 Å²	86	66.1 Å²	66.1	40%	0.402	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.3	178.1	-66.5	-174.3	12.3	0	0	111	E47 D111 L112 V113	Q39-E47 WeakPolarHBondContact CA-O 3.47Å; Q39-D111 PolarHBondContact N-O 3.17Å; Q39-L112 HydrophobicContact CB-CD1 3.65Å; Q39-V113 PolarHBondContact O-N 3.2Å
40	I	92.4	Very high	75.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.4	167.6	-65.3	-173.8	0	0	0	109.8	F38 I42 R46 E47 V49 V61 V64 A65 I68 V113 A115	F38-I40 HydrophobicContact CD2-CG1 4.2Å; F38-I40 HydrophobicContact CE2-CD1 3.98Å; F38-I40 HydrophobicContact CE2-CG1 3.68Å; I40-I42 HydrophobicContact CG2-CD1 3.86Å; I40-I42 HydrophobicContact CG2-CG1 4.05Å; I40-R46 WeakPolarHBondContact O-CA 3.49Å; I40-E47 PolarHBondContact N-O 2.86Å; I40-E47 PolarHBondContact O-N 3.09Å; I40-V49 HydrophobicContact CB-CG2 4.28Å; I40-V49 HydrophobicContact CD1-CG2 3.82Å; I40-V49 HydrophobicContact CG1-CG2 3.79Å; I40-V61 HydrophobicContact CD1-CG1 4.17Å; I40-V64 HydrophobicContact CD1-CG1 4.19Å; I40-A65 HydrophobicContact CD1-CB 4.33Å; I40-I68 HydrophobicContact CB-CD1 4.15Å; I40-I68 HydrophobicContact CD1-CD1 4.3Å; I40-I68 HydrophobicContact CG2-CD1 4.37Å; I40-V113 CarbonylContact C-O 3.56Å; I40-V113 VanDerWaalsContact CA-O 3.24Å; I40-V113 WeakPolarHBondContact CA-O 3.34Å; I40-A115 HydrophobicContact CG2-CB 4.21Å
41	Q	88.7	Confident	78.2	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.103	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.6	170.6	-176.7	167.4	-72.7	0	0	110.7	G43 S45 R46 L112 V113 E114 A115	Q41-G43 WeakPolarHBondContact CG-O 3.48Å; Q41-S45 WeakPolarHBondContact CA-O 3.49Å; Q41-R46 HydrophobicContact CB-CG 4.22Å; Q41-R46 HydrophobicContact CG-CG 4.25Å; Q41-R46 VanDerWaalsContact OE1-CZ 3.23Å; Q41-L112 HydrophobicContact CB-CD1 4.06Å; Q41-V113 PolarHBondContact N-O 3.03Å; Q41-E114 HydrophobicContact CB-CB 4.28Å; Q41-E114 HydrophobicContact CB-CG 4.27Å; Q41-E114 HydrophobicContact CG-CG 4.36Å; Q41-E114 PolarHBondContact NE2-OE1 3.15Å; Q41-E114 PolarHBondContact NE2-OE2 3.14Å; Q41-E114 WeakPolarHBondContact O-CA 3.32Å; Q41-A115 PolarHBondContact O-N 2.9Å
42	I	84.9	Confident	79.9	Confident	24 Å²	24	58.5 Å²	58.5	12%	0.123	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	100.4	173.8	-70.4	147.7	0	0	0	107	I40 M44 S45 I68 I69 L73 A115	I40-I42 HydrophobicContact CG2-CD1 3.86Å; I40-I42 HydrophobicContact CG2-CG1 4.05Å; I42-M44 PolarHBondContact O-N 3.22Å; I42-M44 VanDerWaalsContact O-N 3.15Å; I42-S45 PolarHBondContact N-O 2.99Å; I42-S45 PolarHBondContact O-N 3.21Å; I42-I68 HydrophobicContact CD1-CB 3.86Å; I42-I68 HydrophobicContact CD1-CG2 3.42Å; I42-I68 VanDerWaalsContact CD1-CG2 3.42Å; I42-I69 HydrophobicContact CD1-CD1 4.43Å; I42-I69 HydrophobicContact CD1-CG1 3.68Å; I42-I69 HydrophobicContact CG1-CG1 4.08Å; I42-I69 HydrophobicContact CG2-CG1 4.01Å; I42-L73 HydrophobicContact CG2-CD1 4.32Å; I42-A115 HydrophobicContact CG1-CB 3.98Å
43	G	79.6	Confident	81.5	Confident	55 Å²	55	57.5 Å²	57.5	57%	0.567	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-117	-170.4	0	0	0	0	0	110.9	Q41	Q41-G43 WeakPolarHBondContact CG-O 3.48Å
44	M	75.6	Confident	82.3	Confident	194 Å²	194	59.4 Å²	59.4	96%	0.956	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.4	176.6	-56.3	-164.7	-53.8	0	0	114.4	I42	I42-M44 PolarHBondContact O-N 3.22Å; I42-M44 VanDerWaalsContact O-N 3.15Å
45	S	76.8	Confident	82.3	Confident	40 Å²	40	63.3 Å²	63.3	28%	0.28	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.9	177.1	-144.9	0	0	0	0	110.3	Q41 I42 E47	Q41-S45 WeakPolarHBondContact CA-O 3.49Å; I42-S45 PolarHBondContact N-O 2.99Å; I42-S45 PolarHBondContact O-N 3.21Å; S45-E47 PolarHBondContact OG-OE1 2.73Å
46	R	89.1	Confident	82.3	Confident	133 Å²	133	60.5 Å²	60.5	50%	0.502	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.7	170.3	-68.5	-177.2	-179.5	175.2	-1.3	109	I40 Q41 L112	I40-R46 WeakPolarHBondContact O-CA 3.49Å; Q41-R46 HydrophobicContact CB-CG 4.22Å; Q41-R46 HydrophobicContact CG-CG 4.25Å; Q41-R46 VanDerWaalsContact OE1-CZ 3.23Å; R46-L112 HydrophobicContact CG-CD1 4.41Å
47	E	87.8	Confident	82.3	Confident	38 Å²	38	62 Å²	62	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.9	176.2	-47.4	-53.3	135.8	0	0	110.6	Q39 I40 S45 I68 K72	Q39-E47 WeakPolarHBondContact CA-O 3.47Å; I40-E47 PolarHBondContact N-O 2.86Å; I40-E47 PolarHBondContact O-N 3.09Å; S45-E47 PolarHBondContact OG-OE1 2.73Å; E47-I68 HydrophobicContact CB-CD1 4.02Å; E47-I68 HydrophobicContact CB-CG1 4.4Å; E47-I68 HydrophobicContact CB-CG2 4.4Å; E47-I68 HydrophobicContact CG-CD1 4.25Å; E47-I68 HydrophobicContact CG-CG1 4.25Å; E47-I68 HydrophobicContact CG-CG2 3.46Å; E47-I68 VanDerWaalsContact CG-CG2 3.46Å; E47-K72 VanDerWaalsContact CD-CE 3.41Å; E47-K72 VanDerWaalsContact OE1-CE 3.3Å; E47-K72 WeakPolarHBondContact OE1-CE 3.47Å; E47-K72 IonicContact OE1-NZ 3.88Å; E47-K72 PolarHBondContact OE1-NZ 2.79Å; E47-K72 VanDerWaalsContact OE2-CE 3.26Å; E47-K72 WeakPolarHBondContact OE2-CE 3.46Å; E47-K72 IonicContact OE2-NZ 3.91Å; E47-K72 PolarHBondContact OE2-NZ 3.38Å
48	P	88.9	Confident	82.1	Confident	101 Å²	101	61.3 Å²	61.3	66%	0.656	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.7	169.4	31.4	-33.5	0	0	0	110.3
49	V	87.8	Confident	81.6	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.048	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134	178.8	174.2	0	0	0	0	108.8	S37 F38 I40 L51 V64 I68	S37-V49 WeakPolarHBondContact CA-O 3.43Å; F38-V49 HydrophobicContact CD1-CB 4.38Å; F38-V49 HydrophobicContact CD1-CG1 4.34Å; F38-V49 HydrophobicContact CE1-CB 4.07Å; F38-V49 HydrophobicContact CE1-CG1 3.59Å; F38-V49 HydrophobicContact CE2-CB 4.22Å; F38-V49 HydrophobicContact CE2-CG1 4.21Å; F38-V49 HydrophobicContact CZ-CB 3.98Å; F38-V49 HydrophobicContact CZ-CG1 3.52Å; F38-V49 PolarHBondContact N-O 2.7Å; F38-V49 PolarHBondContact O-N 3.34Å; I40-V49 HydrophobicContact CB-CG2 4.28Å; I40-V49 HydrophobicContact CD1-CG2 3.82Å; I40-V49 HydrophobicContact CG1-CG2 3.79Å; V49-L51 HydrophobicContact CG1-CD1 4.1Å; V49-L51 HydrophobicContact CG1-CG 3.93Å; V49-V64 HydrophobicContact CB-CG1 4.45Å; V49-V64 HydrophobicContact CG1-CG1 3.86Å; V49-V64 HydrophobicContact CG2-CG1 3.67Å; V49-I68 HydrophobicContact CG2-CD1 3.98Å
50	L	86.7	Confident	81.1	Confident	116 Å²	116	62.6 Å²	62.6	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	120.7	176.1	-69.8	163.7	0	0	0	107.7	V35 I36	V35-L50 HydrophobicContact CG1-CB 3.86Å; V35-L50 HydrophobicContact CG1-CD2 3.8Å; V35-L50 HydrophobicContact CG1-CG 4.43Å; I36-L50 WeakPolarHBondContact O-CA 3.35Å
51	L	83	Confident	80.8	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.147	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148	177.3	-71.4	174.7	0	0	0	110.7	V35 I36 F38 V49 L56 V61 V64	V35-L51 CarbonylContact C-O 3.52Å; V35-L51 WeakPolarHBondContact CA-O 3.34Å; I36-L51 PolarHBondContact N-O 2.8Å; I36-L51 PolarHBondContact O-N 2.83Å; I36-L51 VanDerWaalsContact O-N 3.1Å; F38-L51 HydrophobicContact CE1-CD1 4Å; F38-L51 HydrophobicContact CE1-CG 4.39Å; F38-L51 HydrophobicContact CZ-CD1 4.02Å; V49-L51 HydrophobicContact CG1-CD1 4.1Å; V49-L51 HydrophobicContact CG1-CG 3.93Å; L51-L56 HydrophobicContact CB-CD1 3.77Å; L51-L56 HydrophobicContact CD1-CD1 3.84Å; L51-L56 HydrophobicContact CG-CD1 4.47Å; L51-V61 HydrophobicContact CD1-CG2 3.93Å; L51-V64 HydrophobicContact CD2-CG2 4.23Å
52	D	79.9	Confident	80.6	Confident	66 Å²	66	64.5 Å²	64.5	35%	0.353	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.4	174.7	-166.4	-30.7	0	0	0	110.4	A54 E55 L56	D52-A54 PolarHBondContact O-N 3.1Å; D52-A54 VanDerWaalsContact O-N 3.15Å; D52-A54 VanDerWaalsContact OD1-CB 3.29Å; D52-A54 WeakPolarHBondContact OD1-CB 3.49Å; D52-A54 PolarHBondContact OD1-N 3.08Å; D52-E55 PolarHBondContact O-N 3.33Å; D52-E55 VanDerWaalsContact O-N 3.08Å; D52-L56 PolarHBondContact O-N 3.08Å
53	A	70.6	Confident	80.5	Confident	48 Å²	48	69.7 Å²	69.7	40%	0.397	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.1	175.3	0	0	0	0	0	113.3	G34 I36	G34-A53 WeakPolarHBondContact O-CB 3.4Å; G34-A53 PolarHBondContact O-N 2.85Å; I36-A53 HydrophobicContact CD1-CB 3.66Å; I36-A53 HydrophobicContact CG1-CB 4.12Å
54	A	67.8	Low	80.7	Confident	87 Å²	87	69 Å²	69	72%	0.719	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.5	177	0	0	0	0	0	113.5	D52	D52-A54 PolarHBondContact O-N 3.1Å; D52-A54 VanDerWaalsContact O-N 3.15Å; D52-A54 VanDerWaalsContact OD1-CB 3.29Å; D52-A54 WeakPolarHBondContact OD1-CB 3.49Å; D52-A54 PolarHBondContact OD1-N 3.08Å
55	E	60.9	Low	81.1	Confident	124 Å²	124	59.7 Å²	59.7	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-17.6	177.1	-62.9	-161.3	170.3	0	0	113.7	D52 N57 Q60	D52-E55 PolarHBondContact O-N 3.33Å; D52-E55 VanDerWaalsContact O-N 3.08Å; E55-N57 PolarHBondContact O-N 3.15Å; E55-N57 PolarHBondContact O-ND2 3.31Å; E55-Q60 PolarHBondContact O-OE1 3.15Å; E55-Q60 PolarHBondContact OE2-NE2 3.43Å
56	L	74.8	Confident	81.1	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.141	32%	0.32	C	S	.	.			trans	-47.8	101.8	-166.4	-168.6	82.3	0	0	0	114.1	I36 L51 D52 V61 A104	I36-L56 HydrophobicContact CD1-CD2 4.02Å; L51-L56 HydrophobicContact CB-CD1 3.77Å; L51-L56 HydrophobicContact CD1-CD1 3.84Å; L51-L56 HydrophobicContact CG-CD1 4.47Å; D52-L56 PolarHBondContact O-N 3.08Å; L56-V61 HydrophobicContact CD1-CG2 4.34Å; L56-A104 HydrophobicContact CD2-CB 4.17Å; L56-A104 WeakPolarHBondContact CD2-O 3.29Å; L56-A104 HydrophobicContact CG-CB 3.94Å
57	N	82.9	Confident	80.6	Confident	64 Å²	64	56 Å²	56	34%	0.342	32%	0.321	S	S	.	.			trans	-133.9	155.5	177.8	70.4	80.9	0	0	0	112	E55 S59 Q60 V61	E55-N57 PolarHBondContact O-N 3.15Å; E55-N57 PolarHBondContact O-ND2 3.31Å; N57-S59 PolarHBondContact O-N 3.02Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-S59 WeakPolarHBondContact OD1-CA 3.34Å; N57-S59 WeakPolarHBondContact OD1-CB 3.5Å; N57-S59 PolarHBondContact OD1-N 3.29Å; N57-Q60 VanDerWaalsContact ND2-CD 3.26Å; N57-Q60 WeakPolarHBondContact ND2-CG 3.47Å; N57-Q60 PolarHBondContact ND2-OE1 3.2Å; N57-Q60 PolarHBondContact O-N 2.97Å; N57-Q60 PolarHBondContact OD1-N 2.87Å; N57-V61 PolarHBondContact O-N 3.42Å; N57-V61 VanDerWaalsContact O-N 3.13Å
58	L	83.4	Confident	80.2	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-20.8	-175.2	-71.1	-179.7	0	0	0	113.4	R62 L87 L101 R102 A104	L58-R62 WeakPolarHBondContact O-CB 3.46Å; L58-R62 VanDerWaalsContact O-CG 3.28Å; L58-R62 WeakPolarHBondContact O-CG 3.23Å; L58-R62 PolarHBondContact O-N 2.86Å; L58-R62 VanDerWaalsContact O-N 3.08Å; L58-L87 HydrophobicContact CD2-CD1 4.13Å; L58-L101 HydrophobicContact CD2-CB 4.18Å; L58-R102 WeakPolarHBondContact CD1-O 3.49Å; L58-A104 HydrophobicContact CD2-CB 3.86Å; L58-A104 HydrophobicContact CG-CB 4.05Å
59	S	80.1	Confident	79.5	Confident	72 Å²	72	50.6 Å²	50.6	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-70.1	-46.7	174.9	-157.8	0	0	0	0	110.6	N57 V61 R62 E63	N57-S59 PolarHBondContact O-N 3.02Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-S59 WeakPolarHBondContact OD1-CA 3.34Å; N57-S59 WeakPolarHBondContact OD1-CB 3.5Å; N57-S59 PolarHBondContact OD1-N 3.29Å; S59-V61 PolarHBondContact O-N 3.16Å; S59-R62 PolarHBondContact O-N 3.49Å; S59-E63 WeakPolarHBondContact O-CB 3.23Å; S59-E63 PolarHBondContact O-N 2.61Å
60	Q	81.3	Confident	78.7	Confident	43 Å²	43	53.7 Å²	53.7	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-43.9	173.4	-78.8	178.5	-17.2	0	0	112.1	E55 N57 R62 E63 V64	E55-Q60 PolarHBondContact O-OE1 3.15Å; E55-Q60 PolarHBondContact OE2-NE2 3.43Å; N57-Q60 VanDerWaalsContact ND2-CD 3.26Å; N57-Q60 WeakPolarHBondContact ND2-CG 3.47Å; N57-Q60 PolarHBondContact ND2-OE1 3.2Å; N57-Q60 PolarHBondContact O-N 2.97Å; N57-Q60 PolarHBondContact OD1-N 2.87Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3Å; Q60-E63 WeakPolarHBondContact O-CB 3.45Å; Q60-E63 PolarHBondContact O-N 3.33Å; Q60-E63 VanDerWaalsContact O-N 3.13Å; Q60-V64 WeakPolarHBondContact O-CG2 3.24Å; Q60-V64 PolarHBondContact O-N 2.86Å
61	V	85.4	Confident	77.9	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-38.2	179.1	-175.4	0	0	0	0	111.4	F38 I40 L51 L56 N57 S59 A65 L87 I107	F38-V61 HydrophobicContact CE2-CG1 4.04Å; F38-V61 HydrophobicContact CZ-CG1 3.99Å; F38-V61 HydrophobicContact CZ-CG2 4.25Å; I40-V61 HydrophobicContact CD1-CG1 4.17Å; L51-V61 HydrophobicContact CD1-CG2 3.93Å; L56-V61 HydrophobicContact CD1-CG2 4.34Å; N57-V61 PolarHBondContact O-N 3.42Å; N57-V61 VanDerWaalsContact O-N 3.13Å; S59-V61 PolarHBondContact O-N 3.16Å; V61-A65 PolarHBondContact O-N 3.02Å; V61-L87 HydrophobicContact CB-CD1 3.89Å; V61-L87 HydrophobicContact CG1-CD1 3.58Å; V61-L87 HydrophobicContact CG1-CD2 4.47Å; V61-I107 HydrophobicContact CG1-CD1 4.21Å; V61-I107 HydrophobicContact CG2-CD1 3.96Å
62	R	86.4	Confident	77.2	Confident	62 Å²	62	58 Å²	58	23%	0.234	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-34.8	171.9	-69.9	-173.9	-165.5	113.4	-5.3	112.8	L58 S59 Q60 A65 C66 Y82 I85 L87	L58-R62 WeakPolarHBondContact O-CB 3.46Å; L58-R62 VanDerWaalsContact O-CG 3.28Å; L58-R62 WeakPolarHBondContact O-CG 3.23Å; L58-R62 PolarHBondContact O-N 2.86Å; L58-R62 VanDerWaalsContact O-N 3.08Å; S59-R62 PolarHBondContact O-N 3.49Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3Å; R62-A65 PolarHBondContact O-N 3.46Å; R62-C66 WeakPolarHBondContact O-CB 3.37Å; R62-C66 PolarHBondContact O-N 3.45Å; R62-C66 PolarHBondContact O-SG 2.98Å; R62-C66 VanDerWaalsContact O-SG 3.41Å; R62-Y82 WeakPolarHBondContact CD-O 3.47Å; R62-I85 VanDerWaalsContact CD-O 3.29Å; R62-I85 WeakPolarHBondContact CD-O 3.47Å; R62-I85 HydrophobicContact CG-CB 4.34Å; R62-I85 HydrophobicContact CG-CG2 4.37Å; R62-I85 PolarHBondContact NE-O 3.45Å; R62-L87 HydrophobicContact CG-CD1 3.68Å; R62-L87 HydrophobicContact CG-CG 4.11Å
63	E	81.4	Confident	76.4	Confident	133 Å²	133	58.5 Å²	58.5	62%	0.621	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-41.6	175.4	-174.5	172	-165.2	0	0	111.7	S59 Q60 C66 S67	S59-E63 WeakPolarHBondContact O-CB 3.23Å; S59-E63 PolarHBondContact O-N 2.61Å; Q60-E63 WeakPolarHBondContact O-CB 3.45Å; Q60-E63 PolarHBondContact O-N 3.33Å; Q60-E63 VanDerWaalsContact O-N 3.13Å; E63-C66 WeakPolarHBondContact O-CB 3.35Å; E63-C66 PolarHBondContact O-N 2.88Å; E63-S67 WeakPolarHBondContact O-CB 3.35Å; E63-S67 PolarHBondContact O-N 2.9Å
64	V	84.1	Confident	75.8	Confident	39 Å²	39	59.8 Å²	59.8	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-44.3	171.3	174.4	0	0	0	0	110.9	I40 V49 L51 Q60 C66 S67 I68	I40-V64 HydrophobicContact CD1-CG1 4.19Å; V49-V64 HydrophobicContact CB-CG1 4.45Å; V49-V64 HydrophobicContact CG1-CG1 3.86Å; V49-V64 HydrophobicContact CG2-CG1 3.67Å; L51-V64 HydrophobicContact CD2-CG2 4.23Å; Q60-V64 WeakPolarHBondContact O-CG2 3.24Å; Q60-V64 PolarHBondContact O-N 2.86Å; V64-C66 PolarHBondContact O-N 2.86Å; V64-S67 WeakPolarHBondContact O-CB 3.47Å; V64-S67 PolarHBondContact O-N 2.94Å; V64-S67 VanDerWaalsContact O-N 3.15Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.45Å; V64-I68 WeakPolarHBondContact O-CG1 3.26Å; V64-I68 PolarHBondContact O-N 3.24Å
65	A	84.3	Confident	74.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-47.3	173.7	0	0	0	0	0	111.8	I40 V61 R62 S67 I68 I69 A115	I40-A65 HydrophobicContact CD1-CB 4.33Å; V61-A65 PolarHBondContact O-N 3.02Å; R62-A65 PolarHBondContact O-N 3.46Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 2.78Å; A65-I68 PolarHBondContact O-N 2.9Å; A65-I69 WeakPolarHBondContact O-CB 3.41Å; A65-I69 WeakPolarHBondContact O-CD1 3.3Å; A65-I69 WeakPolarHBondContact O-CG1 3.28Å; A65-I69 PolarHBondContact O-N 2.91Å; A65-A115 HydrophobicContact CB-CB 4.11Å
66	C	77.1	Confident	74.4	Confident	18 Å²	18	59.4 Å²	59.4	12%	0.122	31%	0.314	C	S	.	.	H	α-helix	trans	-56	-41.8	172.6	-79	0	0	0	0	112.6	R62 E63 V64 I69 N70 I85	R62-C66 WeakPolarHBondContact O-CB 3.37Å; R62-C66 PolarHBondContact O-N 3.45Å; R62-C66 PolarHBondContact O-SG 2.98Å; R62-C66 VanDerWaalsContact O-SG 3.41Å; E63-C66 WeakPolarHBondContact O-CB 3.35Å; E63-C66 PolarHBondContact O-N 2.88Å; V64-C66 PolarHBondContact O-N 2.86Å; C66-I69 PolarHBondContact O-N 3.26Å; C66-N70 WeakPolarHBondContact O-CB 3.42Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 PolarHBondContact O-ND2 3.21Å; C66-I85 WeakPolarHBondContact SG-CD1 3.36Å
67	S	78.5	Confident	73.4	Confident	76 Å²	76	59.7 Å²	59.7	53%	0.531	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-47.8	178.1	-169.9	0	0	0	0	111.5	E63 V64 A65 I69 N70 Q71	E63-S67 WeakPolarHBondContact O-CB 3.35Å; E63-S67 PolarHBondContact O-N 2.9Å; V64-S67 WeakPolarHBondContact O-CB 3.47Å; V64-S67 PolarHBondContact O-N 2.94Å; V64-S67 VanDerWaalsContact O-N 3.15Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 2.78Å; S67-I69 PolarHBondContact O-N 3.3Å; S67-N70 PolarHBondContact O-N 3.34Å; S67-Q71 WeakPolarHBondContact O-CB 3.38Å; S67-Q71 PolarHBondContact O-N 3.34Å
68	I	79.8	Confident	72.1	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-47.4	175.6	-66	161.2	0	0	0	110.8	I40 I42 E47 V49 V64 A65 N70 Q71 K72	I40-I68 HydrophobicContact CB-CD1 4.15Å; I40-I68 HydrophobicContact CD1-CD1 4.3Å; I40-I68 HydrophobicContact CG2-CD1 4.37Å; I42-I68 HydrophobicContact CD1-CB 3.86Å; I42-I68 HydrophobicContact CD1-CG2 3.42Å; I42-I68 VanDerWaalsContact CD1-CG2 3.42Å; E47-I68 HydrophobicContact CB-CD1 4.02Å; E47-I68 HydrophobicContact CB-CG1 4.4Å; E47-I68 HydrophobicContact CB-CG2 4.4Å; E47-I68 HydrophobicContact CG-CD1 4.25Å; E47-I68 HydrophobicContact CG-CG1 4.25Å; E47-I68 HydrophobicContact CG-CG2 3.46Å; E47-I68 VanDerWaalsContact CG-CG2 3.46Å; V49-I68 HydrophobicContact CG2-CD1 3.98Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.45Å; V64-I68 WeakPolarHBondContact O-CG1 3.26Å; V64-I68 PolarHBondContact O-N 3.24Å; A65-I68 PolarHBondContact O-N 2.9Å; I68-N70 PolarHBondContact O-N 2.7Å; I68-Q71 PolarHBondContact O-N 3.04Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; I68-K72 HydrophobicContact CG2-CG 3.99Å; I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.11Å
69	I	74.1	Confident	70.4	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.072	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-49	179.4	-66.1	161.8	0	0	0	110.4	I42 A65 C66 S67 Q71 K72 L73 F78 I85	I42-I69 HydrophobicContact CD1-CD1 4.43Å; I42-I69 HydrophobicContact CD1-CG1 3.68Å; I42-I69 HydrophobicContact CG1-CG1 4.08Å; I42-I69 HydrophobicContact CG2-CG1 4.01Å; A65-I69 WeakPolarHBondContact O-CB 3.41Å; A65-I69 WeakPolarHBondContact O-CD1 3.3Å; A65-I69 WeakPolarHBondContact O-CG1 3.28Å; A65-I69 PolarHBondContact O-N 2.91Å; C66-I69 PolarHBondContact O-N 3.26Å; S67-I69 PolarHBondContact O-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.21Å; I69-K72 PolarHBondContact O-N 2.86Å; I69-L73 HydrophobicContact CG2-CD1 4.5Å; I69-L73 WeakPolarHBondContact O-CA 3.42Å; I69-L73 PolarHBondContact O-N 3.32Å; I69-F78 HydrophobicContact CB-CD2 4.48Å; I69-F78 HydrophobicContact CG2-CD2 3.31Å; I69-F78 HydrophobicContact CG2-CE2 3.25Å; I69-F78 HydrophobicContact CG2-CG 4.31Å; I69-F78 HydrophobicContact CG2-CZ 4.21Å; I69-I85 HydrophobicContact CD1-CD1 4.01Å
70	N	69.9	Low	69.1	Low	73 Å²	73	66.6 Å²	66.6	39%	0.39	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-24.4	178.1	-76.9	-65.4	0	0	0	113.3	C66 S67 I68	C66-N70 WeakPolarHBondContact O-CB 3.42Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 PolarHBondContact O-ND2 3.21Å; S67-N70 PolarHBondContact O-N 3.34Å; I68-N70 PolarHBondContact O-N 2.7Å
71	Q	70.9	Confident	68.2	Low	144 Å²	144	64.7 Å²	64.7	67%	0.673	34%	0.343	S	S	*	.	H	α-helix	trans	-83.6	-37.3	175.5	-171.9	-178.7	8.8	0	0	113.1	S67 I68 I69	S67-Q71 WeakPolarHBondContact O-CB 3.38Å; S67-Q71 PolarHBondContact O-N 3.34Å; I68-Q71 PolarHBondContact O-N 3.04Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; I69-Q71 PolarHBondContact O-N 3.21Å
72	K	67.8	Low	67.2	Low	89 Å²	89	70.5 Å²	70.5	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-96	-25.8	-171.8	-64.7	-75.4	174.6	135.6	0	113.8	E47 I68 I69 P74	E47-K72 VanDerWaalsContact CD-CE 3.41Å; E47-K72 VanDerWaalsContact OE1-CE 3.3Å; E47-K72 WeakPolarHBondContact OE1-CE 3.47Å; E47-K72 IonicContact OE1-NZ 3.88Å; E47-K72 PolarHBondContact OE1-NZ 2.79Å; E47-K72 VanDerWaalsContact OE2-CE 3.26Å; E47-K72 WeakPolarHBondContact OE2-CE 3.46Å; E47-K72 IonicContact OE2-NZ 3.91Å; E47-K72 PolarHBondContact OE2-NZ 3.38Å; I68-K72 HydrophobicContact CG2-CG 3.99Å; I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.11Å; I69-K72 PolarHBondContact O-N 2.86Å; K72-P74 VanDerWaalsContact C-CD 3.41Å
73	L	64.1	Low	66.2	Low	77 Å²	77	74.3 Å²	74.3	40%	0.403	39%	0.386	S	S	.	.			trans	-128.7	57.3	179.9	-60.7	172.9	0	0	0	110.6	I42 I69 E75 C76	I42-L73 HydrophobicContact CG2-CD1 4.32Å; I69-L73 HydrophobicContact CG2-CD1 4.5Å; I69-L73 WeakPolarHBondContact O-CA 3.42Å; I69-L73 PolarHBondContact O-N 3.32Å; L73-E75 PolarHBondContact O-N 3.02Å; L73-E75 VanDerWaalsContact O-N 3.08Å; L73-C76 HydrophobicContact CB-CB 4.39Å; L73-C76 PolarHBondContact O-N 3.24Å
74	P	56	Low	65.8	Low	76 Å²	76	70.7 Å²	70.7	49%	0.494	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.1	-173	28.2	-37.9	0	0	0	115.3	K72 C76	K72-P74 VanDerWaalsContact C-CD 3.41Å; P74-C76 VanDerWaalsContact C-N 3.32Å
75	E	46.7	Very low	65.7	Low	149 Å²	149	69 Å²	69	70%	0.696	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-19	167.9	34.1	-77.7	110.7	0	0	113.8	L73	L73-E75 PolarHBondContact O-N 3.02Å; L73-E75 VanDerWaalsContact O-N 3.08Å
76	C	53.7	Low	65.8	Low	53 Å²	53	71.5 Å²	71.5	36%	0.358	37%	0.371	S	S	.	.	S	Bend	trans	-106.4	87.8	176.6	-62.9	0	0	0	0	109.7	L73 P74 F78	L73-C76 HydrophobicContact CB-CB 4.39Å; L73-C76 PolarHBondContact O-N 3.24Å; P74-C76 VanDerWaalsContact C-N 3.32Å; C76-F78 HydrophobicContact CB-CD2 4.4Å; C76-F78 HydrophobicContact CB-CE2 3.58Å; C76-F78 HydrophobicContact CB-CZ 4.21Å; C76-F78 WeakPolarHBondContact O-CD2 3.44Å; C76-F78 VanDerWaalsContact O-CE2 3.23Å; C76-F78 WeakPolarHBondContact O-CE2 3.38Å; C76-F78 PolarHBondContact O-N 3.1Å
77	G	53	Low	66.4	Low	34 Å²	34	70.8 Å²	70.8	35%	0.351	37%	0.366	S	S	.	.			trans	-78.3	116.3	179	0	0	0	0	0	112.5
78	F	55.6	Low	67	Low	31 Å²	31	69 Å²	69	14%	0.136	35%	0.349	C	S	.	.			trans	-100.6	108	178.8	-67.3	-95.3	0	0	0	110.8	I69 C76 M81 L117 F126	I69-F78 HydrophobicContact CB-CD2 4.48Å; I69-F78 HydrophobicContact CG2-CD2 3.31Å; I69-F78 HydrophobicContact CG2-CE2 3.25Å; I69-F78 HydrophobicContact CG2-CG 4.31Å; I69-F78 HydrophobicContact CG2-CZ 4.21Å; C76-F78 HydrophobicContact CB-CD2 4.4Å; C76-F78 HydrophobicContact CB-CE2 3.58Å; C76-F78 HydrophobicContact CB-CZ 4.21Å; C76-F78 WeakPolarHBondContact O-CD2 3.44Å; C76-F78 VanDerWaalsContact O-CE2 3.23Å; C76-F78 WeakPolarHBondContact O-CE2 3.38Å; C76-F78 PolarHBondContact O-N 3.1Å; F78-M81 HydrophobicContact CB-CB 4.21Å; F78-M81 HydrophobicContact CD1-CB 3.98Å; F78-M81 HydrophobicContact CD1-CE 4.18Å; F78-M81 HydrophobicContact CD1-CG 3.93Å; F78-M81 HydrophobicContact CE1-CE 4.24Å; F78-L117 HydrophobicContact CE1-CD1 4.47Å; F78-L117 HydrophobicContact CE1-CD2 4.28Å; F78-F126 HydrophobicContact CE1-CD1 4.31Å; F78-F126 AromaticContact CE1-CE1 3.72Å; F78-F126 HydrophobicContact CE1-CE1 3.72Å; F78-F126 HydrophobicContact CE1-CZ 4.41Å; F78-F126 HydrophobicContact CZ-CD1 4.42Å; F78-F126 AromaticContact CZ-CE1 3.8Å; F78-F126 HydrophobicContact CZ-CE1 3.8Å
79	Y	48.8	Very low	67.6	Low	220 Å²	220	70.4 Å²	70.4	86%	0.863	35%	0.354	S	S	*	.	S	Bend	trans	-123.9	137.2	174.1	-141.8	-103.2	0	0	0	109	M81	Y79-M81 PolarHBondContact O-N 3.23Å
80	G	52.5	Low	68.3	Low	54 Å²	54	71.7 Å²	71.7	56%	0.557	36%	0.359	S	S	*	.	S	Bend	trans	70.4	-16.1	-173.7	0	0	0	0	0	116.1	Y82	G80-Y82 PolarHBondContact O-N 3.1Å; G80-Y82 VanDerWaalsContact O-N 3.16Å
81	M	61.7	Low	69	Low	3 Å²	3	69.5 Å²	69.5	2%	0.015	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72	-2	-175.9	-74.6	-83	-135	0	0	115.8	F78 Y79 E83 K84 I85 L117 A121 D125 F126	F78-M81 HydrophobicContact CB-CB 4.21Å; F78-M81 HydrophobicContact CD1-CB 3.98Å; F78-M81 HydrophobicContact CD1-CE 4.18Å; F78-M81 HydrophobicContact CD1-CG 3.93Å; F78-M81 HydrophobicContact CE1-CE 4.24Å; Y79-M81 PolarHBondContact O-N 3.23Å; M81-E83 PolarHBondContact O-N 2.92Å; M81-E83 VanDerWaalsContact O-N 3.16Å; M81-K84 PolarHBondContact O-N 3.08Å; M81-K84 HydrophobicContact SD-CB 4.28Å; M81-K84 HydrophobicContact SD-CD 3.88Å; M81-I85 PolarHBondContact O-N 3.16Å; M81-L117 HydrophobicContact CE-CD1 4.35Å; M81-L117 HydrophobicContact CE-CD2 4.22Å; M81-L117 HydrophobicContact SD-CD1 4.1Å; M81-A121 HydrophobicContact CE-CB 4.01Å; M81-A121 HydrophobicContact SD-CB 4.15Å; M81-D125 HydrophobicContact CE-CB 3.38Å; M81-D125 HydrophobicContact SD-CB 3.71Å; M81-F126 HydrophobicContact CE-CD1 4.4Å; M81-F126 HydrophobicContact CE-CD2 4.09Å; M81-F126 HydrophobicContact CE-CE1 4.39Å; M81-F126 HydrophobicContact CE-CE2 4.07Å; M81-F126 HydrophobicContact CE-CG 4.28Å; M81-F126 HydrophobicContact CE-CZ 4.23Å
82	Y	64.9	Low	69.4	Low	122 Å²	122	71 Å²	71	48%	0.478	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-63.6	-23.7	-171.4	57.5	-92.2	0	0	0	113.8	R62 G80	R62-Y82 WeakPolarHBondContact CD-O 3.47Å; G80-Y82 PolarHBondContact O-N 3.1Å; G80-Y82 VanDerWaalsContact O-N 3.16Å
83	E	65.8	Low	69.9	Low	142 Å²	142	73 Å²	73	66%	0.664	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-84.6	-18.6	173.4	-51.5	-169.6	174.2	0	0	113	M81	M81-E83 PolarHBondContact O-N 2.92Å; M81-E83 VanDerWaalsContact O-N 3.16Å
84	K	72.6	Confident	70.7	Confident	57 Å²	57	71.4 Å²	71.4	25%	0.248	37%	0.369	C	S	.	.	S	Bend	trans	-88.8	-2.4	-179.2	-66.3	-178	173.8	-178.8	0	113.3	M81 L117 S118 S120 A121 D125	M81-K84 PolarHBondContact O-N 3.08Å; M81-K84 HydrophobicContact SD-CB 4.28Å; M81-K84 HydrophobicContact SD-CD 3.88Å; K84-L117 HydrophobicContact CB-CD1 4.28Å; K84-S118 VanDerWaalsContact O-CB 3.23Å; K84-S118 WeakPolarHBondContact O-CB 3.23Å; K84-S118 PolarHBondContact O-N 3.46Å; K84-S120 PolarHBondContact NZ-O 2.83Å; K84-A121 HydrophobicContact CD-CB 4.3Å; K84-D125 IonicContact NZ-OD1 2.68Å; K84-D125 PolarHBondContact NZ-OD1 3.36Å; K84-D125 IonicContact NZ-OD2 3.79Å; K84-D125 PolarHBondContact NZ-OD2 2.83Å
85	I	82.3	Confident	71.6	Confident	4 Å²	4	75.9 Å²	75.9	2%	0.021	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.8	172.3	-61.4	-179.6	0	0	0	110.1	R62 C66 I69 M81 L87 A115	R62-I85 VanDerWaalsContact CD-O 3.29Å; R62-I85 WeakPolarHBondContact CD-O 3.47Å; R62-I85 HydrophobicContact CG-CB 4.34Å; R62-I85 HydrophobicContact CG-CG2 4.37Å; R62-I85 PolarHBondContact NE-O 3.45Å; C66-I85 WeakPolarHBondContact SG-CD1 3.36Å; I69-I85 HydrophobicContact CD1-CD1 4.01Å; M81-I85 PolarHBondContact O-N 3.16Å; I85-L87 HydrophobicContact CG2-CD2 4.05Å; I85-L87 HydrophobicContact CG2-CG 4.49Å; I85-A115 HydrophobicContact CG2-CB 4.13Å
86	L	87.3	Confident	73.1	Confident	53 Å²	53	74.4 Å²	74.4	28%	0.277	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144	168.7	-56.3	179.3	0	0	0	109	F88 L100 I116	L86-F88 HydrophobicContact CB-CD2 4.27Å; L86-F88 HydrophobicContact CB-CE2 3.6Å; L86-F88 HydrophobicContact CB-CZ 4.4Å; L86-F88 HydrophobicContact CD1-CE2 4.23Å; L86-F88 HydrophobicContact CD1-CZ 4.38Å; L86-L100 HydrophobicContact CB-CD1 4.1Å; L86-L100 HydrophobicContact CD2-CD1 4.41Å; L86-I116 PolarHBondContact N-O 2.94Å; L86-I116 PolarHBondContact O-N 3.39Å
87	L	89.5	Confident	74.5	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.8	-179.1	-62.4	171.1	0	0	0	108.5	L58 V61 R62 I85 L101 V113 E114 A115	L58-L87 HydrophobicContact CD2-CD1 4.13Å; V61-L87 HydrophobicContact CB-CD1 3.89Å; V61-L87 HydrophobicContact CG1-CD1 3.58Å; V61-L87 HydrophobicContact CG1-CD2 4.47Å; R62-L87 HydrophobicContact CG-CD1 3.68Å; R62-L87 HydrophobicContact CG-CG 4.11Å; I85-L87 HydrophobicContact CG2-CD2 4.05Å; I85-L87 HydrophobicContact CG2-CG 4.49Å; L87-L101 HydrophobicContact CB-CB 4.35Å; L87-L101 HydrophobicContact CB-CD1 3.92Å; L87-L101 WeakPolarHBondContact O-CB 3.34Å; L87-L101 PolarHBondContact O-N 3.13Å; L87-V113 HydrophobicContact CB-CG1 4.01Å; L87-V113 HydrophobicContact CD2-CG1 4.21Å; L87-E114 WeakPolarHBondContact CA-O 3.28Å; L87-A115 HydrophobicContact CD2-CB 3.94Å
88	F	91.1	Very high	76.1	Confident	38 Å²	38	79 Å²	79	17%	0.167	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.6	-177.5	-69.5	-97.3	0	0	0	110.6	L86 L98 Q99 L100 V113 E114 I116	L86-F88 HydrophobicContact CB-CD2 4.27Å; L86-F88 HydrophobicContact CB-CE2 3.6Å; L86-F88 HydrophobicContact CB-CZ 4.4Å; L86-F88 HydrophobicContact CD1-CE2 4.23Å; L86-F88 HydrophobicContact CD1-CZ 4.38Å; F88-L98 HydrophobicContact CB-CB 4.3Å; F88-L98 HydrophobicContact CB-CD2 4.34Å; F88-L98 HydrophobicContact CD1-CB 4Å; F88-L98 HydrophobicContact CG-CB 4.45Å; F88-Q99 CarbonylContact C-O 3.56Å; F88-Q99 WeakPolarHBondContact CA-O 3.48Å; F88-L100 HydrophobicContact CD1-CB 4.01Å; F88-L100 HydrophobicContact CD1-CD1 4.38Å; F88-L100 HydrophobicContact CD2-CD1 4.42Å; F88-L100 HydrophobicContact CE1-CB 3.76Å; F88-L100 HydrophobicContact CE1-CD1 4.02Å; F88-L100 HydrophobicContact CE1-CG 4.43Å; F88-L100 HydrophobicContact CE2-CD1 4.06Å; F88-L100 HydrophobicContact CZ-CB 4.42Å; F88-L100 HydrophobicContact CZ-CD1 3.85Å; F88-V113 CarbonylContact O-C 3.38Å; F88-V113 WeakPolarHBondContact O-CA 3.42Å; F88-E114 PolarHBondContact N-O 3.28Å; F88-E114 PolarHBondContact O-N 3.17Å; F88-I116 HydrophobicContact CD2-CB 4.16Å; F88-I116 HydrophobicContact CD2-CD1 3.66Å; F88-I116 HydrophobicContact CD2-CG1 3.93Å; F88-I116 HydrophobicContact CE2-CB 4.07Å; F88-I116 HydrophobicContact CE2-CD1 3.91Å; F88-I116 HydrophobicContact CE2-CG1 4.26Å; F88-I116 HydrophobicContact CG-CD1 4.35Å
89	R	92.1	Very high	77.6	Confident	44 Å²	44	81 Å²	81	17%	0.166	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.3	169.7	176	-177.9	133.7	124.5	-6.7	109.3	D91 Q99 L101 Q106 D111	R89-D91 IonicContact CZ-OD2 3.49Å; R89-D91 IonicContact NE-OD2 2.71Å; R89-D91 IonicContact NH2-OD2 3.96Å; R89-D91 PolarHBondContact NH2-OD2 2.75Å; R89-D91 PolarHBondContact O-N 3.32Å; R89-Q99 PolarHBondContact N-O 3.38Å; R89-Q99 PolarHBondContact O-N 3.36Å; R89-L101 HydrophobicContact CB-CD1 4.44Å; R89-L101 HydrophobicContact CB-CD2 3.99Å; R89-L101 HydrophobicContact CB-CG 4.16Å; R89-Q106 WeakPolarHBondContact CD-O 3.32Å; R89-D111 WeakPolarHBondContact CD-OD2 3.35Å; R89-D111 IonicContact CZ-OD1 3.66Å; R89-D111 IonicContact CZ-OD2 2.67Å; R89-D111 IonicContact NE-OD2 2.68Å; R89-D111 IonicContact NH1-OD1 3.19Å; R89-D111 PolarHBondContact NH1-OD1 3.33Å; R89-D111 VanDerWaalsContact NH1-OD1 3.14Å; R89-D111 IonicContact NH1-OD2 2.9Å; R89-D111 PolarHBondContact NH1-OD2 2.82Å
90	H	88.6	Confident	79.5	Confident	41 Å²	41	73.9 Å²	73.9	19%	0.19	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.6	170.4	-78.9	-129.8	0	0	0	109.3	M97 L98 L112 E114	H90-M97 CarbonylContact C-O 3.58Å; H90-M97 VanDerWaalsContact CA-O 3.3Å; H90-M97 WeakPolarHBondContact CA-O 3.37Å; H90-L98 VanDerWaalsContact CD2-CD2 3.49Å; H90-L98 WeakPolarHBondContact CD2-CD2 3.18Å; H90-L98 VanDerWaalsContact NE2-CD2 3.28Å; H90-L98 WeakPolarHBondContact NE2-CD2 3.46Å; H90-L112 HydrophobicContact CB-CB 4.13Å; H90-L112 HydrophobicContact CB-CD2 4.45Å; H90-L112 HydrophobicContact CB-CG 4.49Å; H90-L112 PolarHBondContact N-O 3.25Å; H90-E114 IonicContact CD2-OE2 3.63Å; H90-E114 IonicContact CE1-OE2 3.51Å; H90-E114 PolarHBondContact CE1-OE2 2.8Å; H90-E114 IonicContact NE2-OE2 3.7Å; H90-E114 PolarHBondContact NE2-OE2 3.37Å
91	D	84.9	Confident	81.2	Confident	27 Å²	27	71.6 Å²	71.6	14%	0.144	36%	0.358	C	S	.	.			trans	-119.9	101.3	178.3	-160.1	-47.2	0	0	0	110.8	R89 T93 S94 M97 Q99	R89-D91 IonicContact CZ-OD2 3.49Å; R89-D91 IonicContact NE-OD2 2.71Å; R89-D91 IonicContact NH2-OD2 3.96Å; R89-D91 PolarHBondContact NH2-OD2 2.75Å; R89-D91 PolarHBondContact O-N 3.32Å; D91-T93 PolarHBondContact O-N 3.47Å; D91-T93 WeakPolarHBondContact OD1-CB 3.22Å; D91-T93 PolarHBondContact OD1-N 2.92Å; D91-T93 PolarHBondContact OD1-OG1 3.23Å; D91-S94 PolarHBondContact O-N 2.83Å; D91-M97 PolarHBondContact N-O 3.41Å; D91-M97 WeakPolarHBondContact O-CA 3.39Å; D91-Q99 HydrophobicContact CB-CG 3.99Å
92	Q	78.1	Confident	82.3	Confident	174 Å²	174	81.7 Å²	81.7	81%	0.813	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.2	-177.6	-59.1	-179.8	26.8	0	0	113.3	M97	Q92-M97 HydrophobicContact CG-CE 4.47Å
93	T	78.9	Confident	83.2	Confident	133 Å²	133	78.2 Å²	78.2	82%	0.816	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4	178.2	71.7	0	0	0	0	113.4	D91	D91-T93 PolarHBondContact O-N 3.47Å; D91-T93 WeakPolarHBondContact OD1-CB 3.22Å; D91-T93 PolarHBondContact OD1-N 2.92Å; D91-T93 PolarHBondContact OD1-OG1 3.23Å
94	S	81.1	Confident	84	Confident	42 Å²	42	71.6 Å²	71.6	29%	0.294	36%	0.359	S	S	.	.	S	Bend	trans	-107.7	143.3	178.2	-170	0	0	0	0	111.9	D91 N96 Q99	D91-S94 PolarHBondContact O-N 2.83Å; S94-N96 CarbonylContact O-C 3.55Å; S94-N96 PolarHBondContact O-N 3.28Å; S94-N96 VanDerWaalsContact O-N 3.1Å; S94-N96 PolarHBondContact OG-N 2.83Å; S94-Q99 PolarHBondContact OG-NE2 2.89Å
95	D	73.9	Confident	84.4	Confident	171 Å²	171	73.5 Å²	73.5	91%	0.914	38%	0.38	S	S	*	.	S	Bend	trans	-54.1	-28.6	169.8	-58.2	-50	0	0	0	112.4
96	N	78.8	Confident	84.5	Confident	117 Å²	117	77.3 Å²	77.3	63%	0.626	40%	0.397	S	S	*	.	S	Bend	trans	-102.6	96.3	169.6	-73.9	-62.5	0	0	0	109.6	S94 L98 Q99	S94-N96 CarbonylContact O-C 3.55Å; S94-N96 PolarHBondContact O-N 3.28Å; S94-N96 VanDerWaalsContact O-N 3.1Å; S94-N96 PolarHBondContact OG-N 2.83Å; N96-L98 PolarHBondContact O-N 2.84Å; N96-L98 VanDerWaalsContact O-N 3.09Å; N96-Q99 PolarHBondContact O-NE2 3.47Å
97	M	83.2	Confident	84.5	Confident	111 Å²	111	75.1 Å²	75.1	55%	0.547	39%	0.386	S	S	.	.	S	Bend	trans	-60.1	-20.1	-177.7	-67.1	-179.5	68.2	0	0	114.7	H90 D91 Q92	H90-M97 CarbonylContact C-O 3.58Å; H90-M97 VanDerWaalsContact CA-O 3.3Å; H90-M97 WeakPolarHBondContact CA-O 3.37Å; D91-M97 PolarHBondContact N-O 3.41Å; D91-M97 WeakPolarHBondContact O-CA 3.39Å; Q92-M97 HydrophobicContact CG-CE 4.47Å
98	L	86.6	Confident	84.3	Confident	73 Å²	73	80.5 Å²	80.5	38%	0.382	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.4	179.1	-64.8	-180	0	0	0	110.8	F88 H90 N96	F88-L98 HydrophobicContact CB-CB 4.3Å; F88-L98 HydrophobicContact CB-CD2 4.34Å; F88-L98 HydrophobicContact CD1-CB 4Å; F88-L98 HydrophobicContact CG-CB 4.45Å; H90-L98 VanDerWaalsContact CD2-CD2 3.49Å; H90-L98 WeakPolarHBondContact CD2-CD2 3.18Å; H90-L98 VanDerWaalsContact NE2-CD2 3.28Å; H90-L98 WeakPolarHBondContact NE2-CD2 3.46Å; N96-L98 PolarHBondContact O-N 2.84Å; N96-L98 VanDerWaalsContact O-N 3.09Å
99	Q	87.4	Confident	84	Confident	72 Å²	72	84.8 Å²	84.8	34%	0.336	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.7	-179.1	-66.4	-63.8	-29.9	0	0	111	F88 R89 D91 S94 N96 L101	F88-Q99 CarbonylContact C-O 3.56Å; F88-Q99 WeakPolarHBondContact CA-O 3.48Å; R89-Q99 PolarHBondContact N-O 3.38Å; R89-Q99 PolarHBondContact O-N 3.36Å; D91-Q99 HydrophobicContact CB-CG 3.99Å; S94-Q99 PolarHBondContact OG-NE2 2.89Å; N96-Q99 PolarHBondContact O-NE2 3.47Å; Q99-L101 PolarHBondContact O-N 3.12Å
100	L	87.9	Confident	83.6	Confident	71 Å²	71	85.7 Å²	85.7	37%	0.372	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	119.2	-179.6	179.4	65.6	0	0	0	111.2	L86 F88 R102	L86-L100 HydrophobicContact CB-CD1 4.1Å; L86-L100 HydrophobicContact CD2-CD1 4.41Å; F88-L100 HydrophobicContact CD1-CB 4.01Å; F88-L100 HydrophobicContact CD1-CD1 4.38Å; F88-L100 HydrophobicContact CD2-CD1 4.42Å; F88-L100 HydrophobicContact CE1-CB 3.76Å; F88-L100 HydrophobicContact CE1-CD1 4.02Å; F88-L100 HydrophobicContact CE1-CG 4.43Å; F88-L100 HydrophobicContact CE2-CD1 4.06Å; F88-L100 HydrophobicContact CZ-CB 4.42Å; F88-L100 HydrophobicContact CZ-CD1 3.85Å; L100-R102 PolarHBondContact O-N 2.97Å
101	L	87.6	Confident	83.7	Confident	7 Å²	7	84.7 Å²	84.7	4%	0.037	45%	0.45	C	S	.	.			trans	-71.1	119.3	177.2	-68.8	166.4	0	0	0	110.5	L58 L87 R89 Q99 Q106 I107 V113	L58-L101 HydrophobicContact CD2-CB 4.18Å; L87-L101 HydrophobicContact CB-CB 4.35Å; L87-L101 HydrophobicContact CB-CD1 3.92Å; L87-L101 WeakPolarHBondContact O-CB 3.34Å; L87-L101 PolarHBondContact O-N 3.13Å; R89-L101 HydrophobicContact CB-CD1 4.44Å; R89-L101 HydrophobicContact CB-CD2 3.99Å; R89-L101 HydrophobicContact CB-CG 4.16Å; Q99-L101 PolarHBondContact O-N 3.12Å; L101-Q106 HydrophobicContact CD2-CB 3.52Å; L101-I107 HydrophobicContact CD1-CD1 4.09Å; L101-I107 HydrophobicContact CD1-CG1 3.83Å; L101-I107 HydrophobicContact CD2-CG1 4.03Å; L101-V113 HydrophobicContact CD1-CG1 3.65Å; L101-V113 HydrophobicContact CD1-CG2 4.08Å
102	R	86.1	Confident	83.9	Confident	214 Å²	214	84.7 Å²	84.7	81%	0.808	45%	0.45	S	S	*	.	S	Bend	trans	-103.8	-22.2	176.1	-63	-179.6	-177.5	161.6	1.9	112.5	L58 L100	L58-R102 WeakPolarHBondContact CD1-O 3.49Å; L100-R102 PolarHBondContact O-N 2.97Å
103	S	83.1	Confident	84.6	Confident	50 Å²	50	76.4 Å²	76.4	35%	0.35	41%	0.411	S	S	.	.	S	Bend	trans	-133.7	151.1	166.7	178.9	0	0	0	0	109.4	S105 Q106	S103-S105 WeakPolarHBondContact CB-OG 3.42Å; S103-S105 PolarHBondContact O-N 3.29Å; S103-S105 PolarHBondContact OG-N 2.83Å; S103-S105 PolarHBondContact OG-OG 2.98Å; S103-Q106 WeakPolarHBondContact O-CB 3.5Å; S103-Q106 PolarHBondContact O-N 3.4Å; S103-Q106 PolarHBondContact O-OE1 3.16Å
104	A	82.4	Confident	85.2	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.017	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-73	-20.6	173.4	0	0	0	0	0	112	L56 L58 Q106 I107	L56-A104 HydrophobicContact CD2-CB 4.17Å; L56-A104 WeakPolarHBondContact CD2-O 3.29Å; L56-A104 HydrophobicContact CG-CB 3.94Å; L58-A104 HydrophobicContact CD2-CB 3.86Å; L58-A104 HydrophobicContact CG-CB 4.05Å; A104-Q106 PolarHBondContact O-N 3.04Å; A104-I107 HydrophobicContact CB-CD1 4.49Å; A104-I107 WeakPolarHBondContact O-CB 3.47Å; A104-I107 WeakPolarHBondContact O-CG1 3.4Å; A104-I107 PolarHBondContact O-N 2.65Å
105	S	80.8	Confident	85.5	Confident	98 Å²	98	70.4 Å²	70.4	69%	0.685	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-65.5	5.1	170.6	71	0	0	0	0	114.6	S103	S103-S105 WeakPolarHBondContact CB-OG 3.42Å; S103-S105 PolarHBondContact O-N 3.29Å; S103-S105 PolarHBondContact OG-N 2.83Å; S103-S105 PolarHBondContact OG-OG 2.98Å
106	Q	84.8	Confident	85.9	Confident	83 Å²	83	65.2 Å²	65.2	39%	0.388	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-99	-4.5	170.8	-60.9	179.3	-97.8	0	0	112.5	R89 L101 S103 A104	R89-Q106 WeakPolarHBondContact CD-O 3.32Å; L101-Q106 HydrophobicContact CD2-CB 3.52Å; S103-Q106 WeakPolarHBondContact O-CB 3.5Å; S103-Q106 PolarHBondContact O-N 3.4Å; S103-Q106 PolarHBondContact O-OE1 3.16Å; A104-Q106 PolarHBondContact O-N 3.04Å
107	I	86.8	Confident	85.8	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.036	33%	0.329	C	S	.	.			trans	-87.6	134	174	-55.5	171.9	0	0	0	108.3	F38 V61 L101 A104 D111 V113	F38-I107 HydrophobicContact CB-CG2 4.04Å; F38-I107 HydrophobicContact CD1-CG2 4Å; F38-I107 HydrophobicContact CD2-CG2 4.06Å; F38-I107 HydrophobicContact CE1-CG2 4.45Å; F38-I107 HydrophobicContact CE2-CD1 4.4Å; F38-I107 HydrophobicContact CE2-CG2 4.49Å; F38-I107 HydrophobicContact CG-CG2 3.78Å; F38-I107 HydrophobicContact CZ-CD1 4.43Å; V61-I107 HydrophobicContact CG1-CD1 4.21Å; V61-I107 HydrophobicContact CG2-CD1 3.96Å; L101-I107 HydrophobicContact CD1-CD1 4.09Å; L101-I107 HydrophobicContact CD1-CG1 3.83Å; L101-I107 HydrophobicContact CD2-CG1 4.03Å; A104-I107 HydrophobicContact CB-CD1 4.49Å; A104-I107 WeakPolarHBondContact O-CB 3.47Å; A104-I107 WeakPolarHBondContact O-CG1 3.4Å; A104-I107 PolarHBondContact O-N 2.65Å; I107-D111 WeakPolarHBondContact CA-OD2 3.17Å; I107-D111 HydrophobicContact CG2-CB 4.31Å; I107-V113 HydrophobicContact CD1-CG2 4.4Å; I107-V113 HydrophobicContact CG1-CG2 4.27Å; I107-V113 HydrophobicContact CG2-CG2 4.3Å
108	Q	85.6	Confident	85.6	Confident	115 Å²	115	58.5 Å²	58.5	54%	0.537	31%	0.312	S	S	.	.			trans	-122.4	164.8	-178.8	-63.4	178.6	-33.6	0	0	111.1	G110 D111	Q108-G110 PolarHBondContact O-N 2.92Å; Q108-D111 PolarHBondContact N-OD2 2.74Å; Q108-D111 WeakPolarHBondContact O-CB 3.33Å; Q108-D111 PolarHBondContact O-N 3.3Å; Q108-D111 VanDerWaalsContact O-N 3.08Å
109	E	84.4	Confident	84.3	Confident	129 Å²	129	60.3 Å²	60.3	60%	0.603	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	122.3	177.1	-173.2	66.5	-168.1	0	0	110.8	I36 S37	I36-E109 WeakPolarHBondContact CA-OE2 3.35Å; S37-E109 WeakPolarHBondContact CB-OE1 3.4Å; S37-E109 PolarHBondContact N-OE2 3.11Å
110	G	84.3	Confident	83	Confident	62 Å²	62	60.3 Å²	60.3	64%	0.639	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	1	-178.2	0	0	0	0	0	116	S37 Q108	S37-G110 PolarHBondContact O-N 2.99Å; Q108-G110 PolarHBondContact O-N 2.92Å
111	D	90.9	Very high	81.5	Confident	20 Å²	20	57.9 Å²	57.9	11%	0.107	34%	0.335	C	S	.	.			trans	-59.3	148.5	177.7	-91.1	-17.5	0	0	0	112.3	F38 Q39 R89 I107 Q108	F38-D111 HydrophobicContact CB-CB 4.47Å; F38-D111 WeakPolarHBondContact CB-O 3.49Å; Q39-D111 PolarHBondContact N-O 3.17Å; R89-D111 WeakPolarHBondContact CD-OD2 3.35Å; R89-D111 IonicContact CZ-OD1 3.66Å; R89-D111 IonicContact CZ-OD2 2.67Å; R89-D111 IonicContact NE-OD2 2.68Å; R89-D111 IonicContact NH1-OD1 3.19Å; R89-D111 PolarHBondContact NH1-OD1 3.33Å; R89-D111 VanDerWaalsContact NH1-OD1 3.14Å; R89-D111 IonicContact NH1-OD2 2.9Å; R89-D111 PolarHBondContact NH1-OD2 2.82Å; I107-D111 WeakPolarHBondContact CA-OD2 3.17Å; I107-D111 HydrophobicContact CG2-CB 4.31Å; Q108-D111 PolarHBondContact N-OD2 2.74Å; Q108-D111 WeakPolarHBondContact O-CB 3.33Å; Q108-D111 PolarHBondContact O-N 3.3Å; Q108-D111 VanDerWaalsContact O-N 3.08Å
112	L	89.1	Confident	80.1	Confident	28 Å²	28	60.8 Å²	60.8	15%	0.147	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.8	167.7	-178.1	66.2	0	0	0	109.1	Q39 Q41 R46 H90	Q39-L112 HydrophobicContact CB-CD1 3.65Å; Q41-L112 HydrophobicContact CB-CD1 4.06Å; R46-L112 HydrophobicContact CG-CD1 4.41Å; H90-L112 HydrophobicContact CB-CB 4.13Å; H90-L112 HydrophobicContact CB-CD2 4.45Å; H90-L112 HydrophobicContact CB-CG 4.49Å; H90-L112 PolarHBondContact N-O 3.25Å
113	V	91.8	Very high	78.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.8	-178	179.5	0	0	0	0	109.5	F38 Q39 I40 Q41 L87 F88 L101 I107	F38-V113 HydrophobicContact CD2-CB 4.25Å; F38-V113 HydrophobicContact CD2-CG2 3.83Å; F38-V113 HydrophobicContact CE2-CB 4.43Å; F38-V113 HydrophobicContact CE2-CG2 4.23Å; Q39-V113 PolarHBondContact O-N 3.2Å; I40-V113 CarbonylContact C-O 3.56Å; I40-V113 VanDerWaalsContact CA-O 3.24Å; I40-V113 WeakPolarHBondContact CA-O 3.34Å; Q41-V113 PolarHBondContact N-O 3.03Å; L87-V113 HydrophobicContact CB-CG1 4.01Å; L87-V113 HydrophobicContact CD2-CG1 4.21Å; F88-V113 CarbonylContact O-C 3.38Å; F88-V113 WeakPolarHBondContact O-CA 3.42Å; L101-V113 HydrophobicContact CD1-CG1 3.65Å; L101-V113 HydrophobicContact CD1-CG2 4.08Å; I107-V113 HydrophobicContact CD1-CG2 4.4Å; I107-V113 HydrophobicContact CG1-CG2 4.27Å; I107-V113 HydrophobicContact CG2-CG2 4.3Å
114	E	91.6	Very high	76.7	Confident	33 Å²	33	63.3 Å²	63.3	15%	0.154	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.3	179	-172.5	158.2	-149.4	0	0	111.5	Q41 L87 F88 H90 I116	Q41-E114 HydrophobicContact CB-CB 4.28Å; Q41-E114 HydrophobicContact CB-CG 4.27Å; Q41-E114 HydrophobicContact CG-CG 4.36Å; Q41-E114 PolarHBondContact NE2-OE1 3.15Å; Q41-E114 PolarHBondContact NE2-OE2 3.14Å; Q41-E114 WeakPolarHBondContact O-CA 3.32Å; L87-E114 WeakPolarHBondContact CA-O 3.28Å; F88-E114 PolarHBondContact N-O 3.28Å; F88-E114 PolarHBondContact O-N 3.17Å; H90-E114 IonicContact CD2-OE2 3.63Å; H90-E114 IonicContact CE1-OE2 3.51Å; H90-E114 PolarHBondContact CE1-OE2 2.8Å; H90-E114 IonicContact NE2-OE2 3.7Å; H90-E114 PolarHBondContact NE2-OE2 3.37Å; E114-I116 HydrophobicContact CG-CD1 4.21Å; E114-I116 HydrophobicContact CG-CG1 3.87Å
115	A	87.6	Confident	75.1	Confident	16 Å²	16	65.5 Å²	65.5	13%	0.132	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109	177.9	0	0	0	0	0	110	I40 Q41 I42 A65 I85 L87	I40-A115 HydrophobicContact CG2-CB 4.21Å; Q41-A115 PolarHBondContact O-N 2.9Å; I42-A115 HydrophobicContact CG1-CB 3.98Å; A65-A115 HydrophobicContact CB-CB 4.11Å; I85-A115 HydrophobicContact CG2-CB 4.13Å; L87-A115 HydrophobicContact CD2-CB 3.94Å
116	I	83.5	Confident	73.6	Confident	62 Å²	62	64.5 Å²	64.5	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	-176.4	-54.4	-174.2	0	0	0	109	L86 F88 E114	L86-I116 PolarHBondContact N-O 2.94Å; L86-I116 PolarHBondContact O-N 3.39Å; F88-I116 HydrophobicContact CD2-CB 4.16Å; F88-I116 HydrophobicContact CD2-CD1 3.66Å; F88-I116 HydrophobicContact CD2-CG1 3.93Å; F88-I116 HydrophobicContact CE2-CB 4.07Å; F88-I116 HydrophobicContact CE2-CD1 3.91Å; F88-I116 HydrophobicContact CE2-CG1 4.26Å; F88-I116 HydrophobicContact CG-CD1 4.35Å; E114-I116 HydrophobicContact CG-CD1 4.21Å; E114-I116 HydrophobicContact CG-CG1 3.87Å
117	L	76.9	Confident	71.9	Confident	59 Å²	59	67.7 Å²	67.7	31%	0.309	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.6	174.1	-169.4	68.6	0	0	0	110.1	F78 M81 K84 A121 F126	F78-L117 HydrophobicContact CE1-CD1 4.47Å; F78-L117 HydrophobicContact CE1-CD2 4.28Å; M81-L117 HydrophobicContact CE-CD1 4.35Å; M81-L117 HydrophobicContact CE-CD2 4.22Å; M81-L117 HydrophobicContact SD-CD1 4.1Å; K84-L117 HydrophobicContact CB-CD1 4.28Å; L117-A121 HydrophobicContact CD1-CB 4.07Å; L117-A121 HydrophobicContact CD2-CB 3.59Å; L117-A121 HydrophobicContact CG-CB 3.68Å; L117-F126 HydrophobicContact CD2-CE1 4.21Å; L117-F126 HydrophobicContact CD2-CE2 4Å; L117-F126 HydrophobicContact CD2-CZ 3.38Å
118	S	78.4	Confident	70.2	Confident	27 Å²	27	72.3 Å²	72.3	19%	0.189	40%	0.404	C	S	.	.			trans	-60.2	143.6	176.2	178.7	0	0	0	0	111.9	K84 S120 A121	K84-S118 VanDerWaalsContact O-CB 3.23Å; K84-S118 WeakPolarHBondContact O-CB 3.23Å; K84-S118 PolarHBondContact O-N 3.46Å; S118-S120 WeakPolarHBondContact CB-OG 3.5Å; S118-S120 PolarHBondContact O-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.35Å; S118-S120 PolarHBondContact OG-OG 2.84Å; S118-A121 WeakPolarHBondContact O-CB 3.47Å; S118-A121 PolarHBondContact O-N 2.81Å
119	A	60.1	Low	68.8	Low	111 Å²	111	74.7 Å²	74.7	92%	0.917	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.6	171.1	0	0	0	0	0	114	A121	A119-A121 VanDerWaalsContact C-N 3.29Å
120	S	59.8	Low	67.6	Low	72 Å²	72	72.2 Å²	72.2	50%	0.503	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	4.9	167.6	60.7	0	0	0	0	114.3	K84 S118	K84-S120 PolarHBondContact NZ-O 2.83Å; S118-S120 WeakPolarHBondContact CB-OG 3.5Å; S118-S120 PolarHBondContact O-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.35Å; S118-S120 PolarHBondContact OG-OG 2.84Å
121	A	56.7	Low	66.9	Low	20 Å²	20	70.3 Å²	70.3	17%	0.165	38%	0.378	C	S	.	.			trans	-85.1	117.3	165.6	0	0	0	0	0	110.3	M81 K84 L117 S118 A119 D125	M81-A121 HydrophobicContact CE-CB 4.01Å; M81-A121 HydrophobicContact SD-CB 4.15Å; K84-A121 HydrophobicContact CD-CB 4.3Å; L117-A121 HydrophobicContact CD1-CB 4.07Å; L117-A121 HydrophobicContact CD2-CB 3.59Å; L117-A121 HydrophobicContact CG-CB 3.68Å; S118-A121 WeakPolarHBondContact O-CB 3.47Å; S118-A121 PolarHBondContact O-N 2.81Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A121-D125 WeakPolarHBondContact CA-OD2 3.49Å
122	T	56.6	Low	65.9	Low	68 Å²	68	72.3 Å²	72.3	42%	0.417	39%	0.394	S	S	.	.			trans	-90.3	166.1	176.2	74	0	0	0	0	110.6	E124 D125 F126	T122-E124 PolarHBondContact O-N 2.77Å; T122-E124 VanDerWaalsContact O-N 3.07Å; T122-E124 WeakPolarHBondContact OG1-CB 3.39Å; T122-E124 PolarHBondContact OG1-N 2.93Å; T122-D125 PolarHBondContact N-OD2 2.88Å; T122-D125 WeakPolarHBondContact O-CB 3.13Å; T122-D125 PolarHBondContact O-N 3.25Å; T122-D125 VanDerWaalsContact O-N 3.14Å; T122-D125 PolarHBondContact OG1-N 3.43Å; T122-D125 PolarHBondContact OG1-OD2 2.8Å; T122-F126 VanDerWaalsContact O-CD2 3.28Å; T122-F126 WeakPolarHBondContact O-CD2 3.42Å
123	M	49	Very low	65.2	Low	175 Å²	175	73 Å²	73	86%	0.862	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.6	172.2	-67.4	-118.3	-73.8	0	0	113.6
124	E	49.1	Very low	63.9	Low	143 Å²	143	77.2 Å²	77.2	67%	0.668	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-27	177.1	-54.1	177.1	153	0	0	112	T122 F126	T122-E124 PolarHBondContact O-N 2.77Å; T122-E124 VanDerWaalsContact O-N 3.07Å; T122-E124 WeakPolarHBondContact OG1-CB 3.39Å; T122-E124 PolarHBondContact OG1-N 2.93Å; E124-F126 PolarHBondContact O-N 3.44Å
125	D	49.6	Very low	62.7	Low	48 Å²	48	78 Å²	78	26%	0.257	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.8	171	-67.7	-69	0	0	0	112	M81 K84 A121 T122 Q127	M81-D125 HydrophobicContact CE-CB 3.38Å; M81-D125 HydrophobicContact SD-CB 3.71Å; K84-D125 IonicContact NZ-OD1 2.68Å; K84-D125 PolarHBondContact NZ-OD1 3.36Å; K84-D125 IonicContact NZ-OD2 3.79Å; K84-D125 PolarHBondContact NZ-OD2 2.83Å; A121-D125 WeakPolarHBondContact CA-OD2 3.49Å; T122-D125 PolarHBondContact N-OD2 2.88Å; T122-D125 WeakPolarHBondContact O-CB 3.13Å; T122-D125 PolarHBondContact O-N 3.25Å; T122-D125 VanDerWaalsContact O-N 3.14Å; T122-D125 PolarHBondContact OG1-N 3.43Å; T122-D125 PolarHBondContact OG1-OD2 2.8Å; D125-Q127 PolarHBondContact O-N 3.07Å
126	F	48.8	Very low	61.6	Low	76 Å²	76	80 Å²	80	33%	0.333	43%	0.429	S	S	.	.	S	Bend	trans	-77.1	68.8	173.7	-68.9	-91.5	0	0	0	110.8	F78 M81 L117 T122 E124 I128	F78-F126 HydrophobicContact CE1-CD1 4.31Å; F78-F126 AromaticContact CE1-CE1 3.72Å; F78-F126 HydrophobicContact CE1-CE1 3.72Å; F78-F126 HydrophobicContact CE1-CZ 4.41Å; F78-F126 HydrophobicContact CZ-CD1 4.42Å; F78-F126 AromaticContact CZ-CE1 3.8Å; F78-F126 HydrophobicContact CZ-CE1 3.8Å; M81-F126 HydrophobicContact CE-CD1 4.4Å; M81-F126 HydrophobicContact CE-CD2 4.09Å; M81-F126 HydrophobicContact CE-CE1 4.39Å; M81-F126 HydrophobicContact CE-CE2 4.07Å; M81-F126 HydrophobicContact CE-CG 4.28Å; M81-F126 HydrophobicContact CE-CZ 4.23Å; L117-F126 HydrophobicContact CD2-CE1 4.21Å; L117-F126 HydrophobicContact CD2-CE2 4Å; L117-F126 HydrophobicContact CD2-CZ 3.38Å; T122-F126 VanDerWaalsContact O-CD2 3.28Å; T122-F126 WeakPolarHBondContact O-CD2 3.42Å; E124-F126 PolarHBondContact O-N 3.44Å; F126-I128 VanDerWaalsContact C-N 3.32Å; F126-I128 PolarHBondContact O-N 2.95Å
127	Q	48.8	Very low	60.7	Low	151 Å²	151	79.4 Å²	79.4	71%	0.706	43%	0.43	S	S	*	.			trans	-66.7	90.8	175.4	-72.7	-160.8	-0.6	0	0	111.6	D125 R129	D125-Q127 PolarHBondContact O-N 3.07Å; Q127-R129 PolarHBondContact O-N 3.17Å
128	I	52.5	Low	60.1	Low	103 Å²	103	77.7 Å²	77.7	53%	0.528	42%	0.42	S	S	.	.			trans	-52.2	123.7	166.4	-19.5	177.8	0	0	0	107.7	F126 P130 N178 N179	F126-I128 VanDerWaalsContact C-N 3.32Å; F126-I128 PolarHBondContact O-N 2.95Å; I128-P130 VanDerWaalsContact O-CD 3.28Å; I128-P130 WeakPolarHBondContact O-CD 3.4Å; I128-N178 CarbonylContact C-O 3.6Å; I128-N178 WeakPolarHBondContact CA-O 3.45Å; I128-N178 HydrophobicContact CB-CB 4.3Å; I128-N178 WeakPolarHBondContact CB-O 3.25Å; I128-N178 WeakPolarHBondContact CG2-O 3.34Å; I128-N178 WeakPolarHBondContact O-CB 3.44Å; I128-N178 VanDerWaalsContact O-O 3.04Å; I128-N179 HydrophobicContact CG2-CB 3.94Å
129	R	55.2	Low	58.7	Low	165 Å²	165	88.7 Å²	88.7	62%	0.623	46%	0.457	S	S	*	.			trans	-65.6	111.6	-168.5	-171.6	177.9	-167.2	158.8	6.2	112.4	Q127 N178 C180	Q127-R129 PolarHBondContact O-N 3.17Å; R129-N178 CarbonylContact C-O 3.43Å; R129-N178 PolarHBondContact N-O 2.78Å; R129-N178 CarbonylContact O-C 3.13Å; R129-C180 WeakPolarHBondContact CD-O 3.32Å; R129-C180 HydrophobicContact CG-CB 4.42Å; R129-C180 WeakPolarHBondContact O-CA 3.35Å; R129-C180 WeakPolarHBondContact O-CB 3.04Å; R129-C180 PolarHBondContact O-N 2.88Å
130	P	58.6	Low	58.2	Low	78 Å²	78	86.3 Å²	86.3	51%	0.506	44%	0.438	S	S	.	.			trans	-64	151.5	179.8	27.1	-34.9	0	0	0	112.1	I128 S132 N178	I128-P130 VanDerWaalsContact O-CD 3.28Å; I128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-S132 PolarHBondContact O-N 3.31Å; P130-N178 HydrophobicContact CB-CB 4.28Å
131	H	69.7	Low	57.9	Low	22 Å²	22	87.9 Å²	87.9	10%	0.102	45%	0.446	C	S	.	.			trans	-74.3	110.9	175	-71.3	-90.8	0	0	0	110.6	L133 C161 C164 Y168 P177 C180	H131-L133 HydrophobicContact CB-CD1 4.25Å; H131-L133 HydrophobicContact CB-CD2 4.11Å; H131-L133 HydrophobicContact CB-CG 3.84Å; H131-L133 WeakPolarHBondContact O-CG 3.34Å; H131-L133 PolarHBondContact O-N 2.85Å; H131-L133 VanDerWaalsContact O-N 3.11Å; H131-C161 HydrophobicContact CB-CB 4.39Å; H131-C161 PolarHBondContact ND1-SG 3.09Å; H131-C164 PolarHBondContact CE1-SG 3.13Å; H131-C164 PolarHBondContact ND1-SG 3.35Å; H131-C164 VanDerWaalsContact ND1-SG 3.43Å; H131-Y168 PolarHBondContact CE1-OH 3.16Å; H131-P177 PolarHBondContact CD2-O 3.42Å; H131-C180 HydrophobicContact CB-CB 4.36Å; H131-C180 VanDerWaalsContact CE1-CA 3.49Å; H131-C180 WeakPolarHBondContact CE1-CA 3.38Å; H131-C180 WeakPolarHBondContact ND1-CB 3.29Å
132	S	71.4	Confident	57.9	Low	62 Å²	62	88.4 Å²	88.4	43%	0.434	45%	0.448	S	S	.	.			trans	-62.1	108.5	160.2	174.3	0	0	0	0	107.8	P130 C161 E162	P130-S132 PolarHBondContact O-N 3.31Å; S132-C161 CarbonylContact O-C 3.58Å; S132-C161 WeakPolarHBondContact O-CA 3.5Å; S132-C161 PolarHBondContact O-SG 3.19Å; S132-E162 PolarHBondContact O-N 3.21Å; S132-E162 PolarHBondContact OG-OE2 2.97Å
133	L	74.4	Confident	58.7	Low	42 Å²	42	90 Å²	90	22%	0.22	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	-172.2	-73.8	171.3	0	0	0	110.8	H131 L159 K160 C161 Y168 A173 I176	H131-L133 HydrophobicContact CB-CD1 4.25Å; H131-L133 HydrophobicContact CB-CD2 4.11Å; H131-L133 HydrophobicContact CB-CG 3.84Å; H131-L133 WeakPolarHBondContact O-CG 3.34Å; H131-L133 PolarHBondContact O-N 2.85Å; H131-L133 VanDerWaalsContact O-N 3.11Å; L133-L159 HydrophobicContact CB-CB 4.22Å; L133-L159 HydrophobicContact CB-CD1 4.18Å; L133-L159 HydrophobicContact CD1-CD1 4.02Å; L133-L159 HydrophobicContact CD2-CB 4.06Å; L133-K160 WeakPolarHBondContact CA-O 3.43Å; L133-C161 HydrophobicContact CD2-CB 3.91Å; L133-Y168 HydrophobicContact CD2-CD2 3.62Å; L133-Y168 HydrophobicContact CD2-CE2 3.97Å; L133-A173 HydrophobicContact CD1-CB 4.25Å; L133-I176 HydrophobicContact CD1-CD1 3.89Å
134	F	63	Low	60.1	Low	89 Å²	89	81.7 Å²	81.7	39%	0.39	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.8	173.7	68	-88.7	0	0	0	111.4	H136 L159 K160 E162	F134-H136 HydrophobicContact CD2-CB 4.28Å; F134-H136 HydrophobicContact CE2-CB 3.91Å; F134-H136 PolarHBondContact O-N 2.71Å; F134-L159 CarbonylContact O-C 3.17Å; F134-L159 VanDerWaalsContact O-CA 3.27Å; F134-L159 WeakPolarHBondContact O-CA 3.4Å; F134-K160 HydrophobicContact CD1-CB 4.5Å; F134-K160 WeakPolarHBondContact CD1-O 3.48Å; F134-K160 HydrophobicContact CE1-CB 3.92Å; F134-K160 HydrophobicContact CE1-CG 4.11Å; F134-K160 WeakPolarHBondContact CE1-O 3.49Å; F134-K160 HydrophobicContact CE2-CB 4.09Å; F134-K160 HydrophobicContact CZ-CB 3.71Å; F134-K160 HydrophobicContact CZ-CD 4.1Å; F134-K160 HydrophobicContact CZ-CG 3.94Å; F134-K160 PolarHBondContact N-O 2.68Å; F134-K160 PolarHBondContact O-N 3.21Å; F134-E162 HydrophobicContact CD1-CB 4.29Å; F134-E162 HydrophobicContact CE1-CB 4.32Å
135	V	67.2	Low	61.7	Low	49 Å²	49	77.3 Å²	77.3	30%	0.297	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.9	177.8	-172.6	0	0	0	0	109.8	R156 L159	V135-R156 HydrophobicContact CG1-CB 3.55Å; V135-R156 HydrophobicContact CG1-CG 3.72Å; V135-L159 HydrophobicContact CB-CD2 4.27Å; V135-L159 HydrophobicContact CG2-CD2 3.71Å
136	H	63.5	Low	63	Low	57 Å²	57	78.5 Å²	78.5	26%	0.264	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140	-174.6	-169.4	40	0	0	0	111.6	F134 Y138 R156 Q157 G158 K160	F134-H136 HydrophobicContact CD2-CB 4.28Å; F134-H136 HydrophobicContact CE2-CB 3.91Å; F134-H136 PolarHBondContact O-N 2.71Å; H136-Y138 HydrophobicContact CB-CE2 3.94Å; H136-Y138 AromaticContact CD2-CD1 3.98Å; H136-Y138 AromaticContact CD2-CE1 3.46Å; H136-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H136-Y138 WeakPolarHBondContact CD2-CE1 3.4Å; H136-Y138 AromaticContact CD2-CE2 3.99Å; H136-Y138 AromaticContact CD2-CZ 3.48Å; H136-Y138 VanDerWaalsContact CD2-CZ 3.48Å; H136-Y138 WeakPolarHBondContact O-CD2 3.34Å; H136-Y138 WeakPolarHBondContact O-CE2 3.34Å; H136-R156 CarbonylContact O-C 3.04Å; H136-R156 WeakPolarHBondContact O-CA 2.95Å; H136-Q157 PolarHBondContact O-N 2.89Å; H136-G158 PolarHBondContact N-O 2.94Å; H136-K160 HydrophobicContact CB-CB 3.82Å; H136-K160 WeakPolarHBondContact CD2-CD 3.16Å
137	S	65.8	Low	63.8	Low	50 Å²	50	77.3 Å²	77.3	35%	0.35	39%	0.394	S	S	.	.			trans	-96.8	127	171.5	-55.7	0	0	0	0	109.6	V155 R156	S137-V155 WeakPolarHBondContact OG-CG1 3.42Å; S137-R156 PolarHBondContact OG-N 3.46Å
138	Y	64.6	Low	64.2	Low	24 Å²	24	72.9 Å²	72.9	9%	0.094	39%	0.388	C	S	.	.			trans	-102.3	129	-176.2	-65	-90	0	0	0	109.9	H136 A140 T142 L151 Q157 L159 N167	H136-Y138 HydrophobicContact CB-CE2 3.94Å; H136-Y138 AromaticContact CD2-CD1 3.98Å; H136-Y138 AromaticContact CD2-CE1 3.46Å; H136-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H136-Y138 WeakPolarHBondContact CD2-CE1 3.4Å; H136-Y138 AromaticContact CD2-CE2 3.99Å; H136-Y138 AromaticContact CD2-CZ 3.48Å; H136-Y138 VanDerWaalsContact CD2-CZ 3.48Å; H136-Y138 WeakPolarHBondContact O-CD2 3.34Å; H136-Y138 WeakPolarHBondContact O-CE2 3.34Å; Y138-A140 VanDerWaalsContact C-N 3.28Å; Y138-T142 HydrophobicContact CD1-CG2 3.58Å; Y138-T142 VanDerWaalsContact CD1-OG1 3.27Å; Y138-T142 WeakPolarHBondContact CD1-OG1 3.22Å; Y138-T142 HydrophobicContact CE1-CG2 3.6Å; Y138-T142 HydrophobicContact CG-CG2 4.33Å; Y138-L151 HydrophobicContact CD2-CD1 3.89Å; Y138-L151 HydrophobicContact CE1-CD1 4.28Å; Y138-L151 HydrophobicContact CE2-CD1 3.49Å; Y138-L151 VanDerWaalsContact CE2-CD1 3.49Å; Y138-L151 HydrophobicContact CG-CD1 4.43Å; Y138-Q157 HydrophobicContact CD2-CB 4.23Å; Y138-Q157 PolarHBondContact O-NE2 3.12Å; Y138-Q157 VanDerWaalsContact O-NE2 3.17Å; Y138-L159 PolarHBondContact OH-O 3.05Å; Y138-N167 HydrophobicContact CE1-CB 4.19Å; Y138-N167 WeakPolarHBondContact CE1-OD1 3.41Å; Y138-N167 WeakPolarHBondContact OH-CB 3.47Å; Y138-N167 PolarHBondContact OH-OD1 3.09Å
139	R	48.3	Very low	64.5	Low	257 Å²	257	72.8 Å²	72.8	97%	0.97	39%	0.386	S	S	*	.	S	Bend	trans	-87.7	8.1	178.8	-60.4	-176.9	-179	176.2	-2.7	113.7
140	A	48.7	Very low	64.6	Low	62 Å²	62	67.5 Å²	67.5	51%	0.512	37%	0.369	S	S	.	.	S	Bend	trans	-156.7	153.7	-178.4	0	0	0	0	0	109.7	Y138 T142	Y138-A140 VanDerWaalsContact C-N 3.28Å; A140-T142 PolarHBondContact O-N 2.83Å; A140-T142 PolarHBondContact O-OG1 3.42Å
141	P	53.7	Low	64.5	Low	104 Å²	104	64.3 Å²	64.3	68%	0.675	35%	0.347	S	S	*	.			trans	-52.3	104	176.8	-28.6	36.6	0	0	0	112.2	M150	P141-M150 HydrophobicContact CB-SD 4.08Å
142	T	56.9	Low	63.4	Low	32 Å²	32	70.5 Å²	70.5	20%	0.196	37%	0.37	C	S	.	.			trans	-114.1	149.2	-176.7	-56.6	0	0	0	0	109.2	Y138 A140 L151 N167	Y138-T142 HydrophobicContact CD1-CG2 3.58Å; Y138-T142 VanDerWaalsContact CD1-OG1 3.27Å; Y138-T142 WeakPolarHBondContact CD1-OG1 3.22Å; Y138-T142 HydrophobicContact CE1-CG2 3.6Å; Y138-T142 HydrophobicContact CG-CG2 4.33Å; A140-T142 PolarHBondContact O-N 2.83Å; A140-T142 PolarHBondContact O-OG1 3.42Å; T142-L151 HydrophobicContact CG2-CD1 3.95Å; T142-L151 WeakPolarHBondContact O-CB 3.45Å; T142-L151 WeakPolarHBondContact O-CG 3.47Å; T142-L151 PolarHBondContact O-N 3.17Å; T142-N167 HydrophobicContact CG2-CB 4.09Å
143	F	73.5	Confident	61.9	Low	101 Å²	101	70 Å²	70	44%	0.443	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-116.5	152.2	-171.9	-62.9	-98.4	0	0	0	111	D145 G148 M150	F143-D145 PolarHBondContact O-N 3.13Å; F143-G148 WeakPolarHBondContact CD1-O 3.47Å; F143-M150 HydrophobicContact CD1-CB 3.9Å; F143-M150 HydrophobicContact CD1-CG 4.43Å; F143-M150 HydrophobicContact CE1-CB 3.7Å; F143-M150 HydrophobicContact CE1-CG 4.09Å; F143-M150 HydrophobicContact CZ-CB 4.33Å; F143-M150 HydrophobicContact CZ-CG 4.24Å; F143-M150 HydrophobicContact CZ-SD 4.46Å
144	C	79.8	Confident	60.2	Low	1 Å²	1	72.1 Å²	72.1	1%	0.007	39%	0.386	C	S	.	.			trans	-76.8	111.5	177	176.6	0	0	0	0	110.3	H146 C147 G148 E149 L151 N167 H169	C144-H146 PolarHBondContact O-N 2.85Å; C144-C147 PolarHBondContact O-N 3.03Å; C144-C147 VanDerWaalsContact O-N 3.09Å; C144-G148 PolarHBondContact O-N 3.03Å; C144-E149 WeakPolarHBondContact CB-O 3.23Å; C144-E149 PolarHBondContact N-O 3.47Å; C144-L151 HydrophobicContact CB-CD2 3.84Å; C144-N167 CarbonylContact C-O 3.52Å; C144-N167 WeakPolarHBondContact CA-O 3.36Å; C144-H169 VanDerWaalsContact CB-CE1 3.46Å; C144-H169 WeakPolarHBondContact CB-CE1 3.41Å; C144-H169 VanDerWaalsContact CB-ND1 3.3Å; C144-H169 WeakPolarHBondContact CB-ND1 2.98Å; C144-H169 PolarHBondContact SG-N 2.9Å; C144-H169 VanDerWaalsContact SG-N 3.38Å
145	D	82.3	Confident	59.3	Low	50 Å²	50	69.5 Å²	69.5	27%	0.267	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.5	178.5	-76	-66.7	0	0	0	114.1	F143 L166 N167 Y168 R187	F143-D145 PolarHBondContact O-N 3.13Å; D145-L166 HydrophobicContact CB-CB 4.11Å; D145-L166 HydrophobicContact CB-CD2 4.35Å; D145-N167 WeakPolarHBondContact CB-O 3.27Å; D145-N167 PolarHBondContact N-O 3.41Å; D145-N167 PolarHBondContact OD2-N 3.07Å; D145-N167 PolarHBondContact OD2-ND2 2.67Å; D145-Y168 HydrophobicContact CB-CE1 4.21Å; D145-R187 IonicContact OD1-CZ 3.49Å; D145-R187 VanDerWaalsContact OD1-CZ 3.22Å; D145-R187 IonicContact OD1-NH1 3.85Å; D145-R187 PolarHBondContact OD1-NH1 3.32Å; D145-R187 IonicContact OD1-NH2 2.59Å; D145-R187 PolarHBondContact OD1-NH2 3.26Å; D145-R187 IonicContact OD2-NH1 3.84Å
146	H	76.6	Confident	58.7	Low	74 Å²	74	69.9 Å²	69.9	34%	0.343	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-32.8	172.5	171.1	80.3	0	0	0	114.7	C144 Y168 K175 I176	C144-H146 PolarHBondContact O-N 2.85Å; H146-Y168 HydrophobicContact CB-CD1 3.75Å; H146-Y168 HydrophobicContact CB-CE1 4.01Å; H146-K175 PolarHBondContact CE1-O 3.19Å; H146-K175 WeakPolarHBondContact NE2-CB 3.5Å; H146-I176 HydrophobicContact CB-CG1 4.35Å
147	C	66.2	Low	58.6	Low	51 Å²	51	68.2 Å²	68.2	35%	0.345	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.6	-172.9	73.3	0	0	0	0	115	C144 E149 H169 C172	C144-C147 PolarHBondContact O-N 3.03Å; C144-C147 VanDerWaalsContact O-N 3.09Å; C147-E149 PolarHBondContact O-N 3.43Å; C147-H169 PolarHBondContact SG-ND1 2.67Å; C147-H169 VanDerWaalsContact SG-ND1 3.36Å; C147-C172 VanDerWaalsContact SG-SG 3.68Å
148	G	56.2	Low	58.9	Low	57 Å²	57	65.9 Å²	65.9	59%	0.588	35%	0.349	S	S	*	.			trans	72.9	-15.5	178.7	0	0	0	0	0	115.7	F143 C144	F143-G148 WeakPolarHBondContact CD1-O 3.47Å; C144-G148 PolarHBondContact O-N 3.03Å
149	E	59.2	Low	59.6	Low	102 Å²	102	65.7 Å²	65.7	48%	0.477	35%	0.35	S	S	.	.			trans	-76.3	151.1	178.8	-71.3	-177.5	-162.4	0	0	113	C144 C147 H169 R171	C144-E149 WeakPolarHBondContact CB-O 3.23Å; C144-E149 PolarHBondContact N-O 3.47Å; C147-E149 PolarHBondContact O-N 3.43Å; E149-H169 PolarHBondContact O-CE1 3.19Å; E149-R171 IonicContact OE2-CZ 3.22Å; E149-R171 IonicContact OE2-NH1 3.77Å; E149-R171 PolarHBondContact OE2-NH1 2.71Å; E149-R171 IonicContact OE2-NH2 2.81Å; E149-R171 PolarHBondContact OE2-NH2 2.84Å
150	M	56.7	Low	61.2	Low	54 Å²	54	56.5 Å²	56.5	27%	0.266	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-63.8	141.6	179.6	-165.7	172.9	71.5	0	0	112.1	P141 F143 W152 H169	P141-M150 HydrophobicContact CB-SD 4.08Å; F143-M150 HydrophobicContact CD1-CB 3.9Å; F143-M150 HydrophobicContact CD1-CG 4.43Å; F143-M150 HydrophobicContact CE1-CB 3.7Å; F143-M150 HydrophobicContact CE1-CG 4.09Å; F143-M150 HydrophobicContact CZ-CB 4.33Å; F143-M150 HydrophobicContact CZ-CG 4.24Å; F143-M150 HydrophobicContact CZ-SD 4.46Å; M150-W152 HydrophobicContact CE-CD2 3.83Å; M150-W152 HydrophobicContact CE-CE3 3.75Å; M150-W152 HydrophobicContact CE-CH2 3.85Å; M150-W152 HydrophobicContact CE-CZ2 3.92Å; M150-W152 HydrophobicContact CE-CZ3 3.77Å; M150-W152 PolarHBondContact O-N 3.27Å; M150-W152 PolarHBondContact O-NE1 3.12Å; M150-H169 PolarHBondContact O-CE1 3.48Å; M150-H169 PolarHBondContact O-NE2 3.45Å
151	L	56.9	Low	62.9	Low	10 Å²	10	53.6 Å²	53.6	5%	0.052	29%	0.292	C	S	.	.			trans	-74.6	103	171.1	-57	179.8	0	0	0	108.6	Y138 T142 C144 Q157 N167 H169	Y138-L151 HydrophobicContact CD2-CD1 3.89Å; Y138-L151 HydrophobicContact CE1-CD1 4.28Å; Y138-L151 HydrophobicContact CE2-CD1 3.49Å; Y138-L151 VanDerWaalsContact CE2-CD1 3.49Å; Y138-L151 HydrophobicContact CG-CD1 4.43Å; T142-L151 HydrophobicContact CG2-CD1 3.95Å; T142-L151 WeakPolarHBondContact O-CB 3.45Å; T142-L151 WeakPolarHBondContact O-CG 3.47Å; T142-L151 PolarHBondContact O-N 3.17Å; C144-L151 HydrophobicContact CB-CD2 3.84Å; L151-Q157 HydrophobicContact CB-CB 3.85Å; L151-N167 HydrophobicContact CD1-CB 4.18Å; L151-H169 HydrophobicContact CD2-CB 4.42Å
152	W	45.8	Very low	63.9	Low	153 Å²	153	54.4 Å²	54.4	58%	0.58	29%	0.287	S	S	*	.			trans	-81.5	157.6	-177.2	-65	89.4	0	0	0	112.6	M150 Q157 F289	M150-W152 HydrophobicContact CE-CD2 3.83Å; M150-W152 HydrophobicContact CE-CE3 3.75Å; M150-W152 HydrophobicContact CE-CH2 3.85Å; M150-W152 HydrophobicContact CE-CZ2 3.92Å; M150-W152 HydrophobicContact CE-CZ3 3.77Å; M150-W152 PolarHBondContact O-N 3.27Å; M150-W152 PolarHBondContact O-NE1 3.12Å; W152-Q157 WeakPolarHBondContact O-CB 3.49Å; W152-F289 HydrophobicContact CH2-CE1 4.36Å
153	G	41.4	Very low	64.5	Low	52 Å²	52	53.9 Å²	53.9	54%	0.536	29%	0.288	S	S	.	.	S	Bend	trans	106.5	166.7	-177.6	0	0	0	0	0	112.4	Q157	G153-Q157 VanDerWaalsContact C-CG 3.49Å; G153-Q157 WeakPolarHBondContact O-CG 3.44Å; G153-Q157 PolarHBondContact O-NE2 2.8Å
154	L	38.8	Very low	64.5	Low	86 Å²	86	49.2 Å²	49.2	45%	0.45	27%	0.268	S	S	.	.	S	Bend	trans	-90.5	-34.5	-176.3	-62.1	177.4	0	0	0	112	Q157 F774 E778	L154-Q157 VanDerWaalsContact C-NE2 3.31Å; L154-Q157 PolarHBondContact O-NE2 3.35Å; L154-F774 HydrophobicContact CD1-CD2 3.67Å; L154-F774 HydrophobicContact CD1-CE2 3.37Å; L154-F774 HydrophobicContact CD1-CZ 4.05Å; L154-E778 WeakPolarHBondContact CB-OE1 3.45Å; L154-E778 WeakPolarHBondContact CB-OE2 3.43Å; L154-E778 WeakPolarHBondContact CD2-OE2 3.45Å
155	V	42.5	Very low	64.5	Low	34 Å²	34	50.2 Å²	50.2	21%	0.206	28%	0.278	C	S	.	.	S	Bend	trans	-143.6	149.4	-177.4	-156.1	0	0	0	0	110	S137 Q157 P740	S137-V155 WeakPolarHBondContact OG-CG1 3.42Å; V155-Q157 PolarHBondContact O-N 2.92Å; V155-P740 HydrophobicContact CB-CG 4.5Å; V155-P740 HydrophobicContact CG1-CB 4.06Å; V155-P740 HydrophobicContact CG1-CG 3.69Å; V155-P740 HydrophobicContact CG2-CB 4.24Å
156	R	54.6	Low	64.7	Low	56 Å²	56	49.8 Å²	49.8	21%	0.211	28%	0.276	C	S	.	.	S	Bend	trans	51.7	40.2	-177.2	-65.5	-175.6	-180	142	7.6	113.1	V135 H136 S137 G158 K170 G738	V135-R156 HydrophobicContact CG1-CB 3.55Å; V135-R156 HydrophobicContact CG1-CG 3.72Å; H136-R156 CarbonylContact O-C 3.04Å; H136-R156 WeakPolarHBondContact O-CA 2.95Å; S137-R156 PolarHBondContact OG-N 3.46Å; R156-G158 PolarHBondContact O-N 2.88Å; R156-K170 WeakPolarHBondContact O-CE 3.37Å; R156-K170 PolarHBondContact O-NZ 2.68Å; R156-G738 VanDerWaalsContact CZ-O 3.22Å; R156-G738 PolarHBondContact NH1-O 3.19Å; R156-G738 PolarHBondContact NH2-O 3.45Å
157	Q	62.3	Low	65.2	Low	23 Å²	23	47.3 Å²	47.3	11%	0.107	27%	0.265	C	S	.	.			trans	-63	-25.9	-172	-59.8	92.6	-26.3	0	0	114.1	H136 Y138 L151 W152 G153 L154 V155	H136-Q157 PolarHBondContact O-N 2.89Å; Y138-Q157 HydrophobicContact CD2-CB 4.23Å; Y138-Q157 PolarHBondContact O-NE2 3.12Å; Y138-Q157 VanDerWaalsContact O-NE2 3.17Å; L151-Q157 HydrophobicContact CB-CB 3.85Å; W152-Q157 WeakPolarHBondContact O-CB 3.49Å; G153-Q157 VanDerWaalsContact C-CG 3.49Å; G153-Q157 WeakPolarHBondContact O-CG 3.44Å; G153-Q157 PolarHBondContact O-NE2 2.8Å; L154-Q157 VanDerWaalsContact C-NE2 3.31Å; L154-Q157 PolarHBondContact O-NE2 3.35Å; V155-Q157 PolarHBondContact O-N 2.92Å
158	G	72.2	Confident	65.9	Low	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-171.2	-175.9	0	0	0	0	0	113.6	H136 R156 Y168	H136-G158 PolarHBondContact N-O 2.94Å; R156-G158 PolarHBondContact O-N 2.88Å; G158-Y168 CarbonylContact C-O 3.57Å; G158-Y168 VanDerWaalsContact CA-O 3.23Å; G158-Y168 WeakPolarHBondContact CA-O 3.21Å
159	L	79.1	Confident	66.6	Low	21 Å²	21	43.1 Å²	43.1	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.9	173.9	-54	-179.3	0	0	0	108.9	L133 F134 V135 Y138 N167 Y168 K170 A173	L133-L159 HydrophobicContact CB-CB 4.22Å; L133-L159 HydrophobicContact CB-CD1 4.18Å; L133-L159 HydrophobicContact CD1-CD1 4.02Å; L133-L159 HydrophobicContact CD2-CB 4.06Å; F134-L159 CarbonylContact O-C 3.17Å; F134-L159 VanDerWaalsContact O-CA 3.27Å; F134-L159 WeakPolarHBondContact O-CA 3.4Å; V135-L159 HydrophobicContact CB-CD2 4.27Å; V135-L159 HydrophobicContact CG2-CD2 3.71Å; Y138-L159 PolarHBondContact OH-O 3.05Å; L159-N167 CarbonylContact O-C 3.6Å; L159-N167 WeakPolarHBondContact O-CA 3.21Å; L159-Y168 PolarHBondContact N-O 3.43Å; L159-Y168 PolarHBondContact O-N 2.76Å; L159-K170 HydrophobicContact CD2-CG 4.3Å; L159-K170 HydrophobicContact CG-CG 4.35Å; L159-A173 HydrophobicContact CD1-CB 3.47Å; L159-A173 VanDerWaalsContact CD1-CB 3.47Å
160	K	82.5	Confident	67.1	Low	63 Å²	63	41.2 Å²	41.2	27%	0.274	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.2	170.7	-173	157.5	-178.6	168.8	0	109.6	L133 F134 H136 G165 L166	L133-K160 WeakPolarHBondContact CA-O 3.43Å; F134-K160 HydrophobicContact CD1-CB 4.5Å; F134-K160 WeakPolarHBondContact CD1-O 3.48Å; F134-K160 HydrophobicContact CE1-CB 3.92Å; F134-K160 HydrophobicContact CE1-CG 4.11Å; F134-K160 WeakPolarHBondContact CE1-O 3.49Å; F134-K160 HydrophobicContact CE2-CB 4.09Å; F134-K160 HydrophobicContact CZ-CB 3.71Å; F134-K160 HydrophobicContact CZ-CD 4.1Å; F134-K160 HydrophobicContact CZ-CG 3.94Å; F134-K160 PolarHBondContact N-O 2.68Å; F134-K160 PolarHBondContact O-N 3.21Å; H136-K160 HydrophobicContact CB-CB 3.82Å; H136-K160 WeakPolarHBondContact CD2-CD 3.16Å; K160-G165 WeakPolarHBondContact CE-O 3.32Å; K160-L166 WeakPolarHBondContact CA-O 3.19Å
161	C	83.8	Confident	67.6	Low	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.5	172.8	-173.7	0	0	0	0	110.9	H131 S132 L133 C164 G165 L166 Y168	H131-C161 HydrophobicContact CB-CB 4.39Å; H131-C161 PolarHBondContact ND1-SG 3.09Å; S132-C161 CarbonylContact O-C 3.58Å; S132-C161 WeakPolarHBondContact O-CA 3.5Å; S132-C161 PolarHBondContact O-SG 3.19Å; L133-C161 HydrophobicContact CD2-CB 3.91Å; C161-C164 VanDerWaalsContact CB-SG 3.51Å; C161-C164 VanDerWaalsContact SG-SG 3.66Å; C161-G165 WeakPolarHBondContact O-CA 3.37Å; C161-G165 PolarHBondContact O-N 3.24Å; C161-G165 VanDerWaalsContact O-N 3.09Å; C161-L166 PolarHBondContact N-O 3.44Å; C161-Y168 HydrophobicContact CB-CE2 4.2Å
162	E	74.6	Confident	68.2	Low	122 Å²	122	43.5 Å²	43.5	57%	0.57	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.2	179.8	-176.3	172.7	-144.1	0	0	112.9	S132 F134	S132-E162 PolarHBondContact O-N 3.21Å; S132-E162 PolarHBondContact OG-OE2 2.97Å; F134-E162 HydrophobicContact CD1-CB 4.29Å; F134-E162 HydrophobicContact CE1-CB 4.32Å
163	G	69.4	Low	69.2	Low	21 Å²	21	36.7 Å²	36.7	22%	0.216	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-77.1	178.4	0	0	0	0	0	112.7	G165 G182 R184	G163-G165 VanDerWaalsContact C-N 3.28Å; G163-G165 PolarHBondContact O-N 2.87Å; G163-G182 CarbonylContact C-O 3.24Å; G163-R184 WeakPolarHBondContact O-CG 3.31Å; G163-R184 PolarHBondContact O-N 2.8Å
164	C	74.6	Confident	69.8	Low	2 Å²	2	37.2 Å²	37.2	1%	0.014	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.4	-173.6	67.2	0	0	0	0	114.7	H131 C161 L166 S181 V183 R185	H131-C164 PolarHBondContact CE1-SG 3.13Å; H131-C164 PolarHBondContact ND1-SG 3.35Å; H131-C164 VanDerWaalsContact ND1-SG 3.43Å; C161-C164 VanDerWaalsContact CB-SG 3.51Å; C161-C164 VanDerWaalsContact SG-SG 3.66Å; C164-L166 VanDerWaalsContact C-N 3.29Å; C164-L166 HydrophobicContact CB-CD1 4.49Å; C164-L166 HydrophobicContact CB-CG 4.28Å; C164-L166 PolarHBondContact O-N 2.64Å; C164-S181 WeakPolarHBondContact CB-OG 3.47Å; C164-V183 WeakPolarHBondContact CA-O 3.47Å; C164-R185 PolarHBondContact O-N 2.9Å
165	G	79	Confident	70.9	Confident	22 Å²	22	39.6 Å²	39.6	23%	0.227	19%	0.192	C	C	.	.			trans	79.9	-0.3	-179.3	0	0	0	0	0	115.8	K160 C161 G163	K160-G165 WeakPolarHBondContact CE-O 3.32Å; C161-G165 WeakPolarHBondContact O-CA 3.37Å; C161-G165 PolarHBondContact O-N 3.24Å; C161-G165 VanDerWaalsContact O-N 3.09Å; G163-G165 VanDerWaalsContact C-N 3.28Å; G163-G165 PolarHBondContact O-N 2.87Å
166	L	87	Confident	72.1	Confident	41 Å²	41	38.7 Å²	38.7	22%	0.215	19%	0.186	C	C	.	.			trans	-72.2	161.3	-179.7	-60.3	179	0	0	0	112.7	D145 K160 C161 C164 Y168	D145-L166 HydrophobicContact CB-CB 4.11Å; D145-L166 HydrophobicContact CB-CD2 4.35Å; K160-L166 WeakPolarHBondContact CA-O 3.19Å; C161-L166 PolarHBondContact N-O 3.44Å; C164-L166 VanDerWaalsContact C-N 3.29Å; C164-L166 HydrophobicContact CB-CD1 4.49Å; C164-L166 HydrophobicContact CB-CG 4.28Å; C164-L166 PolarHBondContact O-N 2.64Å; L166-Y168 HydrophobicContact CB-CE2 3.74Å; L166-Y168 WeakPolarHBondContact CB-OH 3.26Å; L166-Y168 WeakPolarHBondContact CD1-OH 3.5Å
167	N	85.5	Confident	72.2	Confident	22 Å²	22	39.5 Å²	39.5	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.8	-164.1	-48.9	-81.9	0	0	0	110.4	Y138 T142 C144 D145 L151 L159	Y138-N167 HydrophobicContact CE1-CB 4.19Å; Y138-N167 WeakPolarHBondContact CE1-OD1 3.41Å; Y138-N167 WeakPolarHBondContact OH-CB 3.47Å; Y138-N167 PolarHBondContact OH-OD1 3.09Å; T142-N167 HydrophobicContact CG2-CB 4.09Å; C144-N167 CarbonylContact C-O 3.52Å; C144-N167 WeakPolarHBondContact CA-O 3.36Å; D145-N167 WeakPolarHBondContact CB-O 3.27Å; D145-N167 PolarHBondContact N-O 3.41Å; D145-N167 PolarHBondContact OD2-N 3.07Å; D145-N167 PolarHBondContact OD2-ND2 2.67Å; L151-N167 HydrophobicContact CD1-CB 4.18Å; L159-N167 CarbonylContact O-C 3.6Å; L159-N167 WeakPolarHBondContact O-CA 3.21Å
168	Y	81.7	Confident	72.1	Confident	8 Å²	8	42.2 Å²	42.2	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.6	-168.6	-53.8	-84.3	0	0	0	112.1	H131 L133 D145 H146 G158 L159 C161 L166 I176	H131-Y168 PolarHBondContact CE1-OH 3.16Å; L133-Y168 HydrophobicContact CD2-CD2 3.62Å; L133-Y168 HydrophobicContact CD2-CE2 3.97Å; D145-Y168 HydrophobicContact CB-CE1 4.21Å; H146-Y168 HydrophobicContact CB-CD1 3.75Å; H146-Y168 HydrophobicContact CB-CE1 4.01Å; G158-Y168 CarbonylContact C-O 3.57Å; G158-Y168 VanDerWaalsContact CA-O 3.23Å; G158-Y168 WeakPolarHBondContact CA-O 3.21Å; L159-Y168 PolarHBondContact N-O 3.43Å; L159-Y168 PolarHBondContact O-N 2.76Å; C161-Y168 HydrophobicContact CB-CE2 4.2Å; L166-Y168 HydrophobicContact CB-CE2 3.74Å; L166-Y168 WeakPolarHBondContact CB-OH 3.26Å; L166-Y168 WeakPolarHBondContact CD1-OH 3.5Å; Y168-I176 HydrophobicContact CD1-CD1 3.37Å; Y168-I176 HydrophobicContact CD1-CG1 3.61Å; Y168-I176 HydrophobicContact CD2-CD1 3.72Å; Y168-I176 HydrophobicContact CE1-CD1 3.7Å; Y168-I176 HydrophobicContact CE1-CG1 3.77Å; Y168-I176 HydrophobicContact CE1-CG2 3.85Å; Y168-I176 HydrophobicContact CE2-CD1 4.03Å; Y168-I176 HydrophobicContact CG-CD1 3.35Å; Y168-I176 HydrophobicContact CG-CG1 4.13Å
169	H	71.1	Confident	71.7	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.056	24%	0.239	C	C	.	.			trans	-66.4	151.2	165.5	-64.7	109.7	0	0	0	110.6	C144 C147 E149 M150 L151 R171 C172 A173	C144-H169 VanDerWaalsContact CB-CE1 3.46Å; C144-H169 WeakPolarHBondContact CB-CE1 3.41Å; C144-H169 VanDerWaalsContact CB-ND1 3.3Å; C144-H169 WeakPolarHBondContact CB-ND1 2.98Å; C144-H169 PolarHBondContact SG-N 2.9Å; C144-H169 VanDerWaalsContact SG-N 3.38Å; C147-H169 PolarHBondContact SG-ND1 2.67Å; C147-H169 VanDerWaalsContact SG-ND1 3.36Å; E149-H169 PolarHBondContact O-CE1 3.19Å; M150-H169 PolarHBondContact O-CE1 3.48Å; M150-H169 PolarHBondContact O-NE2 3.45Å; L151-H169 HydrophobicContact CD2-CB 4.42Å; H169-R171 VanDerWaalsContact C-N 3.28Å; H169-R171 HydrophobicContact CB-CG 3.52Å; H169-R171 PolarHBondContact CE1-NH2 3.22Å; H169-R171 PolarHBondContact ND1-NH2 2.95Å; H169-R171 PolarHBondContact O-N 2.8Å; H169-C172 HydrophobicContact CB-CB 4.04Å; H169-C172 WeakPolarHBondContact O-CA 3.5Å; H169-C172 PolarHBondContact O-N 3.02Å; H169-A173 PolarHBondContact O-N 2.75Å; H169-A173 VanDerWaalsContact O-N 3.16Å
170	K	69.2	Low	71.3	Confident	62 Å²	62	46.2 Å²	46.2	27%	0.27	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-51.7	-48.7	164	-62.3	168.4	-170.4	160.8	0	110.7	R156 L159 C172 A173 F174 S584	R156-K170 WeakPolarHBondContact O-CE 3.37Å; R156-K170 PolarHBondContact O-NZ 2.68Å; L159-K170 HydrophobicContact CD2-CG 4.3Å; L159-K170 HydrophobicContact CG-CG 4.35Å; K170-C172 PolarHBondContact O-N 3.21Å; K170-A173 VanDerWaalsContact O-CB 3.3Å; K170-A173 WeakPolarHBondContact O-CB 3.4Å; K170-A173 PolarHBondContact O-N 3.25Å; K170-A173 VanDerWaalsContact O-N 3.14Å; K170-F174 VanDerWaalsContact O-CE1 3.32Å; K170-F174 WeakPolarHBondContact O-CE1 3.31Å; K170-S584 WeakPolarHBondContact CB-OG 3.47Å
171	R	67.1	Low	70.5	Confident	104 Å²	104	45.8 Å²	45.8	39%	0.392	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.7	-2.7	172.6	65.2	155.9	-165.1	-176	5.3	116.4	E149 H169 F174	E149-R171 IonicContact OE2-CZ 3.22Å; E149-R171 IonicContact OE2-NH1 3.77Å; E149-R171 PolarHBondContact OE2-NH1 2.71Å; E149-R171 IonicContact OE2-NH2 2.81Å; E149-R171 PolarHBondContact OE2-NH2 2.84Å; H169-R171 VanDerWaalsContact C-N 3.28Å; H169-R171 HydrophobicContact CB-CG 3.52Å; H169-R171 PolarHBondContact CE1-NH2 3.22Å; H169-R171 PolarHBondContact ND1-NH2 2.95Å; H169-R171 PolarHBondContact O-N 2.8Å; R171-F174 VanDerWaalsContact C-CE1 3.47Å; R171-F174 VanDerWaalsContact C-CZ 3.48Å; R171-F174 HydrophobicContact CB-CZ 4.44Å; R171-F174 WeakPolarHBondContact O-CZ 3.43Å
172	C	69.4	Low	69.4	Low	8 Å²	8	47 Å²	47	5%	0.054	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-111.3	-16	174.8	-68.7	0	0	0	0	112.5	C147 H169 K170 F174 K175 I176	C147-C172 VanDerWaalsContact SG-SG 3.68Å; H169-C172 HydrophobicContact CB-CB 4.04Å; H169-C172 WeakPolarHBondContact O-CA 3.5Å; H169-C172 PolarHBondContact O-N 3.02Å; K170-C172 PolarHBondContact O-N 3.21Å; C172-F174 PolarHBondContact O-N 2.88Å; C172-K175 PolarHBondContact O-N 3.36Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.86Å
173	A	66.5	Low	68.4	Low	11 Å²	11	46.1 Å²	46.1	9%	0.091	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-28.6	-172.5	0	0	0	0	0	115.2	L133 L159 H169 K170 R611	L133-A173 HydrophobicContact CD1-CB 4.25Å; L159-A173 HydrophobicContact CD1-CB 3.47Å; L159-A173 VanDerWaalsContact CD1-CB 3.47Å; H169-A173 PolarHBondContact O-N 2.75Å; H169-A173 VanDerWaalsContact O-N 3.16Å; K170-A173 VanDerWaalsContact O-CB 3.3Å; K170-A173 WeakPolarHBondContact O-CB 3.4Å; K170-A173 PolarHBondContact O-N 3.25Å; K170-A173 VanDerWaalsContact O-N 3.14Å; A173-R611 PolarHBondContact O-NH1 2.99Å; A173-R611 PolarHBondContact O-NH2 3.42Å
174	F	54	Low	67.2	Low	62 Å²	62	54.4 Å²	54.4	27%	0.272	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.4	-177.7	43.2	-84.7	0	0	0	113.7	K170 R171 C172 I589	K170-F174 VanDerWaalsContact O-CE1 3.32Å; K170-F174 WeakPolarHBondContact O-CE1 3.31Å; R171-F174 VanDerWaalsContact C-CE1 3.47Å; R171-F174 VanDerWaalsContact C-CZ 3.48Å; R171-F174 HydrophobicContact CB-CZ 4.44Å; R171-F174 WeakPolarHBondContact O-CZ 3.43Å; C172-F174 PolarHBondContact O-N 2.88Å; F174-I589 HydrophobicContact CB-CD1 4.31Å; F174-I589 HydrophobicContact CD1-CD1 3.23Å; F174-I589 HydrophobicContact CD1-CG1 3.9Å; F174-I589 HydrophobicContact CD2-CD1 4.32Å; F174-I589 HydrophobicContact CE1-CD1 3.39Å; F174-I589 HydrophobicContact CE1-CG1 3.62Å; F174-I589 HydrophobicContact CE1-CG2 4.48Å; F174-I589 HydrophobicContact CE2-CD1 4.45Å; F174-I589 HydrophobicContact CG-CD1 3.72Å; F174-I589 HydrophobicContact CZ-CD1 4.01Å; F174-I589 HydrophobicContact CZ-CG1 4.31Å; F174-I589 HydrophobicContact CZ-CG2 4.42Å
175	K	62.6	Low	65.6	Low	136 Å²	136	63.4 Å²	63.4	59%	0.591	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-6.8	175.2	-59.8	-172.2	179.7	-174.5	0	113.2	H146 C172	H146-K175 PolarHBondContact CE1-O 3.19Å; H146-K175 WeakPolarHBondContact NE2-CB 3.5Å; C172-K175 PolarHBondContact O-N 3.36Å
176	I	68	Low	63.4	Low	15 Å²	15	73.8 Å²	73.8	8%	0.077	35%	0.347	C	S	.	.	S	Bend	trans	-71.1	128.2	171.5	-46.8	159.5	0	0	0	107.3	L133 H146 Y168 C172	L133-I176 HydrophobicContact CD1-CD1 3.89Å; H146-I176 HydrophobicContact CB-CG1 4.35Å; Y168-I176 HydrophobicContact CD1-CD1 3.37Å; Y168-I176 HydrophobicContact CD1-CG1 3.61Å; Y168-I176 HydrophobicContact CD2-CD1 3.72Å; Y168-I176 HydrophobicContact CE1-CD1 3.7Å; Y168-I176 HydrophobicContact CE1-CG1 3.77Å; Y168-I176 HydrophobicContact CE1-CG2 3.85Å; Y168-I176 HydrophobicContact CE2-CD1 4.03Å; Y168-I176 HydrophobicContact CG-CD1 3.35Å; Y168-I176 HydrophobicContact CG-CG1 4.13Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 2.86Å
177	P	57.2	Low	60.8	Low	73 Å²	73	80 Å²	80	47%	0.474	37%	0.367	S	S	.	.			trans	-60.6	158.4	169.1	-18	31.1	0	0	0	110.6	H131 N179	H131-P177 PolarHBondContact CD2-O 3.42Å; P177-N179 PolarHBondContact O-N 3.1Å; P177-N179 PolarHBondContact O-OD1 3.46Å
178	N	59.2	Low	58	Low	81 Å²	81	86.3 Å²	86.3	43%	0.433	40%	0.401	S	S	.	.	S	Bend	trans	-76.6	45.1	176.1	-71.1	-25.7	0	0	0	112	I128 R129 P130	I128-N178 CarbonylContact C-O 3.6Å; I128-N178 WeakPolarHBondContact CA-O 3.45Å; I128-N178 HydrophobicContact CB-CB 4.3Å; I128-N178 WeakPolarHBondContact CB-O 3.25Å; I128-N178 WeakPolarHBondContact CG2-O 3.34Å; I128-N178 WeakPolarHBondContact O-CB 3.44Å; I128-N178 VanDerWaalsContact O-O 3.04Å; R129-N178 CarbonylContact C-O 3.43Å; R129-N178 PolarHBondContact N-O 2.78Å; R129-N178 CarbonylContact O-C 3.13Å; P130-N178 HydrophobicContact CB-CB 4.28Å
179	N	65.1	Low	55.5	Low	98 Å²	98	91.5 Å²	91.5	52%	0.524	44%	0.438	S	S	.	.			trans	-109.2	49.1	-174.8	66.2	-14.5	0	0	0	113.7	I128 P177 S181	I128-N179 HydrophobicContact CG2-CB 3.94Å; P177-N179 PolarHBondContact O-N 3.1Å; P177-N179 PolarHBondContact O-OD1 3.46Å; N179-S181 PolarHBondContact O-N 3.22Å; N179-S181 VanDerWaalsContact O-N 3.08Å
180	C	70.6	Confident	53.5	Low	7 Å²	7	96.6 Å²	96.6	5%	0.047	47%	0.47	C	S	.	.			trans	-69.1	105.7	178	179.8	0	0	0	0	111.7	R129 H131 G182	R129-C180 WeakPolarHBondContact CD-O 3.32Å; R129-C180 HydrophobicContact CG-CB 4.42Å; R129-C180 WeakPolarHBondContact O-CA 3.35Å; R129-C180 WeakPolarHBondContact O-CB 3.04Å; R129-C180 PolarHBondContact O-N 2.88Å; H131-C180 HydrophobicContact CB-CB 4.36Å; H131-C180 VanDerWaalsContact CE1-CA 3.49Å; H131-C180 WeakPolarHBondContact CE1-CA 3.38Å; H131-C180 WeakPolarHBondContact ND1-CB 3.29Å; C180-G182 PolarHBondContact O-N 3.03Å
181	S	65.8	Low	51.6	Low	54 Å²	54	99.9 Å²	99.9	38%	0.378	50%	0.495	S	S	.	.			trans	-58.8	-5.7	-179.2	66.6	0	0	0	0	116.4	C164 N179 V183	C164-S181 WeakPolarHBondContact CB-OG 3.47Å; N179-S181 PolarHBondContact O-N 3.22Å; N179-S181 VanDerWaalsContact O-N 3.08Å; S181-V183 PolarHBondContact O-N 3.19Å
182	G	60.5	Low	49.7	Very low	25 Å²	25	100 Å²	100	26%	0.258	51%	0.512	S	S	.	.			trans	69.4	-36	177.1	0	0	0	0	0	116	G163 C180	G163-G182 CarbonylContact C-O 3.24Å; C180-G182 PolarHBondContact O-N 3.03Å
183	V	52.7	Low	47.7	Very low	104 Å²	104	107.9 Å²	107.9	63%	0.63	55%	0.553	S	S	*	*	S	Bend	trans	-82.1	126	179.5	-178.4	0	0	0	0	110.4	C164 S181 R185	C164-V183 WeakPolarHBondContact CA-O 3.47Å; S181-V183 PolarHBondContact O-N 3.19Å; V183-R185 PolarHBondContact O-N 2.82Å
184	R	44.7	Very low	45.9	Very low	195 Å²	195	114.5 Å²	114.5	74%	0.736	59%	0.592	S	S	*	*			trans	-61.3	100.5	169.1	-74.1	-176.1	174.8	-177.1	0.8	110.3	G163 R186	G163-R184 WeakPolarHBondContact O-CG 3.31Å; G163-R184 PolarHBondContact O-N 2.8Å; R184-R186 PolarHBondContact O-N 2.79Å
185	R	40	Very low	44.5	Very low	192 Å²	192	115.2 Å²	115.2	73%	0.725	62%	0.617	S	S	*	*			trans	-66.4	107.5	172.8	-76.9	-170	174.1	-162.7	-1.1	109.8	C164 V183 R187	C164-R185 PolarHBondContact O-N 2.9Å; V183-R185 PolarHBondContact O-N 2.82Å; R185-R187 PolarHBondContact O-N 3.46Å; R185-R187 VanDerWaalsContact O-N 3.09Å
186	R	32.8	Very low	42.7	Very low	240 Å²	240	112.4 Å²	112.4	91%	0.906	63%	0.626	S	S	*	*			trans	-66.2	102.2	158.8	-67.5	-172	-175.3	-164.1	2.9	107.5	R184	R184-R186 PolarHBondContact O-N 2.79Å
187	R	33.2	Very low	40.9	Very low	172 Å²	172	120 Å²	120	65%	0.649	67%	0.666	S	S	*	*			trans	-73.8	128.6	162.1	-83	-169.7	177.7	128.6	-2.8	108	D145 R185 S189	D145-R187 IonicContact OD1-CZ 3.49Å; D145-R187 VanDerWaalsContact OD1-CZ 3.22Å; D145-R187 IonicContact OD1-NH1 3.85Å; D145-R187 PolarHBondContact OD1-NH1 3.32Å; D145-R187 IonicContact OD1-NH2 2.59Å; D145-R187 PolarHBondContact OD1-NH2 3.26Å; D145-R187 IonicContact OD2-NH1 3.84Å; R185-R187 PolarHBondContact O-N 3.46Å; R185-R187 VanDerWaalsContact O-N 3.09Å; R187-S189 PolarHBondContact O-N 3.35Å
188	N	26.2	Very low	39.4	Very low	153 Å²	153	122.2 Å²	122.2	82%	0.818	68%	0.677	S	S	*	*			trans	-71.2	117.4	167.8	-71.4	-5.5	0	0	0	108.7
189	S	29.5	Very low	37.8	Very low	117 Å²	117	126 Å²	126	82%	0.818	70%	0.697	S	S	*	*			trans	-109.4	90.2	175.2	56.7	0	0	0	0	109.8	R187	R187-S189 PolarHBondContact O-N 3.35Å
190	T	30	Very low	36	Very low	120 Å²	120	128 Å²	128	74%	0.736	71%	0.713	S	S	*	*			trans	-126.3	93.4	-179.2	-48.5	0	0	0	0	111.2
191	V	27.9	Very low	33.8	Very low	130 Å²	130	130.7 Å²	130.7	79%	0.788	74%	0.742	S	S	*	*			trans	-138.6	72.7	149.7	-171.6	0	0	0	0	107.9
192	S	28.5	Very low	32	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	77%	0.768	S	S	*	*			trans	-131.4	126.9	163.8	-62.3	0	0	0	0	106.9
193	L	27.3	Very low	30.8	Very low	172 Å²	172	143.2 Å²	143.2	90%	0.901	79%	0.786	S	S	*	*			trans	-127.1	84	-178.9	-86.9	174.2	0	0	0	111
194	T	27.8	Very low	29.5	Very low	151 Å²	151	145.7 Å²	145.7	93%	0.926	80%	0.795	S	S	*	*			trans	-178.4	131.4	150.9	28	0	0	0	0	107.1
195	G	25.5	Very low	28.7	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	80%	0.798	S	S	*	*			cis	166.6	97.5	-11.7	0	0	0	0	0	111.7
196	G	24.4	Very low	28.1	Very low	76 Å²	76	137.6 Å²	137.6	78%	0.784	80%	0.804	S	S	*	*			trans	77	163.2	-175.6	0	0	0	0	0	114
197	I	29.5	Very low	27.7	Very low	176 Å²	176	135 Å²	135	90%	0.903	80%	0.802	S	S	*	*			cis	-128.4	159.9	1.9	-68	175.4	0	0	0	109.7
198	V	26.1	Very low	28	Very low	118 Å²	118	132 Å²	132	72%	0.715	81%	0.805	S	S	*	*			trans	-90.1	134.7	-170.7	175.5	0	0	0	0	113.1
199	N	26.5	Very low	28.1	Very low	160 Å²	160	130.2 Å²	130.2	86%	0.856	81%	0.805	S	S	*	*				-166.4	164.3	126.6	-114.5	-33.4	0	0	0	115.4
200	V	25.9	Very low	28.9	Very low	141 Å²	141	130.4 Å²	130.4	86%	0.855	80%	0.803	S	S	*	*			trans	-136.2	137.3	-167.5	173.3	0	0	0	0	112.5
201	G	26.1	Very low	29.9	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	80%	0.799	S	S	*	*			trans	132.4	113.4	169.1	0	0	0	0	0	111.7
202	R	26.7	Very low	29.9	Very low	243 Å²	243	130.6 Å²	130.6	92%	0.917	80%	0.795	S	S	*	*				70.2	143.4	68.7	-85.3	-163.9	162.8	-165.3	-2	114.2
203	P	35.7	Very low	29.8	Very low	99 Å²	99	135.5 Å²	135.5	64%	0.643	80%	0.798	S	S	*	*			cis	-144.9	-179.1	-37.1	41.2	-23.5	0	0	0	114.9
204	L	25.3	Very low	29.9	Very low	156 Å²	156	133 Å²	133	82%	0.817	79%	0.79	S	S	*	*			trans	67.2	114.6	153.8	-71.9	163.7	0	0	0	121.9
205	S	27.6	Very low	30	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	78%	0.782	S	S	*	*			trans	37.2	115.5	132.7	-50	0	0	0	0	123.5
206	A	27.8	Very low	30.1	Very low	103 Å²	103	135.8 Å²	135.8	85%	0.851	78%	0.782	S	S	*	*				-168.9	157.3	129.1	0	0	0	0	0	112
207	E	25.2	Very low	30.5	Very low	186 Å²	186	135.6 Å²	135.6	87%	0.869	77%	0.773	S	S	*	*			trans	-93.7	-179.5	162.1	-55.6	-176.7	109.9	0	0	109.5
208	P	39.1	Very low	30.6	Very low	109 Å²	109	134.3 Å²	134.3	71%	0.708	77%	0.767	S	S	*	*			cis	-136.7	150	-3	32	-10.1	0	0	0	118
209	S	26.9	Very low	30.7	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	77%	0.77	S	S	*	*			trans	65.8	-170.6	143.5	-40.9	0	0	0	0	118.9
210	P	46.9	Very low	30.8	Very low	120 Å²	120	133 Å²	133	78%	0.779	76%	0.763	S	S	*	*				-130	-149.1	-129.4	40.3	-14.4	0	0	0	112.3
211	P	51.8	Low	31.8	Very low	100 Å²	100	131.5 Å²	131.5	65%	0.649	76%	0.756	S	S	*	*			cis	-134.8	-152.6	-10.4	38.3	-15.2	0	0	0	114.8
212	H	27.6	Very low	31.9	Very low	155 Å²	155	134.2 Å²	134.2	72%	0.718	76%	0.76	S	S	*	*			trans	95.7	119.8	173.9	-61.5	-71	0	0	0	116.9
213	Y	27.1	Very low	31.9	Very low	210 Å²	210	127.8 Å²	127.8	82%	0.824	75%	0.752	S	S	*	*				64.8	132.1	77.3	-85.6	-88	0	0	0	112.3
214	T	28.6	Very low	32.8	Very low	119 Å²	119	128 Å²	128	73%	0.73	75%	0.753	S	S	*	*			cis	-127.4	159.9	4.6	37.3	0	0	0	0	110.2
215	D	28.9	Very low	33	Very low	141 Å²	141	127.5 Å²	127.5	75%	0.754	75%	0.751	S	S	*	*			cis	85.7	152.4	47	-144	-0.3	0	0	0	115
216	D	29.4	Very low	33.1	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	75%	0.746	S	S	*	*			trans	62.9	151.8	-170.8	-75.4	-45.5	0	0	0	118.1
217	A	31.8	Very low	33.2	Very low	72 Å²	72	129.2 Å²	129.2	60%	0.595	74%	0.737	S	S	*	*			cis	151.6	167.2	-34.4	0	0	0	0	0	110.5
218	L	31.9	Very low	33.3	Very low	150 Å²	150	127.4 Å²	127.4	79%	0.785	73%	0.726	S	S	*	*			trans	75	145	165.5	-45.7	-174.1	0	0	0	116.6
219	L	28.9	Very low	32.6	Very low	148 Å²	148	128 Å²	128	78%	0.775	72%	0.723	S	S	*	*			cis	-155	175.4	-7.4	-118.5	168.4	0	0	0	111.4
220	S	26.8	Very low	32.5	Very low	102 Å²	102	130 Å²	130	71%	0.713	72%	0.72	S	S	*	*			trans	-95.9	-149.3	176.5	-46.3	0	0	0	0	110.5
221	P	48.2	Very low	31.4	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	72%	0.72	S	S	*	*			cis	-143.3	-166.3	-9.8	28.2	-0.6	0	0	0	115.8
222	V	27	Very low	30.1	Very low	121 Å²	121	134.3 Å²	134.3	73%	0.733	73%	0.725	S	S	*	*			trans	68.7	121	160	-154.8	0	0	0	0	116.6
223	S	28.1	Very low	29.9	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	73%	0.729	S	S	*	*			cis	82.4	165.2	39.4	-49.5	0	0	0	0	114.9
224	P	53.8	Low	29.6	Very low	102 Å²	102	136.5 Å²	136.5	66%	0.662	73%	0.728	S	S	*	*				-133.8	178.8	-53.5	38.2	-23	0	0	0	113.6
225	N	29.3	Very low	30.3	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	73%	0.732	S	S	*	*				164.2	146.1	120.7	-95	-27.3	0	0	0	119.8
226	V	30.3	Very low	30.2	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.685	73%	0.732	S	S	*	*			trans	71.4	112.3	139	173.5	0	0	0	0	122.8
227	E	28.7	Very low	30.2	Very low	141 Å²	141	136.9 Å²	136.9	66%	0.659	73%	0.734	S	S	*	*				41.3	155.1	127.4	-48.2	-160.4	128.4	0	0	123.3
228	K	27.9	Very low	29.8	Very low	148 Å²	148	139.7 Å²	139.7	64%	0.643	73%	0.734	S	S	*	*			cis	-164.3	159.2	8.3	-132.3	162.2	-167.3	146.5	0	114.3
229	N	25.1	Very low	29.7	Very low	121 Å²	121	142.2 Å²	142.2	65%	0.647	73%	0.733	S	S	*	*			trans	72.9	137.4	144.4	-83.3	1.2	0	0	0	126.6
230	Q	24.1	Very low	29.6	Very low	158 Å²	158	146.4 Å²	146.4	74%	0.738	74%	0.739	S	S	*	*			trans	73.4	122.6	143.7	-70.1	166.4	4.2	0	0	119.2
231	L	25.2	Very low	29.6	Very low	149 Å²	149	146.2 Å²	146.2	78%	0.78	74%	0.744	S	S	*	*				69.8	136.5	80.5	-91	81.8	0	0	0	113.3
232	E	24.6	Very low	28.4	Very low	161 Å²	161	146.7 Å²	146.7	75%	0.752	75%	0.749	S	S	*	*			cis	-161.7	168.9	12.3	-152.3	172.9	-148.6	0	0	114
233	Y	21.5	Very low	28.4	Very low	203 Å²	203	146.9 Å²	146.9	80%	0.796	75%	0.751	S	S	*	*			trans	83	170.1	151.2	-128	-106.4	0	0	0	124.4
234	Y	22.6	Very low	28.3	Very low	208 Å²	208	148.5 Å²	148.5	82%	0.816	75%	0.747	S	S	*	*			trans	-126.5	-171.7	-163.6	-81.7	-90.7	0	0	0	112
235	P	43.2	Very low	26.9	Very low	124 Å²	124	149.3 Å²	149.3	81%	0.805	76%	0.755	S	S	*	*			cis	-130.9	-160.6	-24.6	28.8	-4.2	0	0	0	113.5
236	G	26.3	Very low	26.8	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	75%	0.753	S	S	*	*			trans	-139.3	-171.3	178.5	0	0	0	0	0	117.7
237	R	28.4	Very low	26.7	Very low	216 Å²	216	154 Å²	154	82%	0.815	76%	0.762	S	S	*	*			trans	-161.3	141.4	178.7	-104.2	-174.7	172.6	171.8	0.7	111.9
238	E	25.1	Very low	26.5	Very low	131 Å²	131	150.6 Å²	150.6	61%	0.612	76%	0.764	S	S	*	*				53.4	139.5	91.7	-68	-170.6	-157.8	0	0	116.9
239	R	27.8	Very low	26.5	Very low	203 Å²	203	155.3 Å²	155.3	77%	0.766	78%	0.778	S	S	*	*			cis	-134.6	-124.3	13.1	-145.4	169.9	-69.7	145.9	0	113.4
240	R	27.2	Very low	26.7	Very low	237 Å²	237	155.2 Å²	155.2	89%	0.894	78%	0.784	S	S	*	*			cis	-145.2	-156.2	2.6	-152.2	-166.9	-66.5	-153.1	2.7	109.1
241	A	27.7	Very low	27.4	Very low	98 Å²	98	155.5 Å²	155.5	81%	0.81	79%	0.788	S	S	*	*			trans	-157.6	169.8	176.6	0	0	0	0	0	112.9
242	S	22.2	Very low	27.9	Very low	118 Å²	118	156.3 Å²	156.3	83%	0.825	79%	0.788	S	S	*	*			trans	-154.2	159.1	170.6	-166	0	0	0	0	113.8
243	T	26.9	Very low	28.2	Very low	126 Å²	126	154.8 Å²	154.8	77%	0.773	78%	0.784	S	S	*	*			trans	-156.6	174.3	-176.9	65.1	0	0	0	0	109.3
244	Q	27.5	Very low	28.8	Very low	142 Å²	142	150.8 Å²	150.8	66%	0.664	78%	0.777	S	S	*	*			cis	-159.6	164.6	6.3	-152.2	178.4	3.9	0	0	110.1	Y246	Q244-Y246 VanDerWaalsContact CD-CE2 3.5Å; Q244-Y246 HydrophobicContact CG-CE2 4.41Å; Q244-Y246 VanDerWaalsContact NE2-CE2 3.28Å
245	S	24	Very low	29.2	Very low	120 Å²	120	150.3 Å²	150.3	84%	0.839	78%	0.779	S	S	*	*			trans	-150.2	160.7	159.3	59.2	0	0	0	0	112.3
246	Y	27	Very low	28.9	Very low	189 Å²	189	149.7 Å²	149.7	74%	0.741	77%	0.768	S	S	*	*			trans	-142.1	156.4	-163.3	-97.5	-86.6	0	0	0	113.1	Q244	Q244-Y246 VanDerWaalsContact CD-CE2 3.5Å; Q244-Y246 HydrophobicContact CG-CE2 4.41Å; Q244-Y246 VanDerWaalsContact NE2-CE2 3.28Å
247	I	27.3	Very low	29.4	Very low	169 Å²	169	151.4 Å²	151.4	87%	0.867	76%	0.759	S	S	*	*			trans	-161.5	151.8	143.2	-102.2	150.9	0	0	0	109.3
248	G	25.6	Very low	29.8	Very low	68 Å²	68	148.9 Å²	148.9	70%	0.701	76%	0.761	S	S	*	*			trans	-74	-177.2	-169.7	0	0	0	0	0	116
249	R	27	Very low	30.5	Very low	248 Å²	248	147 Å²	147	94%	0.936	76%	0.762	S	S	*	*			cis	-152.4	-172.7	28	-64.7	-179.5	176.1	179.5	-1.1	109.8
250	P	29	Very low	31.3	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	76%	0.756	S	S	*	*			cis	-124.3	176.9	-7.4	41.1	-25.8	0	0	0	115
251	I	39	Very low	32.3	Very low	163 Å²	163	139 Å²	139	84%	0.836	75%	0.75	S	S	*	*			trans	-98.8	93.2	-177.5	-55.3	170	0	0	0	110.3
252	E	36.2	Very low	33.4	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	75%	0.747	S	S	*	*			trans	-149.7	-8.7	165.8	-143.4	169.8	176.9	0	0	116.4
253	L	31.5	Very low	35.4	Very low	129 Å²	129	140.4 Å²	140.4	68%	0.675	73%	0.728	S	S	*	*	S	Bend	trans	-89.8	-22.1	-177.1	-94.9	70.2	0	0	0	115.7	K255 I256	L253-K255 PolarHBondContact O-N 3.41Å; L253-K255 VanDerWaalsContact O-N 3.11Å; L253-I256 PolarHBondContact O-N 3.25Å
254	D	33.7	Very low	37.6	Very low	119 Å²	119	137.9 Å²	137.9	64%	0.636	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-18.1	-171.3	-73.7	-36.9	0	0	0	114.6	I256	D254-I256 VanDerWaalsContact C-N 3.33Å
255	K	31.7	Very low	40.2	Very low	198 Å²	198	132.2 Å²	132.2	86%	0.861	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-11.8	173.7	-71.8	-174.8	177.2	177.7	0	114	L253	L253-K255 PolarHBondContact O-N 3.41Å; L253-K255 VanDerWaalsContact O-N 3.11Å
256	I	36.2	Very low	43.3	Very low	112 Å²	112	129.8 Å²	129.8	57%	0.574	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-22.4	-177.2	-61.6	176.6	0	0	0	112.1	L253 D254 S259	L253-I256 PolarHBondContact O-N 3.25Å; D254-I256 VanDerWaalsContact C-N 3.33Å; I256-S259 PolarHBondContact O-OG 3.39Å
257	L	35.7	Very low	46.3	Very low	108 Å²	108	123 Å²	123	57%	0.565	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-85.7	-15.4	-176	-70.6	173.9	0	0	0	114.8
258	L	37.6	Very low	49	Very low	163 Å²	163	119.6 Å²	119.6	85%	0.853	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-84.7	-6.1	-177.9	-79.6	161.4	0	0	0	115
259	S	39.7	Very low	51.9	Low	92 Å²	92	121.1 Å²	121.1	64%	0.643	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-105	2.1	-175.7	57.4	0	0	0	0	115.1	I256 V261	I256-S259 PolarHBondContact O-OG 3.39Å; S259-V261 PolarHBondContact O-N 2.88Å
260	K	43.9	Very low	54.2	Low	146 Å²	146	112.4 Å²	112.4	64%	0.635	59%	0.587	S	S	*	*			trans	-71.3	120.2	-179.5	-72.4	-173.2	176.3	-179.5	0	111.9	K262	K260-K262 PolarHBondContact O-N 2.8Å
261	V	49.9	Very low	56.5	Low	125 Å²	125	109.2 Å²	109.2	76%	0.758	57%	0.567	S	S	*	*			trans	-56.3	130.7	178.6	179.3	0	0	0	0	110.9	S259 V263	S259-V261 PolarHBondContact O-N 2.88Å; V261-V263 HydrophobicContact CG1-CG2 4.17Å; V261-V263 PolarHBondContact O-N 2.99Å
262	K	49.3	Very low	58.1	Low	175 Å²	175	102.4 Å²	102.4	76%	0.761	53%	0.531	S	S	*	.			trans	-80.3	79.8	-178.9	-73.1	179.6	-178.4	173.7	0	111.4	K260 N312	K260-K262 PolarHBondContact O-N 2.8Å; K262-N312 CarbonylContact C-O 3.52Å; K262-N312 VanDerWaalsContact C-O 3.24Å; K262-N312 WeakPolarHBondContact CA-O 3.39Å; K262-N312 VanDerWaalsContact CB-O 3.3Å; K262-N312 WeakPolarHBondContact CB-O 3.19Å
263	V	64.4	Low	58.8	Low	71 Å²	71	101.1 Å²	101.1	43%	0.43	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-75.6	128	-178.2	-174.7	0	0	0	0	110.9	V261 N312 N313 C314	V261-V263 HydrophobicContact CG1-CG2 4.17Å; V261-V263 PolarHBondContact O-N 2.99Å; V263-N312 CarbonylContact O-C 3.53Å; V263-N313 PolarHBondContact O-N 3.42Å; V263-C314 HydrophobicContact CB-CB 4.47Å; V263-C314 HydrophobicContact CG1-CB 4.48Å; V263-C314 WeakPolarHBondContact O-CB 3.39Å; V263-C314 PolarHBondContact O-N 2.75Å
264	P	73.6	Confident	60.7	Low	74 Å²	74	103.9 Å²	103.9	48%	0.481	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-70	156.7	174.7	30.4	-35.6	0	0	0	112.3	N312	P264-N312 WeakPolarHBondContact CA-OD1 3.31Å; P264-N312 HydrophobicContact CB-CB 4.26Å; P264-N312 WeakPolarHBondContact CB-OD1 3.16Å
265	H	83.1	Confident	62.7	Low	22 Å²	22	104 Å²	104	10%	0.102	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-81.7	125.9	179.2	-72.7	-92.6	0	0	0	112.5	F267 C295 C298 P311	H265-F267 VanDerWaalsContact C-N 3.34Å; H265-F267 HydrophobicContact CB-CD2 3.85Å; H265-F267 HydrophobicContact CB-CE1 4.22Å; H265-F267 HydrophobicContact CB-CE2 3.42Å; H265-F267 VanDerWaalsContact CB-CE2 3.42Å; H265-F267 HydrophobicContact CB-CG 4.42Å; H265-F267 HydrophobicContact CB-CZ 3.61Å; H265-F267 AromaticContact CG-CZ 3.98Å; H265-F267 PolarHBondContact O-N 3.5Å; H265-C295 HydrophobicContact CB-CB 4.12Å; H265-C295 PolarHBondContact ND1-SG 3.21Å; H265-C298 PolarHBondContact CE1-SG 2.86Å; H265-C298 PolarHBondContact ND1-SG 3.39Å; H265-P311 PolarHBondContact CD2-O 2.81Å; H265-P311 VanDerWaalsContact CD2-O 3.23Å; H265-P311 PolarHBondContact NE2-O 3.28Å
266	T	87.4	Confident	65	Low	70 Å²	70	96.1 Å²	96.1	43%	0.429	51%	0.512	S	S	.	.			trans	-76.9	80.5	174.2	-42.6	0	0	0	0	111.1	L268 C295 K296 D297	T266-L268 PolarHBondContact O-N 2.89Å; T266-C295 WeakPolarHBondContact O-CA 3.26Å; T266-K296 HydrophobicContact CG2-CB 4.48Å; T266-K296 PolarHBondContact O-N 3.33Å; T266-D297 WeakPolarHBondContact CB-OD2 3.5Å; T266-D297 PolarHBondContact OG1-OD2 3.37Å
267	F	90.1	Very high	67.4	Low	45 Å²	45	94.2 Å²	94.2	20%	0.197	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.9	-177.3	-77.7	-59.6	0	0	0	113.8	H265 L293 C295 F300 A307 V310	H265-F267 VanDerWaalsContact C-N 3.34Å; H265-F267 HydrophobicContact CB-CD2 3.85Å; H265-F267 HydrophobicContact CB-CE1 4.22Å; H265-F267 HydrophobicContact CB-CE2 3.42Å; H265-F267 VanDerWaalsContact CB-CE2 3.42Å; H265-F267 HydrophobicContact CB-CG 4.42Å; H265-F267 HydrophobicContact CB-CZ 3.61Å; H265-F267 AromaticContact CG-CZ 3.98Å; H265-F267 PolarHBondContact O-N 3.5Å; F267-L293 HydrophobicContact CB-CB 4.07Å; F267-L293 HydrophobicContact CB-CD1 4.19Å; F267-L293 HydrophobicContact CB-CD2 4.37Å; F267-L293 HydrophobicContact CB-CG 4.45Å; F267-L293 HydrophobicContact CD1-CB 3.83Å; F267-L293 HydrophobicContact CG-CB 4.17Å; F267-C295 HydrophobicContact CD1-CB 4.23Å; F267-C295 HydrophobicContact CE1-CB 4.03Å; F267-F300 HydrophobicContact CE1-CD1 4.06Å; F267-F300 AromaticContact CZ-CD1 3.96Å; F267-F300 HydrophobicContact CZ-CD1 3.96Å; F267-A307 HydrophobicContact CD2-CB 3.78Å; F267-A307 HydrophobicContact CE2-CB 4.04Å; F267-A307 HydrophobicContact CG-CB 4.32Å; F267-V310 HydrophobicContact CE2-CB 4.11Å; F267-V310 HydrophobicContact CE2-CG1 4.45Å; F267-V310 HydrophobicContact CE2-CG2 4.13Å; F267-V310 HydrophobicContact CZ-CB 4.1Å; F267-V310 HydrophobicContact CZ-CG1 4.1Å; F267-V310 HydrophobicContact CZ-CG2 3.88Å
268	L	85.3	Confident	69.9	Low	98 Å²	98	89 Å²	89	51%	0.513	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.8	173.2	-62	177.7	0	0	0	110.7	T266 H270 L293 Q294 K296	T266-L268 PolarHBondContact O-N 2.89Å; L268-H270 PolarHBondContact O-N 2.66Å; L268-L293 CarbonylContact O-C 3.58Å; L268-L293 VanDerWaalsContact O-CA 3.25Å; L268-L293 WeakPolarHBondContact O-CA 3.5Å; L268-Q294 PolarHBondContact N-O 3.43Å; L268-Q294 PolarHBondContact O-N 3.3Å; L268-K296 HydrophobicContact CD1-CB 3.95Å; L268-K296 HydrophobicContact CD1-CD 4.43Å; L268-K296 HydrophobicContact CD1-CG 4.15Å; L268-K296 HydrophobicContact CG-CB 4.42Å
269	I	86.6	Confident	72.4	Confident	101 Å²	101	85 Å²	85	52%	0.518	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	121.7	176	-61.4	175.2	0	0	0	109.3	R290 L293	I269-R290 HydrophobicContact CG2-CB 3.59Å; I269-R290 HydrophobicContact CG2-CG 3.72Å; I269-L293 HydrophobicContact CB-CD2 4.39Å; I269-L293 HydrophobicContact CG1-CD2 3.67Å
270	H	74.7	Confident	74.7	Confident	65 Å²	65	84 Å²	84	30%	0.301	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.7	-171.7	-167.4	89.5	0	0	0	111.5	L268 Y272 R290 Q291 G292 Q294	L268-H270 PolarHBondContact O-N 2.66Å; H270-Y272 HydrophobicContact CB-CE2 3.96Å; H270-Y272 AromaticContact CD2-CD1 3.69Å; H270-Y272 AromaticContact CD2-CE1 3.52Å; H270-Y272 AromaticContact CD2-CE2 3.85Å; H270-Y272 AromaticContact CD2-CG 3.93Å; H270-Y272 AromaticContact CD2-CZ 3.63Å; H270-R290 CarbonylContact O-C 3.5Å; H270-R290 WeakPolarHBondContact O-CA 3.38Å; H270-Q291 PolarHBondContact O-N 3.14Å; H270-G292 PolarHBondContact N-O 3.12Å; H270-G292 VanDerWaalsContact N-O 3.12Å; H270-Q294 HydrophobicContact CB-CB 3.64Å; H270-Q294 PolarHBondContact CE1-OE1 2.97Å; H270-Q294 VanDerWaalsContact CE1-OE1 3.27Å; H270-Q294 PolarHBondContact ND1-OE1 2.81Å
271	S	78.1	Confident	76.6	Confident	52 Å²	52	79.2 Å²	79.2	36%	0.364	42%	0.424	S	S	.	.			trans	-102.4	115.5	173.9	-67.7	0	0	0	0	109.1	R290	S271-R290 PolarHBondContact OG-N 2.84Å
272	Y	71.6	Confident	78.4	Confident	20 Å²	20	80.5 Å²	80.5	8%	0.078	42%	0.42	C	S	.	.			trans	-88.8	126.8	-174	-66.5	-87.3	0	0	0	111.2	H270 R274 T276 L285 Q291 L293 Q294 N301	H270-Y272 HydrophobicContact CB-CE2 3.96Å; H270-Y272 AromaticContact CD2-CD1 3.69Å; H270-Y272 AromaticContact CD2-CE1 3.52Å; H270-Y272 AromaticContact CD2-CE2 3.85Å; H270-Y272 AromaticContact CD2-CG 3.93Å; H270-Y272 AromaticContact CD2-CZ 3.63Å; Y272-R274 VanDerWaalsContact C-N 3.33Å; Y272-T276 HydrophobicContact CD1-CG2 3.61Å; Y272-T276 WeakPolarHBondContact CD1-OG1 3.28Å; Y272-T276 HydrophobicContact CE1-CG2 3.77Å; Y272-T276 HydrophobicContact CG-CG2 4.31Å; Y272-L285 HydrophobicContact CD1-CD1 4.41Å; Y272-L285 HydrophobicContact CD2-CD1 3.68Å; Y272-L285 HydrophobicContact CE1-CD1 4.14Å; Y272-L285 HydrophobicContact CE2-CD1 3.35Å; Y272-L285 HydrophobicContact CG-CD1 4.2Å; Y272-Q291 HydrophobicContact CD2-CB 4.27Å; Y272-Q291 PolarHBondContact O-NE2 3.01Å; Y272-L293 PolarHBondContact OH-O 3.38Å; Y272-Q294 PolarHBondContact OH-N 2.88Å; Y272-N301 HydrophobicContact CE1-CB 4.07Å; Y272-N301 WeakPolarHBondContact CE1-OD1 3.47Å; Y272-N301 WeakPolarHBondContact OH-CB 3.32Å; Y272-N301 PolarHBondContact OH-OD1 3.46Å
273	T	51.4	Low	79.9	Confident	138 Å²	138	79.3 Å²	79.3	85%	0.847	41%	0.414	S	S	*	.	S	Bend	trans	-85.9	-2.4	-179	53.3	0	0	0	0	113.9
274	R	70.2	Confident	80.8	Confident	187 Å²	187	79.5 Å²	79.5	71%	0.706	41%	0.413	S	S	*	.	S	Bend	trans	-138.7	155.3	173.9	-68.9	-175.8	175.2	179.8	-2.3	109.8	Y272 T276	Y272-R274 VanDerWaalsContact C-N 3.33Å; R274-T276 PolarHBondContact O-N 3.09Å; R274-T276 PolarHBondContact O-OG1 3Å
275	P	75.6	Confident	81.1	Confident	122 Å²	122	76.4 Å²	76.4	79%	0.792	39%	0.392	S	S	*	.			trans	-55.7	97.1	174.4	-25.7	35.7	0	0	0	111.9	L284	P275-L284 HydrophobicContact CB-CD1 3.89Å
276	T	80	Confident	80.2	Confident	33 Å²	33	83.8 Å²	83.8	20%	0.202	42%	0.424	C	S	.	.			trans	-105.4	136.2	-171.2	-58.9	0	0	0	0	110.3	Y272 R274 L284 L285 N301	Y272-T276 HydrophobicContact CD1-CG2 3.61Å; Y272-T276 WeakPolarHBondContact CD1-OG1 3.28Å; Y272-T276 HydrophobicContact CE1-CG2 3.77Å; Y272-T276 HydrophobicContact CG-CG2 4.31Å; R274-T276 PolarHBondContact O-N 3.09Å; R274-T276 PolarHBondContact O-OG1 3Å; T276-L284 WeakPolarHBondContact O-CD1 3.28Å; T276-L285 HydrophobicContact CG2-CD1 3.96Å; T276-L285 VanDerWaalsContact O-CB 3.31Å; T276-L285 WeakPolarHBondContact O-CB 3.47Å; T276-L285 VanDerWaalsContact O-CG 3.28Å; T276-L285 WeakPolarHBondContact O-CG 3.34Å; T276-L285 PolarHBondContact O-N 2.89Å; T276-N301 HydrophobicContact CG2-CB 4.25Å
277	V	86.4	Confident	78.6	Confident	71 Å²	71	83 Å²	83	43%	0.43	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-93.3	144.9	176.9	-67.1	0	0	0	0	111.9	Q279 L284	V277-Q279 PolarHBondContact O-N 2.81Å; V277-L284 HydrophobicContact CG1-CD1 4.34Å
278	C	89.8	Confident	76.6	Confident	0 Å²	0	88 Å²	88	0%	0	46%	0.458	C	S	.	.			trans	-64.7	112.6	168.5	174.1	0	0	0	0	109.2	H280 C281 K282 K283 L285 N301 C302 H303	C278-H280 PolarHBondContact O-N 2.81Å; C278-H280 VanDerWaalsContact O-N 3.15Å; C278-C281 PolarHBondContact SG-N 2.75Å; C278-C281 VanDerWaalsContact SG-N 3.43Å; C278-C281 VanDerWaalsContact SG-SG 3.63Å; C278-K282 WeakPolarHBondContact O-CA 3.29Å; C278-K282 PolarHBondContact O-N 3.43Å; C278-K283 WeakPolarHBondContact CB-O 3.4Å; C278-K283 PolarHBondContact N-O 2.92Å; C278-L285 HydrophobicContact CB-CD2 3.81Å; C278-N301 CarbonylContact C-O 3.58Å; C278-C302 VanDerWaalsContact SG-CA 3.56Å; C278-H303 VanDerWaalsContact CB-CE1 3.49Å; C278-H303 WeakPolarHBondContact CB-CE1 3.36Å; C278-H303 VanDerWaalsContact CB-ND1 3.35Å; C278-H303 WeakPolarHBondContact CB-ND1 3.19Å; C278-H303 PolarHBondContact SG-N 2.81Å; C278-H303 VanDerWaalsContact SG-N 3.4Å
279	Q	89.6	Confident	75.1	Confident	79 Å²	79	89.9 Å²	89.9	37%	0.369	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.7	-176.5	-72.7	173.3	-52.8	0	0	113.3	V277 K282 F300 N301	V277-Q279 PolarHBondContact O-N 2.81Å; Q279-K282 WeakPolarHBondContact O-CE 3.02Å; Q279-K282 PolarHBondContact O-NZ 2.98Å; Q279-F300 HydrophobicContact CB-CD2 4.36Å; Q279-F300 HydrophobicContact CB-CE1 4.1Å; Q279-F300 HydrophobicContact CB-CE2 3.82Å; Q279-F300 HydrophobicContact CB-CZ 3.67Å; Q279-F300 VanDerWaalsContact OE1-CA 3.28Å; Q279-N301 PolarHBondContact N-O 2.95Å
280	H	87.9	Confident	74.6	Confident	70 Å²	70	93 Å²	93	32%	0.324	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-70.8	169.9	176.2	80.7	0	0	0	111.9	C278 K282 K309 V310	C278-H280 PolarHBondContact O-N 2.81Å; C278-H280 VanDerWaalsContact O-N 3.15Å; H280-K282 PolarHBondContact O-N 2.71Å; H280-K309 PolarHBondContact CE1-O 3.35Å; H280-K309 PolarHBondContact ND1-O 3.3Å; H280-K309 WeakPolarHBondContact NE2-CB 3.41Å; H280-V310 HydrophobicContact CB-CG2 4.21Å
281	C	84	Confident	75	Confident	45 Å²	45	91.1 Å²	91.1	30%	0.304	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.3	-172.6	82.1	0	0	0	0	115.3	C278 K283 H303	C278-C281 PolarHBondContact SG-N 2.75Å; C278-C281 VanDerWaalsContact SG-N 3.43Å; C278-C281 VanDerWaalsContact SG-SG 3.63Å; C281-K283 PolarHBondContact O-N 3.26Å; C281-H303 PolarHBondContact SG-ND1 2.76Å; C281-H303 VanDerWaalsContact SG-ND1 3.39Å
282	K	87.6	Confident	75.4	Confident	153 Å²	153	88.6 Å²	88.6	67%	0.665	44%	0.441	S	S	*	.			trans	55.9	0.4	179.8	-48.3	-55	-174.8	-173.2	0	117.6	C278 Q279 H280	C278-K282 WeakPolarHBondContact O-CA 3.29Å; C278-K282 PolarHBondContact O-N 3.43Å; Q279-K282 WeakPolarHBondContact O-CE 3.02Å; Q279-K282 PolarHBondContact O-NZ 2.98Å; H280-K282 PolarHBondContact O-N 2.71Å
283	K	79.6	Confident	76.4	Confident	149 Å²	149	88.6 Å²	88.6	65%	0.648	44%	0.442	S	S	*	.			trans	-87	149.7	178.4	-65.6	178.5	-177.3	-175.6	0	111.8	C278 C281 H303	C278-K283 WeakPolarHBondContact CB-O 3.4Å; C278-K283 PolarHBondContact N-O 2.92Å; C281-K283 PolarHBondContact O-N 3.26Å; K283-H303 PolarHBondContact O-CE1 2.89Å; K283-H303 VanDerWaalsContact O-CE1 3.28Å
284	L	83.5	Confident	78.3	Confident	76 Å²	76	83.7 Å²	83.7	40%	0.398	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-59.3	139.9	-177.7	-168.7	73.9	0	0	0	113.1	P275 T276 V277 K286 H303	P275-L284 HydrophobicContact CB-CD1 3.89Å; T276-L284 WeakPolarHBondContact O-CD1 3.28Å; V277-L284 HydrophobicContact CG1-CD1 4.34Å; L284-K286 PolarHBondContact O-N 2.94Å; L284-H303 PolarHBondContact O-NE2 2.95Å
285	L	81.6	Confident	79.3	Confident	9 Å²	9	74.8 Å²	74.8	5%	0.047	38%	0.376	C	S	.	.			trans	-76.8	98.6	168.7	-56.2	179.6	0	0	0	108.6	Y272 T276 C278 Q291 H303	Y272-L285 HydrophobicContact CD1-CD1 4.41Å; Y272-L285 HydrophobicContact CD2-CD1 3.68Å; Y272-L285 HydrophobicContact CE1-CD1 4.14Å; Y272-L285 HydrophobicContact CE2-CD1 3.35Å; Y272-L285 HydrophobicContact CG-CD1 4.2Å; T276-L285 HydrophobicContact CG2-CD1 3.96Å; T276-L285 VanDerWaalsContact O-CB 3.31Å; T276-L285 WeakPolarHBondContact O-CB 3.47Å; T276-L285 VanDerWaalsContact O-CG 3.28Å; T276-L285 WeakPolarHBondContact O-CG 3.34Å; T276-L285 PolarHBondContact O-N 2.89Å; C278-L285 HydrophobicContact CB-CD2 3.81Å; L285-Q291 HydrophobicContact CB-CB 3.8Å; L285-H303 HydrophobicContact CD2-CB 4.37Å; L285-H303 VanDerWaalsContact CD2-CD2 3.4Å; L285-H303 WeakPolarHBondContact CD2-CD2 3.41Å
286	K	63.5	Low	79.7	Confident	177 Å²	177	75 Å²	75	77%	0.77	36%	0.364	S	S	*	.			trans	-83.1	143	-175.4	-65.5	-168.2	175	-167.5	0	112.4	L284	L284-K286 PolarHBondContact O-N 2.94Å
287	G	53.5	Low	79.8	Confident	52 Å²	52	75.5 Å²	75.5	54%	0.536	37%	0.366	S	S	.	.	S	Bend	trans	128.1	166.6	175.8	0	0	0	0	0	112.8	Q291	G287-Q291 VanDerWaalsContact C-CG 3.49Å; G287-Q291 WeakPolarHBondContact O-CG 3.3Å; G287-Q291 PolarHBondContact O-NE2 3.45Å
288	L	49.2	Very low	79.5	Confident	152 Å²	152	74 Å²	74	80%	0.796	36%	0.358	S	S	*	.	S	Bend	trans	-85	-31.9	175.9	-64.9	174.7	0	0	0	112.7	Q291	L288-Q291 VanDerWaalsContact C-NE2 3.33Å; L288-Q291 PolarHBondContact O-NE2 2.87Å; L288-Q291 VanDerWaalsContact O-NE2 3.11Å
289	F	53.7	Low	79.5	Confident	137 Å²	137	78 Å²	78	60%	0.601	38%	0.375	S	S	*	.	S	Bend	trans	-139	157	179.2	-58	-75.5	0	0	0	111.2	W152 Q291	W152-F289 HydrophobicContact CH2-CE1 4.36Å; F289-Q291 PolarHBondContact O-N 3.25Å; F289-Q291 VanDerWaalsContact O-N 3.09Å
290	R	75.6	Confident	79.4	Confident	167 Å²	167	76.6 Å²	76.6	63%	0.63	37%	0.368	S	S	*	.			trans	51	35	173.1	-61.9	-177	171.7	176.1	-0.7	113.7	I269 H270 S271 G292 K304	I269-R290 HydrophobicContact CG2-CB 3.59Å; I269-R290 HydrophobicContact CG2-CG 3.72Å; H270-R290 CarbonylContact O-C 3.5Å; H270-R290 WeakPolarHBondContact O-CA 3.38Å; S271-R290 PolarHBondContact OG-N 2.84Å; R290-G292 PolarHBondContact O-N 2.9Å; R290-K304 VanDerWaalsContact O-CE 3.26Å; R290-K304 WeakPolarHBondContact O-CE 3.26Å; R290-K304 PolarHBondContact O-NZ 3.04Å
291	Q	82.6	Confident	79.6	Confident	24 Å²	24	74.3 Å²	74.3	11%	0.112	36%	0.358	C	S	.	.			trans	-66.8	-21	-169.1	-54.8	91.5	-27.3	0	0	113.8	H270 Y272 L285 G287 L288 F289	H270-Q291 PolarHBondContact O-N 3.14Å; Y272-Q291 HydrophobicContact CD2-CB 4.27Å; Y272-Q291 PolarHBondContact O-NE2 3.01Å; L285-Q291 HydrophobicContact CB-CB 3.8Å; G287-Q291 VanDerWaalsContact C-CG 3.49Å; G287-Q291 WeakPolarHBondContact O-CG 3.3Å; G287-Q291 PolarHBondContact O-NE2 3.45Å; L288-Q291 VanDerWaalsContact C-NE2 3.33Å; L288-Q291 PolarHBondContact O-NE2 2.87Å; L288-Q291 VanDerWaalsContact O-NE2 3.11Å; F289-Q291 PolarHBondContact O-N 3.25Å; F289-Q291 VanDerWaalsContact O-N 3.09Å
292	G	86.6	Confident	80	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	-161.1	-177.1	0	0	0	0	0	113.4	H270 R290 C302	H270-G292 PolarHBondContact N-O 3.12Å; H270-G292 VanDerWaalsContact N-O 3.12Å; R290-G292 PolarHBondContact O-N 2.9Å; G292-C302 CarbonylContact C-O 3.22Å; G292-C302 VanDerWaalsContact CA-O 3.28Å; G292-C302 WeakPolarHBondContact CA-O 3.48Å
293	L	91.6	Very high	80.2	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.5	177	-68.6	169	0	0	0	109	F267 L268 I269 Y272 N301 C302 K304 A307	F267-L293 HydrophobicContact CB-CB 4.07Å; F267-L293 HydrophobicContact CB-CD1 4.19Å; F267-L293 HydrophobicContact CB-CD2 4.37Å; F267-L293 HydrophobicContact CB-CG 4.45Å; F267-L293 HydrophobicContact CD1-CB 3.83Å; F267-L293 HydrophobicContact CG-CB 4.17Å; L268-L293 CarbonylContact O-C 3.58Å; L268-L293 VanDerWaalsContact O-CA 3.25Å; L268-L293 WeakPolarHBondContact O-CA 3.5Å; I269-L293 HydrophobicContact CB-CD2 4.39Å; I269-L293 HydrophobicContact CG1-CD2 3.67Å; Y272-L293 PolarHBondContact OH-O 3.38Å; L293-N301 WeakPolarHBondContact O-CA 3.22Å; L293-C302 PolarHBondContact N-O 2.78Å; L293-C302 PolarHBondContact O-N 3.07Å; L293-K304 HydrophobicContact CD1-CB 4.45Å; L293-K304 HydrophobicContact CD1-CG 4.31Å; L293-K304 HydrophobicContact CD2-CG 4.49Å; L293-K304 HydrophobicContact CG-CG 4.01Å; L293-A307 HydrophobicContact CD1-CB 3.53Å
294	Q	93.3	Very high	80.7	Confident	35 Å²	35	63.8 Å²	63.8	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.7	170.8	-177	165.3	93.1	0	0	109.3	L268 H270 Y272 K296 K299 F300 N301	L268-Q294 PolarHBondContact N-O 3.43Å; L268-Q294 PolarHBondContact O-N 3.3Å; H270-Q294 HydrophobicContact CB-CB 3.64Å; H270-Q294 PolarHBondContact CE1-OE1 2.97Å; H270-Q294 VanDerWaalsContact CE1-OE1 3.27Å; H270-Q294 PolarHBondContact ND1-OE1 2.81Å; Y272-Q294 PolarHBondContact OH-N 2.88Å; Q294-K296 PolarHBondContact O-N 2.91Å; Q294-K299 HydrophobicContact CG-CB 4.45Å; Q294-K299 HydrophobicContact CG-CD 4.38Å; Q294-F300 CarbonylContact C-O 3.58Å; Q294-F300 WeakPolarHBondContact CA-O 3.46Å; Q294-N301 WeakPolarHBondContact CG-OD1 3.36Å; Q294-N301 PolarHBondContact NE2-OD1 2.88Å
295	C	89.8	Confident	80.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.2	167.9	-177	0	0	0	0	108.7	H265 T266 F267 D297 K299 F300 C314	H265-C295 HydrophobicContact CB-CB 4.12Å; H265-C295 PolarHBondContact ND1-SG 3.21Å; T266-C295 WeakPolarHBondContact O-CA 3.26Å; F267-C295 HydrophobicContact CD1-CB 4.23Å; F267-C295 HydrophobicContact CE1-CB 4.03Å; C295-D297 PolarHBondContact O-N 3.19Å; C295-K299 WeakPolarHBondContact O-CA 3.44Å; C295-K299 PolarHBondContact O-N 2.7Å; C295-F300 HydrophobicContact CB-CB 4.02Å; C295-F300 PolarHBondContact N-O 3.08Å; C295-C314 VanDerWaalsContact SG-SG 3.66Å
296	K	85	Confident	81.2	Confident	126 Å²	126	69.5 Å²	69.5	55%	0.548	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-43.6	177.2	-175.9	-167.5	172.2	-158.2	0	111.5	T266 L268 Q294 K299	T266-K296 HydrophobicContact CG2-CB 4.48Å; T266-K296 PolarHBondContact O-N 3.33Å; L268-K296 HydrophobicContact CD1-CB 3.95Å; L268-K296 HydrophobicContact CD1-CD 4.43Å; L268-K296 HydrophobicContact CD1-CG 4.15Å; L268-K296 HydrophobicContact CG-CB 4.42Å; Q294-K296 PolarHBondContact O-N 2.91Å; K296-K299 PolarHBondContact O-NZ 2.69Å
297	D	81.4	Confident	82.3	Confident	44 Å²	44	62 Å²	62	24%	0.235	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.6	-160.3	-34.3	-62.7	0	0	0	113.8	T266 C295 G316 E317	T266-D297 WeakPolarHBondContact CB-OD2 3.5Å; T266-D297 PolarHBondContact OG1-OD2 3.37Å; C295-D297 PolarHBondContact O-N 3.19Å; D297-G316 CarbonylContact O-C 3.54Å; D297-G316 VanDerWaalsContact O-CA 3.26Å; D297-G316 WeakPolarHBondContact O-CA 3.46Å; D297-E317 PolarHBondContact O-N 2.95Å
298	C	81.3	Confident	83.6	Confident	40 Å²	40	67.8 Å²	67.8	27%	0.27	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	9.9	178.3	70.5	0	0	0	0	113.9	H265 F300 C314	H265-C298 PolarHBondContact CE1-SG 2.86Å; H265-C298 PolarHBondContact ND1-SG 3.39Å; C298-F300 PolarHBondContact O-N 3.48Å; C298-C314 PolarHBondContact SG-SG 3.14Å
299	K	87.9	Confident	85.3	Confident	82 Å²	82	67.7 Å²	67.7	36%	0.357	31%	0.307	S	S	.	.			trans	57.6	16.4	176.7	-48	-58.1	-173.7	-76.5	0	115.8	Q294 C295 K296 N301 E317	Q294-K299 HydrophobicContact CG-CB 4.45Å; Q294-K299 HydrophobicContact CG-CD 4.38Å; C295-K299 WeakPolarHBondContact O-CA 3.44Å; C295-K299 PolarHBondContact O-N 2.7Å; K296-K299 PolarHBondContact O-NZ 2.69Å; K299-N301 PolarHBondContact O-ND2 3.33Å; K299-N301 PolarHBondContact O-OD1 2.98Å; K299-E317 WeakPolarHBondContact CE-OE1 3.38Å; K299-E317 VanDerWaalsContact NZ-CD 3.29Å; K299-E317 IonicContact NZ-OE1 3.37Å; K299-E317 PolarHBondContact NZ-OE1 3.45Å; K299-E317 IonicContact NZ-OE2 3.08Å; K299-E317 PolarHBondContact NZ-OE2 2.96Å
300	F	88.9	Confident	86.8	Confident	50 Å²	50	61.7 Å²	61.7	22%	0.219	28%	0.281	C	S	.	.			trans	-61.7	132.2	175	-170.7	-82.2	0	0	0	111.7	F267 Q279 Q294 C295 C298 C302 V310	F267-F300 HydrophobicContact CE1-CD1 4.06Å; F267-F300 AromaticContact CZ-CD1 3.96Å; F267-F300 HydrophobicContact CZ-CD1 3.96Å; Q279-F300 HydrophobicContact CB-CD2 4.36Å; Q279-F300 HydrophobicContact CB-CE1 4.1Å; Q279-F300 HydrophobicContact CB-CE2 3.82Å; Q279-F300 HydrophobicContact CB-CZ 3.67Å; Q279-F300 VanDerWaalsContact OE1-CA 3.28Å; Q294-F300 CarbonylContact C-O 3.58Å; Q294-F300 WeakPolarHBondContact CA-O 3.46Å; C295-F300 HydrophobicContact CB-CB 4.02Å; C295-F300 PolarHBondContact N-O 3.08Å; C298-F300 PolarHBondContact O-N 3.48Å; F300-C302 HydrophobicContact CE1-CB 4.32Å; F300-V310 HydrophobicContact CD1-CG1 4.1Å; F300-V310 HydrophobicContact CE1-CB 4.41Å; F300-V310 HydrophobicContact CE1-CG1 3.61Å; F300-V310 HydrophobicContact CE1-CG2 3.79Å; F300-V310 HydrophobicContact CZ-CG1 3.93Å
301	N	91.3	Very high	87	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.3	-168	-61.2	-55	0	0	0	112.1	Y272 T276 C278 Q279 L293 Q294 K299	Y272-N301 HydrophobicContact CE1-CB 4.07Å; Y272-N301 WeakPolarHBondContact CE1-OD1 3.47Å; Y272-N301 WeakPolarHBondContact OH-CB 3.32Å; Y272-N301 PolarHBondContact OH-OD1 3.46Å; T276-N301 HydrophobicContact CG2-CB 4.25Å; C278-N301 CarbonylContact C-O 3.58Å; Q279-N301 PolarHBondContact N-O 2.95Å; L293-N301 WeakPolarHBondContact O-CA 3.22Å; Q294-N301 WeakPolarHBondContact CG-OD1 3.36Å; Q294-N301 PolarHBondContact NE2-OD1 2.88Å; K299-N301 PolarHBondContact O-ND2 3.33Å; K299-N301 PolarHBondContact O-OD1 2.98Å
302	C	93.1	Very high	86.7	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	165	178.5	71.6	0	0	0	0	114	C278 G292 L293 F300 C306 V310	C278-C302 VanDerWaalsContact SG-CA 3.56Å; G292-C302 CarbonylContact C-O 3.22Å; G292-C302 VanDerWaalsContact CA-O 3.28Å; G292-C302 WeakPolarHBondContact CA-O 3.48Å; L293-C302 PolarHBondContact N-O 2.78Å; L293-C302 PolarHBondContact O-N 3.07Å; F300-C302 HydrophobicContact CE1-CB 4.32Å; C302-C306 HydrophobicContact CB-CB 4.18Å; C302-V310 HydrophobicContact CB-CG2 4.21Å
303	H	92.3	Very high	86.5	Confident	19 Å²	19	65.5 Å²	65.5	9%	0.088	32%	0.319	C	S	.	.			trans	-68.7	153.6	167.3	-62.2	107.3	0	0	0	110.3	C278 C281 K283 L284 L285 R305 C306 A307	C278-H303 VanDerWaalsContact CB-CE1 3.49Å; C278-H303 WeakPolarHBondContact CB-CE1 3.36Å; C278-H303 VanDerWaalsContact CB-ND1 3.35Å; C278-H303 WeakPolarHBondContact CB-ND1 3.19Å; C278-H303 PolarHBondContact SG-N 2.81Å; C278-H303 VanDerWaalsContact SG-N 3.4Å; C281-H303 PolarHBondContact SG-ND1 2.76Å; C281-H303 VanDerWaalsContact SG-ND1 3.39Å; K283-H303 PolarHBondContact O-CE1 2.89Å; K283-H303 VanDerWaalsContact O-CE1 3.28Å; L284-H303 PolarHBondContact O-NE2 2.95Å; L285-H303 HydrophobicContact CD2-CB 4.37Å; L285-H303 VanDerWaalsContact CD2-CD2 3.4Å; L285-H303 WeakPolarHBondContact CD2-CD2 3.41Å; H303-R305 VanDerWaalsContact C-N 3.26Å; H303-R305 HydrophobicContact CB-CG 3.92Å; H303-R305 PolarHBondContact O-N 3.28Å; H303-C306 HydrophobicContact CB-CB 4.18Å; H303-C306 WeakPolarHBondContact O-CA 3.31Å; H303-C306 WeakPolarHBondContact O-CB 3.45Å; H303-C306 PolarHBondContact O-N 3.24Å; H303-A307 PolarHBondContact O-N 2.9Å
304	K	89.2	Confident	85.9	Confident	107 Å²	107	65.2 Å²	65.2	47%	0.465	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-49.7	-44.5	171.8	-67.1	167.7	-175.9	163.2	0	112.8	R290 L293 C306	R290-K304 VanDerWaalsContact O-CE 3.26Å; R290-K304 WeakPolarHBondContact O-CE 3.26Å; R290-K304 PolarHBondContact O-NZ 3.04Å; L293-K304 HydrophobicContact CD1-CB 4.45Å; L293-K304 HydrophobicContact CD1-CG 4.31Å; L293-K304 HydrophobicContact CD2-CG 4.49Å; L293-K304 HydrophobicContact CG-CG 4.01Å; K304-C306 VanDerWaalsContact C-N 3.25Å; K304-C306 PolarHBondContact O-N 2.89Å
305	R	87.8	Confident	84.8	Confident	195 Å²	195	70.5 Å²	70.5	74%	0.736	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-70.6	-7.7	174.9	66	175.3	172.7	-166.7	-6.2	116	H303	H303-R305 VanDerWaalsContact C-N 3.26Å; H303-R305 HydrophobicContact CB-CG 3.92Å; H303-R305 PolarHBondContact O-N 3.28Å
306	C	87.3	Confident	83.5	Confident	10 Å²	10	72.1 Å²	72.1	7%	0.068	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-105.2	-18.6	-177.6	-69.3	0	0	0	0	113.3	C302 H303 K304 L308 K309 V310	C302-C306 HydrophobicContact CB-CB 4.18Å; H303-C306 HydrophobicContact CB-CB 4.18Å; H303-C306 WeakPolarHBondContact O-CA 3.31Å; H303-C306 WeakPolarHBondContact O-CB 3.45Å; H303-C306 PolarHBondContact O-N 3.24Å; K304-C306 VanDerWaalsContact C-N 3.25Å; K304-C306 PolarHBondContact O-N 2.89Å; C306-L308 VanDerWaalsContact C-N 3.31Å; C306-L308 PolarHBondContact O-N 2.8Å; C306-K309 CarbonylContact O-C 3.52Å; C306-K309 WeakPolarHBondContact O-CA 3.34Å; C306-K309 PolarHBondContact O-N 2.74Å; C306-V310 PolarHBondContact O-N 3.17Å
307	A	87.8	Confident	81.8	Confident	20 Å²	20	72.7 Å²	72.7	17%	0.165	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-55.6	-42.7	-178	0	0	0	0	0	113.1	F267 L293 H303 K309 V310	F267-A307 HydrophobicContact CD2-CB 3.78Å; F267-A307 HydrophobicContact CE2-CB 4.04Å; F267-A307 HydrophobicContact CG-CB 4.32Å; L293-A307 HydrophobicContact CD1-CB 3.53Å; H303-A307 PolarHBondContact O-N 2.9Å; A307-K309 PolarHBondContact O-N 3.43Å; A307-V310 PolarHBondContact O-N 3.11Å; A307-V310 VanDerWaalsContact O-N 3.08Å
308	L	80.2	Confident	79.9	Confident	173 Å²	173	76.8 Å²	76.8	91%	0.906	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-64.6	-4	175.6	-60.3	176.8	0	0	0	114.5	C306	C306-L308 VanDerWaalsContact C-N 3.31Å; C306-L308 PolarHBondContact O-N 2.8Å
309	K	85.2	Confident	77.6	Confident	149 Å²	149	80.2 Å²	80.2	65%	0.648	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-118.9	2.8	177.5	-55.8	-167.6	178.8	-165	0	112.9	H280 C306 A307	H280-K309 PolarHBondContact CE1-O 3.35Å; H280-K309 PolarHBondContact ND1-O 3.3Å; H280-K309 WeakPolarHBondContact NE2-CB 3.41Å; C306-K309 CarbonylContact O-C 3.52Å; C306-K309 WeakPolarHBondContact O-CA 3.34Å; C306-K309 PolarHBondContact O-N 2.74Å; A307-K309 PolarHBondContact O-N 3.43Å
310	V	84.4	Confident	74.8	Confident	12 Å²	12	87.1 Å²	87.1	7%	0.073	44%	0.443	C	S	.	.	S	Bend	trans	-80	132.1	172.9	-175	0	0	0	0	108.7	F267 H280 F300 C302 C306 A307	F267-V310 HydrophobicContact CE2-CB 4.11Å; F267-V310 HydrophobicContact CE2-CG1 4.45Å; F267-V310 HydrophobicContact CE2-CG2 4.13Å; F267-V310 HydrophobicContact CZ-CB 4.1Å; F267-V310 HydrophobicContact CZ-CG1 4.1Å; F267-V310 HydrophobicContact CZ-CG2 3.88Å; H280-V310 HydrophobicContact CB-CG2 4.21Å; F300-V310 HydrophobicContact CD1-CG1 4.1Å; F300-V310 HydrophobicContact CE1-CB 4.41Å; F300-V310 HydrophobicContact CE1-CG1 3.61Å; F300-V310 HydrophobicContact CE1-CG2 3.79Å; F300-V310 HydrophobicContact CZ-CG1 3.93Å; C302-V310 HydrophobicContact CB-CG2 4.21Å; C306-V310 PolarHBondContact O-N 3.17Å; A307-V310 PolarHBondContact O-N 3.11Å; A307-V310 VanDerWaalsContact O-N 3.08Å
311	P	79.6	Confident	71.8	Confident	80 Å²	80	92.3 Å²	92.3	52%	0.519	47%	0.473	S	S	.	.			trans	-60.1	147.2	174.8	-23.4	34.5	0	0	0	112.6	H265 N313	H265-P311 PolarHBondContact CD2-O 2.81Å; H265-P311 VanDerWaalsContact CD2-O 3.23Å; H265-P311 PolarHBondContact NE2-O 3.28Å; P311-N313 VanDerWaalsContact C-N 3.28Å; P311-N313 PolarHBondContact O-N 3.07Å; P311-N313 PolarHBondContact O-OD1 2.92Å
312	N	77.6	Confident	69	Low	95 Å²	95	99.5 Å²	99.5	51%	0.508	51%	0.506	S	S	.	.	S	Bend	trans	-83.2	70.2	177.1	-69.5	-30.3	0	0	0	111	K262 V263 P264	K262-N312 CarbonylContact C-O 3.52Å; K262-N312 VanDerWaalsContact C-O 3.24Å; K262-N312 WeakPolarHBondContact CA-O 3.39Å; K262-N312 VanDerWaalsContact CB-O 3.3Å; K262-N312 WeakPolarHBondContact CB-O 3.19Å; V263-N312 CarbonylContact O-C 3.53Å; P264-N312 WeakPolarHBondContact CA-OD1 3.31Å; P264-N312 HydrophobicContact CB-CB 4.26Å; P264-N312 WeakPolarHBondContact CB-OD1 3.16Å
313	N	81.8	Confident	65.9	Low	95 Å²	95	107 Å²	107	51%	0.508	55%	0.546	S	S	.	.			trans	-133.7	46.2	178.1	67.3	-27.9	0	0	0	112.5	V263 P311 L315	V263-N313 PolarHBondContact O-N 3.42Å; P311-N313 VanDerWaalsContact C-N 3.28Å; P311-N313 PolarHBondContact O-N 3.07Å; P311-N313 PolarHBondContact O-OD1 2.92Å; N313-L315 PolarHBondContact O-N 2.98Å
314	C	79.6	Confident	62.9	Low	15 Å²	15	113 Å²	113	10%	0.101	58%	0.578	C	S	.	*			trans	-62.9	123.1	175.7	-170	0	0	0	0	111	V263 C295 C298	V263-C314 HydrophobicContact CB-CB 4.47Å; V263-C314 HydrophobicContact CG1-CB 4.48Å; V263-C314 WeakPolarHBondContact O-CB 3.39Å; V263-C314 PolarHBondContact O-N 2.75Å; C295-C314 VanDerWaalsContact SG-SG 3.66Å; C298-C314 PolarHBondContact SG-SG 3.14Å
315	L	68.9	Low	59.9	Low	146 Å²	146	115.4 Å²	115.4	76%	0.764	60%	0.595	S	S	*	*			trans	-91.4	-8.9	-175.6	-61.6	178.6	0	0	0	114.6	N313	N313-L315 PolarHBondContact O-N 2.98Å
316	G	64	Low	56.9	Low	33 Å²	33	111.5 Å²	111.5	34%	0.34	60%	0.598	S	S	.	*			trans	71.1	-178.7	-174.2	0	0	0	0	0	114.6	D297	D297-G316 CarbonylContact O-C 3.54Å; D297-G316 VanDerWaalsContact O-CA 3.26Å; D297-G316 WeakPolarHBondContact O-CA 3.46Å
317	E	49.3	Very low	54.3	Low	139 Å²	139	117.3 Å²	117.3	65%	0.65	64%	0.635	S	S	*	*			trans	-91.3	107.2	172.5	-92.6	173.2	165.1	0	0	109.8	D297 K299	D297-E317 PolarHBondContact O-N 2.95Å; K299-E317 WeakPolarHBondContact CE-OE1 3.38Å; K299-E317 VanDerWaalsContact NZ-CD 3.29Å; K299-E317 IonicContact NZ-OE1 3.37Å; K299-E317 PolarHBondContact NZ-OE1 3.45Å; K299-E317 IonicContact NZ-OE2 3.08Å; K299-E317 PolarHBondContact NZ-OE2 2.96Å
318	V	40.1	Very low	51.3	Low	130 Å²	130	120.2 Å²	120.2	79%	0.788	67%	0.668	S	S	*	*			trans	-92.2	115.3	165.2	-179.2	0	0	0	0	107.7	R320	V318-R320 PolarHBondContact O-N 3.16Å
319	S	32.6	Very low	48.8	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	66%	0.662	S	S	*	*			trans	-59.5	123	178.3	-55.2	0	0	0	0	111.1	N321	S319-N321 PolarHBondContact O-N 2.86Å
320	R	29.4	Very low	46	Very low	226 Å²	226	117.7 Å²	117.7	85%	0.853	67%	0.67	S	S	*	*			trans	-81.2	108.6	165.4	-78.6	-176	169.3	-166.8	-5.4	109.2	V318	V318-R320 PolarHBondContact O-N 3.16Å
321	N	26.5	Very low	43.3	Very low	159 Å²	159	124.6 Å²	124.6	85%	0.85	71%	0.706	S	S	*	*			trans	-75.5	137.4	141.5	-73.7	1.5	0	0	0	106.9	S319	S319-N321 PolarHBondContact O-N 2.86Å
322	E	31.9	Very low	40.7	Very low	175 Å²	175	128.4 Å²	128.4	82%	0.818	72%	0.722	S	S	*	*			trans	-90.3	124.5	167.4	-67.3	-176.8	134.5	0	0	108.3
323	D	28.5	Very low	38.2	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	74%	0.737	S	S	*	*			trans	-159.8	159.6	149.1	-127.9	-34.5	0	0	0	111.2
324	L	28.6	Very low	35.4	Very low	145 Å²	145	130.7 Å²	130.7	76%	0.759	75%	0.753	S	S	*	*	S	Bend	trans	72	102.5	176.5	-55.7	-177.1	0	0	0	119.4
325	L	26.5	Very low	32.9	Very low	158 Å²	158	138.1 Å²	138.1	83%	0.827	79%	0.788	S	S	*	*			trans	79.1	96.6	136.2	-56	175.1	0	0	0	120.4
326	S	26	Very low	30.8	Very low	114 Å²	114	137 Å²	137	80%	0.797	79%	0.787	S	S	*	*			trans	-66.6	160.2	141.2	-52.1	0	0	0	0	110.9
327	P	32.2	Very low	28.9	Very low	131 Å²	131	143.4 Å²	143.4	85%	0.851	81%	0.808	S	S	*	*				-147.3	164	106.7	38.9	-25.3	0	0	0	115.6
328	G	24	Very low	27.8	Very low	82 Å²	82	139.8 Å²	139.8	85%	0.845	81%	0.808	S	S	*	*			trans	97.9	119.7	155.1	0	0	0	0	0	117.2
329	A	28	Very low	27.1	Very low	96 Å²	96	139.4 Å²	139.4	79%	0.793	81%	0.81	S	S	*	*			trans	-92.4	164.2	156.6	0	0	0	0	0	108.9
330	E	26.5	Very low	27	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	81%	0.81	S	S	*	*				179.5	171.3	83.6	-93	-168.8	175.1	0	0	113
331	L	27.1	Very low	27	Very low	158 Å²	158	136.8 Å²	136.8	83%	0.827	80%	0.803	S	S	*	*			trans	80.8	135.7	154.2	-76.1	157.2	0	0	0	121.9
332	D	25.4	Very low	27	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	80%	0.801	S	S	*	*			trans	-91.7	154.9	174.2	-57.4	-82	0	0	0	113.1
333	A	25.2	Very low	27.5	Very low	102 Å²	102	132.7 Å²	132.7	84%	0.843	79%	0.792	S	S	*	*			trans	-175.2	164.6	146.5	0	0	0	0	0	112.2
334	V	23.6	Very low	27.7	Very low	136 Å²	136	130.9 Å²	130.9	82%	0.824	79%	0.792	S	S	*	*			trans	-142.9	155.9	-178.3	-173.3	0	0	0	0	111.2
335	M	25.9	Very low	27.8	Very low	171 Å²	171	127.7 Å²	127.7	84%	0.842	79%	0.794	S	S	*	*			trans	94.8	141.3	175.9	-53	-174.4	-169.4	0	0	116.5
336	V	25	Very low	28	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	79%	0.787	S	S	*	*			cis	96.9	123.6	15	175	0	0	0	0	114
337	E	25.6	Very low	28.3	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	78%	0.783	S	S	*	*			cis	-168.8	177.5	-17.2	-128	173.9	105.9	0	0	112.4
338	G	26.3	Very low	28	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	79%	0.788	S	S	*	*			trans	106.2	161.2	172.3	0	0	0	0	0	116.3
339	C	24.7	Very low	28.2	Very low	122 Å²	122	134.9 Å²	134.9	82%	0.824	78%	0.781	S	S	*	*			cis	-162	156.6	-10.3	-90.1	0	0	0	0	111.6
340	L	29.4	Very low	28.1	Very low	147 Å²	147	136 Å²	136	77%	0.77	78%	0.783	S	S	*	*			trans	24.7	154.6	144.2	-52.3	-175	0	0	0	122.8
341	D	29.8	Very low	28.3	Very low	135 Å²	135	134.3 Å²	134.3	72%	0.722	78%	0.779	S	S	*	*			cis	-166.4	153.7	-2.6	-106.8	-21.5	0	0	0	114.1
342	D	27	Very low	28.6	Very low	150 Å²	150	133 Å²	133	80%	0.802	77%	0.772	S	S	*	*			trans	48.1	-178.9	153.2	-125.4	34.7	0	0	0	122.2
343	P	43.3	Very low	28.9	Very low	98 Å²	98	131.1 Å²	131.1	64%	0.636	76%	0.762	S	S	*	*			cis	-138.9	173.2	-3.2	44.1	-25.4	0	0	0	120.9
344	S	32.8	Very low	29.4	Very low	119 Å²	119	133 Å²	133	83%	0.832	76%	0.758	S	S	*	*			trans	73.4	141.8	157.1	72.6	0	0	0	0	120.2
345	G	30	Very low	30	Very low	77 Å²	77	134.2 Å²	134.2	79%	0.794	76%	0.756	S	S	*	*			cis	-154.1	-145.2	-1.8	0	0	0	0	0	109
346	D	29.9	Very low	30.3	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	75%	0.751	S	S	*	*			cis	-175.8	-179.8	-14	-147	-19.5	0	0	0	105.7
347	R	31.8	Very low	30.6	Very low	193 Å²	193	134.9 Å²	134.9	73%	0.728	75%	0.753	S	S	*	*			cis	-165.1	134.2	-0.5	-167.7	170.4	-71.7	176.1	1.6	112
348	R	27.8	Very low	30.8	Very low	250 Å²	250	130.3 Å²	130.3	94%	0.943	74%	0.744	S	S	*	*			trans	61	154.1	169	-75.6	177.6	167.2	-161.7	-4.9	118.5
349	G	26.6	Very low	30.9	Very low	68 Å²	68	134.8 Å²	134.8	70%	0.701	75%	0.752	S	S	*	*			cis	151.9	148.9	-8.2	0	0	0	0	0	114.3
350	S	27.2	Very low	31	Very low	119 Å²	119	135 Å²	135	83%	0.832	75%	0.75	S	S	*	*			trans	79.1	151	168.1	-65.2	0	0	0	0	120.7
351	L	30.7	Very low	31	Very low	137 Å²	137	133.4 Å²	133.4	72%	0.717	75%	0.751	S	S	*	*			cis	-174.2	145.5	-22.7	-107.8	-174.1	0	0	0	110.8
352	L	33.4	Very low	31	Very low	131 Å²	131	134.8 Å²	134.8	69%	0.686	76%	0.758	S	S	*	*			trans	60.3	154.3	154.4	-52.6	-177.9	0	0	0	119.9
353	D	31.7	Very low	30.9	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	75%	0.754	S	S	*	*			cis	-160.8	161.7	-14.9	-99.8	-13.4	0	0	0	111.7
354	D	34	Very low	30	Very low	142 Å²	142	130 Å²	130	76%	0.759	76%	0.762	S	S	*	*			trans	12.9	158.8	148.6	-60.5	-10.8	0	0	0	122.4
355	M	36.2	Very low	29.8	Very low	161 Å²	161	132 Å²	132	79%	0.793	76%	0.763	S	S	*	*			cis	-148.4	-163.4	20.5	-140.4	161.1	165.8	0	0	108.9
356	D	32.8	Very low	29.6	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	76%	0.76	S	S	*	*			cis	-160.2	-178.9	12	-149.7	-14.2	0	0	0	112.8
357	E	31.7	Very low	29.5	Very low	171 Å²	171	136.8 Å²	136.8	80%	0.799	77%	0.766	S	S	*	*			trans	-109.6	-169.3	-177.3	-84.4	-157.1	143.6	0	0	114.1
358	A	29.3	Very low	29.1	Very low	71 Å²	71	134.1 Å²	134.1	59%	0.587	77%	0.766	S	S	*	*			cis	-175.4	-169.3	-49.5	0	0	0	0	0	110.5
359	L	28.6	Very low	29	Very low	158 Å²	158	128.1 Å²	128.1	83%	0.827	76%	0.758	S	S	*	*			trans	73.7	159.8	165.1	-46.4	175.8	0	0	0	117.4
360	T	28	Very low	28.9	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	76%	0.763	S	S	*	*			cis	-142.9	142.3	11.4	45.7	0	0	0	0	115.2
361	S	29.1	Very low	28.9	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	76%	0.764	S	S	*	*			trans	44.9	126.1	135.2	-104.7	0	0	0	0	127.8
362	D	28.4	Very low	28.8	Very low	164 Å²	164	126 Å²	126	88%	0.877	76%	0.761	S	S	*	*				94.4	147.3	118.5	-148.5	14.5	0	0	0	124.1
363	G	26.4	Very low	28.5	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	76%	0.763	S	S	*	*			trans	110.3	98.3	145	0	0	0	0	0	123.2
364	G	24.6	Very low	28.4	Very low	79 Å²	79	127.1 Å²	127.1	81%	0.814	77%	0.767	S	S	*	*				96.4	99.3	126	0	0	0	0	0	124.8
365	L	27.3	Very low	28	Very low	162 Å²	162	125.2 Å²	125.2	85%	0.848	77%	0.765	S	S	*	*			trans	36.3	129.5	135	-66.3	168.6	0	0	0	125.9
366	M	26.5	Very low	27.5	Very low	149 Å²	149	124.3 Å²	124.3	73%	0.734	76%	0.763	S	S	*	*			trans	66.7	133.2	133.6	-68.2	-77.1	100.5	0	0	124.2
367	L	27.5	Very low	27.4	Very low	154 Å²	154	123.2 Å²	123.2	81%	0.806	76%	0.757	S	S	*	*			trans	50.7	143.4	147.9	-66.9	162.5	0	0	0	118.9
368	D	24	Very low	27.1	Very low	136 Å²	136	125.1 Å²	125.1	73%	0.727	76%	0.757	S	S	*	*			cis	-159.2	-162.4	49.5	-165.3	12.3	0	0	0	113.7
369	T	24.7	Very low	26.9	Very low	125 Å²	125	128.9 Å²	128.9	77%	0.767	77%	0.767	S	S	*	*			trans	-74.9	165.9	-168.4	51.3	0	0	0	0	118.9
370	G	24.6	Very low	27.8	Very low	79 Å²	79	125.9 Å²	125.9	81%	0.814	76%	0.757	S	S	*	*			trans	98.5	150.5	154.6	0	0	0	0	0	115.9
371	S	28.2	Very low	27.8	Very low	122 Å²	122	126.6 Å²	126.6	85%	0.853	76%	0.756	S	S	*	*			cis	-146.8	161.5	-9.3	-171.9	0	0	0	0	110.4
372	A	28.4	Very low	27.9	Very low	78 Å²	78	128.4 Å²	128.4	65%	0.645	76%	0.756	S	S	*	*			trans	-73.5	166.5	177.7	0	0	0	0	0	113.1
373	D	27.1	Very low	27.9	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	75%	0.753	S	S	*	*				-168.8	144.9	103.1	-96.9	-17.2	0	0	0	115.4
374	L	29.5	Very low	28	Very low	137 Å²	137	131 Å²	131	72%	0.717	75%	0.753	S	S	*	*			trans	38.5	121.3	136.3	-53	170.2	0	0	0	119.1
375	S	24.9	Very low	28.1	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	74%	0.744	S	S	*	*				65.4	132.9	58.7	91.4	0	0	0	0	113.1
376	D	26.1	Very low	28.1	Very low	142 Å²	142	131 Å²	131	76%	0.759	74%	0.742	S	S	*	*			cis	-167.1	-179.8	8.8	-170.5	11.5	0	0	0	110.3
377	L	29.8	Very low	28.2	Very low	114 Å²	114	134.8 Å²	134.8	60%	0.597	75%	0.748	S	S	*	*			trans	88.3	107.6	156.1	-52.4	-179.2	0	0	0	122.8
378	R	26.9	Very low	28.1	Very low	211 Å²	211	132 Å²	132	80%	0.796	75%	0.748	S	S	*	*				84	116.4	120.9	-69.6	-179.4	-173.3	-178.3	5.2	124.1
379	D	25.3	Very low	28.2	Very low	149 Å²	149	133 Å²	133	80%	0.797	75%	0.752	S	S	*	*				63.7	159.2	129.2	-86.2	-21.3	0	0	0	122.2
380	P	47.1	Very low	28.2	Very low	95 Å²	95	132.1 Å²	132.1	62%	0.617	75%	0.751	S	S	*	*			cis	-132.1	-164.6	-15.6	32.3	-10.4	0	0	0	114
381	D	27.2	Very low	28.3	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	75%	0.752	S	S	*	*			trans	96	133	145.5	-76.3	-22.3	0	0	0	124.1
382	L	32.1	Very low	28.1	Very low	153 Å²	153	134 Å²	134	80%	0.801	75%	0.748	S	S	*	*			trans	69.9	90.4	146.9	-64.4	168.6	0	0	0	123.2
383	D	28.3	Very low	28.1	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	76%	0.755	S	S	*	*				79.3	140.1	111.9	-142.9	16.4	0	0	0	124.7
384	D	27.5	Very low	28	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	76%	0.761	S	S	*	*			trans	50.7	146.9	161.7	-143.1	9.4	0	0	0	125.4
385	S	27.9	Very low	27.8	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	76%	0.764	S	S	*	*			trans	90.4	87.6	147.4	78.4	0	0	0	0	121.9
386	N	26.8	Very low	27.9	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	77%	0.768	S	S	*	*				76.5	145.5	127.8	-77.4	-63.1	0	0	0	123.7
387	R	28.4	Very low	28.1	Very low	229 Å²	229	139.2 Å²	139.2	86%	0.864	77%	0.77	S	S	*	*			trans	75.4	76.5	156.6	-72.8	180	175.8	-180	-0.2	121.3
388	A	24.8	Very low	27.8	Very low	96 Å²	96	138.9 Å²	138.9	79%	0.793	78%	0.775	S	S	*	*				56	150.4	101.5	0	0	0	0	0	123.4
389	I	26.2	Very low	28	Very low	158 Å²	158	137.6 Å²	137.6	81%	0.81	78%	0.783	S	S	*	*			trans	94.4	83	164.7	-50.2	175.9	0	0	0	116.6
390	S	26.2	Very low	28.2	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	79%	0.786	S	S	*	*				45.3	116.9	128.6	-53.2	0	0	0	0	121.4
391	P	25.3	Very low	27.2	Very low	131 Å²	131	145.2 Å²	145.2	85%	0.851	80%	0.798	S	S	*	*			trans	-80.1	165.3	166.3	35.3	-35.8	0	0	0	113.2
392	S	23.8	Very low	27.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	81%	0.805	S	S	*	*			trans	-97.2	139.3	174.8	-65.7	0	0	0	0	112.7
393	T	28.2	Very low	27.3	Very low	132 Å²	132	145.4 Å²	145.4	81%	0.81	80%	0.802	S	S	*	*			trans	41.9	113.2	147.9	56.5	0	0	0	0	120.5
394	S	25.1	Very low	27.2	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	81%	0.806	S	S	*	*				-172.3	168.9	113.7	43.8	0	0	0	0	111.6
395	N	26.8	Very low	27.1	Very low	144 Å²	144	146 Å²	146	77%	0.77	81%	0.808	S	S	*	*			trans	-107	148.2	-161.7	-53	-64	0	0	0	114.6
396	N	26.6	Very low	27.4	Very low	149 Å²	149	149 Å²	149	80%	0.797	82%	0.822	S	S	*	*			trans	118.5	156.5	135.5	-64.2	-40.7	0	0	0	119
397	I	29.7	Very low	27.5	Very low	159 Å²	159	150.2 Å²	150.2	82%	0.815	82%	0.82	S	S	*	*			trans	75.4	136.3	165.2	-42.5	-176.8	0	0	0	115.5
398	P	24.7	Very low	28.1	Very low	108 Å²	108	147.3 Å²	147.3	70%	0.701	82%	0.816	S	S	*	*			cis	-126.2	175.3	-29.1	37.8	-22	0	0	0	113.9	M400	P398-M400 VanDerWaalsContact C-N 3.34Å; P398-M400 PolarHBondContact O-N 3.16Å
399	L	29.9	Very low	28.3	Very low	184 Å²	184	148.8 Å²	148.8	96%	0.963	82%	0.815	S	S	*	*	S	Bend	trans	-79.3	60.4	175.5	-85	166	0	0	0	114
400	M	28.9	Very low	28.6	Very low	174 Å²	174	151.1 Å²	151.1	86%	0.857	82%	0.82	S	S	*	*			trans	-150.6	46.9	176	-134.5	172.8	87.1	0	0	116.8	P398	P398-M400 VanDerWaalsContact C-N 3.34Å; P398-M400 PolarHBondContact O-N 3.16Å
401	R	27.8	Very low	29.1	Very low	229 Å²	229	154.1 Å²	154.1	86%	0.864	82%	0.815	S	S	*	*			trans	-152.9	73.4	166.4	-164.7	173.7	-77.8	153.5	-6.3	113.8
402	I	29.1	Very low	29.8	Very low	175 Å²	175	157.2 Å²	157.2	90%	0.897	82%	0.815	S	S	*	*			trans	-130.8	61.2	161.5	-46.7	-178.3	0	0	0	109.8
403	V	31	Very low	30.6	Very low	124 Å²	124	159.8 Å²	159.8	75%	0.752	82%	0.82	S	S	*	*			trans	-137.6	142.6	160.6	-172.8	0	0	0	0	105.6
404	Q	26	Very low	31.9	Very low	190 Å²	190	155.8 Å²	155.8	89%	0.888	80%	0.797	S	S	*	*	S	Bend	trans	62.9	94.1	-167	-45.3	178.8	6.9	0	0	111.5
405	S	26.8	Very low	34	Very low	107 Å²	107	156.7 Å²	156.7	75%	0.748	79%	0.792	S	S	*	*				-149.3	112.3	62	48.9	0	0	0	0	114	K407	S405-K407 VanDerWaalsContact C-N 3.31Å; S405-K407 PolarHBondContact O-N 3.48Å; S405-K407 VanDerWaalsContact O-N 3.07Å
406	V	33.2	Very low	36.5	Very low	150 Å²	150	153 Å²	153	91%	0.909	78%	0.775	S	S	*	*			trans	-78	86.8	159.1	-178.6	0	0	0	0	107.7
407	K	28.7	Very low	39.1	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	76%	0.756	S	S	*	*			trans	-124.4	127.6	165.1	-79.3	-169	174.1	-178.3	0	109.5	S405 T409	S405-K407 VanDerWaalsContact C-N 3.31Å; S405-K407 PolarHBondContact O-N 3.48Å; S405-K407 VanDerWaalsContact O-N 3.07Å; K407-T409 PolarHBondContact O-N 2.92Å; K407-T409 VanDerWaalsContact O-N 3.16Å
408	H	40.6	Very low	41.9	Very low	169 Å²	169	144.8 Å²	144.8	78%	0.782	73%	0.729	S	S	*	*			trans	-56.2	111.1	-168.8	-67	-111	0	0	0	113.8
409	T	29.7	Very low	45.1	Very low	127 Å²	127	143.9 Å²	143.9	78%	0.779	72%	0.715	S	S	*	*			trans	-145.4	130.1	152.1	42.5	0	0	0	0	111.1	K407	K407-T409 PolarHBondContact O-N 2.92Å; K407-T409 VanDerWaalsContact O-N 3.16Å
410	K	32	Very low	47.9	Very low	207 Å²	207	135.9 Å²	135.9	90%	0.9	68%	0.677	S	S	*	*			trans	57.2	86.9	169.3	-59.6	-176.5	179.2	-179.2	0	116.2
411	R	38.2	Very low	50.7	Low	168 Å²	168	130.4 Å²	130.4	63%	0.634	65%	0.647	S	S	*	*			trans	-54.4	154.6	151	-73.3	-176.9	179.2	136.6	-0.8	109.1	E458	R411-E458 IonicContact CZ-OE1 3.19Å; R411-E458 IonicContact CZ-OE2 3.66Å; R411-E458 IonicContact NH1-OE1 3.06Å; R411-E458 PolarHBondContact NH1-OE1 3.35Å; R411-E458 IonicContact NH1-OE2 2.69Å; R411-E458 PolarHBondContact NH1-OE2 3.19Å; R411-E458 IonicContact NH2-OE1 2.77Å; R411-E458 IonicContact NH2-OE2 3.47Å; R411-E458 PolarHBondContact NH2-OE2 3.44Å
412	K	39.2	Very low	53.7	Low	197 Å²	197	119.6 Å²	119.6	86%	0.857	61%	0.606	S	S	*	*			trans	-55.3	148.5	162.9	-72.7	176	178.4	170.8	0	109.1	S414	K412-S414 PolarHBondContact O-N 2.82Å
413	N	39.8	Very low	56.6	Low	162 Å²	162	111.8 Å²	111.8	87%	0.866	57%	0.566	S	S	*	*			trans	-52.7	111.1	174	-65.8	23.8	0	0	0	110.5
414	S	56.2	Low	59.4	Low	47 Å²	47	106 Å²	106	33%	0.329	53%	0.531	S	S	.	.			trans	-70.3	147.6	152.9	44.7	0	0	0	0	108.4	K412 V416 D440	K412-S414 PolarHBondContact O-N 2.82Å; S414-V416 PolarHBondContact O-N 2.82Å; S414-D440 WeakPolarHBondContact CB-OD2 3.48Å; S414-D440 PolarHBondContact OG-OD2 3.12Å
415	N	68.6	Low	62.5	Low	141 Å²	141	97.3 Å²	97.3	75%	0.754	49%	0.49	S	S	*	.			trans	-75.5	116	173.5	-75.3	-13.6	0	0	0	108.2	M417	N415-M417 PolarHBondContact O-N 2.88Å
416	V	79	Confident	65.5	Low	66 Å²	66	92.8 Å²	92.8	40%	0.4	46%	0.458	S	S	.	.			trans	-63.9	123.9	174.6	177.6	0	0	0	0	108.9	S414 E419 R438	S414-V416 PolarHBondContact O-N 2.82Å; V416-E419 HydrophobicContact CG1-CB 4.07Å; V416-E419 HydrophobicContact CG1-CG 4.09Å; V416-R438 HydrophobicContact CB-CG 4.48Å; V416-R438 HydrophobicContact CG1-CG 3.86Å; V416-R438 HydrophobicContact CG2-CG 3.82Å
417	M	81.8	Confident	68.1	Low	83 Å²	83	87.9 Å²	87.9	41%	0.409	43%	0.431	S	S	.	.	S	Bend	trans	-88.7	-35.9	178.4	-63.9	179	61.3	0	0	111.4	N415 L439 A532	N415-M417 PolarHBondContact O-N 2.88Å; M417-L439 HydrophobicContact CB-CD2 4.38Å; M417-L439 HydrophobicContact CB-CG 4.24Å; M417-L439 PolarHBondContact N-O 3.2Å; M417-A532 HydrophobicContact CE-CB 3.73Å; M417-A532 HydrophobicContact SD-CB 3.92Å
418	K	88.1	Confident	70.9	Confident	54 Å²	54	87.1 Å²	87.1	24%	0.235	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	144.5	174.7	-169.1	178.3	179.6	82.9	0	110.2	L439 M524 W525 A528	K418-L439 HydrophobicContact CB-CB 4.42Å; K418-L439 HydrophobicContact CB-CD2 4.41Å; K418-L439 PolarHBondContact N-O 2.91Å; K418-L439 PolarHBondContact O-N 3.07Å; K418-M524 WeakPolarHBondContact CD-O 3.12Å; K418-M524 WeakPolarHBondContact CE-O 3.4Å; K418-M524 PolarHBondContact NZ-O 3.25Å; K418-M524 VanDerWaalsContact NZ-O 3.12Å; K418-W525 HydrophobicContact CB-CH2 4.25Å; K418-W525 HydrophobicContact CB-CZ3 4.23Å; K418-W525 HydrophobicContact CD-CD2 3.62Å; K418-W525 HydrophobicContact CD-CE3 3.77Å; K418-W525 HydrophobicContact CD-CG 4.09Å; K418-W525 HydrophobicContact CD-CH2 4.29Å; K418-W525 HydrophobicContact CD-CZ2 4.18Å; K418-W525 HydrophobicContact CD-CZ3 4.1Å; K418-W525 HydrophobicContact CG-CD2 4.36Å; K418-W525 HydrophobicContact CG-CE3 4.37Å; K418-W525 HydrophobicContact CG-CH2 4.01Å; K418-W525 HydrophobicContact CG-CZ2 4.01Å; K418-W525 HydrophobicContact CG-CZ3 4.2Å; K418-A528 HydrophobicContact CB-CB 4.33Å; K418-A528 HydrophobicContact CD-CB 3.53Å
419	E	91.8	Very high	73	Confident	89 Å²	89	81.2 Å²	81.2	42%	0.416	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.1	169.3	58.8	-179.7	-166.1	0	0	112.1	V416 Y436 W437 R438	V416-E419 HydrophobicContact CG1-CB 4.07Å; V416-E419 HydrophobicContact CG1-CG 4.09Å; E419-Y436 HydrophobicContact CB-CE1 3.87Å; E419-Y436 VanDerWaalsContact CD-OH 3.3Å; E419-Y436 HydrophobicContact CG-CE1 4.37Å; E419-Y436 VanDerWaalsContact CG-OH 3.31Å; E419-Y436 WeakPolarHBondContact CG-OH 3.38Å; E419-W437 CarbonylContact C-O 3.55Å; E419-W437 WeakPolarHBondContact CA-O 3.31Å; E419-W437 WeakPolarHBondContact CB-O 3.24Å; E419-R438 HydrophobicContact CB-CB 4.29Å; E419-R438 HydrophobicContact CB-CG 4.4Å; E419-R438 IonicContact OE2-CZ 2.71Å; E419-R438 IonicContact OE2-NE 3.39Å; E419-R438 PolarHBondContact OE2-NE 3.14Å; E419-R438 IonicContact OE2-NH2 2.8Å; E419-R438 PolarHBondContact OE2-NH2 2.9Å
420	G	89.9	Confident	75.6	Confident	16 Å²	16	78.6 Å²	78.6	17%	0.165	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.4	168.6	-175.7	0	0	0	0	0	113.6	W437	G420-W437 PolarHBondContact N-O 2.95Å; G420-W437 PolarHBondContact O-N 2.85Å
421	W	88.4	Confident	78.1	Confident	59 Å²	59	74.3 Å²	74.3	22%	0.223	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.9	177.9	-69.7	101.2	0	0	0	112.3	R434 Y436 Q448 G516	W421-R434 HydrophobicContact CE3-CG 3.95Å; W421-R434 VanDerWaalsContact CE3-NH1 3.28Å; W421-R434 VanDerWaalsContact CG-CZ 3.5Å; W421-R434 VanDerWaalsContact CG-NH2 3.29Å; W421-Y436 AromaticContact CD1-CD2 3.88Å; W421-Y436 AromaticContact CD2-CD2 3.96Å; W421-Y436 HydrophobicContact CD2-CD2 3.96Å; W421-Y436 AromaticContact CE2-CD2 3.83Å; W421-Y436 HydrophobicContact CG-CD2 4.02Å; W421-Y436 HydrophobicContact CZ2-CD2 4.43Å; W421-Y436 AromaticContact NE1-CD2 3.74Å; W421-Q448 WeakPolarHBondContact CH2-O 3.4Å; W421-G516 WeakPolarHBondContact O-CA 3.5Å
422	M	90	Very high	80.4	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.7	171.5	-75.1	-61.8	-74.6	0	0	111.5	R434 H435 W437 F485 V496 V521 W525	M422-R434 WeakPolarHBondContact O-CA 3.37Å; M422-H435 PolarHBondContact N-O 3.28Å; M422-H435 PolarHBondContact O-N 2.84Å; M422-W437 HydrophobicContact CB-CD2 3.86Å; M422-W437 HydrophobicContact CB-CE3 4.49Å; M422-W437 HydrophobicContact CB-CG 3.86Å; M422-W437 HydrophobicContact CG-CD2 4.17Å; M422-W437 HydrophobicContact CG-CE3 4.41Å; M422-W437 HydrophobicContact CG-CG 4.2Å; M422-F485 HydrophobicContact CE-CE1 4.22Å; M422-F485 HydrophobicContact CE-CZ 4.48Å; M422-V496 HydrophobicContact CE-CG1 3.57Å; M422-V521 HydrophobicContact SD-CG1 4.02Å; M422-W525 HydrophobicContact CE-CB 4.24Å; M422-W525 HydrophobicContact CE-CG 4.21Å; M422-W525 HydrophobicContact CG-CD2 4.09Å; M422-W525 HydrophobicContact CG-CG 4.05Å; M422-W525 HydrophobicContact CG-CZ2 4.36Å; M422-W525 HydrophobicContact SD-CG 3.89Å
423	V	89.6	Confident	82.7	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.9	169.9	-177.4	0	0	0	0	109.3	R432 R434 G497 E498 V517	V423-R432 HydrophobicContact CG1-CB 4.17Å; V423-R434 HydrophobicContact CG2-CB 4.21Å; V423-R434 HydrophobicContact CG2-CG 4.12Å; V423-G497 PolarHBondContact O-N 3.31Å; V423-E498 HydrophobicContact CB-CG 4.15Å; V423-E498 HydrophobicContact CG1-CG 3.95Å; V423-V517 HydrophobicContact CG2-CG2 4.2Å
424	H	90.7	Very high	85.1	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162	174	71	107.9	0	0	0	112.5	K433 H435 W437 L446 Y495 V496	H424-K433 PolarHBondContact CD2-O 2.83Å; H424-K433 PolarHBondContact N-O 2.77Å; H424-K433 VanDerWaalsContact N-O 3.08Å; H424-K433 PolarHBondContact O-N 3.49Å; H424-H435 AromaticContact NE2-CG 3.89Å; H424-H435 AromaticContact NE2-ND1 3.23Å; H424-H435 PolarHBondContact NE2-ND1 2.87Å; H424-W437 HydrophobicContact CB-CZ2 3.96Å; H424-W437 AromaticContact CD2-NE1 3.79Å; H424-W437 AromaticContact CG-CZ2 3.98Å; H424-L446 WeakPolarHBondContact NE2-CD2 3.5Å; H424-Y495 CarbonylContact C-O 3.09Å; H424-Y495 VanDerWaalsContact CA-O 3.23Å; H424-Y495 WeakPolarHBondContact CA-O 3.36Å; H424-V496 HydrophobicContact CB-CG2 4.39Å
425	Y	90.1	Very high	86.8	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.027	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	176.9	164.2	63.4	-81.7	0	0	0	109.3	R432 L476 H483 Y494 Y495	Y425-R432 HydrophobicContact CD1-CG 3.97Å; Y425-R432 HydrophobicContact CG-CG 4.44Å; Y425-L476 WeakPolarHBondContact OH-CD2 3.44Å; Y425-H483 HydrophobicContact CE1-CB 4.31Å; Y425-H483 PolarHBondContact OH-ND1 2.86Å; Y425-Y494 WeakPolarHBondContact O-CA 3.42Å; Y425-Y495 AromaticContact CD2-CD2 3.55Å; Y425-Y495 HydrophobicContact CD2-CD2 3.55Å; Y425-Y495 HydrophobicContact CD2-CE2 4.46Å; Y425-Y495 HydrophobicContact CD2-CG 4.07Å; Y425-Y495 VanDerWaalsContact CE1-CB 3.48Å; Y425-Y495 HydrophobicContact CE1-CG 4.34Å; Y425-Y495 HydrophobicContact CE2-CD1 4.49Å; Y425-Y495 AromaticContact CE2-CD2 3.34Å; Y425-Y495 HydrophobicContact CE2-CD2 3.34Å; Y425-Y495 HydrophobicContact CE2-CE2 4.15Å; Y425-Y495 AromaticContact CE2-CG 3.55Å; Y425-Y495 HydrophobicContact CE2-CG 3.55Å; Y425-Y495 HydrophobicContact CG-CD2 4.36Å; Y425-Y495 AromaticContact CZ-CG 3.71Å; Y425-Y495 PolarHBondContact N-O 3.09Å; Y425-Y495 PolarHBondContact O-N 3.03Å
426	T	90.4	Very high	87.8	Confident	12 Å²	12	54 Å²	54	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.5	-174.2	72.1	0	0	0	0	113.8	K428 D429 V493 Y494	T426-K428 PolarHBondContact O-N 3.03Å; T426-D429 PolarHBondContact N-O 3.46Å; T426-D429 CarbonylContact O-C 3.6Å; T426-D429 VanDerWaalsContact O-C 3.25Å; T426-D429 PolarHBondContact O-N 3.17Å; T426-D429 PolarHBondContact OG1-N 3.04Å; T426-V493 CarbonylContact C-O 3.59Å; T426-V493 VanDerWaalsContact CA-O 3.23Å; T426-V493 WeakPolarHBondContact CA-O 3.42Å; T426-V493 WeakPolarHBondContact CB-O 2.93Å; T426-Y494 HydrophobicContact CG2-CD1 3.52Å; T426-Y494 HydrophobicContact CG2-CE1 3.73Å; T426-Y494 HydrophobicContact CG2-CG 4.21Å
427	S	87.6	Confident	88.5	Confident	48 Å²	48	50.8 Å²	50.8	34%	0.336	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-2.7	177.3	60.2	0	0	0	0	115.8	V493	S427-V493 PolarHBondContact N-O 3.38Å; S427-V493 PolarHBondContact OG-N 3.19Å; S427-V493 VanDerWaalsContact OG-N 3.09Å
428	K	86.6	Confident	89	Confident	162 Å²	162	49.6 Å²	49.6	70%	0.704	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-4.7	170.8	-63.5	-173.6	-169.6	-179	0	114	T426 L492	T426-K428 PolarHBondContact O-N 3.03Å; K428-L492 HydrophobicContact CB-CD2 3.94Å; K428-L492 HydrophobicContact CD-CD2 3.69Å; K428-L492 HydrophobicContact CG-CD2 3.59Å
429	D	85.6	Confident	89.1	Confident	45 Å²	45	47 Å²	47	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	100.9	-175.1	177.1	10.7	0	0	0	108.7	T426 L431 K433	T426-D429 PolarHBondContact N-O 3.46Å; T426-D429 CarbonylContact O-C 3.6Å; T426-D429 VanDerWaalsContact O-C 3.25Å; T426-D429 PolarHBondContact O-N 3.17Å; T426-D429 PolarHBondContact OG1-N 3.04Å; D429-L431 VanDerWaalsContact C-N 3.27Å; D429-L431 PolarHBondContact O-N 3.48Å; D429-L431 WeakPolarHBondContact OD1-CB 3.16Å; D429-L431 PolarHBondContact OD1-N 3.38Å; D429-L431 VanDerWaalsContact OD1-N 3.16Å; D429-K433 IonicContact OD2-NZ 3.13Å; D429-K433 PolarHBondContact OD2-NZ 3.15Å
430	T	84.1	Confident	88.8	Confident	72 Å²	72	43.4 Å²	43.4	44%	0.442	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-3.4	-176.7	51.8	0	0	0	0	113.2	R432 L475	T430-R432 PolarHBondContact O-N 3.13Å; T430-L475 HydrophobicContact CG2-CB 4.37Å
431	L	85.3	Confident	88.1	Confident	118 Å²	118	44 Å²	44	62%	0.618	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.1	176	-63.5	175.7	0	0	0	110.1	D429 K433	D429-L431 VanDerWaalsContact C-N 3.27Å; D429-L431 PolarHBondContact O-N 3.48Å; D429-L431 WeakPolarHBondContact OD1-CB 3.16Å; D429-L431 PolarHBondContact OD1-N 3.38Å; D429-L431 VanDerWaalsContact OD1-N 3.16Å; L431-K433 PolarHBondContact O-N 2.64Å
432	R	85.2	Confident	87.6	Confident	73 Å²	73	44.9 Å²	44.9	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130	178.4	-64.2	-171.6	-178.5	-169.3	-3.8	111.1	V423 Y425 T430 N481 E498	V423-R432 HydrophobicContact CG1-CB 4.17Å; Y425-R432 HydrophobicContact CD1-CG 3.97Å; Y425-R432 HydrophobicContact CG-CG 4.44Å; T430-R432 PolarHBondContact O-N 3.13Å; R432-N481 PolarHBondContact NH1-O 2.68Å; R432-N481 PolarHBondContact NH2-O 2.57Å; R432-E498 VanDerWaalsContact CD-OE1 3.24Å; R432-E498 WeakPolarHBondContact CD-OE1 3.32Å; R432-E498 IonicContact CZ-OE1 3.62Å; R432-E498 IonicContact NE-OE1 3.83Å; R432-E498 IonicContact NH1-OE1 2.7Å; R432-E498 PolarHBondContact NH1-OE1 2.98Å
433	K	88.1	Confident	87.6	Confident	57 Å²	57	44.9 Å²	44.9	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120	-174.3	-76.1	165.9	176.9	174.6	0	109.7	H424 D429 L431 Y456	H424-K433 PolarHBondContact CD2-O 2.83Å; H424-K433 PolarHBondContact N-O 2.77Å; H424-K433 VanDerWaalsContact N-O 3.08Å; H424-K433 PolarHBondContact O-N 3.49Å; D429-K433 IonicContact OD2-NZ 3.13Å; D429-K433 PolarHBondContact OD2-NZ 3.15Å; L431-K433 PolarHBondContact O-N 2.64Å; K433-Y456 PolarHBondContact NZ-OH 2.67Å
434	R	89.5	Confident	87.8	Confident	111 Å²	111	44.4 Å²	44.4	42%	0.419	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.2	172.9	-168.9	171.4	177.4	-86.5	5.9	109.3	W421 M422 V423 S515	W421-R434 HydrophobicContact CE3-CG 3.95Å; W421-R434 VanDerWaalsContact CE3-NH1 3.28Å; W421-R434 VanDerWaalsContact CG-CZ 3.5Å; W421-R434 VanDerWaalsContact CG-NH2 3.29Å; M422-R434 WeakPolarHBondContact O-CA 3.37Å; V423-R434 HydrophobicContact CG2-CB 4.21Å; V423-R434 HydrophobicContact CG2-CG 4.12Å; R434-S515 PolarHBondContact NE-O 2.77Å; R434-S515 PolarHBondContact NH2-O 3.29Å
435	H	91.9	Very high	87.9	Confident	16 Å²	16	44.6 Å²	44.6	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.2	-179	-78.4	84.5	0	0	0	110.2	M422 H424 W437 L446 Y447 Y456	M422-H435 PolarHBondContact N-O 3.28Å; M422-H435 PolarHBondContact O-N 2.84Å; H424-H435 AromaticContact NE2-CG 3.89Å; H424-H435 AromaticContact NE2-ND1 3.23Å; H424-H435 PolarHBondContact NE2-ND1 2.87Å; H435-W437 PolarHBondContact O-N 3.19Å; H435-L446 HydrophobicContact CB-CB 4.22Å; H435-Y447 PolarHBondContact CD2-O 2.96Å; H435-Y456 AromaticContact CE1-CD1 3.9Å; H435-Y456 AromaticContact CE1-CG 3.84Å; H435-Y456 WeakPolarHBondContact NE2-CB 3.48Å; H435-Y456 AromaticContact NE2-CD1 3.8Å; H435-Y456 AromaticContact NE2-CD2 3.87Å; H435-Y456 AromaticContact NE2-CG 3.36Å
436	Y	90.8	Very high	88	Confident	30 Å²	30	44.3 Å²	44.3	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.7	173.1	-170.6	-91.5	0	0	0	109.3	E419 W421 Y447 D450	E419-Y436 HydrophobicContact CB-CE1 3.87Å; E419-Y436 VanDerWaalsContact CD-OH 3.3Å; E419-Y436 HydrophobicContact CG-CE1 4.37Å; E419-Y436 VanDerWaalsContact CG-OH 3.31Å; E419-Y436 WeakPolarHBondContact CG-OH 3.38Å; W421-Y436 AromaticContact CD1-CD2 3.88Å; W421-Y436 AromaticContact CD2-CD2 3.96Å; W421-Y436 HydrophobicContact CD2-CD2 3.96Å; W421-Y436 AromaticContact CE2-CD2 3.83Å; W421-Y436 HydrophobicContact CG-CD2 4.02Å; W421-Y436 HydrophobicContact CZ2-CD2 4.43Å; W421-Y436 AromaticContact NE1-CD2 3.74Å; Y436-Y447 PolarHBondContact N-O 2.96Å; Y436-Y447 WeakPolarHBondContact O-CB 3.37Å; Y436-Y447 PolarHBondContact O-N 3.08Å; Y436-D450 HydrophobicContact CD1-CB 4.31Å; Y436-D450 HydrophobicContact CD2-CB 3.65Å; Y436-D450 HydrophobicContact CE1-CB 4.37Å; Y436-D450 HydrophobicContact CE2-CB 3.72Å; Y436-D450 HydrophobicContact CG-CB 3.94Å
437	W	93.2	Very high	88	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.4	-177.9	-74	33.4	0	0	0	110	E419 G420 M422 H424 H435 I444 T445 L446 I487 V496 W525 I529	E419-W437 CarbonylContact C-O 3.55Å; E419-W437 WeakPolarHBondContact CA-O 3.31Å; E419-W437 WeakPolarHBondContact CB-O 3.24Å; G420-W437 PolarHBondContact N-O 2.95Å; G420-W437 PolarHBondContact O-N 2.85Å; M422-W437 HydrophobicContact CB-CD2 3.86Å; M422-W437 HydrophobicContact CB-CE3 4.49Å; M422-W437 HydrophobicContact CB-CG 3.86Å; M422-W437 HydrophobicContact CG-CD2 4.17Å; M422-W437 HydrophobicContact CG-CE3 4.41Å; M422-W437 HydrophobicContact CG-CG 4.2Å; H424-W437 HydrophobicContact CB-CZ2 3.96Å; H424-W437 AromaticContact CD2-NE1 3.79Å; H424-W437 AromaticContact CG-CZ2 3.98Å; H435-W437 PolarHBondContact O-N 3.19Å; W437-I444 HydrophobicContact CB-CG2 4.45Å; W437-I444 HydrophobicContact CD2-CG2 3.92Å; W437-I444 HydrophobicContact CE3-CG2 3.51Å; W437-I444 HydrophobicContact CG-CG2 4.36Å; W437-I444 HydrophobicContact CZ3-CD1 4.23Å; W437-I444 HydrophobicContact CZ3-CG2 3.98Å; W437-T445 CarbonylContact C-O 3.6Å; W437-T445 WeakPolarHBondContact CA-O 3.47Å; W437-L446 HydrophobicContact CD2-CG 4.34Å; W437-L446 HydrophobicContact CG-CG 4.29Å; W437-L446 HydrophobicContact CZ2-CD2 3.86Å; W437-L446 HydrophobicContact CZ2-CG 4.39Å; W437-I487 HydrophobicContact CH2-CD1 3.89Å; W437-I487 HydrophobicContact CZ3-CD1 3.98Å; W437-V496 HydrophobicContact CH2-CB 4.45Å; W437-V496 HydrophobicContact CH2-CG1 3.68Å; W437-V496 HydrophobicContact CH2-CG2 3.81Å; W437-V496 HydrophobicContact CZ2-CG1 4.17Å; W437-V496 HydrophobicContact CZ2-CG2 4.45Å; W437-V496 HydrophobicContact CZ3-CG1 4.13Å; W437-W525 HydrophobicContact CB-CH2 3.48Å; W437-W525 VanDerWaalsContact CB-CH2 3.48Å; W437-W525 HydrophobicContact CB-CZ2 3.83Å; W437-W525 HydrophobicContact CB-CZ3 4.01Å; W437-W525 HydrophobicContact CE3-CE3 4.24Å; W437-W525 HydrophobicContact CE3-CZ3 4.27Å; W437-I529 HydrophobicContact CZ3-CD1 4.15Å
438	R	92.2	Very high	88	Confident	58 Å²	58	47.7 Å²	47.7	22%	0.219	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	115.9	171.7	178.5	175.3	-76.2	137.5	1.3	108.7	V416 E419 T445 Y447	V416-R438 HydrophobicContact CB-CG 4.48Å; V416-R438 HydrophobicContact CG1-CG 3.86Å; V416-R438 HydrophobicContact CG2-CG 3.82Å; E419-R438 HydrophobicContact CB-CB 4.29Å; E419-R438 HydrophobicContact CB-CG 4.4Å; E419-R438 IonicContact OE2-CZ 2.71Å; E419-R438 IonicContact OE2-NE 3.39Å; E419-R438 PolarHBondContact OE2-NE 3.14Å; E419-R438 IonicContact OE2-NH2 2.8Å; E419-R438 PolarHBondContact OE2-NH2 2.9Å; R438-T445 PolarHBondContact N-O 2.83Å; R438-T445 PolarHBondContact O-N 3.26Å; R438-Y447 HydrophobicContact CB-CD2 4.16Å; R438-Y447 HydrophobicContact CB-CE2 3.87Å
439	L	90.6	Very high	87.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.6	177.6	170.4	68.6	0	0	0	109.7	M417 K418 I444 L461 W525 A528 I529 A532	M417-L439 HydrophobicContact CB-CD2 4.38Å; M417-L439 HydrophobicContact CB-CG 4.24Å; M417-L439 PolarHBondContact N-O 3.2Å; K418-L439 HydrophobicContact CB-CB 4.42Å; K418-L439 HydrophobicContact CB-CD2 4.41Å; K418-L439 PolarHBondContact N-O 2.91Å; K418-L439 PolarHBondContact O-N 3.07Å; L439-I444 HydrophobicContact CD1-CG1 3.79Å; L439-L461 HydrophobicContact CD1-CD1 4.16Å; L439-L461 HydrophobicContact CD1-CD2 3.87Å; L439-L461 HydrophobicContact CD1-CG 4.47Å; L439-W525 HydrophobicContact CB-CZ3 3.93Å; L439-A528 HydrophobicContact CD2-CB 4.14Å; L439-A528 WeakPolarHBondContact CD2-O 3.43Å; L439-I529 HydrophobicContact CD2-CG1 4.16Å; L439-A532 HydrophobicContact CD1-CB 3.82Å; L439-A532 HydrophobicContact CD2-CB 4.04Å; L439-A532 HydrophobicContact CG-CB 4.23Å
440	D	85.5	Confident	87.7	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.064	22%	0.216	C	C	.	.			trans	-128.6	-171.6	168.8	72.4	18	0	0	0	111.4	S414 K442 C443 L461	S414-D440 WeakPolarHBondContact CB-OD2 3.48Å; S414-D440 PolarHBondContact OG-OD2 3.12Å; D440-K442 PolarHBondContact O-N 3.2Å; D440-K442 VanDerWaalsContact O-N 3.09Å; D440-K442 WeakPolarHBondContact OD1-CA 3.31Å; D440-K442 PolarHBondContact OD1-N 3.28Å; D440-C443 PolarHBondContact N-O 2.89Å; D440-C443 PolarHBondContact OD1-N 3.09Å; D440-C443 PolarHBondContact OD1-SG 2.75Å; D440-C443 VanDerWaalsContact OD1-SG 3.39Å; D440-L461 WeakPolarHBondContact O-CD1 3.07Å
441	S	73.9	Confident	87.3	Confident	29 Å²	29	48.3 Å²	48.3	20%	0.203	23%	0.233	C	C	.	.	S	Bend	trans	-69.3	-0.2	-178.5	66	0	0	0	0	115.2	D579	S441-D579 PolarHBondContact OG-OD1 3.16Å
442	K	79.1	Confident	86.7	Confident	78 Å²	78	44 Å²	44	34%	0.339	22%	0.216	S	C	.	.	S	Bend	trans	-132.6	-28.6	-174.6	-51.9	-166.2	-171.3	-111.5	0	113.6	D440 P460 L461 D579 E580	D440-K442 PolarHBondContact O-N 3.2Å; D440-K442 VanDerWaalsContact O-N 3.09Å; D440-K442 WeakPolarHBondContact OD1-CA 3.31Å; D440-K442 PolarHBondContact OD1-N 3.28Å; K442-P460 WeakPolarHBondContact O-CA 3.22Å; K442-L461 PolarHBondContact O-N 2.93Å; K442-D579 WeakPolarHBondContact CE-OD2 3.46Å; K442-D579 IonicContact NZ-OD1 2.75Å; K442-D579 IonicContact NZ-OD2 3.78Å; K442-D579 PolarHBondContact NZ-OD2 3.23Å; K442-E580 IonicContact NZ-OE2 3.69Å
443	C	89.4	Confident	86.3	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.7	-174.6	66.8	0	0	0	0	114.6	D440 T445 E458 I459	D440-C443 PolarHBondContact N-O 2.89Å; D440-C443 PolarHBondContact OD1-N 3.09Å; D440-C443 PolarHBondContact OD1-SG 2.75Å; D440-C443 VanDerWaalsContact OD1-SG 3.39Å; C443-T445 PolarHBondContact SG-OG1 3.19Å; C443-E458 HydrophobicContact CB-CG 3.65Å; C443-I459 CarbonylContact C-O 3.25Å; C443-I459 VanDerWaalsContact CA-O 3.29Å; C443-I459 WeakPolarHBondContact CA-O 3.21Å; C443-I459 WeakPolarHBondContact CB-O 3.47Å
444	I	93.5	Very high	85.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.8	158.7	-54.6	167.3	0	0	0	106.8	W437 L439 L446 I459 L461 I464 I487 I529	W437-I444 HydrophobicContact CB-CG2 4.45Å; W437-I444 HydrophobicContact CD2-CG2 3.92Å; W437-I444 HydrophobicContact CE3-CG2 3.51Å; W437-I444 HydrophobicContact CG-CG2 4.36Å; W437-I444 HydrophobicContact CZ3-CD1 4.23Å; W437-I444 HydrophobicContact CZ3-CG2 3.98Å; L439-I444 HydrophobicContact CD1-CG1 3.79Å; I444-L446 HydrophobicContact CG2-CD1 3.96Å; I444-L446 WeakPolarHBondContact O-CD1 3.33Å; I444-I459 HydrophobicContact CB-CB 4.39Å; I444-I459 PolarHBondContact N-O 2.92Å; I444-I459 PolarHBondContact O-N 3.44Å; I444-L461 HydrophobicContact CD1-CD2 4.44Å; I444-L461 HydrophobicContact CG1-CD2 4.11Å; I444-I464 HydrophobicContact CD1-CD1 4.11Å; I444-I487 HydrophobicContact CD1-CD1 4.17Å; I444-I529 HydrophobicContact CD1-CD1 3.76Å; I444-I529 HydrophobicContact CD1-CG1 3.9Å; I444-I529 HydrophobicContact CD1-CG2 4.22Å
445	T	92.9	Very high	85.6	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.7	172.9	-55.9	0	0	0	0	110.2	W437 R438 C443 Y447 Y455	W437-T445 CarbonylContact C-O 3.6Å; W437-T445 WeakPolarHBondContact CA-O 3.47Å; R438-T445 PolarHBondContact N-O 2.83Å; R438-T445 PolarHBondContact O-N 3.26Å; C443-T445 PolarHBondContact SG-OG1 3.19Å; T445-Y447 HydrophobicContact CG2-CD2 3.86Å; T445-Y447 HydrophobicContact CG2-CE1 4.14Å; T445-Y447 HydrophobicContact CG2-CE2 3.37Å; T445-Y447 HydrophobicContact CG2-CG 4.42Å; T445-Y455 HydrophobicContact CG2-CD1 4.34Å; T445-Y455 HydrophobicContact CG2-CD2 4.37Å; T445-Y455 HydrophobicContact CG2-CG 3.88Å
446	L	93.2	Very high	85.4	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	90.3	-176.8	-68.4	79.8	0	0	0	109.1	H424 H435 W437 I444 Y455 Y456 R457 I459	H424-L446 WeakPolarHBondContact NE2-CD2 3.5Å; H435-L446 HydrophobicContact CB-CB 4.22Å; W437-L446 HydrophobicContact CD2-CG 4.34Å; W437-L446 HydrophobicContact CG-CG 4.29Å; W437-L446 HydrophobicContact CZ2-CD2 3.86Å; W437-L446 HydrophobicContact CZ2-CG 4.39Å; I444-L446 HydrophobicContact CG2-CD1 3.96Å; I444-L446 WeakPolarHBondContact O-CD1 3.33Å; L446-Y455 CarbonylContact O-C 3.22Å; L446-Y455 WeakPolarHBondContact O-CA 3.42Å; L446-Y455 WeakPolarHBondContact O-CB 3.45Å; L446-Y456 PolarHBondContact O-N 2.83Å; L446-R457 HydrophobicContact CD1-CB 4.5Å; L446-R457 PolarHBondContact N-O 2.87Å; L446-I459 HydrophobicContact CD1-CD1 3.75Å; L446-I459 HydrophobicContact CD1-CG1 3.87Å
447	Y	89.9	Confident	85.4	Confident	39 Å²	39	57 Å²	57	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	147.5	178.1	-67.4	-86.7	0	0	0	112.2	H435 Y436 R438 T445 N449 G452	H435-Y447 PolarHBondContact CD2-O 2.96Å; Y436-Y447 PolarHBondContact N-O 2.96Å; Y436-Y447 WeakPolarHBondContact O-CB 3.37Å; Y436-Y447 PolarHBondContact O-N 3.08Å; R438-Y447 HydrophobicContact CB-CD2 4.16Å; R438-Y447 HydrophobicContact CB-CE2 3.87Å; T445-Y447 HydrophobicContact CG2-CD2 3.86Å; T445-Y447 HydrophobicContact CG2-CE1 4.14Å; T445-Y447 HydrophobicContact CG2-CE2 3.37Å; T445-Y447 HydrophobicContact CG2-CG 4.42Å; Y447-N449 WeakPolarHBondContact CB-O 3.37Å; Y447-G452 VanDerWaalsContact CD1-O 3.26Å; Y447-G452 WeakPolarHBondContact CD1-O 3.26Å
448	Q	87.9	Confident	85.3	Confident	93 Å²	93	59.5 Å²	59.5	44%	0.435	30%	0.297	S	S	.	.	S	Bend	trans	-68.4	-42.4	173.5	-66.7	-179.8	-37.9	0	0	110.7	W421 K454	W421-Q448 WeakPolarHBondContact CH2-O 3.4Å; Q448-K454 PolarHBondContact N-O 2.73Å
449	N	84.6	Confident	85.2	Confident	93 Å²	93	56.8 Å²	56.8	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-131.3	149.3	178.9	-58.3	31.7	0	0	0	109.2	Y447 T451 G452	Y447-N449 WeakPolarHBondContact CB-O 3.37Å; N449-T451 VanDerWaalsContact C-N 3.27Å; N449-T451 PolarHBondContact O-N 3.1Å; N449-G452 PolarHBondContact O-N 2.88Å
450	D	81.3	Confident	85.1	Confident	70 Å²	70	58 Å²	58	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-39.6	174.7	47	20.4	0	0	0	114.9	Y436	Y436-D450 HydrophobicContact CD1-CB 4.31Å; Y436-D450 HydrophobicContact CD2-CB 3.65Å; Y436-D450 HydrophobicContact CE1-CB 4.37Å; Y436-D450 HydrophobicContact CE2-CB 3.72Å; Y436-D450 HydrophobicContact CG-CB 3.94Å
451	T	75.9	Confident	85.1	Confident	129 Å²	129	57.5 Å²	57.5	79%	0.791	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-5	-174.9	41.8	0	0	0	0	113	N449	N449-T451 VanDerWaalsContact C-N 3.27Å; N449-T451 PolarHBondContact O-N 3.1Å
452	G	72.4	Confident	85.3	Confident	27 Å²	27	56.9 Å²	56.9	28%	0.278	29%	0.288	S	S	.	.			trans	-89.4	148.6	-174.6	0	0	0	0	0	113.9	Y447 N449	Y447-G452 VanDerWaalsContact CD1-O 3.26Å; Y447-G452 WeakPolarHBondContact CD1-O 3.26Å; N449-G452 PolarHBondContact O-N 2.88Å
453	S	76	Confident	85.6	Confident	110 Å²	110	57.7 Å²	57.7	77%	0.769	29%	0.293	S	S	*	.	S	Bend	trans	-86.6	-13.3	169.8	57.6	0	0	0	0	113.8
454	K	79.8	Confident	85.4	Confident	155 Å²	155	57.8 Å²	57.8	67%	0.674	29%	0.293	S	S	*	.			trans	-79.6	123.6	176.1	-70.1	-174.9	178	-180	0	110.6	Q448	Q448-K454 PolarHBondContact N-O 2.73Å
455	Y	84.4	Confident	84.8	Confident	111 Å²	111	60.9 Å²	60.9	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.9	172.7	62.9	-90.6	0	0	0	111.2	T445 L446 E458	T445-Y455 HydrophobicContact CG2-CD1 4.34Å; T445-Y455 HydrophobicContact CG2-CD2 4.37Å; T445-Y455 HydrophobicContact CG2-CG 3.88Å; L446-Y455 CarbonylContact O-C 3.22Å; L446-Y455 WeakPolarHBondContact O-CA 3.42Å; L446-Y455 WeakPolarHBondContact O-CB 3.45Å; Y455-E458 HydrophobicContact CE2-CB 4.31Å
456	Y	87.2	Confident	84.3	Confident	90 Å²	90	62.2 Å²	62.2	35%	0.353	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-38.7	173.2	172.8	-104.1	0	0	0	111.2	K433 H435 L446	K433-Y456 PolarHBondContact NZ-OH 2.67Å; H435-Y456 AromaticContact CE1-CD1 3.9Å; H435-Y456 AromaticContact CE1-CG 3.84Å; H435-Y456 WeakPolarHBondContact NE2-CB 3.48Å; H435-Y456 AromaticContact NE2-CD1 3.8Å; H435-Y456 AromaticContact NE2-CD2 3.87Å; H435-Y456 AromaticContact NE2-CG 3.36Å; L446-Y456 PolarHBondContact O-N 2.83Å
457	R	89.4	Confident	84	Confident	95 Å²	95	63.8 Å²	63.8	36%	0.358	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	154.3	177.5	-141.7	176.1	-166.4	150.3	8.2	113	L446 Y494	L446-R457 HydrophobicContact CD1-CB 4.5Å; L446-R457 PolarHBondContact N-O 2.87Å; R457-Y494 VanDerWaalsContact CD-OH 3.26Å; R457-Y494 WeakPolarHBondContact CD-OH 3.48Å; R457-Y494 VanDerWaalsContact CZ-OH 3.27Å; R457-Y494 PolarHBondContact NE-OH 3.31Å; R457-Y494 PolarHBondContact NH1-OH 3.02Å; R457-Y494 VanDerWaalsContact NH1-OH 3.1Å
458	E	91.5	Very high	83.8	Confident	51 Å²	51	65.8 Å²	65.8	24%	0.238	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.7	160.5	-175.2	169.8	-70.4	0	0	106.5	R411 C443 Y455	R411-E458 IonicContact CZ-OE1 3.19Å; R411-E458 IonicContact CZ-OE2 3.66Å; R411-E458 IonicContact NH1-OE1 3.06Å; R411-E458 PolarHBondContact NH1-OE1 3.35Å; R411-E458 IonicContact NH1-OE2 2.69Å; R411-E458 PolarHBondContact NH1-OE2 3.19Å; R411-E458 IonicContact NH2-OE1 2.77Å; R411-E458 IonicContact NH2-OE2 3.47Å; R411-E458 PolarHBondContact NH2-OE2 3.44Å; C443-E458 HydrophobicContact CB-CG 3.65Å; Y455-E458 HydrophobicContact CE2-CB 4.31Å
459	I	91.1	Very high	83.6	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	103.2	173.1	-54.8	173.8	0	0	0	106.7	C443 I444 L446 I464 T489 Y494	C443-I459 CarbonylContact C-O 3.25Å; C443-I459 VanDerWaalsContact CA-O 3.29Å; C443-I459 WeakPolarHBondContact CA-O 3.21Å; C443-I459 WeakPolarHBondContact CB-O 3.47Å; I444-I459 HydrophobicContact CB-CB 4.39Å; I444-I459 PolarHBondContact N-O 2.92Å; I444-I459 PolarHBondContact O-N 3.44Å; L446-I459 HydrophobicContact CD1-CD1 3.75Å; L446-I459 HydrophobicContact CD1-CG1 3.87Å; I459-I464 HydrophobicContact CG2-CG1 4.27Å; I459-T489 HydrophobicContact CG2-CG2 4.3Å; I459-Y494 HydrophobicContact CD1-CD1 3.98Å; I459-Y494 HydrophobicContact CD1-CD2 4.22Å; I459-Y494 HydrophobicContact CD1-CE1 3.62Å; I459-Y494 HydrophobicContact CD1-CE2 3.87Å; I459-Y494 HydrophobicContact CD1-CG 4.28Å; I459-Y494 HydrophobicContact CG1-CE1 4.38Å; I459-Y494 HydrophobicContact CG1-CE2 4.43Å
460	P	88.2	Confident	83.4	Confident	27 Å²	27	61.5 Å²	61.5	18%	0.175	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.9	176.3	-24	35.9	0	0	0	111.6	K442 S462 E463	K442-P460 WeakPolarHBondContact O-CA 3.22Å; P460-S462 PolarHBondContact O-N 2.71Å; P460-E463 HydrophobicContact CB-CG 4.16Å; P460-E463 HydrophobicContact CG-CG 4.28Å; P460-E463 WeakPolarHBondContact CG-OE1 3.36Å; P460-E463 WeakPolarHBondContact O-CB 3.14Å; P460-E463 PolarHBondContact O-N 2.7Å
461	L	84.6	Confident	83	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.2	178.5	-65.7	177.6	0	0	0	112.5	L439 D440 K442 I444 E463 I464 A532 L533 R596	L439-L461 HydrophobicContact CD1-CD1 4.16Å; L439-L461 HydrophobicContact CD1-CD2 3.87Å; L439-L461 HydrophobicContact CD1-CG 4.47Å; D440-L461 WeakPolarHBondContact O-CD1 3.07Å; K442-L461 PolarHBondContact O-N 2.93Å; I444-L461 HydrophobicContact CD1-CD2 4.44Å; I444-L461 HydrophobicContact CG1-CD2 4.11Å; L461-E463 VanDerWaalsContact C-N 3.32Å; L461-I464 HydrophobicContact CD2-CD1 3.88Å; L461-I464 PolarHBondContact O-N 3.23Å; L461-A532 HydrophobicContact CD1-CB 3.71Å; L461-L533 HydrophobicContact CB-CD2 4.07Å; L461-L533 HydrophobicContact CD2-CD2 4.23Å; L461-L533 WeakPolarHBondContact O-CD2 3.46Å; L461-R596 PolarHBondContact O-NH1 3.03Å
462	S	77.9	Confident	82.6	Confident	17 Å²	17	61.2 Å²	61.2	12%	0.119	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-71.9	-19.6	172.3	54.8	0	0	0	0	114.4	P460	P460-S462 PolarHBondContact O-N 2.71Å
463	E	85.6	Confident	82.9	Confident	95 Å²	95	64.6 Å²	64.6	44%	0.444	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-87.2	-13.9	175.7	-71.2	179.9	-158.8	0	0	112.9	P460 L461 L465 T489	P460-E463 HydrophobicContact CB-CG 4.16Å; P460-E463 HydrophobicContact CG-CG 4.28Å; P460-E463 WeakPolarHBondContact CG-OE1 3.36Å; P460-E463 WeakPolarHBondContact O-CB 3.14Å; P460-E463 PolarHBondContact O-N 2.7Å; L461-E463 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 3.17Å; E463-T489 VanDerWaalsContact O-CA 3.3Å; E463-T489 WeakPolarHBondContact O-CA 3.49Å; E463-T489 VanDerWaalsContact O-CB 3.28Å; E463-T489 WeakPolarHBondContact O-CB 3.24Å
464	I	86.6	Confident	82.4	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.9	174.6	-57.6	-180	0	0	0	108.1	I444 I459 L461 S466 I487 I529 L533 R596	I444-I464 HydrophobicContact CD1-CD1 4.11Å; I459-I464 HydrophobicContact CG2-CG1 4.27Å; L461-I464 HydrophobicContact CD2-CD1 3.88Å; L461-I464 PolarHBondContact O-N 3.23Å; I464-S466 WeakPolarHBondContact CG2-O 3.42Å; I464-I487 HydrophobicContact CB-CG2 4.3Å; I464-I487 HydrophobicContact CD1-CG2 3.73Å; I464-I487 HydrophobicContact CG1-CG2 3.71Å; I464-I487 HydrophobicContact CG2-CG2 3.74Å; I464-I529 HydrophobicContact CD1-CG2 4.24Å; I464-L533 HydrophobicContact CB-CD2 3.99Å; I464-L533 HydrophobicContact CD1-CD2 4.28Å; I464-L533 HydrophobicContact CG2-CD1 4.01Å; I464-L533 HydrophobicContact CG2-CD2 4.27Å; I464-R596 WeakPolarHBondContact O-CD 3.49Å; I464-R596 PolarHBondContact O-NH1 3.14Å
465	L	80.8	Confident	81.7	Confident	66 Å²	66	59.6 Å²	59.6	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-36.5	-179.9	-58.6	-177.8	0	0	0	111.7	E463 T488 A490 R596	E463-L465 PolarHBondContact O-N 3.17Å; L465-T488 PolarHBondContact N-O 3.09Å; L465-A490 HydrophobicContact CD1-CB 4.2Å; L465-R596 HydrophobicContact CD2-CB 4.08Å
466	S	82.6	Confident	80.9	Confident	36 Å²	36	56.5 Å²	56.5	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.5	169	69.1	0	0	0	0	111.5	I464 T488	I464-S466 WeakPolarHBondContact CG2-O 3.42Å; S466-T488 PolarHBondContact O-N 3.47Å; S466-T488 WeakPolarHBondContact OG-CB 3.49Å; S466-T488 PolarHBondContact OG-OG1 3.11Å
467	L	87.1	Confident	79.7	Confident	33 Å²	33	56 Å²	56	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	106.3	172	177.4	72.1	0	0	0	105.8	F485 I487 E526 I529 Q530 L533	L467-F485 HydrophobicContact CD1-CD2 3.6Å; L467-F485 HydrophobicContact CD1-CE2 3.82Å; L467-I487 HydrophobicContact CD1-CG1 3.87Å; L467-E526 HydrophobicContact CD2-CG 4.27Å; L467-E526 WeakPolarHBondContact CD2-O 3.36Å; L467-I529 HydrophobicContact CD1-CG2 4.37Å; L467-I529 HydrophobicContact CD2-CB 4.19Å; L467-I529 HydrophobicContact CD2-CG2 4.04Å; L467-Q530 HydrophobicContact CD2-CB 3.99Å; L467-L533 HydrophobicContact CB-CD1 4.31Å; L467-L533 HydrophobicContact CD2-CD1 4.38Å
468	E	84	Confident	78	Confident	81 Å²	81	61.3 Å²	61.3	38%	0.379	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.1	-168.1	-67.3	-65.6	148.8	0	0	111	Q471 F485 E486	E468-Q471 PolarHBondContact OE2-NE2 3.13Å; E468-Q471 VanDerWaalsContact OE2-NE2 3.15Å; E468-F485 CarbonylContact O-C 2.82Å; E468-F485 WeakPolarHBondContact O-CA 3.33Å; E468-F485 WeakPolarHBondContact O-CB 3.35Å; E468-E486 PolarHBondContact N-O 3.21Å; E468-E486 PolarHBondContact O-N 3.18Å
469	P	83.6	Confident	76.5	Confident	72 Å²	72	63.1 Å²	63.1	47%	0.468	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	153	163.8	-22.3	33.9	0	0	0	111	Q471	P469-Q471 WeakPolarHBondContact O-CG 3.23Å; P469-Q471 PolarHBondContact O-N 3.34Å; P469-Q471 VanDerWaalsContact O-N 3.15Å; P469-Q471 PolarHBondContact O-NE2 2.86Å
470	A	81.6	Confident	75.4	Confident	23 Å²	23	64.7 Å²	64.7	19%	0.19	37%	0.374	C	S	.	.	S	Bend	trans	-57.2	119.1	179.5	0	0	0	0	0	112.4	F473 H483 C484	A470-F473 HydrophobicContact CB-CE1 3.82Å; A470-F473 HydrophobicContact CB-CZ 3.81Å; A470-F473 WeakPolarHBondContact O-CZ 3.28Å; A470-H483 VanDerWaalsContact CB-CD2 3.43Å; A470-H483 WeakPolarHBondContact CB-CD2 3.46Å; A470-H483 WeakPolarHBondContact CB-NE2 3.42Å; A470-H483 WeakPolarHBondContact CB-O 3.41Å; A470-C484 WeakPolarHBondContact CB-O 3Å; A470-C484 PolarHBondContact N-O 3.39Å; A470-C484 VanDerWaalsContact N-O 3.08Å
471	Q	73	Confident	74.7	Confident	128 Å²	128	66 Å²	66	60%	0.598	38%	0.38	S	S	*	.			trans	-126	-36	-175.9	-77.3	168.3	62.5	0	0	111.9	E468 P469 E486	E468-Q471 PolarHBondContact OE2-NE2 3.13Å; E468-Q471 VanDerWaalsContact OE2-NE2 3.15Å; P469-Q471 WeakPolarHBondContact O-CG 3.23Å; P469-Q471 PolarHBondContact O-N 3.34Å; P469-Q471 VanDerWaalsContact O-N 3.15Å; P469-Q471 PolarHBondContact O-NE2 2.86Å; Q471-E486 PolarHBondContact N-OE1 3.23Å
472	N	67.6	Low	74.6	Confident	66 Å²	66	67.3 Å²	67.3	35%	0.353	39%	0.388	S	S	.	.			trans	-105.1	93.2	-172	-172.9	-2.6	0	0	0	112.8	S474 H483 E486	N472-S474 WeakPolarHBondContact OD1-CB 3.03Å; N472-S474 PolarHBondContact OD1-N 3.02Å; N472-S474 PolarHBondContact OD1-OG 3.04Å; N472-H483 PolarHBondContact O-CE1 2.86Å; N472-E486 PolarHBondContact N-OE1 2.84Å
473	F	78.6	Confident	75	Confident	98 Å²	98	66.7 Å²	66.7	43%	0.43	38%	0.383	S	S	.	.			trans	-88.7	2.7	-179.7	-58.4	-60.8	0	0	0	114.7	A470 L475 L476 P482 H483	A470-F473 HydrophobicContact CB-CE1 3.82Å; A470-F473 HydrophobicContact CB-CZ 3.81Å; A470-F473 WeakPolarHBondContact O-CZ 3.28Å; F473-L475 PolarHBondContact O-N 2.77Å; F473-L475 VanDerWaalsContact O-N 3.11Å; F473-L476 HydrophobicContact CB-CD1 4.01Å; F473-L476 HydrophobicContact CD1-CD1 3.76Å; F473-L476 HydrophobicContact CG-CD1 4.3Å; F473-L476 WeakPolarHBondContact O-CB 3.41Å; F473-L476 PolarHBondContact O-N 2.95Å; F473-P482 HydrophobicContact CD1-CB 4.08Å; F473-P482 HydrophobicContact CE1-CB 3.82Å; F473-H483 AromaticContact CD1-CE1 3.55Å; F473-H483 AromaticContact CD1-ND1 3.97Å; F473-H483 AromaticContact CE1-CE1 3.64Å; F473-H483 AromaticContact CE1-ND1 4Å
474	S	65.3	Low	75	Confident	95 Å²	95	63 Å²	63	66%	0.664	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.8	-171.9	63.8	0	0	0	0	115.7	N472	N472-S474 WeakPolarHBondContact OD1-CB 3.03Å; N472-S474 PolarHBondContact OD1-N 3.02Å; N472-S474 PolarHBondContact OD1-OG 3.04Å
475	L	65.5	Low	75.2	Confident	65 Å²	65	63 Å²	63	34%	0.34	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.4	178.5	-62.1	178.3	0	0	0	113.6	T430 F473 Y495	T430-L475 HydrophobicContact CG2-CB 4.37Å; F473-L475 PolarHBondContact O-N 2.77Å; F473-L475 VanDerWaalsContact O-N 3.11Å; L475-Y495 HydrophobicContact CD1-CE2 3.96Å
476	L	66.2	Low	75.7	Confident	45 Å²	45	60.5 Å²	60.5	24%	0.236	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-80.3	127.9	177	-76.5	174.6	0	0	0	112	Y425 F473 A480 P482	Y425-L476 WeakPolarHBondContact OH-CD2 3.44Å; F473-L476 HydrophobicContact CB-CD1 4.01Å; F473-L476 HydrophobicContact CD1-CD1 3.76Å; F473-L476 HydrophobicContact CG-CD1 4.3Å; F473-L476 WeakPolarHBondContact O-CB 3.41Å; F473-L476 PolarHBondContact O-N 2.95Å; L476-A480 HydrophobicContact CD2-CB 4.43Å; L476-P482 HydrophobicContact CD1-CB 3.95Å
477	P	62.9	Low	76.2	Confident	79 Å²	79	58.8 Å²	58.8	51%	0.513	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-62.7	147.8	163.7	-19.6	32.6	0	0	0	111.4	G479 A480	P477-G479 PolarHBondContact O-N 2.98Å; P477-A480 HydrophobicContact CB-CB 4.36Å; P477-A480 WeakPolarHBondContact O-CB 3.47Å; P477-A480 PolarHBondContact O-N 3.02Å; P477-A480 VanDerWaalsContact O-N 3.1Å
478	E	53.4	Low	76.2	Confident	208 Å²	208	59.1 Å²	59.1	97%	0.972	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	129.3	175.8	-69.5	-171.8	122	0	0	111.4	A480	E478-A480 PolarHBondContact O-N 2.65Å
479	G	60.6	Low	76.5	Confident	88 Å²	88	55.7 Å²	55.7	91%	0.907	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-2.3	-178.8	0	0	0	0	0	116.1	P477	P477-G479 PolarHBondContact O-N 2.98Å
480	A	67.3	Low	76.3	Confident	34 Å²	34	56.1 Å²	56.1	28%	0.281	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80	136.8	177	0	0	0	0	0	112.7	L476 P477 E478	L476-A480 HydrophobicContact CD2-CB 4.43Å; P477-A480 HydrophobicContact CB-CB 4.36Å; P477-A480 WeakPolarHBondContact O-CB 3.47Å; P477-A480 PolarHBondContact O-N 3.02Å; P477-A480 VanDerWaalsContact O-N 3.1Å; E478-A480 PolarHBondContact O-N 2.65Å
481	N	75	Confident	76.4	Confident	56 Å²	56	61.8 Å²	61.8	30%	0.299	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.4	132.5	175.5	-64.7	-48.7	0	0	0	110.9	R432 E498	R432-N481 PolarHBondContact NH1-O 2.68Å; R432-N481 PolarHBondContact NH2-O 2.57Å; N481-E498 HydrophobicContact CB-CB 4.28Å
482	P	81.5	Confident	77.2	Confident	27 Å²	27	56.3 Å²	56.3	18%	0.175	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.1	154.4	177.8	22.9	-28.2	0	0	0	112.1	F473 L476 E498 N499 L501	F473-P482 HydrophobicContact CD1-CB 4.08Å; F473-P482 HydrophobicContact CE1-CB 3.82Å; L476-P482 HydrophobicContact CD1-CB 3.95Å; P482-E498 WeakPolarHBondContact O-CA 3.42Å; P482-N499 HydrophobicContact CG-CB 4.23Å; P482-N499 PolarHBondContact O-N 3.14Å; P482-L501 HydrophobicContact CG-CD1 3.83Å
483	H	86.4	Confident	78.2	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.014	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-71.1	167.3	169.8	58.1	-70.7	0	0	0	111.3	Y425 A470 N472 F473 E486 Y495 G497	Y425-H483 HydrophobicContact CE1-CB 4.31Å; Y425-H483 PolarHBondContact OH-ND1 2.86Å; A470-H483 VanDerWaalsContact CB-CD2 3.43Å; A470-H483 WeakPolarHBondContact CB-CD2 3.46Å; A470-H483 WeakPolarHBondContact CB-NE2 3.42Å; A470-H483 WeakPolarHBondContact CB-O 3.41Å; N472-H483 PolarHBondContact O-CE1 2.86Å; F473-H483 AromaticContact CD1-CE1 3.55Å; F473-H483 AromaticContact CD1-ND1 3.97Å; F473-H483 AromaticContact CE1-CE1 3.64Å; F473-H483 AromaticContact CE1-ND1 4Å; H483-E486 IonicContact CD2-OE1 2.83Å; H483-E486 IonicContact CE1-OE1 3.8Å; H483-E486 WeakPolarHBondContact NE2-CG 3.28Å; H483-E486 IonicContact NE2-OE1 2.73Å; H483-E486 PolarHBondContact NE2-OE1 2.97Å; H483-Y495 AromaticContact CD2-CD1 3.82Å; H483-Y495 AromaticContact CE1-CD1 3.83Å; H483-Y495 AromaticContact NE2-CD1 3.56Å; H483-G497 WeakPolarHBondContact CA-O 3.29Å
484	C	86.3	Confident	78.8	Confident	19 Å²	19	50.2 Å²	50.2	13%	0.128	31%	0.311	C	S	.	.	S	Bend	trans	-101.9	-40.5	-176	-63.2	0	0	0	0	112.9	A470 V496 A522	A470-C484 WeakPolarHBondContact CB-O 3Å; A470-C484 PolarHBondContact N-O 3.39Å; A470-C484 VanDerWaalsContact N-O 3.08Å; C484-V496 PolarHBondContact N-O 2.83Å; C484-A522 HydrophobicContact CB-CB 3.32Å; C484-A522 VanDerWaalsContact SG-CB 3.56Å
485	F	90	Very high	80	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166.4	179.1	67.4	-91.4	0	0	0	111.7	M422 L467 E468 I487 V496 A522 W525 E526 I529	M422-F485 HydrophobicContact CE-CE1 4.22Å; M422-F485 HydrophobicContact CE-CZ 4.48Å; L467-F485 HydrophobicContact CD1-CD2 3.6Å; L467-F485 HydrophobicContact CD1-CE2 3.82Å; E468-F485 CarbonylContact O-C 2.82Å; E468-F485 WeakPolarHBondContact O-CA 3.33Å; E468-F485 WeakPolarHBondContact O-CB 3.35Å; F485-I487 HydrophobicContact CD2-CG1 4.12Å; F485-I487 HydrophobicContact CE2-CD1 4.03Å; F485-I487 HydrophobicContact CE2-CG1 3.82Å; F485-V496 HydrophobicContact CD1-CB 4.36Å; F485-V496 HydrophobicContact CD2-CB 4.04Å; F485-V496 HydrophobicContact CD2-CG2 4.45Å; F485-V496 HydrophobicContact CE1-CB 4.04Å; F485-V496 HydrophobicContact CE1-CG1 3.77Å; F485-V496 HydrophobicContact CE2-CB 3.72Å; F485-V496 HydrophobicContact CE2-CG1 3.83Å; F485-V496 HydrophobicContact CE2-CG2 4.07Å; F485-V496 HydrophobicContact CG-CB 4.37Å; F485-V496 HydrophobicContact CZ-CB 3.72Å; F485-V496 HydrophobicContact CZ-CG1 3.36Å; F485-V496 HydrophobicContact CZ-CG2 4.44Å; F485-V496 PolarHBondContact N-O 2.92Å; F485-V496 PolarHBondContact O-N 2.87Å; F485-A522 HydrophobicContact CD1-CB 4.1Å; F485-A522 HydrophobicContact CE1-CB 4.05Å; F485-A522 WeakPolarHBondContact CE1-O 3.47Å; F485-W525 HydrophobicContact CE1-CB 4.33Å; F485-W525 HydrophobicContact CZ-CB 4.22Å; F485-E526 HydrophobicContact CD1-CB 4.05Å; F485-E526 HydrophobicContact CE1-CB 4.19Å; F485-E526 HydrophobicContact CG-CB 4.28Å; F485-E526 HydrophobicContact CG-CG 4.49Å; F485-I529 HydrophobicContact CE2-CD1 4.16Å; F485-I529 HydrophobicContact CZ-CD1 4.18Å
486	E	91.5	Very high	81.1	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	-174	-65.9	-178.9	-138.8	0	0	110.3	E468 Q471 N472 H483 V493 Y494 Y495	E468-E486 PolarHBondContact N-O 3.21Å; E468-E486 PolarHBondContact O-N 3.18Å; Q471-E486 PolarHBondContact N-OE1 3.23Å; N472-E486 PolarHBondContact N-OE1 2.84Å; H483-E486 IonicContact CD2-OE1 2.83Å; H483-E486 IonicContact CE1-OE1 3.8Å; H483-E486 WeakPolarHBondContact NE2-CG 3.28Å; H483-E486 IonicContact NE2-OE1 2.73Å; H483-E486 PolarHBondContact NE2-OE1 2.97Å; E486-V493 HydrophobicContact CB-CG1 4.11Å; E486-V493 HydrophobicContact CG-CG1 4.46Å; E486-Y494 WeakPolarHBondContact CA-O 3.41Å; E486-Y495 HydrophobicContact CG-CD1 3.76Å; E486-Y495 HydrophobicContact CG-CE1 4.09Å; E486-Y495 VanDerWaalsContact OE2-CE1 3.32Å; E486-Y495 WeakPolarHBondContact OE2-CE1 3.5Å
487	I	92.1	Very high	82.1	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.5	172.6	-47.2	178.2	0	0	0	108	W437 I444 I464 L467 F485 V493 Y494 V496 I529	W437-I487 HydrophobicContact CH2-CD1 3.89Å; W437-I487 HydrophobicContact CZ3-CD1 3.98Å; I444-I487 HydrophobicContact CD1-CD1 4.17Å; I464-I487 HydrophobicContact CB-CG2 4.3Å; I464-I487 HydrophobicContact CD1-CG2 3.73Å; I464-I487 HydrophobicContact CG1-CG2 3.71Å; I464-I487 HydrophobicContact CG2-CG2 3.74Å; L467-I487 HydrophobicContact CD1-CG1 3.87Å; F485-I487 HydrophobicContact CD2-CG1 4.12Å; F485-I487 HydrophobicContact CE2-CD1 4.03Å; F485-I487 HydrophobicContact CE2-CG1 3.82Å; I487-V493 WeakPolarHBondContact O-CA 3.39Å; I487-Y494 PolarHBondContact N-O 3.28Å; I487-Y494 PolarHBondContact O-N 3.22Å; I487-V496 HydrophobicContact CD1-CG2 4.04Å; I487-V496 HydrophobicContact CG1-CG2 4.05Å; I487-I529 HydrophobicContact CD1-CD1 4.24Å
488	T	88.6	Confident	83	Confident	39 Å²	39	38.8 Å²	38.8	24%	0.239	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.5	178.2	-57.9	0	0	0	0	110.4	L465 S466 V493	L465-T488 PolarHBondContact N-O 3.09Å; S466-T488 PolarHBondContact O-N 3.47Å; S466-T488 WeakPolarHBondContact OG-CB 3.49Å; S466-T488 PolarHBondContact OG-OG1 3.11Å; T488-V493 HydrophobicContact CG2-CG2 4.43Å
489	T	88.9	Confident	84.1	Confident	9 Å²	9	30.4 Å²	30.4	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	170.3	166.3	82.8	0	0	0	0	110.8	I459 E463 M491 L492 Y494	I459-T489 HydrophobicContact CG2-CG2 4.3Å; E463-T489 VanDerWaalsContact O-CA 3.3Å; E463-T489 WeakPolarHBondContact O-CA 3.49Å; E463-T489 VanDerWaalsContact O-CB 3.28Å; E463-T489 WeakPolarHBondContact O-CB 3.24Å; T489-M491 PolarHBondContact O-N 2.9Å; T489-M491 PolarHBondContact OG1-N 2.77Å; T489-L492 PolarHBondContact N-O 3.38Å; T489-L492 PolarHBondContact OG1-N 3.32Å; T489-L492 PolarHBondContact OG1-O 3.11Å; T489-Y494 HydrophobicContact CG2-CD2 4.39Å; T489-Y494 HydrophobicContact CG2-CE2 3.98Å
490	A	79.8	Confident	84.6	Confident	82 Å²	82	31.1 Å²	31.1	68%	0.678	18%	0.183	S	C	*	.	S	Bend	trans	-60.1	-13.2	179.9	0	0	0	0	0	115.1	L465	L465-A490 HydrophobicContact CD1-CB 4.2Å
491	M	83.8	Confident	84.2	Confident	142 Å²	142	35.3 Å²	35.3	70%	0.7	20%	0.2	S	C	*	.	S	Bend	trans	-123	-18.8	-176.5	-61.1	-173.1	78.8	0	0	115	T489	T489-M491 PolarHBondContact O-N 2.9Å; T489-M491 PolarHBondContact OG1-N 2.77Å
492	L	89.4	Confident	82.8	Confident	13 Å²	13	44.3 Å²	44.3	7%	0.068	23%	0.23	C	C	.	.			trans	-154.8	149.1	-169.6	-73.1	175.9	0	0	0	111.2	K428 T489 Y494	K428-L492 HydrophobicContact CB-CD2 3.94Å; K428-L492 HydrophobicContact CD-CD2 3.69Å; K428-L492 HydrophobicContact CG-CD2 3.59Å; T489-L492 PolarHBondContact N-O 3.38Å; T489-L492 PolarHBondContact OG1-N 3.32Å; T489-L492 PolarHBondContact OG1-O 3.11Å; L492-Y494 HydrophobicContact CB-CD2 4.49Å; L492-Y494 HydrophobicContact CB-CE2 4.04Å; L492-Y494 HydrophobicContact CD1-CE2 4.44Å
493	V	88.7	Confident	80.9	Confident	29 Å²	29	46.8 Å²	46.8	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.1	156.7	-177.3	0	0	0	0	107.4	T426 S427 E486 I487 T488 Y495	T426-V493 CarbonylContact C-O 3.59Å; T426-V493 VanDerWaalsContact CA-O 3.23Å; T426-V493 WeakPolarHBondContact CA-O 3.42Å; T426-V493 WeakPolarHBondContact CB-O 2.93Å; S427-V493 PolarHBondContact N-O 3.38Å; S427-V493 PolarHBondContact OG-N 3.19Å; S427-V493 VanDerWaalsContact OG-N 3.09Å; E486-V493 HydrophobicContact CB-CG1 4.11Å; E486-V493 HydrophobicContact CG-CG1 4.46Å; I487-V493 WeakPolarHBondContact O-CA 3.39Å; T488-V493 HydrophobicContact CG2-CG2 4.43Å; V493-Y495 HydrophobicContact CB-CE2 4.32Å; V493-Y495 HydrophobicContact CG1-CD1 4.28Å; V493-Y495 HydrophobicContact CG1-CE1 3.81Å; V493-Y495 HydrophobicContact CG1-CE2 4.28Å
494	Y	90.9	Very high	78.9	Confident	6 Å²	6	55.7 Å²	55.7	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.4	168.7	-61.3	-102.4	0	0	0	108.6	Y425 T426 R457 I459 E486 I487 T489 L492	Y425-Y494 WeakPolarHBondContact O-CA 3.42Å; T426-Y494 HydrophobicContact CG2-CD1 3.52Å; T426-Y494 HydrophobicContact CG2-CE1 3.73Å; T426-Y494 HydrophobicContact CG2-CG 4.21Å; R457-Y494 VanDerWaalsContact CD-OH 3.26Å; R457-Y494 WeakPolarHBondContact CD-OH 3.48Å; R457-Y494 VanDerWaalsContact CZ-OH 3.27Å; R457-Y494 PolarHBondContact NE-OH 3.31Å; R457-Y494 PolarHBondContact NH1-OH 3.02Å; R457-Y494 VanDerWaalsContact NH1-OH 3.1Å; I459-Y494 HydrophobicContact CD1-CD1 3.98Å; I459-Y494 HydrophobicContact CD1-CD2 4.22Å; I459-Y494 HydrophobicContact CD1-CE1 3.62Å; I459-Y494 HydrophobicContact CD1-CE2 3.87Å; I459-Y494 HydrophobicContact CD1-CG 4.28Å; I459-Y494 HydrophobicContact CG1-CE1 4.38Å; I459-Y494 HydrophobicContact CG1-CE2 4.43Å; E486-Y494 WeakPolarHBondContact CA-O 3.41Å; I487-Y494 PolarHBondContact N-O 3.28Å; I487-Y494 PolarHBondContact O-N 3.22Å; T489-Y494 HydrophobicContact CG2-CD2 4.39Å; T489-Y494 HydrophobicContact CG2-CE2 3.98Å; L492-Y494 HydrophobicContact CB-CD2 4.49Å; L492-Y494 HydrophobicContact CB-CE2 4.04Å; L492-Y494 HydrophobicContact CD1-CE2 4.44Å
495	Y	90.2	Very high	76.7	Confident	6 Å²	6	60.8 Å²	60.8	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.9	175.8	-56.4	-79.4	0	0	0	107.8	H424 Y425 L475 H483 E486 V493	H424-Y495 CarbonylContact C-O 3.09Å; H424-Y495 VanDerWaalsContact CA-O 3.23Å; H424-Y495 WeakPolarHBondContact CA-O 3.36Å; Y425-Y495 AromaticContact CD2-CD2 3.55Å; Y425-Y495 HydrophobicContact CD2-CD2 3.55Å; Y425-Y495 HydrophobicContact CD2-CE2 4.46Å; Y425-Y495 HydrophobicContact CD2-CG 4.07Å; Y425-Y495 VanDerWaalsContact CE1-CB 3.48Å; Y425-Y495 HydrophobicContact CE1-CG 4.34Å; Y425-Y495 HydrophobicContact CE2-CD1 4.49Å; Y425-Y495 AromaticContact CE2-CD2 3.34Å; Y425-Y495 HydrophobicContact CE2-CD2 3.34Å; Y425-Y495 HydrophobicContact CE2-CE2 4.15Å; Y425-Y495 AromaticContact CE2-CG 3.55Å; Y425-Y495 HydrophobicContact CE2-CG 3.55Å; Y425-Y495 HydrophobicContact CG-CD2 4.36Å; Y425-Y495 AromaticContact CZ-CG 3.71Å; Y425-Y495 PolarHBondContact N-O 3.09Å; Y425-Y495 PolarHBondContact O-N 3.03Å; L475-Y495 HydrophobicContact CD1-CE2 3.96Å; H483-Y495 AromaticContact CD2-CD1 3.82Å; H483-Y495 AromaticContact CE1-CD1 3.83Å; H483-Y495 AromaticContact NE2-CD1 3.56Å; E486-Y495 HydrophobicContact CG-CD1 3.76Å; E486-Y495 HydrophobicContact CG-CE1 4.09Å; E486-Y495 VanDerWaalsContact OE2-CE1 3.32Å; E486-Y495 WeakPolarHBondContact OE2-CE1 3.5Å; V493-Y495 HydrophobicContact CB-CE2 4.32Å; V493-Y495 HydrophobicContact CG1-CD1 4.28Å; V493-Y495 HydrophobicContact CG1-CE1 3.81Å; V493-Y495 HydrophobicContact CG1-CE2 4.28Å
496	V	89.6	Confident	74	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.8	-160.3	-170.7	0	0	0	0	112.7	M422 H424 W437 C484 F485 I487	M422-V496 HydrophobicContact CE-CG1 3.57Å; H424-V496 HydrophobicContact CB-CG2 4.39Å; W437-V496 HydrophobicContact CH2-CB 4.45Å; W437-V496 HydrophobicContact CH2-CG1 3.68Å; W437-V496 HydrophobicContact CH2-CG2 3.81Å; W437-V496 HydrophobicContact CZ2-CG1 4.17Å; W437-V496 HydrophobicContact CZ2-CG2 4.45Å; W437-V496 HydrophobicContact CZ3-CG1 4.13Å; C484-V496 PolarHBondContact N-O 2.83Å; F485-V496 HydrophobicContact CD1-CB 4.36Å; F485-V496 HydrophobicContact CD2-CB 4.04Å; F485-V496 HydrophobicContact CD2-CG2 4.45Å; F485-V496 HydrophobicContact CE1-CB 4.04Å; F485-V496 HydrophobicContact CE1-CG1 3.77Å; F485-V496 HydrophobicContact CE2-CB 3.72Å; F485-V496 HydrophobicContact CE2-CG1 3.83Å; F485-V496 HydrophobicContact CE2-CG2 4.07Å; F485-V496 HydrophobicContact CG-CB 4.37Å; F485-V496 HydrophobicContact CZ-CB 3.72Å; F485-V496 HydrophobicContact CZ-CG1 3.36Å; F485-V496 HydrophobicContact CZ-CG2 4.44Å; F485-V496 PolarHBondContact N-O 2.92Å; F485-V496 PolarHBondContact O-N 2.87Å; I487-V496 HydrophobicContact CD1-CG2 4.04Å; I487-V496 HydrophobicContact CG1-CG2 4.05Å
497	G	86.1	Confident	71.6	Confident	5 Å²	5	73.9 Å²	73.9	5%	0.052	41%	0.412	C	S	.	.			trans	78.8	173.5	-175.5	0	0	0	0	0	113.1	V423 H483	V423-G497 PolarHBondContact O-N 3.31Å; H483-G497 WeakPolarHBondContact CA-O 3.29Å
498	E	82.6	Confident	69	Low	34 Å²	34	78.7 Å²	78.7	16%	0.159	44%	0.441	C	S	.	.			trans	-137.3	134.6	170	-59.8	-173.2	128.3	0	0	109.5	V423 R432 N481 P482 V517 G518	V423-E498 HydrophobicContact CB-CG 4.15Å; V423-E498 HydrophobicContact CG1-CG 3.95Å; R432-E498 VanDerWaalsContact CD-OE1 3.24Å; R432-E498 WeakPolarHBondContact CD-OE1 3.32Å; R432-E498 IonicContact CZ-OE1 3.62Å; R432-E498 IonicContact NE-OE1 3.83Å; R432-E498 IonicContact NH1-OE1 2.7Å; R432-E498 PolarHBondContact NH1-OE1 2.98Å; N481-E498 HydrophobicContact CB-CB 4.28Å; P482-E498 WeakPolarHBondContact O-CA 3.42Å; E498-V517 HydrophobicContact CB-CG1 4.22Å; E498-G518 PolarHBondContact O-N 3.23Å
499	N	76.1	Confident	66.6	Low	31 Å²	31	80.8 Å²	80.8	17%	0.166	47%	0.47	C	S	.	.			trans	-101.3	109.1	179.3	-173.4	10.1	0	0	0	110.5	P482 L501	P482-N499 HydrophobicContact CG-CB 4.23Å; P482-N499 PolarHBondContact O-N 3.14Å; N499-L501 PolarHBondContact O-N 2.99Å; N499-L501 VanDerWaalsContact O-N 3.1Å
500	L	72.6	Confident	64.1	Low	103 Å²	103	85.3 Å²	85.3	54%	0.539	50%	0.502	S	S	.	.			trans	-82.6	81.8	-174.5	-67.4	170.4	0	0	0	111.4	R502 V517	L500-R502 PolarHBondContact O-N 3.42Å; L500-R502 VanDerWaalsContact O-N 3.08Å; L500-V517 HydrophobicContact CD1-CG1 3.96Å; L500-V517 HydrophobicContact CG-CG1 4.27Å
501	L	58.1	Low	62	Low	122 Å²	122	85.8 Å²	85.8	64%	0.639	50%	0.501	S	S	*	.			trans	-79.8	26.6	-175.4	-73.1	168	0	0	0	115.3	P482 N499	P482-L501 HydrophobicContact CG-CD1 3.83Å; N499-L501 PolarHBondContact O-N 2.99Å; N499-L501 VanDerWaalsContact O-N 3.1Å
502	R	46.7	Very low	60.2	Low	245 Å²	245	85 Å²	85	93%	0.925	50%	0.498	S	S	*	.			trans	-146.9	125.2	176.1	-88.2	-170.4	166.7	-168.1	-3.8	112.7	L500	L500-R502 PolarHBondContact O-N 3.42Å; L500-R502 VanDerWaalsContact O-N 3.08Å
503	G	39.9	Very low	57.9	Low	79 Å²	79	91.1 Å²	91.1	81%	0.814	53%	0.53	S	S	*	.			trans	135.3	84	164.1	0	0	0	0	0	114.6
504	E	45.1	Very low	55.7	Low	190 Å²	190	95.3 Å²	95.3	89%	0.888	56%	0.556	S	S	*	*			trans	-68.1	157.7	155	-66.3	-177.1	123.5	0	0	110.2
505	S	40	Very low	54	Low	126 Å²	126	97.7 Å²	97.7	88%	0.881	57%	0.573	S	S	*	*			trans	69.9	76.4	174.9	65.8	0	0	0	0	118.6
506	S	33.8	Very low	52.4	Low	93 Å²	93	97.8 Å²	97.8	65%	0.65	58%	0.576	S	S	*	*			trans	-156.6	118.3	130.7	-175	0	0	0	0	112.4	T508	S506-T508 PolarHBondContact O-N 2.8Å; S506-T508 PolarHBondContact OG-OG1 3.25Å
507	M	40.8	Very low	51	Low	198 Å²	198	98.9 Å²	98.9	98%	0.975	58%	0.583	S	S	*	*			trans	-89.6	78.3	175.3	-77.4	-69.1	173.1	0	0	111.2
508	T	37	Very low	50.2	Low	100 Å²	100	99.3 Å²	99.3	61%	0.613	59%	0.587	S	S	*	*			trans	-135.4	74.2	174.8	44.7	0	0	0	0	111.7	S506 S510	S506-T508 PolarHBondContact O-N 2.8Å; S506-T508 PolarHBondContact OG-OG1 3.25Å; T508-S510 VanDerWaalsContact C-N 3.27Å; T508-S510 PolarHBondContact O-N 3.18Å
509	G	39.4	Very low	49.8	Very low	83 Å²	83	101.6 Å²	101.6	86%	0.856	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	45.3	-167.5	0	0	0	0	0	118.2
510	S	35.8	Very low	49.8	Very low	104 Å²	104	104.9 Å²	104.9	73%	0.727	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	-14.7	174.4	-63.4	0	0	0	0	116.1	T508	T508-S510 VanDerWaalsContact C-N 3.27Å; T508-S510 PolarHBondContact O-N 3.18Å
511	S	35.7	Very low	50.3	Low	92 Å²	92	100.9 Å²	100.9	64%	0.643	60%	0.595	S	S	*	*	S	Bend	trans	-83	-35.8	-172.9	-173.4	0	0	0	0	114.3	L513 V514	S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 3.44Å; S511-V514 PolarHBondContact O-N 2.84Å
512	I	45.9	Very low	51.6	Low	125 Å²	125	95.1 Å²	95.1	64%	0.641	57%	0.565	S	S	*	*	H	α-helix	trans	-61	-35.3	-167.6	-64.7	172.9	0	0	0	112.8	V514 S515	I512-V514 PolarHBondContact O-N 3.06Å; I512-V514 VanDerWaalsContact O-N 3.13Å; I512-S515 PolarHBondContact O-N 2.69Å
513	L	41.9	Very low	53.2	Low	142 Å²	142	88.3 Å²	88.3	74%	0.743	54%	0.54	S	S	*	.	H	α-helix	trans	-67	-14	-174.3	-64.4	174.8	0	0	0	114.8	S511	S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 3.44Å
514	V	42.6	Very low	55.3	Low	118 Å²	118	89 Å²	89	72%	0.715	52%	0.523	S	S	*	.	H	α-helix	trans	-99.5	-17.5	-176.8	-172.4	0	0	0	0	112.6	S511 I512	S511-V514 PolarHBondContact O-N 2.84Å; I512-V514 PolarHBondContact O-N 3.06Å; I512-V514 VanDerWaalsContact O-N 3.13Å
515	S	54.3	Low	57.4	Low	56 Å²	56	80.1 Å²	80.1	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-74.1	-34.3	-168.2	-170.9	0	0	0	0	114.7	R434 I512	R434-S515 PolarHBondContact NE-O 2.77Å; R434-S515 PolarHBondContact NH2-O 3.29Å; I512-S515 PolarHBondContact O-N 2.69Å
516	G	56.2	Low	59.7	Low	8 Å²	8	75.7 Å²	75.7	8%	0.082	45%	0.446	C	S	.	.	S	Bend	trans	76.6	23.8	-170.4	0	0	0	0	0	113.8	W421	W421-G516 WeakPolarHBondContact O-CA 3.5Å
517	V	61.4	Low	62	Low	23 Å²	23	76.1 Å²	76.1	14%	0.139	44%	0.439	C	S	.	.			trans	-139.5	147	-173.4	-176.5	0	0	0	0	108.7	V423 E498 L500	V423-V517 HydrophobicContact CG2-CG2 4.2Å; E498-V517 HydrophobicContact CB-CG1 4.22Å; L500-V517 HydrophobicContact CD1-CG1 3.96Å; L500-V517 HydrophobicContact CG-CG1 4.27Å
518	G	68.1	Low	64.1	Low	14 Å²	14	67.7 Å²	67.7	14%	0.144	40%	0.402	C	S	.	.	S	Bend	trans	111	155.8	-178.3	0	0	0	0	0	113.6	E498 D520 V521 A522	E498-G518 PolarHBondContact O-N 3.23Å; G518-D520 PolarHBondContact O-N 3.27Å; G518-V521 PolarHBondContact O-N 3.22Å; G518-A522 PolarHBondContact O-N 2.84Å; G518-A522 VanDerWaalsContact O-N 3.13Å
519	Q	74.9	Confident	66.4	Low	82 Å²	82	63 Å²	63	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-35.1	-168.4	-153.6	-174.7	28.9	0	0	113.2	A522 R523	Q519-A522 PolarHBondContact O-N 3.1Å; Q519-R523 WeakPolarHBondContact O-CG 3.07Å; Q519-R523 PolarHBondContact O-N 3.12Å
520	D	76.6	Confident	68.4	Low	99 Å²	99	63 Å²	63	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-69.3	-36	177	-61	-62	0	0	0	113.2	G518 A522 R523 M524	G518-D520 PolarHBondContact O-N 3.27Å; D520-A522 VanDerWaalsContact C-N 3.32Å; D520-R523 PolarHBondContact O-N 2.87Å; D520-R523 IonicContact OD1-CZ 3.77Å; D520-R523 IonicContact OD1-NE 2.8Å; D520-R523 PolarHBondContact OD1-NE 3.17Å; D520-R523 IonicContact OD1-NH2 2.61Å; D520-R523 PolarHBondContact OD1-NH2 3.01Å; D520-R523 IonicContact OD2-NH2 3.75Å; D520-M524 WeakPolarHBondContact O-CB 3.47Å; D520-M524 WeakPolarHBondContact O-CG 3.22Å; D520-M524 PolarHBondContact O-N 3.06Å
521	V	82.9	Confident	70.3	Confident	19 Å²	19	63.1 Å²	63.1	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-42.8	173.4	-179.5	0	0	0	0	109.8	M422 G518 M524 W525	M422-V521 HydrophobicContact SD-CG1 4.02Å; G518-V521 PolarHBondContact O-N 3.22Å; V521-M524 HydrophobicContact CG2-CE 4.46Å; V521-M524 PolarHBondContact O-N 2.61Å; V521-W525 VanDerWaalsContact O-CD1 3.3Å; V521-W525 PolarHBondContact O-N 3.38Å; V521-W525 VanDerWaalsContact O-N 3.12Å
522	A	83.8	Confident	72.2	Confident	2 Å²	2	59 Å²	59	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-48.4	175.6	0	0	0	0	0	112.3	C484 F485 G518 Q519 D520 M524 W525 E526	C484-A522 HydrophobicContact CB-CB 3.32Å; C484-A522 VanDerWaalsContact SG-CB 3.56Å; F485-A522 HydrophobicContact CD1-CB 4.1Å; F485-A522 HydrophobicContact CE1-CB 4.05Å; F485-A522 WeakPolarHBondContact CE1-O 3.47Å; G518-A522 PolarHBondContact O-N 2.84Å; G518-A522 VanDerWaalsContact O-N 3.13Å; Q519-A522 PolarHBondContact O-N 3.1Å; D520-A522 VanDerWaalsContact C-N 3.32Å; A522-M524 VanDerWaalsContact C-N 3.31Å; A522-M524 PolarHBondContact O-N 2.73Å; A522-W525 WeakPolarHBondContact O-CA 3.33Å; A522-W525 WeakPolarHBondContact O-CB 3.42Å; A522-W525 PolarHBondContact O-N 3.19Å; A522-E526 WeakPolarHBondContact O-CB 3.48Å; A522-E526 PolarHBondContact O-N 3.26Å
523	R	82.1	Confident	73.5	Confident	101 Å²	101	53.9 Å²	53.9	38%	0.381	29%	0.285	S	S	.	.	H	α-helix	trans	-55.7	-43.4	173.5	-77.1	-171.9	-80	-104.4	1.3	112.1	Q519 D520 W525 E526 M527	Q519-R523 WeakPolarHBondContact O-CG 3.07Å; Q519-R523 PolarHBondContact O-N 3.12Å; D520-R523 PolarHBondContact O-N 2.87Å; D520-R523 IonicContact OD1-CZ 3.77Å; D520-R523 IonicContact OD1-NE 2.8Å; D520-R523 PolarHBondContact OD1-NE 3.17Å; D520-R523 IonicContact OD1-NH2 2.61Å; D520-R523 PolarHBondContact OD1-NH2 3.01Å; D520-R523 IonicContact OD2-NH2 3.75Å; R523-W525 PolarHBondContact O-N 2.82Å; R523-E526 PolarHBondContact O-N 3.04Å; R523-M527 WeakPolarHBondContact O-CB 3.39Å; R523-M527 WeakPolarHBondContact O-CG 3.45Å; R523-M527 PolarHBondContact O-N 3.36Å
524	M	84	Confident	74.6	Confident	93 Å²	93	49.5 Å²	49.5	46%	0.458	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-17.1	176	-78	-168.9	-72.2	0	0	114.3	K418 D520 V521 A522 A528	K418-M524 WeakPolarHBondContact CD-O 3.12Å; K418-M524 WeakPolarHBondContact CE-O 3.4Å; K418-M524 PolarHBondContact NZ-O 3.25Å; K418-M524 VanDerWaalsContact NZ-O 3.12Å; D520-M524 WeakPolarHBondContact O-CB 3.47Å; D520-M524 WeakPolarHBondContact O-CG 3.22Å; D520-M524 PolarHBondContact O-N 3.06Å; V521-M524 HydrophobicContact CG2-CE 4.46Å; V521-M524 PolarHBondContact O-N 2.61Å; A522-M524 VanDerWaalsContact C-N 3.31Å; A522-M524 PolarHBondContact O-N 2.73Å; M524-A528 WeakPolarHBondContact O-CB 3.48Å
525	W	89.2	Confident	74.8	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-90.8	-44.7	172	-90.6	102.3	0	0	0	111.7	K418 M422 W437 L439 F485 V521 A522 R523 A528 I529	K418-W525 HydrophobicContact CB-CH2 4.25Å; K418-W525 HydrophobicContact CB-CZ3 4.23Å; K418-W525 HydrophobicContact CD-CD2 3.62Å; K418-W525 HydrophobicContact CD-CE3 3.77Å; K418-W525 HydrophobicContact CD-CG 4.09Å; K418-W525 HydrophobicContact CD-CH2 4.29Å; K418-W525 HydrophobicContact CD-CZ2 4.18Å; K418-W525 HydrophobicContact CD-CZ3 4.1Å; K418-W525 HydrophobicContact CG-CD2 4.36Å; K418-W525 HydrophobicContact CG-CE3 4.37Å; K418-W525 HydrophobicContact CG-CH2 4.01Å; K418-W525 HydrophobicContact CG-CZ2 4.01Å; K418-W525 HydrophobicContact CG-CZ3 4.2Å; M422-W525 HydrophobicContact CE-CB 4.24Å; M422-W525 HydrophobicContact CE-CG 4.21Å; M422-W525 HydrophobicContact CG-CD2 4.09Å; M422-W525 HydrophobicContact CG-CG 4.05Å; M422-W525 HydrophobicContact CG-CZ2 4.36Å; M422-W525 HydrophobicContact SD-CG 3.89Å; W437-W525 HydrophobicContact CB-CH2 3.48Å; W437-W525 VanDerWaalsContact CB-CH2 3.48Å; W437-W525 HydrophobicContact CB-CZ2 3.83Å; W437-W525 HydrophobicContact CB-CZ3 4.01Å; W437-W525 HydrophobicContact CE3-CE3 4.24Å; W437-W525 HydrophobicContact CE3-CZ3 4.27Å; L439-W525 HydrophobicContact CB-CZ3 3.93Å; F485-W525 HydrophobicContact CE1-CB 4.33Å; F485-W525 HydrophobicContact CZ-CB 4.22Å; V521-W525 VanDerWaalsContact O-CD1 3.3Å; V521-W525 PolarHBondContact O-N 3.38Å; V521-W525 VanDerWaalsContact O-N 3.12Å; A522-W525 WeakPolarHBondContact O-CA 3.33Å; A522-W525 WeakPolarHBondContact O-CB 3.42Å; A522-W525 PolarHBondContact O-N 3.19Å; R523-W525 PolarHBondContact O-N 2.82Å; W525-A528 PolarHBondContact O-N 3.5Å; W525-A528 VanDerWaalsContact O-N 3.17Å; W525-I529 HydrophobicContact CE3-CD1 4.32Å; W525-I529 HydrophobicContact CE3-CG1 4.43Å; W525-I529 WeakPolarHBondContact O-CB 3.49Å; W525-I529 WeakPolarHBondContact O-CD1 3.28Å; W525-I529 VanDerWaalsContact O-CG1 3.23Å; W525-I529 WeakPolarHBondContact O-CG1 3.42Å; W525-I529 PolarHBondContact O-N 3.17Å
526	E	86.6	Confident	74.2	Confident	32 Å²	32	44.8 Å²	44.8	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-51	-56.6	171.4	-179.8	-179.2	-147.4	0	0	111	L467 F485 A522 R523 A528 I529 Q530	L467-E526 HydrophobicContact CD2-CG 4.27Å; L467-E526 WeakPolarHBondContact CD2-O 3.36Å; F485-E526 HydrophobicContact CD1-CB 4.05Å; F485-E526 HydrophobicContact CE1-CB 4.19Å; F485-E526 HydrophobicContact CG-CB 4.28Å; F485-E526 HydrophobicContact CG-CG 4.49Å; A522-E526 WeakPolarHBondContact O-CB 3.48Å; A522-E526 PolarHBondContact O-N 3.26Å; R523-E526 PolarHBondContact O-N 3.04Å; E526-A528 VanDerWaalsContact C-N 3.29Å; E526-A528 PolarHBondContact O-N 3.27Å; E526-I529 PolarHBondContact O-N 2.93Å; E526-Q530 WeakPolarHBondContact O-CB 3.4Å; E526-Q530 PolarHBondContact O-N 3.24Å
527	M	82.1	Confident	73.5	Confident	102 Å²	102	46 Å²	46	50%	0.502	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-36.7	176.9	-66	-69.2	99.4	0	0	113.1	R523 H531	R523-M527 WeakPolarHBondContact O-CB 3.39Å; R523-M527 WeakPolarHBondContact O-CG 3.45Å; R523-M527 PolarHBondContact O-N 3.36Å; M527-H531 WeakPolarHBondContact O-CB 3.48Å; M527-H531 PolarHBondContact O-N 3.41Å
528	A	85.1	Confident	72.3	Confident	22 Å²	22	47.9 Å²	47.9	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-73.5	-38.6	179.6	0	0	0	0	0	112.4	K418 L439 M524 W525 E526 H531 A532	K418-A528 HydrophobicContact CB-CB 4.33Å; K418-A528 HydrophobicContact CD-CB 3.53Å; L439-A528 HydrophobicContact CD2-CB 4.14Å; L439-A528 WeakPolarHBondContact CD2-O 3.43Å; M524-A528 WeakPolarHBondContact O-CB 3.48Å; W525-A528 PolarHBondContact O-N 3.5Å; W525-A528 VanDerWaalsContact O-N 3.17Å; E526-A528 VanDerWaalsContact C-N 3.29Å; E526-A528 PolarHBondContact O-N 3.27Å; A528-H531 PolarHBondContact O-N 2.83Å; A528-A532 PolarHBondContact O-N 3.29Å
529	I	86.6	Confident	70.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-43.2	173.5	-65.3	162.9	0	0	0	109.1	W437 L439 I444 I464 L467 F485 I487 W525 E526 H531 A532 L533	W437-I529 HydrophobicContact CZ3-CD1 4.15Å; L439-I529 HydrophobicContact CD2-CG1 4.16Å; I444-I529 HydrophobicContact CD1-CD1 3.76Å; I444-I529 HydrophobicContact CD1-CG1 3.9Å; I444-I529 HydrophobicContact CD1-CG2 4.22Å; I464-I529 HydrophobicContact CD1-CG2 4.24Å; L467-I529 HydrophobicContact CD1-CG2 4.37Å; L467-I529 HydrophobicContact CD2-CB 4.19Å; L467-I529 HydrophobicContact CD2-CG2 4.04Å; F485-I529 HydrophobicContact CE2-CD1 4.16Å; F485-I529 HydrophobicContact CZ-CD1 4.18Å; I487-I529 HydrophobicContact CD1-CD1 4.24Å; W525-I529 HydrophobicContact CE3-CD1 4.32Å; W525-I529 HydrophobicContact CE3-CG1 4.43Å; W525-I529 WeakPolarHBondContact O-CB 3.49Å; W525-I529 WeakPolarHBondContact O-CD1 3.28Å; W525-I529 VanDerWaalsContact O-CG1 3.23Å; W525-I529 WeakPolarHBondContact O-CG1 3.42Å; W525-I529 PolarHBondContact O-N 3.17Å; E526-I529 PolarHBondContact O-N 2.93Å; I529-H531 PolarHBondContact O-N 2.9Å; I529-A532 WeakPolarHBondContact O-CB 3.36Å; I529-A532 PolarHBondContact O-N 2.7Å; I529-L533 HydrophobicContact CG2-CD1 3.85Å; I529-L533 HydrophobicContact CG2-CG 4.28Å; I529-L533 VanDerWaalsContact O-CG 3.28Å; I529-L533 WeakPolarHBondContact O-CG 3.41Å; I529-L533 PolarHBondContact O-N 2.73Å
530	Q	81.5	Confident	68.5	Low	83 Å²	83	52.1 Å²	52.1	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-44.6	174.4	-167	176.2	11	0	0	111.8	L467 E526 A532 L533 M534	L467-Q530 HydrophobicContact CD2-CB 3.99Å; E526-Q530 WeakPolarHBondContact O-CB 3.4Å; E526-Q530 PolarHBondContact O-N 3.24Å; Q530-A532 VanDerWaalsContact C-N 3.26Å; Q530-A532 PolarHBondContact O-N 2.8Å; Q530-L533 PolarHBondContact O-N 3.45Å; Q530-M534 HydrophobicContact CG-SD 4.09Å; Q530-M534 WeakPolarHBondContact O-CB 3.27Å; Q530-M534 PolarHBondContact O-N 3.41Å
531	H	75.8	Confident	66.2	Low	107 Å²	107	53.5 Å²	53.5	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-69.8	-16.7	174.6	-175.9	-76.7	0	0	0	114	M527 A528 I529 M534	M527-H531 WeakPolarHBondContact O-CB 3.48Å; M527-H531 PolarHBondContact O-N 3.41Å; A528-H531 PolarHBondContact O-N 2.83Å; I529-H531 PolarHBondContact O-N 2.9Å; H531-M534 VanDerWaalsContact O-O 3.05Å
532	A	75.5	Confident	63.4	Low	7 Å²	7	57.9 Å²	57.9	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-86.5	-34.5	170.1	0	0	0	0	0	112.2	M417 L439 L461 A528 I529 Q530	M417-A532 HydrophobicContact CE-CB 3.73Å; M417-A532 HydrophobicContact SD-CB 3.92Å; L439-A532 HydrophobicContact CD1-CB 3.82Å; L439-A532 HydrophobicContact CD2-CB 4.04Å; L439-A532 HydrophobicContact CG-CB 4.23Å; L461-A532 HydrophobicContact CD1-CB 3.71Å; A528-A532 PolarHBondContact O-N 3.29Å; I529-A532 WeakPolarHBondContact O-CB 3.36Å; I529-A532 PolarHBondContact O-N 2.7Å; Q530-A532 VanDerWaalsContact C-N 3.26Å; Q530-A532 PolarHBondContact O-N 2.8Å
533	L	72.3	Confident	60.8	Low	16 Å²	16	64.9 Å²	64.9	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-70.6	-38.4	173.6	-68.2	168	0	0	0	112	L461 I464 L467 I529 Q530 P535 Q575	L461-L533 HydrophobicContact CB-CD2 4.07Å; L461-L533 HydrophobicContact CD2-CD2 4.23Å; L461-L533 WeakPolarHBondContact O-CD2 3.46Å; I464-L533 HydrophobicContact CB-CD2 3.99Å; I464-L533 HydrophobicContact CD1-CD2 4.28Å; I464-L533 HydrophobicContact CG2-CD1 4.01Å; I464-L533 HydrophobicContact CG2-CD2 4.27Å; L467-L533 HydrophobicContact CB-CD1 4.31Å; L467-L533 HydrophobicContact CD2-CD1 4.38Å; I529-L533 HydrophobicContact CG2-CD1 3.85Å; I529-L533 HydrophobicContact CG2-CG 4.28Å; I529-L533 VanDerWaalsContact O-CG 3.28Å; I529-L533 WeakPolarHBondContact O-CG 3.41Å; I529-L533 PolarHBondContact O-N 2.73Å; Q530-L533 PolarHBondContact O-N 3.45Å; L533-P535 VanDerWaalsContact C-CD 3.45Å; L533-P535 WeakPolarHBondContact O-CD 3.38Å; L533-Q575 PolarHBondContact O-NE2 2.97Å; L533-Q575 VanDerWaalsContact O-NE2 3.14Å; L533-Q575 PolarHBondContact O-OE1 3.09Å
534	M	64.7	Low	58.5	Low	50 Å²	50	68.4 Å²	68.4	25%	0.246	39%	0.392	C	S	.	.	S	Bend	trans	-99.7	81	171.7	-59.7	179.5	78	0	0	109.3	Q530 H531 N571	Q530-M534 HydrophobicContact CG-SD 4.09Å; Q530-M534 WeakPolarHBondContact O-CB 3.27Å; Q530-M534 PolarHBondContact O-N 3.41Å; H531-M534 VanDerWaalsContact O-O 3.05Å; M534-N571 HydrophobicContact CG-CB 4.36Å
535	P	48.1	Very low	55.9	Low	8 Å²	8	68.5 Å²	68.5	5%	0.052	40%	0.402	C	S	.	.			trans	-55.2	146.4	-179	20.3	-32.1	0	0	0	112.2	L533 V537 I576 P578	L533-P535 VanDerWaalsContact C-CD 3.45Å; L533-P535 WeakPolarHBondContact O-CD 3.38Å; P535-V537 HydrophobicContact CB-CG2 4.47Å; P535-V537 HydrophobicContact CG-CG2 4.43Å; P535-V537 PolarHBondContact O-N 3.49Å; P535-I576 HydrophobicContact CG-CB 4.03Å; P535-I576 HydrophobicContact CG-CG2 4.48Å; P535-P578 HydrophobicContact CB-CG 3.22Å; P535-P578 HydrophobicContact CG-CG 4.07Å
536	A	41.3	Very low	53.1	Low	68 Å²	68	77.3 Å²	77.3	56%	0.562	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	36.9	-170.9	0	0	0	0	0	116.1	S538	A536-S538 VanDerWaalsContact C-N 3.26Å
537	V	41.3	Very low	50.9	Low	32 Å²	32	87.8 Å²	87.8	19%	0.194	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.2	154.8	-132.3	0	0	0	0	110.1	P535 T539 I606 R647	P535-V537 HydrophobicContact CB-CG2 4.47Å; P535-V537 HydrophobicContact CG-CG2 4.43Å; P535-V537 PolarHBondContact O-N 3.49Å; V537-T539 VanDerWaalsContact C-N 3.26Å; V537-T539 PolarHBondContact O-N 2.84Å; V537-I606 HydrophobicContact CG2-CD1 4.47Å; V537-R647 VanDerWaalsContact C-NH1 3.35Å; V537-R647 PolarHBondContact O-NH1 3.48Å; V537-R647 PolarHBondContact O-NH2 2.86Å
538	S	36.2	Very low	48.3	Very low	64 Å²	64	88.5 Å²	88.5	45%	0.448	50%	0.496	S	S	.	.			trans	-76.4	65.5	-178.3	-59.3	0	0	0	0	113.5	A536 G540	A536-S538 VanDerWaalsContact C-N 3.26Å; S538-G540 PolarHBondContact O-N 3.33Å
539	T	31.6	Very low	45.9	Very low	129 Å²	129	91 Å²	91	79%	0.791	52%	0.524	S	S	*	.			trans	-75.2	68.9	162.3	55.8	0	0	0	0	109.9	V537	V537-T539 VanDerWaalsContact C-N 3.26Å; V537-T539 PolarHBondContact O-N 2.84Å
540	G	31.5	Very low	43.2	Very low	56 Å²	56	99.6 Å²	99.6	58%	0.577	56%	0.564	S	S	*	*	S	Bend	trans	-174.7	117.8	-179.8	0	0	0	0	0	108.5	S538	S538-G540 PolarHBondContact O-N 3.33Å
541	I	28.6	Very low	40.9	Very low	128 Å²	128	105.4 Å²	105.4	66%	0.656	59%	0.588	S	S	*	*			trans	-81	123	-172	-62.5	173.3	0	0	0	109.4	H543	I541-H543 PolarHBondContact O-N 2.91Å; I541-H543 VanDerWaalsContact O-N 3.15Å
542	C	23.3	Very low	38.7	Very low	110 Å²	110	109 Å²	109	74%	0.743	61%	0.605	S	S	*	*			trans	-77.9	94.9	170.9	46.7	0	0	0	0	110.2	N544	C542-N544 PolarHBondContact O-N 2.75Å
543	H	29.2	Very low	36.4	Very low	149 Å²	149	115.9 Å²	115.9	69%	0.69	64%	0.639	S	S	*	*			trans	-79.2	109.9	174	-95.2	-61.9	0	0	0	111.9	I541 S545	I541-H543 PolarHBondContact O-N 2.91Å; I541-H543 VanDerWaalsContact O-N 3.15Å; H543-S545 PolarHBondContact O-N 2.87Å
544	N	34.6	Very low	34.3	Very low	175 Å²	175	119.9 Å²	119.9	94%	0.936	67%	0.668	S	S	*	*			trans	-71.4	91.4	165	-125.8	-7.2	0	0	0	108.9	C542	C542-N544 PolarHBondContact O-N 2.75Å
545	S	29.8	Very low	32.6	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	69%	0.688	S	S	*	*			trans	-133.5	146.5	-177	-80.1	0	0	0	0	112.3	H543	H543-S545 PolarHBondContact O-N 2.87Å
546	H	30.4	Very low	31.8	Very low	191 Å²	191	126.8 Å²	126.8	88%	0.884	71%	0.71	S	S	*	*			trans	-67.9	155.2	-167	-81.9	-110.1	0	0	0	115.6	S548	H546-S548 PolarHBondContact O-N 3.47Å
547	R	39.1	Very low	31.7	Very low	252 Å²	252	124.5 Å²	124.5	95%	0.951	69%	0.688	S	S	*	*			trans	-35.5	118.9	169.2	-62.1	176	176.2	-172.2	-2.1	114.1
548	S	29	Very low	31.2	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	72%	0.717	S	S	*	*			trans	-146.6	148.1	142.4	-166.6	0	0	0	0	109.6	H546 H550	H546-S548 PolarHBondContact O-N 3.47Å; S548-H550 PolarHBondContact O-N 2.8Å
549	G	33.3	Very low	31.3	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	71%	0.713	S	S	*	*			trans	-90.4	102.5	-163.2	0	0	0	0	0	114.6
550	H	29.5	Very low	31.6	Very low	180 Å²	180	126.7 Å²	126.7	83%	0.833	71%	0.708	S	S	*	*			trans	-115.9	138.4	155.8	-79.6	-100.2	0	0	0	109.7	S548 E552	S548-H550 PolarHBondContact O-N 2.8Å; H550-E552 PolarHBondContact O-N 3.49Å
551	K	33.6	Very low	32	Very low	206 Å²	206	131.2 Å²	131.2	90%	0.896	72%	0.719	S	S	*	*			trans	-79.9	96.6	177.8	-73.1	-177	176.6	-179.6	0	109.8
552	E	29.5	Very low	32.8	Very low	182 Å²	182	126.4 Å²	126.4	85%	0.85	70%	0.696	S	S	*	*			trans	-65.2	139.1	158.5	-69.8	-165.8	121.3	0	0	109.9	H550 S554	H550-E552 PolarHBondContact O-N 3.49Å; E552-S554 PolarHBondContact O-N 3.13Å
553	I	27.9	Very low	34.1	Very low	152 Å²	152	129.2 Å²	129.2	78%	0.779	70%	0.698	S	S	*	*			trans	-94.2	84.2	173.8	-58.8	177.2	0	0	0	106.8	I555	I553-I555 HydrophobicContact CG2-CG1 4.28Å; I553-I555 PolarHBondContact O-N 3.36Å; I553-I555 VanDerWaalsContact O-N 3.14Å
554	S	27	Very low	35.6	Very low	100 Å²	100	123.3 Å²	123.3	70%	0.699	67%	0.671	S	S	*	*			trans	-68.7	105	171	44.7	0	0	0	0	109.8	E552 S556	E552-S554 PolarHBondContact O-N 3.13Å; S554-S556 VanDerWaalsContact C-N 3.35Å; S554-S556 PolarHBondContact O-N 2.86Å; S554-S556 VanDerWaalsContact O-N 3.11Å
555	I	30.1	Very low	36.9	Very low	127 Å²	127	118.4 Å²	118.4	65%	0.651	64%	0.643	S	S	*	*			trans	-81.5	86.2	172.6	-55.8	178	0	0	0	107.5	I553	I553-I555 HydrophobicContact CG2-CG1 4.28Å; I553-I555 PolarHBondContact O-N 3.36Å; I553-I555 VanDerWaalsContact O-N 3.14Å
556	S	31.4	Very low	38.2	Very low	75 Å²	75	117.5 Å²	117.5	52%	0.524	63%	0.628	S	S	.	*			trans	-60.6	141.5	179.6	52.8	0	0	0	0	112	S554 E566	S554-S556 VanDerWaalsContact C-N 3.35Å; S554-S556 PolarHBondContact O-N 2.86Å; S554-S556 VanDerWaalsContact O-N 3.11Å; S556-E566 WeakPolarHBondContact CA-OE1 3.32Å
557	I	39.6	Very low	39.4	Very low	20 Å²	20	116.2 Å²	116.2	10%	0.103	63%	0.628	C	S	.	*			trans	-114.6	66.6	-177.8	-49.4	-178.2	0	0	0	109.1	V559 I564 E566 R621	I557-V559 HydrophobicContact CG2-CG2 4.27Å; I557-V559 PolarHBondContact O-N 3.08Å; I557-V559 VanDerWaalsContact O-N 3.17Å; I557-I564 HydrophobicContact CB-CD1 4.25Å; I557-I564 HydrophobicContact CG2-CD1 4.22Å; I557-E566 PolarHBondContact N-OE1 3.41Å; I557-R621 VanDerWaalsContact CD1-CZ 3.46Å
558	S	31.1	Very low	40.6	Very low	114 Å²	114	107 Å²	107	80%	0.797	60%	0.599	S	S	*	*			trans	-74.4	104.1	173.4	49.2	0	0	0	0	111.1
559	V	36.5	Very low	42.6	Very low	60 Å²	60	104.9 Å²	104.9	36%	0.364	58%	0.579	S	S	.	*			trans	-118.4	130	166.5	-172.7	0	0	0	0	108	I557 A625	I557-V559 HydrophobicContact CG2-CG2 4.27Å; I557-V559 PolarHBondContact O-N 3.08Å; I557-V559 VanDerWaalsContact O-N 3.17Å; V559-A625 HydrophobicContact CG1-CB 4.49Å
560	S	37.8	Very low	44.9	Very low	97 Å²	97	101.5 Å²	101.5	68%	0.678	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	152.5	-168.7	22.7	0	0	0	0	113.6
561	N	39.9	Very low	47.3	Very low	152 Å²	152	93.7 Å²	93.7	81%	0.813	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-6.5	176.4	-55.6	1	0	0	0	117.7
562	C	45.2	Very low	49.4	Very low	26 Å²	26	87 Å²	87	18%	0.176	49%	0.487	C	S	.	.	S	Bend	trans	-145.8	116.2	154.8	-173.9	0	0	0	0	109.3	I564 Q628	C562-I564 PolarHBondContact O-N 2.86Å; C562-Q628 HydrophobicContact CB-CG 4.11Å; C562-Q628 PolarHBondContact O-NE2 3.01Å
563	Q	52.5	Low	51.9	Low	170 Å²	170	79.8 Å²	79.8	79%	0.794	46%	0.455	S	S	*	.			trans	-69.7	117	-178.7	-68	-178.5	-3.3	0	0	109.9	Q565	Q563-Q565 PolarHBondContact O-N 2.77Å
564	I	60	Low	54.7	Low	24 Å²	24	72.8 Å²	72.8	12%	0.123	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	121.6	166.3	-58.2	-176.1	0	0	0	107.1	I557 C562 E566 M641 E643	I557-I564 HydrophobicContact CB-CD1 4.25Å; I557-I564 HydrophobicContact CG2-CD1 4.22Å; C562-I564 PolarHBondContact O-N 2.86Å; I564-E566 VanDerWaalsContact C-N 3.32Å; I564-E566 HydrophobicContact CG2-CG 4.48Å; I564-E566 PolarHBondContact O-N 2.81Å; I564-M641 HydrophobicContact CG1-CB 4.41Å; I564-E643 HydrophobicContact CG2-CB 3.77Å
565	Q	61.7	Low	57.5	Low	73 Å²	73	68.1 Å²	68.1	34%	0.341	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	80.6	-179.1	-64.3	-171.4	18.9	0	0	109.7	Q563 V568 M641 F642	Q563-Q565 PolarHBondContact O-N 2.77Å; Q565-V568 HydrophobicContact CB-CB 4.02Å; Q565-V568 HydrophobicContact CB-CG2 3.97Å; Q565-M641 PolarHBondContact N-O 3.2Å; Q565-F642 HydrophobicContact CB-CD1 3.8Å; Q565-F642 HydrophobicContact CB-CE1 3.92Å; Q565-F642 HydrophobicContact CG-CE1 4.42Å; Q565-F642 VanDerWaalsContact OE1-CE1 3.32Å
566	E	57.2	Low	60.1	Low	76 Å²	76	62.2 Å²	62.2	36%	0.355	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.5	169.5	-63.2	-179.1	-170	0	0	109.8	S556 I557 I564 V568	S556-E566 WeakPolarHBondContact CA-OE1 3.32Å; I557-E566 PolarHBondContact N-OE1 3.41Å; I564-E566 VanDerWaalsContact C-N 3.32Å; I564-E566 HydrophobicContact CG2-CG 4.48Å; I564-E566 PolarHBondContact O-N 2.81Å; E566-V568 PolarHBondContact O-N 2.86Å
567	N	56	Low	62.5	Low	163 Å²	163	59.2 Å²	59.2	87%	0.872	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	12.1	177.9	-49.4	-67.1	0	0	0	117
568	V	64.4	Low	64.1	Low	58 Å²	58	60.9 Å²	60.9	35%	0.352	35%	0.345	S	S	.	.			trans	-96.9	124.5	170	-178.3	0	0	0	0	109.7	Q565 E566 I570 F642	Q565-V568 HydrophobicContact CB-CB 4.02Å; Q565-V568 HydrophobicContact CB-CG2 3.97Å; E566-V568 PolarHBondContact O-N 2.86Å; V568-I570 PolarHBondContact O-N 2.87Å; V568-I570 VanDerWaalsContact O-N 3.17Å; V568-F642 HydrophobicContact CB-CD1 4.21Å; V568-F642 HydrophobicContact CB-CE1 4.19Å; V568-F642 HydrophobicContact CG1-CD1 4.35Å; V568-F642 HydrophobicContact CG1-CE1 3.9Å
569	D	70.9	Confident	66.1	Low	73 Å²	73	59.7 Å²	59.7	39%	0.39	33%	0.33	S	S	.	.			trans	-67.8	113.8	171.9	179.7	12.9	0	0	0	110.2	N571 S572	D569-N571 PolarHBondContact O-N 2.8Å; D569-N571 VanDerWaalsContact O-N 3.12Å; D569-N571 WeakPolarHBondContact OD1-CB 3.39Å; D569-N571 PolarHBondContact OD1-N 3.08Å; D569-N571 PolarHBondContact OD1-ND2 3.04Å; D569-S572 WeakPolarHBondContact O-CB 3.18Å; D569-S572 PolarHBondContact O-N 3.25Å; D569-S572 PolarHBondContact O-OG 2.86Å
570	I	81.9	Confident	68	Low	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-52.2	-32.7	175	-173.7	170.3	0	0	0	112.4	V568 S572 V573 Y574 I604 F642 F649 V651	V568-I570 PolarHBondContact O-N 2.87Å; V568-I570 VanDerWaalsContact O-N 3.17Å; I570-S572 PolarHBondContact O-N 3.08Å; I570-S572 VanDerWaalsContact O-N 3.16Å; I570-V573 PolarHBondContact O-N 3.15Å; I570-Y574 HydrophobicContact CG1-CD2 4Å; I570-Y574 PolarHBondContact O-N 3.12Å; I570-I604 HydrophobicContact CD1-CG2 4.23Å; I570-F642 HydrophobicContact CB-CB 4.24Å; I570-F642 HydrophobicContact CB-CD1 4.18Å; I570-F642 HydrophobicContact CB-CD2 3.97Å; I570-F642 HydrophobicContact CB-CE2 4.38Å; I570-F642 HydrophobicContact CB-CG 3.87Å; I570-F642 HydrophobicContact CD1-CD2 3.63Å; I570-F642 HydrophobicContact CD1-CE2 4.12Å; I570-F642 HydrophobicContact CD1-CG 4.28Å; I570-F642 HydrophobicContact CG1-CD2 3.66Å; I570-F642 HydrophobicContact CG1-CE2 3.83Å; I570-F642 HydrophobicContact CG1-CG 4.1Å; I570-F642 HydrophobicContact CG1-CZ 4.42Å; I570-F649 HydrophobicContact CD1-CB 3.54Å; I570-F649 HydrophobicContact CD1-CD1 3.7Å; I570-F649 HydrophobicContact CD1-CG 3.74Å; I570-F649 HydrophobicContact CG2-CD1 4.21Å; I570-F649 HydrophobicContact CG2-CE1 4.09Å; I570-F649 HydrophobicContact CG2-CE2 4.4Å; I570-F649 HydrophobicContact CG2-CG 4.43Å; I570-F649 HydrophobicContact CG2-CZ 4.2Å; I570-V651 HydrophobicContact CD1-CG2 4.26Å
571	N	78.2	Confident	69.9	Low	16 Å²	16	57.7 Å²	57.7	9%	0.086	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-66.8	-15.5	-179.4	-57.1	-78.6	0	0	0	112.9	M534 D569 Y574 R596	M534-N571 HydrophobicContact CG-CB 4.36Å; D569-N571 PolarHBondContact O-N 2.8Å; D569-N571 VanDerWaalsContact O-N 3.12Å; D569-N571 WeakPolarHBondContact OD1-CB 3.39Å; D569-N571 PolarHBondContact OD1-N 3.08Å; D569-N571 PolarHBondContact OD1-ND2 3.04Å; N571-Y574 WeakPolarHBondContact CA-O 3.47Å; N571-R596 PolarHBondContact O-NE 3.14Å; N571-R596 PolarHBondContact O-NH2 3.31Å; N571-R596 VanDerWaalsContact O-NH2 3.13Å
572	S	78.4	Confident	71.7	Confident	65 Å²	65	54.1 Å²	54.1	46%	0.455	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-77.6	-22.6	172.7	71.7	0	0	0	0	113.7	D569 I570	D569-S572 WeakPolarHBondContact O-CB 3.18Å; D569-S572 PolarHBondContact O-N 3.25Å; D569-S572 PolarHBondContact O-OG 2.86Å; I570-S572 PolarHBondContact O-N 3.08Å; I570-S572 VanDerWaalsContact O-N 3.16Å
573	V	82	Confident	72.8	Confident	30 Å²	30	54.1 Å²	54.1	18%	0.182	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-37.2	-177.6	-170.4	0	0	0	0	111.6	I570 R596 F642	I570-V573 PolarHBondContact O-N 3.15Å; V573-R596 WeakPolarHBondContact O-CB 3.45Å; V573-R596 PolarHBondContact O-N 2.86Å; V573-F642 HydrophobicContact CB-CZ 4.32Å; V573-F642 HydrophobicContact CG2-CE1 4.47Å; V573-F642 HydrophobicContact CG2-CZ 4.26Å
574	Y	86.2	Confident	73.2	Confident	6 Å²	6	48.1 Å²	48.1	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.3	-176	-59.3	-88	0	0	0	112	I570 N571 K594 H595 V602 I604 E639 C640 F642 V651	I570-Y574 HydrophobicContact CG1-CD2 4Å; I570-Y574 PolarHBondContact O-N 3.12Å; N571-Y574 WeakPolarHBondContact CA-O 3.47Å; Y574-K594 CarbonylContact C-O 3.55Å; Y574-K594 WeakPolarHBondContact CA-O 3.33Å; Y574-H595 HydrophobicContact CD1-CB 3.82Å; Y574-H595 HydrophobicContact CE1-CB 3.62Å; Y574-H595 AromaticContact CE1-CD2 3.55Å; Y574-H595 AromaticContact CE1-CG 3.82Å; Y574-H595 AromaticContact CZ-CD2 3.7Å; Y574-V602 HydrophobicContact CD1-CG1 4.46Å; Y574-V602 HydrophobicContact CD1-CG2 3.8Å; Y574-V602 HydrophobicContact CE1-CG1 4.11Å; Y574-V602 HydrophobicContact CE1-CG2 4.25Å; Y574-I604 HydrophobicContact CG-CD1 4.41Å; Y574-E639 PolarHBondContact OH-OE1 3.26Å; Y574-E639 VanDerWaalsContact OH-OE1 3.09Å; Y574-C640 PolarHBondContact OH-SG 2.84Å; Y574-F642 AromaticContact CD2-CE2 3.83Å; Y574-F642 HydrophobicContact CD2-CE2 3.83Å; Y574-F642 HydrophobicContact CD2-CZ 4.11Å; Y574-F642 AromaticContact CE2-CE2 3.55Å; Y574-F642 HydrophobicContact CE2-CE2 3.55Å; Y574-F642 AromaticContact CE2-CZ 3.78Å; Y574-F642 HydrophobicContact CE2-CZ 3.78Å; Y574-V651 HydrophobicContact CD1-CG1 4.26Å; Y574-V651 HydrophobicContact CD2-CG2 4.43Å; Y574-V651 HydrophobicContact CE1-CG1 3.73Å; Y574-V651 HydrophobicContact CE2-CG1 4.46Å; Y574-V651 HydrophobicContact CE2-CG2 4.23Å
575	Q	85.7	Confident	72.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.3	163.1	-177.9	62.9	64.3	0	0	108.6	L533 F577 G593 K594	L533-Q575 PolarHBondContact O-NE2 2.97Å; L533-Q575 VanDerWaalsContact O-NE2 3.14Å; L533-Q575 PolarHBondContact O-OE1 3.09Å; Q575-F577 HydrophobicContact CB-CE1 4.32Å; Q575-F577 HydrophobicContact CG-CD1 4.02Å; Q575-F577 HydrophobicContact CG-CE1 3.52Å; Q575-F577 HydrophobicContact CG-CZ 4.29Å; Q575-G593 CarbonylContact O-C 3.58Å; Q575-G593 WeakPolarHBondContact O-CA 3.13Å; Q575-K594 PolarHBondContact N-O 3.15Å; Q575-K594 PolarHBondContact O-N 2.88Å
576	I	85.4	Confident	72.4	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.6	171	-61.7	160.4	0	0	0	108.7	P535 Y591 I604 I606 F649	P535-I576 HydrophobicContact CG-CB 4.03Å; P535-I576 HydrophobicContact CG-CG2 4.48Å; I576-Y591 HydrophobicContact CG2-CG 4.17Å; I576-I604 HydrophobicContact CD1-CG2 4.48Å; I576-I604 HydrophobicContact CG1-CD1 3.7Å; I576-I604 HydrophobicContact CG1-CG2 4.43Å; I576-I606 HydrophobicContact CD1-CD1 4.13Å; I576-I606 HydrophobicContact CG2-CD1 4.34Å; I576-F649 HydrophobicContact CD1-CD1 4.27Å; I576-F649 HydrophobicContact CD1-CE1 4.09Å
577	F	82.2	Confident	72.5	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	98.3	176.5	-54.8	-48.5	0	0	0	111.4	Q575 D579 E580 G592 K594	Q575-F577 HydrophobicContact CB-CE1 4.32Å; Q575-F577 HydrophobicContact CG-CD1 4.02Å; Q575-F577 HydrophobicContact CG-CE1 3.52Å; Q575-F577 HydrophobicContact CG-CZ 4.29Å; F577-D579 VanDerWaalsContact C-N 3.26Å; F577-D579 PolarHBondContact O-N 3.07Å; F577-E580 HydrophobicContact CB-CB 3.89Å; F577-E580 PolarHBondContact O-N 2.89Å; F577-G592 WeakPolarHBondContact CB-O 3.44Å; F577-G592 PolarHBondContact N-O 3.36Å; F577-K594 HydrophobicContact CE2-CB 4.44Å; F577-K594 HydrophobicContact CE2-CD 4.41Å; F577-K594 HydrophobicContact CE2-CG 4.04Å; F577-K594 HydrophobicContact CZ-CB 4.21Å; F577-K594 HydrophobicContact CZ-CD 4.14Å; F577-K594 HydrophobicContact CZ-CG 4.08Å
578	P	72.6	Confident	73.1	Confident	55 Å²	55	36.6 Å²	36.6	36%	0.357	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-21	-173.7	-22.9	34.6	0	0	0	115.5	P535 E580 Y591	P535-P578 HydrophobicContact CB-CG 3.22Å; P535-P578 HydrophobicContact CG-CG 4.07Å; P578-E580 VanDerWaalsContact C-N 3.31Å; P578-Y591 HydrophobicContact CB-CE1 4.44Å
579	D	74	Confident	73.6	Confident	88 Å²	88	35 Å²	35	47%	0.471	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-12.6	173.9	64.2	-85.4	0	0	0	112.9	S441 K442 F577	S441-D579 PolarHBondContact OG-OD1 3.16Å; K442-D579 WeakPolarHBondContact CE-OD2 3.46Å; K442-D579 IonicContact NZ-OD1 2.75Å; K442-D579 IonicContact NZ-OD2 3.78Å; K442-D579 PolarHBondContact NZ-OD2 3.23Å; F577-D579 VanDerWaalsContact C-N 3.26Å; F577-D579 PolarHBondContact O-N 3.07Å
580	E	76.4	Confident	74.1	Confident	53 Å²	53	33 Å²	33	25%	0.248	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	67.2	179.6	-161.4	174.8	149.8	0	0	110.9	K442 F577 P578 L582 Y591 G592 K654	K442-E580 IonicContact NZ-OE2 3.69Å; F577-E580 HydrophobicContact CB-CB 3.89Å; F577-E580 PolarHBondContact O-N 2.89Å; P578-E580 VanDerWaalsContact C-N 3.31Å; E580-L582 HydrophobicContact CG-CD2 4.21Å; E580-L582 PolarHBondContact O-N 3.38Å; E580-Y591 CarbonylContact O-C 3.53Å; E580-Y591 WeakPolarHBondContact O-CA 3.47Å; E580-G592 PolarHBondContact O-N 2.88Å; E580-K654 VanDerWaalsContact OE1-CE 3.31Å; E580-K654 WeakPolarHBondContact OE1-CE 3.39Å; E580-K654 IonicContact OE1-NZ 2.99Å; E580-K654 PolarHBondContact OE1-NZ 2.89Å
581	V	77.5	Confident	74.2	Confident	62 Å²	62	33.3 Å²	33.3	38%	0.376	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	112.5	170.8	177.6	0	0	0	0	108.9	I589 Y591	V581-I589 HydrophobicContact CG1-CG2 3.92Å; V581-I589 HydrophobicContact CG2-CG2 4.37Å; V581-Y591 HydrophobicContact CG2-CD1 3.94Å; V581-Y591 HydrophobicContact CG2-CE1 3.56Å
582	L	77	Confident	74.7	Confident	78 Å²	78	32.6 Å²	32.6	41%	0.408	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-30.1	175.1	-57.7	177.9	0	0	0	111.8	E580 V590 A603 K654	E580-L582 HydrophobicContact CG-CD2 4.21Å; E580-L582 PolarHBondContact O-N 3.38Å; L582-V590 HydrophobicContact CB-CB 4.41Å; L582-V590 HydrophobicContact CB-CG1 4.23Å; L582-V590 HydrophobicContact CD1-CG1 4.41Å; L582-V590 PolarHBondContact N-O 3.43Å; L582-A603 HydrophobicContact CD1-CB 3.98Å; L582-K654 HydrophobicContact CD1-CG 4.17Å
583	G	68.1	Low	75.2	Confident	26 Å²	26	29.5 Å²	29.5	27%	0.268	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	172.6	179.6	0	0	0	0	0	114.6	V590	G583-V590 PolarHBondContact N-O 3.32Å; G583-V590 PolarHBondContact O-N 3.1Å
584	S	62.2	Low	75.5	Confident	44 Å²	44	30.5 Å²	30.5	31%	0.308	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	105.3	173.6	66.7	0	0	0	0	111.2	K170	K170-S584 WeakPolarHBondContact CB-OG 3.47Å
585	G	53.4	Low	75.6	Confident	25 Å²	25	31.7 Å²	31.7	26%	0.258	19%	0.185	S	C	.	.			trans	-84.4	-165	179	0	0	0	0	0	112.8	G588	G585-G588 PolarHBondContact N-O 3.47Å
586	Q	51.8	Low	75.4	Confident	50 Å²	50	32.4 Å²	32.4	23%	0.234	19%	0.188	C	C	.	.	S	Bend	trans	-70.6	-39.6	174.1	-178.6	174.5	-78.3	0	0	112.3
587	F	57.4	Low	75.2	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.018	22%	0.222	C	C	.	.	S	Bend	trans	-97.8	-7.2	-169.9	-55.1	-78.6	0	0	0	113.8	I607 F612 Q616 Q619	F587-I607 HydrophobicContact CB-CD1 4.31Å; F587-I607 HydrophobicContact CB-CG1 4.49Å; F587-I607 WeakPolarHBondContact O-CG1 3.42Å; F587-I607 WeakPolarHBondContact O-CG2 3.48Å; F587-F612 WeakPolarHBondContact O-CE2 3.39Å; F587-Q616 HydrophobicContact CE1-CB 4.39Å; F587-Q616 HydrophobicContact CE1-CG 4.36Å; F587-Q619 HydrophobicContact CE1-CB 4.24Å; F587-Q619 HydrophobicContact CZ-CB 4.21Å
588	G	68.8	Low	75.3	Confident	14 Å²	14	43.1 Å²	43.1	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-177.4	-169.9	0	0	0	0	0	115.3	G585 I606	G585-G588 PolarHBondContact N-O 3.47Å; G588-I606 CarbonylContact C-O 3.57Å; G588-I606 WeakPolarHBondContact CA-O 3.48Å
589	I	74.6	Confident	75.7	Confident	25 Å²	25	42.1 Å²	42.1	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134	-177.4	-49.4	142.7	0	0	0	107.4	F174 V581 Y591 K605 I606	F174-I589 HydrophobicContact CB-CD1 4.31Å; F174-I589 HydrophobicContact CD1-CD1 3.23Å; F174-I589 HydrophobicContact CD1-CG1 3.9Å; F174-I589 HydrophobicContact CD2-CD1 4.32Å; F174-I589 HydrophobicContact CE1-CD1 3.39Å; F174-I589 HydrophobicContact CE1-CG1 3.62Å; F174-I589 HydrophobicContact CE1-CG2 4.48Å; F174-I589 HydrophobicContact CE2-CD1 4.45Å; F174-I589 HydrophobicContact CG-CD1 3.72Å; F174-I589 HydrophobicContact CZ-CD1 4.01Å; F174-I589 HydrophobicContact CZ-CG1 4.31Å; F174-I589 HydrophobicContact CZ-CG2 4.42Å; V581-I589 HydrophobicContact CG1-CG2 3.92Å; V581-I589 HydrophobicContact CG2-CG2 4.37Å; I589-Y591 HydrophobicContact CB-CD2 4.27Å; I589-Y591 HydrophobicContact CB-CE2 3.64Å; I589-Y591 HydrophobicContact CD1-CE2 4.21Å; I589-Y591 HydrophobicContact CG2-CD2 4.02Å; I589-Y591 HydrophobicContact CG2-CE1 4.19Å; I589-Y591 HydrophobicContact CG2-CE2 3.48Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.48Å; I589-K605 CarbonylContact O-C 3.5Å; I589-K605 WeakPolarHBondContact O-CA 3.47Å; I589-I606 PolarHBondContact N-O 2.81Å; I589-I606 PolarHBondContact O-N 3.31Å
590	V	82.4	Confident	76.5	Confident	30 Å²	30	43.2 Å²	43.2	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.2	175	-168.3	0	0	0	0	108.2	L582 G583 A603 I604 K605	L582-V590 HydrophobicContact CB-CB 4.41Å; L582-V590 HydrophobicContact CB-CG1 4.23Å; L582-V590 HydrophobicContact CD1-CG1 4.41Å; L582-V590 PolarHBondContact N-O 3.43Å; G583-V590 PolarHBondContact N-O 3.32Å; G583-V590 PolarHBondContact O-N 3.1Å; V590-A603 HydrophobicContact CG1-CB 3.98Å; V590-I604 WeakPolarHBondContact CA-O 3.29Å; V590-K605 HydrophobicContact CG2-CB 4.07Å; V590-K605 HydrophobicContact CG2-CG 4.16Å
591	Y	84.9	Confident	77.3	Confident	12 Å²	12	43.6 Å²	43.6	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	151	175.7	-67	-86.3	0	0	0	110.8	I576 P578 E580 V581 I589 I604 I606	I576-Y591 HydrophobicContact CG2-CG 4.17Å; P578-Y591 HydrophobicContact CB-CE1 4.44Å; E580-Y591 CarbonylContact O-C 3.53Å; E580-Y591 WeakPolarHBondContact O-CA 3.47Å; V581-Y591 HydrophobicContact CG2-CD1 3.94Å; V581-Y591 HydrophobicContact CG2-CE1 3.56Å; I589-Y591 HydrophobicContact CB-CD2 4.27Å; I589-Y591 HydrophobicContact CB-CE2 3.64Å; I589-Y591 HydrophobicContact CD1-CE2 4.21Å; I589-Y591 HydrophobicContact CG2-CD2 4.02Å; I589-Y591 HydrophobicContact CG2-CE1 4.19Å; I589-Y591 HydrophobicContact CG2-CE2 3.48Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.48Å; Y591-I604 PolarHBondContact N-O 3.43Å; Y591-I604 PolarHBondContact O-N 3.46Å; Y591-I606 HydrophobicContact CD2-CD1 3.54Å; Y591-I606 HydrophobicContact CD2-CG1 3.93Å; Y591-I606 HydrophobicContact CE2-CD1 3.72Å; Y591-I606 HydrophobicContact CE2-CG1 4.27Å
592	G	87.3	Confident	78	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	149.2	161.4	0	0	0	0	0	110.6	F577 E580	F577-G592 WeakPolarHBondContact CB-O 3.44Å; F577-G592 PolarHBondContact N-O 3.36Å; E580-G592 PolarHBondContact O-N 2.88Å
593	G	89.6	Confident	78.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	179.7	173	0	0	0	0	0	112	Q575 D601 V602	Q575-G593 CarbonylContact O-C 3.58Å; Q575-G593 WeakPolarHBondContact O-CA 3.13Å; G593-D601 WeakPolarHBondContact O-CA 3.32Å; G593-V602 PolarHBondContact N-O 3Å; G593-V602 PolarHBondContact O-N 2.68Å
594	K	88.3	Confident	79.7	Confident	51 Å²	51	36.1 Å²	36.1	22%	0.222	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.6	172	-82.1	-179.9	175.8	-70.2	0	111.3	Y574 Q575 F577 R596 G599 R600 D601	Y574-K594 CarbonylContact C-O 3.55Å; Y574-K594 WeakPolarHBondContact CA-O 3.33Å; Q575-K594 PolarHBondContact N-O 3.15Å; Q575-K594 PolarHBondContact O-N 2.88Å; F577-K594 HydrophobicContact CE2-CB 4.44Å; F577-K594 HydrophobicContact CE2-CD 4.41Å; F577-K594 HydrophobicContact CE2-CG 4.04Å; F577-K594 HydrophobicContact CZ-CB 4.21Å; F577-K594 HydrophobicContact CZ-CD 4.14Å; F577-K594 HydrophobicContact CZ-CG 4.08Å; K594-R596 PolarHBondContact O-N 2.95Å; K594-G599 PolarHBondContact NZ-O 2.77Å; K594-R600 CarbonylContact C-O 3.53Å; K594-R600 WeakPolarHBondContact CA-O 3.1Å; K594-D601 WeakPolarHBondContact CE-OD1 3.35Å; K594-D601 IonicContact NZ-OD1 2.83Å; K594-D601 PolarHBondContact NZ-OD1 2.96Å; K594-D601 IonicContact NZ-OD2 2.73Å; K594-D601 PolarHBondContact NZ-OD2 3.14Å
595	H	87.2	Confident	80.8	Confident	31 Å²	31	34.3 Å²	34.3	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.1	166.2	-176	-49.9	0	0	0	109.1	Y574 K597 S598 G599 R600 E639	Y574-H595 HydrophobicContact CD1-CB 3.82Å; Y574-H595 HydrophobicContact CE1-CB 3.62Å; Y574-H595 AromaticContact CE1-CD2 3.55Å; Y574-H595 AromaticContact CE1-CG 3.82Å; Y574-H595 AromaticContact CZ-CD2 3.7Å; H595-K597 PolarHBondContact ND1-N 3.43Å; H595-K597 PolarHBondContact O-N 2.98Å; H595-S598 WeakPolarHBondContact CB-OG 3.5Å; H595-S598 VanDerWaalsContact CG-OG 3.31Å; H595-S598 PolarHBondContact ND1-OG 2.8Å; H595-S598 PolarHBondContact O-N 3.44Å; H595-G599 WeakPolarHBondContact O-CA 3.23Å; H595-G599 PolarHBondContact O-N 2.85Å; H595-R600 PolarHBondContact N-O 3.03Å; H595-E639 IonicContact CD2-OE1 3.34Å
596	R	82.8	Confident	82.3	Confident	17 Å²	17	33.6 Å²	33.6	6%	0.064	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-51.9	-171.1	-69.4	-173.8	-178.4	-69.7	-9.7	113.5	L461 I464 L465 N571 V573 K594 S598	L461-R596 PolarHBondContact O-NH1 3.03Å; I464-R596 WeakPolarHBondContact O-CD 3.49Å; I464-R596 PolarHBondContact O-NH1 3.14Å; L465-R596 HydrophobicContact CD2-CB 4.08Å; N571-R596 PolarHBondContact O-NE 3.14Å; N571-R596 PolarHBondContact O-NH2 3.31Å; N571-R596 VanDerWaalsContact O-NH2 3.13Å; V573-R596 WeakPolarHBondContact O-CB 3.45Å; V573-R596 PolarHBondContact O-N 2.86Å; K594-R596 PolarHBondContact O-N 2.95Å; R596-S598 PolarHBondContact O-N 3Å
597	K	80.1	Confident	83.4	Confident	169 Å²	169	31.4 Å²	31.4	74%	0.735	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.2	-174	-55.6	-178	179.4	176.9	0	114.7	H595	H595-K597 PolarHBondContact ND1-N 3.43Å; H595-K597 PolarHBondContact O-N 2.98Å
598	S	85.8	Confident	84.1	Confident	72 Å²	72	32.5 Å²	32.5	50%	0.503	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.7	-174.8	60.1	0	0	0	0	113.7	H595 R596 R600	H595-S598 WeakPolarHBondContact CB-OG 3.5Å; H595-S598 VanDerWaalsContact CG-OG 3.31Å; H595-S598 PolarHBondContact ND1-OG 2.8Å; H595-S598 PolarHBondContact O-N 3.44Å; R596-S598 PolarHBondContact O-N 3Å; S598-R600 PolarHBondContact O-N 3.49Å; S598-R600 VanDerWaalsContact O-N 3.07Å
599	G	81.4	Confident	84.2	Confident	33 Å²	33	34.9 Å²	34.9	34%	0.34	18%	0.176	S	C	.	.			trans	69.4	-5.5	-176.5	0	0	0	0	0	115.3	K594 H595	K594-G599 PolarHBondContact NZ-O 2.77Å; H595-G599 WeakPolarHBondContact O-CA 3.23Å; H595-G599 PolarHBondContact O-N 2.85Å
600	R	90.2	Very high	83.8	Confident	111 Å²	111	40 Å²	40	42%	0.419	20%	0.204	S	C	.	.			trans	-64.8	134.4	-176.4	177	166.3	54	68.8	2	111.3	K594 H595 S598 E639	K594-R600 CarbonylContact C-O 3.53Å; K594-R600 WeakPolarHBondContact CA-O 3.1Å; H595-R600 PolarHBondContact N-O 3.03Å; S598-R600 PolarHBondContact O-N 3.49Å; S598-R600 VanDerWaalsContact O-N 3.07Å; R600-E639 IonicContact CZ-OE1 3.75Å; R600-E639 IonicContact CZ-OE2 3.43Å; R600-E639 IonicContact NH1-OE1 2.7Å; R600-E639 IonicContact NH1-OE2 2.71Å; R600-E639 PolarHBondContact NH1-OE2 3.26Å; R600-E639 IonicContact NH2-OE1 3.68Å; R600-E639 PolarHBondContact NH2-OE1 2.77Å; R600-E639 IonicContact NH2-OE2 2.7Å; R600-E639 PolarHBondContact NH2-OE2 3.44Å
601	D	91.9	Very high	82.6	Confident	61 Å²	61	43.6 Å²	43.6	33%	0.326	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.4	173.9	-67.6	-90.4	0	0	0	112.1	G593 K594 K654	G593-D601 WeakPolarHBondContact O-CA 3.32Å; K594-D601 WeakPolarHBondContact CE-OD1 3.35Å; K594-D601 IonicContact NZ-OD1 2.83Å; K594-D601 PolarHBondContact NZ-OD1 2.96Å; K594-D601 IonicContact NZ-OD2 2.73Å; K594-D601 PolarHBondContact NZ-OD2 3.14Å; D601-K654 HydrophobicContact CB-CB 4.28Å; D601-K654 HydrophobicContact CB-CD 3.66Å; D601-K654 IonicContact OD1-NZ 3.93Å
602	V	93	Very high	81.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.9	-178.9	-68.9	0	0	0	0	111.4	Y574 G593 I604 E639 V651 M652	Y574-V602 HydrophobicContact CD1-CG1 4.46Å; Y574-V602 HydrophobicContact CD1-CG2 3.8Å; Y574-V602 HydrophobicContact CE1-CG1 4.11Å; Y574-V602 HydrophobicContact CE1-CG2 4.25Å; G593-V602 PolarHBondContact N-O 3Å; G593-V602 PolarHBondContact O-N 2.68Å; V602-I604 HydrophobicContact CG2-CD1 3.86Å; V602-I604 HydrophobicContact CG2-CG1 3.93Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.32Å; V602-V651 HydrophobicContact CB-CG1 4.03Å; V602-V651 HydrophobicContact CG1-CG1 4.09Å; V602-V651 HydrophobicContact CG2-CG1 4.32Å; V602-M652 WeakPolarHBondContact CA-O 3.2Å; V602-M652 WeakPolarHBondContact CB-O 3.43Å
603	A	92.3	Very high	79.2	Confident	9 Å²	9	49.6 Å²	49.6	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.9	169.4	0	0	0	0	0	109.3	L582 V590 M652	L582-A603 HydrophobicContact CD1-CB 3.98Å; V590-A603 HydrophobicContact CG1-CB 3.98Å; A603-M652 PolarHBondContact N-O 2.92Å; A603-M652 PolarHBondContact O-N 3.29Å
604	I	89.5	Confident	77.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.4	-173.3	-58	174.9	0	0	0	109	I570 Y574 I576 V590 Y591 V602 I606 F649 V650 V651	I570-I604 HydrophobicContact CD1-CG2 4.23Å; Y574-I604 HydrophobicContact CG-CD1 4.41Å; I576-I604 HydrophobicContact CD1-CG2 4.48Å; I576-I604 HydrophobicContact CG1-CD1 3.7Å; I576-I604 HydrophobicContact CG1-CG2 4.43Å; V590-I604 WeakPolarHBondContact CA-O 3.29Å; Y591-I604 PolarHBondContact N-O 3.43Å; Y591-I604 PolarHBondContact O-N 3.46Å; V602-I604 HydrophobicContact CG2-CD1 3.86Å; V602-I604 HydrophobicContact CG2-CG1 3.93Å; I604-I606 HydrophobicContact CG2-CG1 4.13Å; I604-F649 HydrophobicContact CG2-CB 4.44Å; I604-F649 HydrophobicContact CG2-CD1 4.27Å; I604-V650 WeakPolarHBondContact CA-O 3.37Å; I604-V651 HydrophobicContact CG1-CG1 4.37Å; I604-V651 HydrophobicContact CG1-CG2 4.35Å
605	K	85.4	Confident	75.5	Confident	7 Å²	7	61.5 Å²	61.5	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.3	176.6	-179.6	174.8	170.2	179.9	0	108.7	I589 V590 I607 E623 V650 M652 D720	I589-K605 CarbonylContact O-C 3.5Å; I589-K605 WeakPolarHBondContact O-CA 3.47Å; V590-K605 HydrophobicContact CG2-CB 4.07Å; V590-K605 HydrophobicContact CG2-CG 4.16Å; K605-I607 HydrophobicContact CD-CD1 4.49Å; K605-I607 HydrophobicContact CG-CD1 4.27Å; K605-I607 HydrophobicContact CG-CG1 4.21Å; K605-E623 IonicContact NZ-OE1 3.49Å; K605-E623 PolarHBondContact NZ-OE1 3.41Å; K605-E623 IonicContact NZ-OE2 3.39Å; K605-E623 PolarHBondContact NZ-OE2 2.93Å; K605-V650 HydrophobicContact CB-CB 4.23Å; K605-V650 PolarHBondContact N-O 3.48Å; K605-V650 PolarHBondContact O-N 2.89Å; K605-M652 HydrophobicContact CB-CE 3.76Å; K605-D720 IonicContact NZ-OD1 2.66Å; K605-D720 PolarHBondContact NZ-OD1 2.87Å
606	I	84	Confident	73.9	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.046	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.9	-179.6	-50.9	-176.9	0	0	0	109.5	V537 I576 G588 I589 Y591 I604 F649	V537-I606 HydrophobicContact CG2-CD1 4.47Å; I576-I606 HydrophobicContact CD1-CD1 4.13Å; I576-I606 HydrophobicContact CG2-CD1 4.34Å; G588-I606 CarbonylContact C-O 3.57Å; G588-I606 WeakPolarHBondContact CA-O 3.48Å; I589-I606 PolarHBondContact N-O 2.81Å; I589-I606 PolarHBondContact O-N 3.31Å; Y591-I606 HydrophobicContact CD2-CD1 3.54Å; Y591-I606 HydrophobicContact CD2-CG1 3.93Å; Y591-I606 HydrophobicContact CE2-CD1 3.72Å; Y591-I606 HydrophobicContact CE2-CG1 4.27Å; I604-I606 HydrophobicContact CG2-CG1 4.13Å; I606-F649 HydrophobicContact CB-CD1 4.45Å; I606-F649 HydrophobicContact CD1-CD1 4.2Å; I606-F649 HydrophobicContact CD1-CE1 3.98Å; I606-F649 HydrophobicContact CG1-CD1 3.83Å; I606-F649 HydrophobicContact CG1-CE1 4.05Å; I606-F649 HydrophobicContact CG2-CD1 4.17Å; I606-F649 HydrophobicContact CG2-CE1 3.92Å; I606-F649 HydrophobicContact CG2-CZ 4.44Å
607	I	75.3	Confident	72.7	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131	-173	-61.1	179	0	0	0	108.8	F587 K605 F612 L620 R647 V648 V650	F587-I607 HydrophobicContact CB-CD1 4.31Å; F587-I607 HydrophobicContact CB-CG1 4.49Å; F587-I607 WeakPolarHBondContact O-CG1 3.42Å; F587-I607 WeakPolarHBondContact O-CG2 3.48Å; K605-I607 HydrophobicContact CD-CD1 4.49Å; K605-I607 HydrophobicContact CG-CD1 4.27Å; K605-I607 HydrophobicContact CG-CG1 4.21Å; I607-F612 HydrophobicContact CG2-CD2 4.47Å; I607-L620 HydrophobicContact CD1-CD1 3.48Å; I607-L620 VanDerWaalsContact CD1-CD1 3.48Å; I607-L620 HydrophobicContact CG2-CD2 3.94Å; I607-R647 CarbonylContact O-C 3.55Å; I607-R647 WeakPolarHBondContact O-CA 3.28Å; I607-R647 VanDerWaalsContact O-CB 3.31Å; I607-R647 WeakPolarHBondContact O-CB 3.48Å; I607-V648 HydrophobicContact CB-CB 4.32Å; I607-V648 PolarHBondContact N-O 3.36Å; I607-V648 PolarHBondContact O-N 3.15Å; I607-V650 HydrophobicContact CD1-CG2 4.29Å
608	D	72.3	Confident	71.8	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.15	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103.6	-171.7	-177.2	-27.3	0	0	0	110.3	L610 R611 F612	D608-L610 VanDerWaalsContact C-N 3.28Å; D608-L610 PolarHBondContact O-N 2.97Å; D608-L610 PolarHBondContact OD1-N 3.1Å; D608-L610 VanDerWaalsContact OD1-N 3.17Å; D608-R611 HydrophobicContact CB-CB 4.3Å; D608-R611 HydrophobicContact CB-CG 4.17Å; D608-R611 PolarHBondContact O-N 3.44Å; D608-R611 PolarHBondContact OD1-N 3.29Å; D608-R611 VanDerWaalsContact OD2-CD 3.23Å; D608-R611 WeakPolarHBondContact OD2-CD 3.09Å; D608-R611 IonicContact OD2-CZ 2.68Å; D608-R611 IonicContact OD2-NE 3.3Å; D608-R611 PolarHBondContact OD2-NE 3.48Å; D608-F612 WeakPolarHBondContact O-CD2 3.12Å
609	K	70.8	Confident	70.6	Confident	63 Å²	63	60.6 Å²	60.6	27%	0.274	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61.3	-37.1	-176	-64.7	173.6	168	-177.2	0	112	R611 F612 E643 T644 P645 E646	K609-R611 PolarHBondContact O-N 3.34Å; K609-F612 PolarHBondContact O-N 2.95Å; K609-F612 VanDerWaalsContact O-N 3.11Å; K609-E643 WeakPolarHBondContact CE-OE1 3.42Å; K609-E643 VanDerWaalsContact NZ-CG 3.31Å; K609-E643 IonicContact NZ-OE1 2.65Å; K609-E643 PolarHBondContact NZ-OE1 2.82Å; K609-T644 WeakPolarHBondContact CE-O 3.43Å; K609-T644 PolarHBondContact NZ-O 3.28Å; K609-P645 VanDerWaalsContact CD-O 3.22Å; K609-P645 WeakPolarHBondContact CD-O 3.45Å; K609-E646 VanDerWaalsContact CB-O 3.26Å; K609-E646 WeakPolarHBondContact CB-O 3.48Å; K609-E646 PolarHBondContact N-O 3.43Å
610	L	65	Low	69.7	Low	134 Å²	134	59.9 Å²	59.9	70%	0.702	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-67.3	-23.7	-177.2	-58.4	178.1	0	0	0	112.1	D608 E646	D608-L610 VanDerWaalsContact C-N 3.28Å; D608-L610 PolarHBondContact O-N 2.97Å; D608-L610 PolarHBondContact OD1-N 3.1Å; D608-L610 VanDerWaalsContact OD1-N 3.17Å; L610-E646 HydrophobicContact CD1-CB 4.14Å; L610-E646 HydrophobicContact CD1-CG 4.34Å; L610-E646 HydrophobicContact CG-CB 4.33Å
611	R	57.9	Low	68.6	Low	104 Å²	104	59.1 Å²	59.1	39%	0.392	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-83.1	-10.4	174.6	-67.7	178.8	-171.1	-116.4	-6.1	114.7	A173 D608 K609	A173-R611 PolarHBondContact O-NH1 2.99Å; A173-R611 PolarHBondContact O-NH2 3.42Å; D608-R611 HydrophobicContact CB-CB 4.3Å; D608-R611 HydrophobicContact CB-CG 4.17Å; D608-R611 PolarHBondContact O-N 3.44Å; D608-R611 PolarHBondContact OD1-N 3.29Å; D608-R611 VanDerWaalsContact OD2-CD 3.23Å; D608-R611 WeakPolarHBondContact OD2-CD 3.09Å; D608-R611 IonicContact OD2-CZ 2.68Å; D608-R611 IonicContact OD2-NE 3.3Å; D608-R611 PolarHBondContact OD2-NE 3.48Å; K609-R611 PolarHBondContact O-N 3.34Å
612	F	55.3	Low	67.6	Low	47 Å²	47	60.1 Å²	60.1	21%	0.206	30%	0.302	C	S	.	.	S	Bend	trans	-131.2	68	-168.9	-59.4	-52.9	0	0	0	114.2	F587 I607 D608 K609 T614 Q616	F587-F612 WeakPolarHBondContact O-CE2 3.39Å; I607-F612 HydrophobicContact CG2-CD2 4.47Å; D608-F612 WeakPolarHBondContact O-CD2 3.12Å; K609-F612 PolarHBondContact O-N 2.95Å; K609-F612 VanDerWaalsContact O-N 3.11Å; F612-T614 PolarHBondContact O-N 3.24Å; F612-Q616 HydrophobicContact CB-CB 4.06Å; F612-Q616 VanDerWaalsContact CD1-OE1 3.27Å
613	P	45.8	Very low	66.6	Low	92 Å²	92	60.4 Å²	60.4	60%	0.597	30%	0.303	S	S	*	.			trans	-61.1	131	-171.7	-24.2	35	0	0	0	115.2	K615	P613-K615 PolarHBondContact O-N 2.89Å
614	T	50.4	Low	65.5	Low	131 Å²	131	60.4 Å²	60.4	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-18.3	154.8	63	0	0	0	0	121.6	F612	F612-T614 PolarHBondContact O-N 3.24Å
615	K	49.8	Very low	64.8	Low	169 Å²	169	62.2 Å²	62.2	74%	0.735	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-35.2	172.4	-84.3	-176.6	176	174.6	0	113.5	P613 S618	P613-K615 PolarHBondContact O-N 2.89Å; K615-S618 PolarHBondContact O-N 2.89Å; K615-S618 PolarHBondContact O-OG 3.26Å
616	Q	53.1	Low	64.7	Low	61 Å²	61	62 Å²	62	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-79.7	-22.3	-175.1	-76.5	162.3	-27.9	0	0	113	F587 F612 S618 Q619 L620	F587-Q616 HydrophobicContact CE1-CB 4.39Å; F587-Q616 HydrophobicContact CE1-CG 4.36Å; F612-Q616 HydrophobicContact CB-CB 4.06Å; F612-Q616 VanDerWaalsContact CD1-OE1 3.27Å; Q616-S618 PolarHBondContact O-N 3.01Å; Q616-Q619 WeakPolarHBondContact O-CA 3.5Å; Q616-Q619 WeakPolarHBondContact O-CB 3.11Å; Q616-Q619 PolarHBondContact O-N 2.86Å; Q616-L620 PolarHBondContact O-N 3.34Å
617	E	57.9	Low	64.4	Low	86 Å²	86	62 Å²	62	40%	0.402	32%	0.316	S	S	.	.	H	α-helix	trans	-54.5	-40.1	168.1	-164.7	-159.8	145.4	0	0	112	Q619 L620 R621	E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.86Å; E617-L620 WeakPolarHBondContact O-CB 3.46Å; E617-L620 PolarHBondContact O-N 2.83Å; E617-R621 WeakPolarHBondContact O-CG 3.23Å; E617-R621 PolarHBondContact O-N 3.06Å; E617-R621 IonicContact OE1-CZ 3.41Å; E617-R621 IonicContact OE1-NE 3.61Å; E617-R621 PolarHBondContact OE1-NE 2.86Å; E617-R621 IonicContact OE1-NH2 3.21Å; E617-R621 PolarHBondContact OE1-NH2 3.19Å
618	S	60.5	Low	64.5	Low	64 Å²	64	62.4 Å²	62.4	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-28.9	174.1	76.2	0	0	0	0	112.9	K615 Q616 N622	K615-S618 PolarHBondContact O-N 2.89Å; K615-S618 PolarHBondContact O-OG 3.26Å; Q616-S618 PolarHBondContact O-N 3.01Å; S618-N622 PolarHBondContact O-N 2.82Å; S618-N622 PolarHBondContact O-ND2 3.18Å
619	Q	60.6	Low	65	Low	59 Å²	59	63.6 Å²	63.6	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-76.3	-38.7	176.1	-60.4	-177.6	-17.9	0	0	110.7	F587 Q616 E617 N622 E623	F587-Q619 HydrophobicContact CE1-CB 4.24Å; F587-Q619 HydrophobicContact CZ-CB 4.21Å; Q616-Q619 WeakPolarHBondContact O-CA 3.5Å; Q616-Q619 WeakPolarHBondContact O-CB 3.11Å; Q616-Q619 PolarHBondContact O-N 2.86Å; E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.86Å; Q619-N622 PolarHBondContact O-N 3.3Å; Q619-E623 PolarHBondContact O-N 3.31Å
620	L	62.9	Low	65.8	Low	18 Å²	18	61.1 Å²	61.1	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-51.6	172.5	178.4	57.5	0	0	0	111.7	I607 Q616 E617 N622 E623 V624 V648	I607-L620 HydrophobicContact CD1-CD1 3.48Å; I607-L620 VanDerWaalsContact CD1-CD1 3.48Å; I607-L620 HydrophobicContact CG2-CD2 3.94Å; Q616-L620 PolarHBondContact O-N 3.34Å; E617-L620 WeakPolarHBondContact O-CB 3.46Å; E617-L620 PolarHBondContact O-N 2.83Å; L620-N622 PolarHBondContact O-N 3.41Å; L620-E623 PolarHBondContact O-N 3.4Å; L620-V624 HydrophobicContact CD1-CG2 4.14Å; L620-V624 VanDerWaalsContact O-CG2 3.29Å; L620-V624 WeakPolarHBondContact O-CG2 3.46Å; L620-V624 PolarHBondContact O-N 2.86Å; L620-V648 HydrophobicContact CD2-CB 4.09Å; L620-V648 HydrophobicContact CD2-CG1 4.39Å; L620-V648 HydrophobicContact CD2-CG2 3.79Å
621	R	66.4	Low	66.9	Low	96 Å²	96	61.2 Å²	61.2	36%	0.362	32%	0.315	S	S	.	.	H	α-helix	trans	-55.1	-34.6	175.1	-69	175.3	-176.3	-123.9	6.4	112.1	I557 E617 A625	I557-R621 VanDerWaalsContact CD1-CZ 3.46Å; E617-R621 WeakPolarHBondContact O-CG 3.23Å; E617-R621 PolarHBondContact O-N 3.06Å; E617-R621 IonicContact OE1-CZ 3.41Å; E617-R621 IonicContact OE1-NE 3.61Å; E617-R621 PolarHBondContact OE1-NE 2.86Å; E617-R621 IonicContact OE1-NH2 3.21Å; E617-R621 PolarHBondContact OE1-NH2 3.19Å; R621-A625 WeakPolarHBondContact O-CB 3.42Å; R621-A625 PolarHBondContact O-N 2.9Å; R621-A625 VanDerWaalsContact O-N 3.08Å
622	N	70.5	Confident	68.6	Low	82 Å²	82	58 Å²	58	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-42.5	173.4	-83.5	-72.1	0	0	0	113.4	S618 Q619 L620 V624 A625 I626	S618-N622 PolarHBondContact O-N 2.82Å; S618-N622 PolarHBondContact O-ND2 3.18Å; Q619-N622 PolarHBondContact O-N 3.3Å; L620-N622 PolarHBondContact O-N 3.41Å; N622-V624 VanDerWaalsContact C-N 3.3Å; N622-V624 PolarHBondContact O-N 2.83Å; N622-A625 PolarHBondContact O-N 3.15Å; N622-I626 WeakPolarHBondContact O-CB 3.17Å; N622-I626 VanDerWaalsContact O-CG1 3.25Å; N622-I626 WeakPolarHBondContact O-CG1 3.48Å; N622-I626 PolarHBondContact O-N 2.99Å
623	E	72.9	Confident	70.5	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.023	30%	0.3	C	S	.	.	H	α-helix	trans	-57.9	-45.9	175.2	-177.2	175.5	174.3	0	0	110.7	K605 Q619 L620 I626 L627 F721 G722	K605-E623 IonicContact NZ-OE1 3.49Å; K605-E623 PolarHBondContact NZ-OE1 3.41Å; K605-E623 IonicContact NZ-OE2 3.39Å; K605-E623 PolarHBondContact NZ-OE2 2.93Å; Q619-E623 PolarHBondContact O-N 3.31Å; L620-E623 PolarHBondContact O-N 3.4Å; E623-I626 PolarHBondContact O-N 3.27Å; E623-L627 HydrophobicContact CG-CD1 4.09Å; E623-L627 WeakPolarHBondContact O-CB 3.47Å; E623-L627 WeakPolarHBondContact O-CG 3.36Å; E623-L627 PolarHBondContact O-N 3Å; E623-F721 HydrophobicContact CG-CB 4.11Å; E623-G722 VanDerWaalsContact CD-N 3.35Å; E623-G722 VanDerWaalsContact OE2-CA 3.22Å; E623-G722 WeakPolarHBondContact OE2-CA 3.2Å
624	V	69.4	Low	72.8	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-53.8	177.8	172.5	0	0	0	0	111.7	L620 N622 I626 L627 Q628 M641	L620-V624 HydrophobicContact CD1-CG2 4.14Å; L620-V624 VanDerWaalsContact O-CG2 3.29Å; L620-V624 WeakPolarHBondContact O-CG2 3.46Å; L620-V624 PolarHBondContact O-N 2.86Å; N622-V624 VanDerWaalsContact C-N 3.3Å; N622-V624 PolarHBondContact O-N 2.83Å; V624-I626 VanDerWaalsContact C-N 3.27Å; V624-I626 PolarHBondContact O-N 3.31Å; V624-L627 PolarHBondContact O-N 2.91Å; V624-Q628 HydrophobicContact CG1-CG 4.32Å; V624-Q628 WeakPolarHBondContact O-CB 3.47Å; V624-Q628 WeakPolarHBondContact O-CG 3.4Å; V624-Q628 PolarHBondContact O-N 3.44Å; V624-M641 HydrophobicContact CB-SD 4.1Å; V624-M641 HydrophobicContact CG1-CE 4.2Å; V624-M641 HydrophobicContact CG1-SD 3.49Å; V624-M641 WeakPolarHBondContact CG1-SD 3.48Å; V624-M641 HydrophobicContact CG2-CE 3.5Å; V624-M641 HydrophobicContact CG2-SD 3.53Å; V624-M641 VanDerWaalsContact CG2-SD 3.53Å
625	A	75.3	Confident	75	Confident	38 Å²	38	46.2 Å²	46.2	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-33.4	-179.3	0	0	0	0	0	112.5	V559 R621 N622 S629	V559-A625 HydrophobicContact CG1-CB 4.49Å; R621-A625 WeakPolarHBondContact O-CB 3.42Å; R621-A625 PolarHBondContact O-N 2.9Å; R621-A625 VanDerWaalsContact O-N 3.08Å; N622-A625 PolarHBondContact O-N 3.15Å; A625-S629 WeakPolarHBondContact O-CB 3.35Å; A625-S629 PolarHBondContact O-N 3.3Å
626	I	82.4	Confident	77	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-52.8	172.2	-73.7	170.4	0	0	0	110	N622 E623 V624 Q628 S629 L630 I695 F721 A724	N622-I626 WeakPolarHBondContact O-CB 3.17Å; N622-I626 VanDerWaalsContact O-CG1 3.25Å; N622-I626 WeakPolarHBondContact O-CG1 3.48Å; N622-I626 PolarHBondContact O-N 2.99Å; E623-I626 PolarHBondContact O-N 3.27Å; V624-I626 VanDerWaalsContact C-N 3.27Å; V624-I626 PolarHBondContact O-N 3.31Å; I626-Q628 PolarHBondContact O-N 2.95Å; I626-S629 WeakPolarHBondContact O-CB 3.38Å; I626-S629 PolarHBondContact O-N 2.84Å; I626-S629 PolarHBondContact O-OG 3.04Å; I626-L630 HydrophobicContact CG2-CD1 3.75Å; I626-L630 VanDerWaalsContact O-CG 3.31Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 2.83Å; I626-I695 HydrophobicContact CG2-CD1 4.34Å; I626-I695 HydrophobicContact CG2-CG2 4.05Å; I626-F721 HydrophobicContact CG2-CB 4.39Å; I626-F721 HydrophobicContact CG2-CD1 3.75Å; I626-F721 HydrophobicContact CG2-CE1 4.45Å; I626-F721 HydrophobicContact CG2-CG 4.36Å; I626-A724 HydrophobicContact CD1-CB 4.05Å; I626-A724 WeakPolarHBondContact CD1-O 3.36Å
627	L	78	Confident	78.7	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-45.2	179.5	-76.4	169.5	0	0	0	112.5	E623 V624 S629 L630 V636 L638 F721	E623-L627 HydrophobicContact CG-CD1 4.09Å; E623-L627 WeakPolarHBondContact O-CB 3.47Å; E623-L627 WeakPolarHBondContact O-CG 3.36Å; E623-L627 PolarHBondContact O-N 3Å; V624-L627 PolarHBondContact O-N 2.91Å; L627-S629 PolarHBondContact O-N 2.96Å; L627-L630 PolarHBondContact O-N 2.97Å; L627-V636 HydrophobicContact CD2-CG1 4.37Å; L627-L638 HydrophobicContact CB-CB 4.47Å; L627-L638 HydrophobicContact CB-CD2 4.01Å; L627-F721 HydrophobicContact CD2-CB 4.43Å; L627-F721 HydrophobicContact CD2-CD2 3.51Å; L627-F721 HydrophobicContact CD2-CE2 3.96Å; L627-F721 HydrophobicContact CD2-CG 4.06Å; L627-F721 HydrophobicContact CG-CB 4.33Å; L627-F721 HydrophobicContact CG-CD2 4.31Å; L627-F721 HydrophobicContact CG-CG 4.45Å
628	Q	78	Confident	80.1	Confident	14 Å²	14	36.9 Å²	36.9	7%	0.065	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-28.3	175.6	-71.3	174.6	-28.6	0	0	113.2	C562 V624 I626 L638	C562-Q628 HydrophobicContact CB-CG 4.11Å; C562-Q628 PolarHBondContact O-NE2 3.01Å; V624-Q628 HydrophobicContact CG1-CG 4.32Å; V624-Q628 WeakPolarHBondContact O-CB 3.47Å; V624-Q628 WeakPolarHBondContact O-CG 3.4Å; V624-Q628 PolarHBondContact O-N 3.44Å; I626-Q628 PolarHBondContact O-N 2.95Å; Q628-L638 HydrophobicContact CG-CD2 3.64Å
629	S	82.2	Confident	81.3	Confident	53 Å²	53	36 Å²	36	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.4	178	79.6	0	0	0	0	114.5	A625 I626 L627 K693	A625-S629 WeakPolarHBondContact O-CB 3.35Å; A625-S629 PolarHBondContact O-N 3.3Å; I626-S629 WeakPolarHBondContact O-CB 3.38Å; I626-S629 PolarHBondContact O-N 2.84Å; I626-S629 PolarHBondContact O-OG 3.04Å; L627-S629 PolarHBondContact O-N 2.96Å; S629-K693 PolarHBondContact O-NZ 3.49Å
630	L	87.1	Confident	82.5	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.052	18%	0.177	C	C	.	.			trans	-109	122.5	-171.2	-71.5	174.3	0	0	0	111.5	I626 L627 V635 L690 K693 I695 F721	I626-L630 HydrophobicContact CG2-CD1 3.75Å; I626-L630 VanDerWaalsContact O-CG 3.31Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 2.83Å; L627-L630 PolarHBondContact O-N 2.97Å; L630-V635 HydrophobicContact CB-CG1 4.4Å; L630-V635 HydrophobicContact CD1-CG1 4.43Å; L630-L690 HydrophobicContact CD1-CD2 3.56Å; L630-L690 HydrophobicContact CD2-CD2 3.42Å; L630-L690 VanDerWaalsContact CD2-CD2 3.42Å; L630-L690 HydrophobicContact CG-CD2 4.14Å; L630-K693 HydrophobicContact CD2-CD 4.06Å; L630-I695 HydrophobicContact CD1-CD1 4.46Å; L630-I695 HydrophobicContact CD2-CD1 3.78Å; L630-I695 HydrophobicContact CG-CD1 4.18Å; L630-F721 HydrophobicContact CD1-CD1 4.04Å; L630-F721 HydrophobicContact CD1-CE1 3.49Å; L630-F721 VanDerWaalsContact CD1-CE1 3.49Å; L630-F721 HydrophobicContact CD1-CZ 3.88Å
631	H	87.8	Confident	83.4	Confident	137 Å²	137	33 Å²	33	63%	0.634	17%	0.173	S	C	*	.			trans	-139.6	103.9	176.2	-70.4	60.2	0	0	0	105.8	H689	H631-H689 PolarHBondContact O-CE1 3.24Å; H631-H689 VanDerWaalsContact O-CE1 3.25Å
632	H	93.7	Very high	84.2	Confident	36 Å²	36	28.6 Å²	28.6	17%	0.167	16%	0.157	C	C	.	.			trans	-163.9	136.5	-175.8	-178.7	-103	0	0	0	109.3	G634 V635 H689	H632-G634 VanDerWaalsContact C-N 3.26Å; H632-G634 PolarHBondContact ND1-N 3.44Å; H632-G634 PolarHBondContact O-N 3.41Å; H632-V635 HydrophobicContact CB-CB 4.46Å; H632-V635 HydrophobicContact CB-CG2 4.16Å; H632-V635 PolarHBondContact O-N 3.47Å; H632-H689 AromaticContact CD2-CG 3.91Å; H632-H689 AromaticContact CD2-ND1 3.62Å; H632-H689 AromaticContact CG-CG 3.96Å; H632-H689 AromaticContact CG-ND1 3.94Å
633	P	95	Very high	84.6	Confident	19 Å²	19	26.4 Å²	26.4	12%	0.123	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.2	-174.4	-27.4	36.5	0	0	0	113.7	V635 K717 E850 Y852	P633-V635 PolarHBondContact O-N 3.46Å; P633-K717 WeakPolarHBondContact O-CE 3.38Å; P633-K717 VanDerWaalsContact O-CG 3.31Å; P633-K717 WeakPolarHBondContact O-CG 3.47Å; P633-K717 PolarHBondContact O-NZ 2.8Å; P633-E850 VanDerWaalsContact CG-CD 3.42Å; P633-E850 WeakPolarHBondContact CG-OE1 3.26Å; P633-E850 WeakPolarHBondContact CG-OE2 3.46Å; P633-Y852 HydrophobicContact CB-CD1 3.91Å; P633-Y852 HydrophobicContact CB-CD2 4.02Å; P633-Y852 HydrophobicContact CB-CE1 3.74Å; P633-Y852 HydrophobicContact CB-CE2 3.86Å; P633-Y852 HydrophobicContact CB-CG 4.05Å; P633-Y852 HydrophobicContact CG-CD1 3.91Å; P633-Y852 HydrophobicContact CG-CD2 4.13Å; P633-Y852 HydrophobicContact CG-CE1 4.26Å; P633-Y852 HydrophobicContact CG-CE2 4.47Å; P633-Y852 HydrophobicContact CG-CG 3.84Å
634	G	95.9	Very high	84.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	12.5	176.4	0	0	0	0	0	116.5	H632 A686 V716 K717 L718	H632-G634 VanDerWaalsContact C-N 3.26Å; H632-G634 PolarHBondContact ND1-N 3.44Å; H632-G634 PolarHBondContact O-N 3.41Å; G634-A686 WeakPolarHBondContact O-CB 3.42Å; G634-V716 WeakPolarHBondContact CA-O 3.39Å; G634-K717 WeakPolarHBondContact O-CA 3.44Å; G634-L718 PolarHBondContact O-N 2.85Å
635	V	95.4	Very high	84.9	Confident	4 Å²	4	33 Å²	33	2%	0.024	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-122.2	149	174.7	177.2	0	0	0	0	108.9	L630 H632 P633 N637 L690 K717 F721	L630-V635 HydrophobicContact CB-CG1 4.4Å; L630-V635 HydrophobicContact CD1-CG1 4.43Å; H632-V635 HydrophobicContact CB-CB 4.46Å; H632-V635 HydrophobicContact CB-CG2 4.16Å; H632-V635 PolarHBondContact O-N 3.47Å; P633-V635 PolarHBondContact O-N 3.46Å; V635-N637 PolarHBondContact O-N 3.39Å; V635-L690 HydrophobicContact CG2-CD2 4.42Å; V635-K717 PolarHBondContact O-NZ 2.86Å; V635-K717 VanDerWaalsContact O-NZ 3.11Å; V635-F721 HydrophobicContact CG1-CE2 3.9Å; V635-F721 HydrophobicContact CG1-CZ 3.74Å
636	V	92.3	Very high	84.8	Confident	8 Å²	8	35.1 Å²	35.1	5%	0.048	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-64.7	128.2	173.7	66.8	0	0	0	0	111.1	L627 M652 E653 L655 L718 C719	L627-V636 HydrophobicContact CD2-CG1 4.37Å; V636-M652 HydrophobicContact CG1-SD 4.48Å; V636-M652 HydrophobicContact CG2-CB 4.07Å; V636-M652 HydrophobicContact CG2-CG 4.44Å; V636-M652 HydrophobicContact CG2-SD 4.38Å; V636-E653 HydrophobicContact CG2-CG 3.84Å; V636-L655 HydrophobicContact CG2-CD2 4.05Å; V636-L718 WeakPolarHBondContact CG1-O 3.49Å; V636-L718 PolarHBondContact N-O 2.68Å; V636-C719 HydrophobicContact CB-CB 4.32Å; V636-C719 HydrophobicContact CG1-CB 3.93Å
637	N	88.7	Confident	84.6	Confident	85 Å²	85	36.8 Å²	36.8	46%	0.455	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-75.7	125.9	179.2	-171	43.6	0	0	0	111.2	V635 M652 E653	V635-N637 PolarHBondContact O-N 3.39Å; N637-M652 WeakPolarHBondContact O-CA 3.37Å; N637-E653 HydrophobicContact CB-CG 4.12Å; N637-E653 VanDerWaalsContact CB-OE1 3.26Å; N637-E653 WeakPolarHBondContact CB-OE1 3.42Å; N637-E653 PolarHBondContact N-OE1 2.91Å; N637-E653 PolarHBondContact O-N 2.93Å
638	L	87.3	Confident	84.6	Confident	26 Å²	26	36.5 Å²	36.5	14%	0.136	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.3	169.8	176.7	65.9	0	0	0	108.8	L627 Q628 M641 V650	L627-L638 HydrophobicContact CB-CB 4.47Å; L627-L638 HydrophobicContact CB-CD2 4.01Å; Q628-L638 HydrophobicContact CG-CD2 3.64Å; L638-M641 HydrophobicContact CD1-CG 4.14Å; L638-V650 HydrophobicContact CD1-CG1 3.39Å
639	E	85.2	Confident	85	Confident	47 Å²	47	36.5 Å²	36.5	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-56.3	-179.9	176	166.6	-173.5	0	0	111.6	Y574 H595 R600 V602 V651	Y574-E639 PolarHBondContact OH-OE1 3.26Å; Y574-E639 VanDerWaalsContact OH-OE1 3.09Å; H595-E639 IonicContact CD2-OE1 3.34Å; R600-E639 IonicContact CZ-OE1 3.75Å; R600-E639 IonicContact CZ-OE2 3.43Å; R600-E639 IonicContact NH1-OE1 2.7Å; R600-E639 IonicContact NH1-OE2 2.71Å; R600-E639 PolarHBondContact NH1-OE2 3.26Å; R600-E639 IonicContact NH2-OE1 3.68Å; R600-E639 PolarHBondContact NH2-OE1 2.77Å; R600-E639 IonicContact NH2-OE2 2.7Å; R600-E639 PolarHBondContact NH2-OE2 3.44Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.32Å; E639-V651 HydrophobicContact CB-CG1 4.25Å; E639-V651 PolarHBondContact N-O 3.13Å
640	C	85.3	Confident	85.1	Confident	12 Å²	12	34.1 Å²	34.1	8%	0.081	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	174.5	177.9	63.1	0	0	0	0	112	Y574 F642 V651	Y574-C640 PolarHBondContact OH-SG 2.84Å; C640-F642 VanDerWaalsContact SG-CE2 3.56Å; C640-V651 PolarHBondContact N-O 3.11Å; C640-V651 PolarHBondContact O-N 2.96Å
641	M	82.6	Confident	85.1	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.1	177	-71.9	-166	52.5	0	0	112.7	I564 Q565 V624 L638 V648 F649 V650	I564-M641 HydrophobicContact CG1-CB 4.41Å; Q565-M641 PolarHBondContact N-O 3.2Å; V624-M641 HydrophobicContact CB-SD 4.1Å; V624-M641 HydrophobicContact CG1-CE 4.2Å; V624-M641 HydrophobicContact CG1-SD 3.49Å; V624-M641 WeakPolarHBondContact CG1-SD 3.48Å; V624-M641 HydrophobicContact CG2-CE 3.5Å; V624-M641 HydrophobicContact CG2-SD 3.53Å; V624-M641 VanDerWaalsContact CG2-SD 3.53Å; L638-M641 HydrophobicContact CD1-CG 4.14Å; M641-V648 HydrophobicContact CE-CG1 3.27Å; M641-F649 WeakPolarHBondContact CA-O 3.23Å; M641-V650 HydrophobicContact CE-CG2 3.92Å; M641-V650 HydrophobicContact CG-CG1 4.27Å; M641-V650 HydrophobicContact SD-CG1 4.31Å; M641-V650 HydrophobicContact SD-CG2 4.24Å
642	F	82.8	Confident	85.3	Confident	3 Å²	3	28 Å²	28	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.2	172.2	-57.6	-95.3	0	0	0	109.7	Q565 V568 I570 V573 Y574 C640 F649 V651	Q565-F642 HydrophobicContact CB-CD1 3.8Å; Q565-F642 HydrophobicContact CB-CE1 3.92Å; Q565-F642 HydrophobicContact CG-CE1 4.42Å; Q565-F642 VanDerWaalsContact OE1-CE1 3.32Å; V568-F642 HydrophobicContact CB-CD1 4.21Å; V568-F642 HydrophobicContact CB-CE1 4.19Å; V568-F642 HydrophobicContact CG1-CD1 4.35Å; V568-F642 HydrophobicContact CG1-CE1 3.9Å; I570-F642 HydrophobicContact CB-CB 4.24Å; I570-F642 HydrophobicContact CB-CD1 4.18Å; I570-F642 HydrophobicContact CB-CD2 3.97Å; I570-F642 HydrophobicContact CB-CE2 4.38Å; I570-F642 HydrophobicContact CB-CG 3.87Å; I570-F642 HydrophobicContact CD1-CD2 3.63Å; I570-F642 HydrophobicContact CD1-CE2 4.12Å; I570-F642 HydrophobicContact CD1-CG 4.28Å; I570-F642 HydrophobicContact CG1-CD2 3.66Å; I570-F642 HydrophobicContact CG1-CE2 3.83Å; I570-F642 HydrophobicContact CG1-CG 4.1Å; I570-F642 HydrophobicContact CG1-CZ 4.42Å; V573-F642 HydrophobicContact CB-CZ 4.32Å; V573-F642 HydrophobicContact CG2-CE1 4.47Å; V573-F642 HydrophobicContact CG2-CZ 4.26Å; Y574-F642 AromaticContact CD2-CE2 3.83Å; Y574-F642 HydrophobicContact CD2-CE2 3.83Å; Y574-F642 HydrophobicContact CD2-CZ 4.11Å; Y574-F642 AromaticContact CE2-CE2 3.55Å; Y574-F642 HydrophobicContact CE2-CE2 3.55Å; Y574-F642 AromaticContact CE2-CZ 3.78Å; Y574-F642 HydrophobicContact CE2-CZ 3.78Å; C640-F642 VanDerWaalsContact SG-CE2 3.56Å; F642-F649 HydrophobicContact CB-CB 4.28Å; F642-F649 HydrophobicContact CB-CD2 4.39Å; F642-F649 PolarHBondContact N-O 3.47Å; F642-F649 VanDerWaalsContact N-O 3.09Å; F642-F649 PolarHBondContact O-N 2.86Å; F642-V651 HydrophobicContact CD2-CG2 4.23Å; F642-V651 HydrophobicContact CE2-CG2 4.1Å
643	E	79.4	Confident	85.1	Confident	36 Å²	36	28.4 Å²	28.4	17%	0.168	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.3	-177.8	-176.4	156.1	178.8	0	0	110.4	I564 K609 V648	I564-E643 HydrophobicContact CG2-CB 3.77Å; K609-E643 WeakPolarHBondContact CE-OE1 3.42Å; K609-E643 VanDerWaalsContact NZ-CG 3.31Å; K609-E643 IonicContact NZ-OE1 2.65Å; K609-E643 PolarHBondContact NZ-OE1 2.82Å; E643-V648 HydrophobicContact CG-CG2 4.05Å
644	T	76	Confident	85	Confident	47 Å²	47	30.3 Å²	30.3	29%	0.288	16%	0.157	S	C	.	.			trans	-113.7	169.7	172.4	77.6	0	0	0	0	108.9	K609 E646 R647 F649	K609-T644 WeakPolarHBondContact CE-O 3.43Å; K609-T644 PolarHBondContact NZ-O 3.28Å; T644-E646 WeakPolarHBondContact CB-OE2 3.28Å; T644-E646 PolarHBondContact O-N 3.24Å; T644-E646 VanDerWaalsContact O-N 3.16Å; T644-E646 PolarHBondContact OG1-N 3.15Å; T644-E646 PolarHBondContact OG1-OE2 2.8Å; T644-R647 PolarHBondContact N-O 3.37Å; T644-R647 PolarHBondContact O-N 2.99Å; T644-R647 VanDerWaalsContact O-O 3.1Å; T644-R647 PolarHBondContact OG1-N 2.97Å; T644-R647 VanDerWaalsContact OG1-N 3.07Å; T644-F649 HydrophobicContact CG2-CE2 4.05Å
645	P	73.3	Confident	84.9	Confident	104 Å²	104	31.6 Å²	31.6	68%	0.675	16%	0.164	S	C	*	.	S	Bend	trans	-56.4	-31.3	177	-25.7	35.9	0	0	0	113.4	K609	K609-P645 VanDerWaalsContact CD-O 3.22Å; K609-P645 WeakPolarHBondContact CD-O 3.45Å
646	E	73.1	Confident	84.6	Confident	84 Å²	84	37.1 Å²	37.1	39%	0.393	19%	0.189	S	C	.	.	S	Bend	trans	-100.7	-21.8	-175.1	-35.8	71.5	-161.8	0	0	113.6	K609 L610 T644	K609-E646 VanDerWaalsContact CB-O 3.26Å; K609-E646 WeakPolarHBondContact CB-O 3.48Å; K609-E646 PolarHBondContact N-O 3.43Å; L610-E646 HydrophobicContact CD1-CB 4.14Å; L610-E646 HydrophobicContact CD1-CG 4.34Å; L610-E646 HydrophobicContact CG-CB 4.33Å; T644-E646 WeakPolarHBondContact CB-OE2 3.28Å; T644-E646 PolarHBondContact O-N 3.24Å; T644-E646 VanDerWaalsContact O-N 3.16Å; T644-E646 PolarHBondContact OG1-N 3.15Å; T644-E646 PolarHBondContact OG1-OE2 2.8Å
647	R	77.8	Confident	84.4	Confident	37 Å²	37	37.6 Å²	37.6	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.9	-169.5	-63	-158.7	-178.3	115.9	1	115.5	V537 I607 T644 F649	V537-R647 VanDerWaalsContact C-NH1 3.35Å; V537-R647 PolarHBondContact O-NH1 3.48Å; V537-R647 PolarHBondContact O-NH2 2.86Å; I607-R647 CarbonylContact O-C 3.55Å; I607-R647 WeakPolarHBondContact O-CA 3.28Å; I607-R647 VanDerWaalsContact O-CB 3.31Å; I607-R647 WeakPolarHBondContact O-CB 3.48Å; T644-R647 PolarHBondContact N-O 3.37Å; T644-R647 PolarHBondContact O-N 2.99Å; T644-R647 VanDerWaalsContact O-O 3.1Å; T644-R647 PolarHBondContact OG1-N 2.97Å; T644-R647 VanDerWaalsContact OG1-N 3.07Å; R647-F649 HydrophobicContact CB-CD2 4.4Å; R647-F649 HydrophobicContact CB-CE2 3.78Å; R647-F649 HydrophobicContact CB-CZ 4.26Å
648	V	78.9	Confident	84.3	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.6	166.3	179.3	0	0	0	0	108.7	I607 L620 M641 E643 V650	I607-V648 HydrophobicContact CB-CB 4.32Å; I607-V648 PolarHBondContact N-O 3.36Å; I607-V648 PolarHBondContact O-N 3.15Å; L620-V648 HydrophobicContact CD2-CB 4.09Å; L620-V648 HydrophobicContact CD2-CG1 4.39Å; L620-V648 HydrophobicContact CD2-CG2 3.79Å; M641-V648 HydrophobicContact CE-CG1 3.27Å; E643-V648 HydrophobicContact CG-CG2 4.05Å; V648-V650 HydrophobicContact CG1-CG2 4.37Å
649	F	84.8	Confident	84.4	Confident	14 Å²	14	34.4 Å²	34.4	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.7	177.8	-58.3	-105.1	0	0	0	108.7	I570 I576 I604 I606 M641 F642 T644 R647	I570-F649 HydrophobicContact CD1-CB 3.54Å; I570-F649 HydrophobicContact CD1-CD1 3.7Å; I570-F649 HydrophobicContact CD1-CG 3.74Å; I570-F649 HydrophobicContact CG2-CD1 4.21Å; I570-F649 HydrophobicContact CG2-CE1 4.09Å; I570-F649 HydrophobicContact CG2-CE2 4.4Å; I570-F649 HydrophobicContact CG2-CG 4.43Å; I570-F649 HydrophobicContact CG2-CZ 4.2Å; I576-F649 HydrophobicContact CD1-CD1 4.27Å; I576-F649 HydrophobicContact CD1-CE1 4.09Å; I604-F649 HydrophobicContact CG2-CB 4.44Å; I604-F649 HydrophobicContact CG2-CD1 4.27Å; I606-F649 HydrophobicContact CB-CD1 4.45Å; I606-F649 HydrophobicContact CD1-CD1 4.2Å; I606-F649 HydrophobicContact CD1-CE1 3.98Å; I606-F649 HydrophobicContact CG1-CD1 3.83Å; I606-F649 HydrophobicContact CG1-CE1 4.05Å; I606-F649 HydrophobicContact CG2-CD1 4.17Å; I606-F649 HydrophobicContact CG2-CE1 3.92Å; I606-F649 HydrophobicContact CG2-CZ 4.44Å; M641-F649 WeakPolarHBondContact CA-O 3.23Å; F642-F649 HydrophobicContact CB-CB 4.28Å; F642-F649 HydrophobicContact CB-CD2 4.39Å; F642-F649 PolarHBondContact N-O 3.47Å; F642-F649 VanDerWaalsContact N-O 3.09Å; F642-F649 PolarHBondContact O-N 2.86Å; T644-F649 HydrophobicContact CG2-CE2 4.05Å; R647-F649 HydrophobicContact CB-CD2 4.4Å; R647-F649 HydrophobicContact CB-CE2 3.78Å; R647-F649 HydrophobicContact CB-CZ 4.26Å
650	V	84.1	Confident	84.3	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.9	176.5	-168.2	0	0	0	0	108.5	I604 K605 I607 L638 M641 V648 M652	I604-V650 WeakPolarHBondContact CA-O 3.37Å; K605-V650 HydrophobicContact CB-CB 4.23Å; K605-V650 PolarHBondContact N-O 3.48Å; K605-V650 PolarHBondContact O-N 2.89Å; I607-V650 HydrophobicContact CD1-CG2 4.29Å; L638-V650 HydrophobicContact CD1-CG1 3.39Å; M641-V650 HydrophobicContact CE-CG2 3.92Å; M641-V650 HydrophobicContact CG-CG1 4.27Å; M641-V650 HydrophobicContact SD-CG1 4.31Å; M641-V650 HydrophobicContact SD-CG2 4.24Å; V648-V650 HydrophobicContact CG1-CG2 4.37Å; V650-M652 HydrophobicContact CG1-CG 4.28Å; V650-M652 HydrophobicContact CG1-SD 4.43Å
651	V	89	Confident	84	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.4	-179.7	-172.6	0	0	0	0	109.5	I570 Y574 V602 I604 E639 C640 F642	I570-V651 HydrophobicContact CD1-CG2 4.26Å; Y574-V651 HydrophobicContact CD1-CG1 4.26Å; Y574-V651 HydrophobicContact CD2-CG2 4.43Å; Y574-V651 HydrophobicContact CE1-CG1 3.73Å; Y574-V651 HydrophobicContact CE2-CG1 4.46Å; Y574-V651 HydrophobicContact CE2-CG2 4.23Å; V602-V651 HydrophobicContact CB-CG1 4.03Å; V602-V651 HydrophobicContact CG1-CG1 4.09Å; V602-V651 HydrophobicContact CG2-CG1 4.32Å; I604-V651 HydrophobicContact CG1-CG1 4.37Å; I604-V651 HydrophobicContact CG1-CG2 4.35Å; E639-V651 HydrophobicContact CB-CG1 4.25Å; E639-V651 PolarHBondContact N-O 3.13Å; C640-V651 PolarHBondContact N-O 3.11Å; C640-V651 PolarHBondContact O-N 2.96Å; F642-V651 HydrophobicContact CD2-CG2 4.23Å; F642-V651 HydrophobicContact CE2-CG2 4.1Å
652	M	90.3	Very high	84.2	Confident	20 Å²	20	40.9 Å²	40.9	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	164.2	-176.8	-63.8	167.4	-69.7	0	0	110.3	V602 A603 K605 V636 N637 V650	V602-M652 WeakPolarHBondContact CA-O 3.2Å; V602-M652 WeakPolarHBondContact CB-O 3.43Å; A603-M652 PolarHBondContact N-O 2.92Å; A603-M652 PolarHBondContact O-N 3.29Å; K605-M652 HydrophobicContact CB-CE 3.76Å; V636-M652 HydrophobicContact CG1-SD 4.48Å; V636-M652 HydrophobicContact CG2-CB 4.07Å; V636-M652 HydrophobicContact CG2-CG 4.44Å; V636-M652 HydrophobicContact CG2-SD 4.38Å; N637-M652 WeakPolarHBondContact O-CA 3.37Å; V650-M652 HydrophobicContact CG1-CG 4.28Å; V650-M652 HydrophobicContact CG1-SD 4.43Å
653	E	90.8	Very high	84	Confident	43 Å²	43	40.9 Å²	40.9	20%	0.201	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	148.4	164.8	61.8	177.6	136	0	0	111.5	V636 N637 L655 K717	V636-E653 HydrophobicContact CG2-CG 3.84Å; N637-E653 HydrophobicContact CB-CG 4.12Å; N637-E653 VanDerWaalsContact CB-OE1 3.26Å; N637-E653 WeakPolarHBondContact CB-OE1 3.42Å; N637-E653 PolarHBondContact N-OE1 2.91Å; N637-E653 PolarHBondContact O-N 2.93Å; E653-L655 HydrophobicContact CG-CD1 4.35Å; E653-L655 HydrophobicContact CG-CD2 3.9Å; E653-L655 WeakPolarHBondContact O-CD2 3.32Å; E653-K717 WeakPolarHBondContact OE1-CD 3.14Å; E653-K717 VanDerWaalsContact OE1-CE 3.27Å; E653-K717 WeakPolarHBondContact OE1-CE 3.08Å; E653-K717 IonicContact OE1-NZ 2.8Å; E653-K717 PolarHBondContact OE1-NZ 3Å; E653-K717 VanDerWaalsContact OE2-CE 3.24Å; E653-K717 WeakPolarHBondContact OE2-CE 3.35Å; E653-K717 IonicContact OE2-NZ 3.37Å; E653-K717 PolarHBondContact OE2-NZ 2.68Å
654	K	92.9	Very high	83.7	Confident	59 Å²	59	44.9 Å²	44.9	26%	0.257	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-97.2	123.5	176	-167.6	-173.9	-178.1	-175.9	0	110	E580 L582 D601	E580-K654 VanDerWaalsContact OE1-CE 3.31Å; E580-K654 WeakPolarHBondContact OE1-CE 3.39Å; E580-K654 IonicContact OE1-NZ 2.99Å; E580-K654 PolarHBondContact OE1-NZ 2.89Å; L582-K654 HydrophobicContact CD1-CG 4.17Å; D601-K654 HydrophobicContact CB-CB 4.28Å; D601-K654 HydrophobicContact CB-CD 3.66Å; D601-K654 IonicContact OD1-NZ 3.93Å
655	L	92.6	Very high	83.8	Confident	28 Å²	28	47 Å²	47	15%	0.147	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-97.2	167.1	176.8	-63.2	-46.1	0	0	0	110.6	V636 E653 L706 A708 K717	V636-L655 HydrophobicContact CG2-CD2 4.05Å; E653-L655 HydrophobicContact CG-CD1 4.35Å; E653-L655 HydrophobicContact CG-CD2 3.9Å; E653-L655 WeakPolarHBondContact O-CD2 3.32Å; L655-L706 HydrophobicContact CB-CB 3.92Å; L655-L706 HydrophobicContact CB-CD1 4.26Å; L655-L706 HydrophobicContact CD2-CB 4.34Å; L655-L706 HydrophobicContact CD2-CD1 3.67Å; L655-L706 HydrophobicContact CG-CB 3.8Å; L655-L706 HydrophobicContact CG-CD1 4.04Å; L655-A708 HydrophobicContact CD1-CB 4.4Å; L655-K717 HydrophobicContact CD1-CD 3.67Å; L655-K717 HydrophobicContact CG-CD 4.46Å
656	H	90.6	Very high	84.3	Confident	120 Å²	120	43.6 Å²	43.6	56%	0.556	23%	0.227	S	C	*	.	S	Bend	trans	-73.3	-43.5	-175.4	178.4	62.2	0	0	0	112.7	L707 A710	H656-L707 WeakPolarHBondContact CB-O 3.19Å; H656-L707 PolarHBondContact N-O 3.48Å; H656-A710 WeakPolarHBondContact NE2-CB 2.95Å
657	G	87.1	Confident	84.6	Confident	17 Å²	17	47.7 Å²	47.7	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-164.6	-177.4	0	0	0	0	0	110.8	L706 L707	G657-L706 WeakPolarHBondContact O-CA 3.39Å; G657-L707 PolarHBondContact O-N 3.34Å
658	D	87.3	Confident	84.6	Confident	44 Å²	44	52.6 Å²	52.6	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	167.8	179.4	73.6	50.8	0	0	0	113.5	L660 E661 M662 V705 L706	D658-L660 VanDerWaalsContact C-N 3.29Å; D658-L660 PolarHBondContact O-N 3.33Å; D658-L660 VanDerWaalsContact OD1-CA 3.28Å; D658-L660 WeakPolarHBondContact OD1-CA 3.46Å; D658-L660 VanDerWaalsContact OD1-CB 3.24Å; D658-L660 WeakPolarHBondContact OD1-CB 3.33Å; D658-L660 PolarHBondContact OD1-N 3.1Å; D658-E661 PolarHBondContact O-N 2.79Å; D658-E661 PolarHBondContact OD1-N 2.98Å; D658-M662 PolarHBondContact O-N 2.88Å; D658-M662 VanDerWaalsContact O-N 3.13Å; D658-V705 WeakPolarHBondContact CA-O 3.36Å; D658-L706 HydrophobicContact CB-CD2 3.85Å
659	M	89.4	Confident	84.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-25.8	-178.3	-171.1	-173.1	-173.8	0	0	112.7	M662 I663 L671 L679 I683 P702 V705 I765 S769	M659-M662 PolarHBondContact O-N 3.35Å; M659-I663 HydrophobicContact CG-CD1 4.25Å; M659-I663 WeakPolarHBondContact O-CD1 3.45Å; M659-I663 VanDerWaalsContact O-CG1 3.22Å; M659-I663 WeakPolarHBondContact O-CG1 3.48Å; M659-I663 PolarHBondContact O-N 2.65Å; M659-L671 HydrophobicContact CE-CD1 4.28Å; M659-L679 HydrophobicContact CE-CB 4.11Å; M659-L679 HydrophobicContact CE-CD1 3.84Å; M659-L679 HydrophobicContact CG-CD1 4.35Å; M659-I683 HydrophobicContact SD-CD1 4.24Å; M659-P702 HydrophobicContact CB-CB 3.97Å; M659-P702 WeakPolarHBondContact CB-O 3.29Å; M659-P702 HydrophobicContact CG-CB 4.23Å; M659-P702 PolarHBondContact N-O 2.76Å; M659-P702 HydrophobicContact SD-CB 4.36Å; M659-V705 HydrophobicContact CB-CB 3.88Å; M659-V705 HydrophobicContact CB-CG1 3.92Å; M659-V705 HydrophobicContact CG-CG1 4.45Å; M659-V705 PolarHBondContact N-O 3.24Å; M659-V705 HydrophobicContact SD-CB 4.27Å; M659-V705 HydrophobicContact SD-CG1 3.94Å; M659-I765 HydrophobicContact CE-CG2 3.93Å; M659-I765 HydrophobicContact SD-CG2 3.89Å; M659-S769 WeakPolarHBondContact CE-OG 3.35Å
660	L	82.6	Confident	84.6	Confident	47 Å²	47	55.4 Å²	55.4	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-41.8	173.7	-174.9	61.8	0	0	0	110.8	D658 M662 I663 L664 P702 E703	D658-L660 VanDerWaalsContact C-N 3.29Å; D658-L660 PolarHBondContact O-N 3.33Å; D658-L660 VanDerWaalsContact OD1-CA 3.28Å; D658-L660 WeakPolarHBondContact OD1-CA 3.46Å; D658-L660 VanDerWaalsContact OD1-CB 3.24Å; D658-L660 WeakPolarHBondContact OD1-CB 3.33Å; D658-L660 PolarHBondContact OD1-N 3.1Å; L660-M662 VanDerWaalsContact C-N 3.29Å; L660-M662 PolarHBondContact O-N 3.4Å; L660-I663 PolarHBondContact O-N 3.46Å; L660-L664 HydrophobicContact CD1-CD1 4.08Å; L660-L664 HydrophobicContact CD1-CG 4.12Å; L660-L664 HydrophobicContact CD2-CD1 4.38Å; L660-L664 HydrophobicContact CG-CD1 3.83Å; L660-L664 HydrophobicContact CG-CG 4.27Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 VanDerWaalsContact O-CG 3.28Å; L660-L664 WeakPolarHBondContact O-CG 3.41Å; L660-L664 PolarHBondContact O-N 2.81Å; L660-P702 HydrophobicContact CB-CB 4.05Å; L660-E703 HydrophobicContact CB-CG 4.15Å; L660-E703 HydrophobicContact CD2-CG 3.63Å
661	E	78.9	Confident	85.1	Confident	119 Å²	119	55.7 Å²	55.7	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-60.7	-39.6	172.7	-175.4	166.8	-151.8	0	0	111.2	D658 L664 S665	D658-E661 PolarHBondContact O-N 2.79Å; D658-E661 PolarHBondContact OD1-N 2.98Å; E661-L664 PolarHBondContact O-N 2.82Å; E661-S665 WeakPolarHBondContact O-CB 3.47Å; E661-S665 PolarHBondContact O-N 3.36Å; E661-S665 PolarHBondContact O-OG 3.26Å
662	M	87.7	Confident	85.4	Confident	31 Å²	31	59.2 Å²	59.2	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-41.4	174.2	-159.8	-167.9	-166.8	0	0	112.8	D658 M659 L660 S665 S666 L671 I675 L679 L707	D658-M662 PolarHBondContact O-N 2.88Å; D658-M662 VanDerWaalsContact O-N 3.13Å; M659-M662 PolarHBondContact O-N 3.35Å; L660-M662 VanDerWaalsContact C-N 3.29Å; L660-M662 PolarHBondContact O-N 3.4Å; M662-S665 PolarHBondContact O-OG 2.88Å; M662-S666 PolarHBondContact O-N 2.98Å; M662-L671 HydrophobicContact CG-CD2 4.08Å; M662-L671 HydrophobicContact SD-CD1 4.36Å; M662-L671 HydrophobicContact SD-CD2 4.3Å; M662-I675 HydrophobicContact CE-CG2 3.84Å; M662-I675 HydrophobicContact SD-CG2 4.33Å; M662-L679 HydrophobicContact SD-CD1 3.78Å; M662-L707 HydrophobicContact CB-CD1 3.76Å; M662-L707 HydrophobicContact CG-CD1 4.06Å; M662-L707 HydrophobicContact SD-CD1 3.73Å
663	I	78.3	Confident	85.8	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-45.7	175.1	-71.6	161.6	0	0	0	110.9	M659 L660 S666 G669 R670 L671 P702 V768	M659-I663 HydrophobicContact CG-CD1 4.25Å; M659-I663 WeakPolarHBondContact O-CD1 3.45Å; M659-I663 VanDerWaalsContact O-CG1 3.22Å; M659-I663 WeakPolarHBondContact O-CG1 3.48Å; M659-I663 PolarHBondContact O-N 2.65Å; L660-I663 PolarHBondContact O-N 3.46Å; I663-S666 WeakPolarHBondContact O-CB 3.28Å; I663-G669 CarbonylContact O-C 3.38Å; I663-G669 WeakPolarHBondContact O-CA 3.24Å; I663-R670 PolarHBondContact O-N 3.49Å; I663-L671 HydrophobicContact CG1-CD1 3.78Å; I663-L671 HydrophobicContact CG1-CG 3.85Å; I663-P702 HydrophobicContact CD1-CB 4.22Å; I663-P702 HydrophobicContact CD1-CG 4.32Å; I663-V768 HydrophobicContact CD1-CG1 4.49Å
664	L	73	Confident	86.1	Confident	121 Å²	121	63.2 Å²	63.2	63%	0.634	33%	0.325	S	S	*	.	H	α-helix	trans	-78.9	-25.3	-174.8	-67.5	176.8	0	0	0	114.2	L660 E661	L660-L664 HydrophobicContact CD1-CD1 4.08Å; L660-L664 HydrophobicContact CD1-CG 4.12Å; L660-L664 HydrophobicContact CD2-CD1 4.38Å; L660-L664 HydrophobicContact CG-CD1 3.83Å; L660-L664 HydrophobicContact CG-CG 4.27Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 VanDerWaalsContact O-CG 3.28Å; L660-L664 WeakPolarHBondContact O-CG 3.41Å; L660-L664 PolarHBondContact O-N 2.81Å; E661-L664 PolarHBondContact O-N 2.82Å
665	S	77.5	Confident	86.3	Confident	90 Å²	90	61.5 Å²	61.5	63%	0.629	32%	0.319	S	S	*	.	H	α-helix	trans	-82.8	-18.1	175.6	58.3	0	0	0	0	113.6	E661 M662 E667	E661-S665 WeakPolarHBondContact O-CB 3.47Å; E661-S665 PolarHBondContact O-N 3.36Å; E661-S665 PolarHBondContact O-OG 3.26Å; M662-S665 PolarHBondContact O-OG 2.88Å; S665-E667 PolarHBondContact O-N 3.08Å
666	S	83.1	Confident	86.6	Confident	34 Å²	34	60.2 Å²	60.2	24%	0.238	31%	0.312	C	S	.	.	S	Bend	trans	-55.8	135.1	168.5	175.3	0	0	0	0	111.3	M662 I663 K668 G669 R670	M662-S666 PolarHBondContact O-N 2.98Å; I663-S666 WeakPolarHBondContact O-CB 3.28Å; S666-K668 PolarHBondContact O-N 3.48Å; S666-K668 PolarHBondContact OG-N 3.15Å; S666-G669 PolarHBondContact O-N 3.49Å; S666-R670 WeakPolarHBondContact CB-O 3.34Å; S666-R670 PolarHBondContact OG-O 2.96Å
667	E	80.1	Confident	86.9	Confident	169 Å²	169	55.9 Å²	55.9	79%	0.79	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-31.8	175.1	-176.7	-163.3	-146.8	0	0	113.3	S665	S665-E667 PolarHBondContact O-N 3.08Å
668	K	78.3	Confident	87.4	Confident	140 Å²	140	55.1 Å²	55.1	61%	0.609	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	4.4	-174.5	-69.6	155	-174.4	127.6	0	113.5	S666 R670	S666-K668 PolarHBondContact O-N 3.48Å; S666-K668 PolarHBondContact OG-N 3.15Å; K668-R670 HydrophobicContact CB-CG 4.1Å; K668-R670 WeakPolarHBondContact O-CG 3.44Å; K668-R670 PolarHBondContact O-N 3.48Å
669	G	76.9	Confident	88	Confident	29 Å²	29	53 Å²	53	30%	0.299	27%	0.272	S	S	.	.	S	Bend	trans	62.9	18.8	-174.8	0	0	0	0	0	114.4	I663 S666 G772	I663-G669 CarbonylContact O-C 3.38Å; I663-G669 WeakPolarHBondContact O-CA 3.24Å; S666-G669 PolarHBondContact O-N 3.49Å; G669-G772 VanDerWaalsContact O-CA 3.25Å; G669-G772 WeakPolarHBondContact O-CA 3.24Å
670	R	86.1	Confident	88.4	Confident	47 Å²	47	53 Å²	53	18%	0.177	27%	0.272	C	S	.	.	S	Bend	trans	-162.9	157.5	-173.9	69.5	-158.5	-172.7	76.8	3.2	110.9	I663 S666 K668 S769 L770 S771 P797	I663-R670 PolarHBondContact O-N 3.49Å; S666-R670 WeakPolarHBondContact CB-O 3.34Å; S666-R670 PolarHBondContact OG-O 2.96Å; K668-R670 HydrophobicContact CB-CG 4.1Å; K668-R670 WeakPolarHBondContact O-CG 3.44Å; K668-R670 PolarHBondContact O-N 3.48Å; R670-S769 WeakPolarHBondContact CB-O 3.49Å; R670-L770 WeakPolarHBondContact CD-O 3.43Å; R670-L770 PolarHBondContact NH1-O 3.35Å; R670-S771 VanDerWaalsContact CD-O 3.25Å; R670-S771 WeakPolarHBondContact CD-O 3.39Å; R670-P797 VanDerWaalsContact NH2-CB 3.34Å
671	L	94.5	Very high	89.1	Confident	8 Å²	8	51 Å²	51	4%	0.042	26%	0.262	C	S	.	.			trans	-93.7	149.7	-175.3	-61.3	177.9	0	0	0	112.5	M659 M662 I663 I675 T676 L679 S769	M659-L671 HydrophobicContact CE-CD1 4.28Å; M662-L671 HydrophobicContact CG-CD2 4.08Å; M662-L671 HydrophobicContact SD-CD1 4.36Å; M662-L671 HydrophobicContact SD-CD2 4.3Å; I663-L671 HydrophobicContact CG1-CD1 3.78Å; I663-L671 HydrophobicContact CG1-CG 3.85Å; L671-I675 HydrophobicContact CD1-CG2 4.34Å; L671-T676 WeakPolarHBondContact CB-OG1 3.37Å; L671-L679 HydrophobicContact CD1-CD1 3.86Å; L671-S769 PolarHBondContact N-O 3.03Å
672	P	96.3	Very high	90.1	Very high	74 Å²	74	45.4 Å²	45.4	48%	0.481	24%	0.236	S	C	.	.			trans	-65.9	150.5	165.9	-15.8	30.2	0	0	0	111.8	R674 I675 T676	P672-R674 VanDerWaalsContact C-N 3.34Å; P672-R674 PolarHBondContact O-N 3.35Å; P672-I675 HydrophobicContact CG-CD1 4.27Å; P672-I675 PolarHBondContact O-N 3.44Å; P672-I675 VanDerWaalsContact O-N 3.13Å; P672-T676 PolarHBondContact O-N 2.98Å; P672-T676 PolarHBondContact O-OG1 3.21Å
673	E	97.3	Very high	90.6	Very high	42 Å²	42	43.9 Å²	43.9	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-54.1	-43.9	179.7	-76.8	-175.2	-121.8	0	0	113.7	I675 T676 K677 L770 V801 S802 W831	E673-I675 VanDerWaalsContact C-N 3.3Å; E673-I675 PolarHBondContact O-N 3.43Å; E673-T676 CarbonylContact O-C 3.59Å; E673-T676 PolarHBondContact O-N 3.43Å; E673-T676 VanDerWaalsContact O-N 3.08Å; E673-K677 WeakPolarHBondContact O-CB 3.45Å; E673-K677 VanDerWaalsContact O-CG 3.3Å; E673-K677 WeakPolarHBondContact O-CG 3.14Å; E673-K677 PolarHBondContact O-N 3.42Å; E673-L770 HydrophobicContact CB-CD2 4.35Å; E673-L770 HydrophobicContact CG-CD1 4.37Å; E673-L770 HydrophobicContact CG-CD2 3.59Å; E673-V801 VanDerWaalsContact OE1-CA 3.3Å; E673-V801 WeakPolarHBondContact OE1-CA 3.37Å; E673-S802 PolarHBondContact OE1-N 3.49Å; E673-S802 WeakPolarHBondContact OE2-CB 3.49Å; E673-S802 PolarHBondContact OE2-OG 2.97Å; E673-W831 HydrophobicContact CB-CZ2 4.42Å; E673-W831 HydrophobicContact CG-CZ2 4.3Å; E673-W831 PolarHBondContact OE2-NE1 3.23Å
674	R	97	Very high	91.6	Very high	106 Å²	106	43.8 Å²	43.8	40%	0.4	23%	0.228	S	C	.	.	H	α-helix	trans	-54.7	-43.4	178.7	-178.8	176.1	168.2	175.4	-3.8	112.8	P672 F678 F713 Q836 D840	P672-R674 VanDerWaalsContact C-N 3.34Å; P672-R674 PolarHBondContact O-N 3.35Å; R674-F678 WeakPolarHBondContact O-CB 3.45Å; R674-F678 PolarHBondContact O-N 3.23Å; R674-F713 HydrophobicContact CG-CE1 4.07Å; R674-F713 HydrophobicContact CG-CZ 4.05Å; R674-Q836 VanDerWaalsContact CZ-CG 3.46Å; R674-Q836 VanDerWaalsContact NH1-CD 3.33Å; R674-Q836 VanDerWaalsContact NH2-NE2 3.15Å; R674-D840 IonicContact CZ-OD1 3.51Å; R674-D840 IonicContact CZ-OD2 3.95Å; R674-D840 IonicContact NE-OD1 3.79Å; R674-D840 IonicContact NE-OD2 3.99Å; R674-D840 PolarHBondContact NE-OD2 2.99Å; R674-D840 IonicContact NH2-OD1 2.77Å; R674-D840 PolarHBondContact NH2-OD1 2.72Å; R674-D840 IonicContact NH2-OD2 3.57Å; R674-D840 PolarHBondContact NH2-OD2 3.23Å
675	I	97.7	Very high	92.8	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-44.3	176.5	-60.5	-176	0	0	0	109.9	M662 L671 P672 E673 K677 F678 L679 F713	M662-I675 HydrophobicContact CE-CG2 3.84Å; M662-I675 HydrophobicContact SD-CG2 4.33Å; L671-I675 HydrophobicContact CD1-CG2 4.34Å; P672-I675 HydrophobicContact CG-CD1 4.27Å; P672-I675 PolarHBondContact O-N 3.44Å; P672-I675 VanDerWaalsContact O-N 3.13Å; E673-I675 VanDerWaalsContact C-N 3.3Å; E673-I675 PolarHBondContact O-N 3.43Å; I675-K677 PolarHBondContact O-N 2.94Å; I675-F678 PolarHBondContact O-N 3.36Å; I675-L679 HydrophobicContact CG2-CD1 3.79Å; I675-L679 HydrophobicContact CG2-CG 4.21Å; I675-L679 WeakPolarHBondContact O-CG 3.46Å; I675-L679 PolarHBondContact O-N 3.34Å; I675-F713 HydrophobicContact CG1-CE1 4.37Å; I675-F713 HydrophobicContact CG1-CZ 4.27Å
676	T	98.1	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-46.7	179.1	-51	0	0	0	0	112.2	L671 P672 E673 F678 L679 V680 L770 W831	L671-T676 WeakPolarHBondContact CB-OG1 3.37Å; P672-T676 PolarHBondContact O-N 2.98Å; P672-T676 PolarHBondContact O-OG1 3.21Å; E673-T676 CarbonylContact O-C 3.59Å; E673-T676 PolarHBondContact O-N 3.43Å; E673-T676 VanDerWaalsContact O-N 3.08Å; T676-F678 PolarHBondContact O-N 2.98Å; T676-L679 PolarHBondContact O-N 3.23Å; T676-V680 HydrophobicContact CG2-CG2 4.08Å; T676-V680 WeakPolarHBondContact O-CB 3.34Å; T676-V680 WeakPolarHBondContact O-CG2 3.26Å; T676-V680 PolarHBondContact O-N 3.07Å; T676-L770 HydrophobicContact CG2-CD2 4.03Å; T676-L770 HydrophobicContact CG2-CG 4.22Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.33Å; T676-W831 HydrophobicContact CG2-CH2 3.99Å
677	K	97.7	Very high	94.4	Very high	29 Å²	29	32.3 Å²	32.3	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-53.2	-51.8	174.3	-70.9	178.9	-178.4	-146.8	0	111.1	E673 I675 V680 T681 W831 L832 D834	E673-K677 WeakPolarHBondContact O-CB 3.45Å; E673-K677 VanDerWaalsContact O-CG 3.3Å; E673-K677 WeakPolarHBondContact O-CG 3.14Å; E673-K677 PolarHBondContact O-N 3.42Å; I675-K677 PolarHBondContact O-N 2.94Å; K677-V680 PolarHBondContact O-N 2.88Å; K677-T681 PolarHBondContact O-N 2.87Å; K677-T681 PolarHBondContact O-OG1 2.89Å; K677-T681 VanDerWaalsContact O-OG1 3.07Å; K677-W831 WeakPolarHBondContact CD-O 3.25Å; K677-W831 WeakPolarHBondContact CE-O 3.19Å; K677-W831 HydrophobicContact CG-CD2 3.88Å; K677-W831 HydrophobicContact CG-CE3 4.04Å; K677-W831 HydrophobicContact CG-CH2 3.84Å; K677-W831 HydrophobicContact CG-CZ2 3.62Å; K677-W831 HydrophobicContact CG-CZ3 4.04Å; K677-W831 PolarHBondContact NZ-O 3.25Å; K677-L832 HydrophobicContact CB-CD2 3.9Å; K677-L832 HydrophobicContact CG-CD2 4.05Å; K677-D834 IonicContact NZ-OD2 2.69Å; K677-D834 PolarHBondContact NZ-OD2 2.64Å
678	F	98.4	Very high	95.2	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-46.1	-177.6	171.3	-91.8	0	0	0	112.7	R674 I675 T676 Q682 F713 P714 D840 L841 L844	R674-F678 WeakPolarHBondContact O-CB 3.45Å; R674-F678 PolarHBondContact O-N 3.23Å; I675-F678 PolarHBondContact O-N 3.36Å; T676-F678 PolarHBondContact O-N 2.98Å; F678-Q682 PolarHBondContact O-N 2.82Å; F678-F713 HydrophobicContact CB-CD1 4.22Å; F678-F713 HydrophobicContact CB-CE1 4.39Å; F678-F713 HydrophobicContact CD1-CB 4.37Å; F678-F713 AromaticContact CD1-CD1 3.79Å; F678-F713 HydrophobicContact CD1-CD1 3.79Å; F678-F713 AromaticContact CD2-CD1 3.88Å; F678-F713 HydrophobicContact CD2-CD1 3.88Å; F678-F713 VanDerWaalsContact CE1-C 3.47Å; F678-F713 VanDerWaalsContact CE1-CA 3.45Å; F678-F713 HydrophobicContact CE1-CB 3.77Å; F678-F713 HydrophobicContact CE1-CD1 4.04Å; F678-F713 HydrophobicContact CE1-CG 4.41Å; F678-F713 HydrophobicContact CE2-CB 4.24Å; F678-F713 HydrophobicContact CE2-CD1 4.12Å; F678-F713 AromaticContact CG-CD1 3.7Å; F678-F713 HydrophobicContact CG-CD1 3.7Å; F678-F713 HydrophobicContact CG-CE1 4.34Å; F678-F713 HydrophobicContact CZ-CB 3.69Å; F678-F713 HydrophobicContact CZ-CD1 4.19Å; F678-F713 HydrophobicContact CZ-CG 4.46Å; F678-P714 VanDerWaalsContact CE1-O 3.28Å; F678-P714 WeakPolarHBondContact CE1-O 3.3Å; F678-D840 HydrophobicContact CD2-CB 3.8Å; F678-D840 HydrophobicContact CE2-CB 4.15Å; F678-D840 WeakPolarHBondContact CE2-O 3.37Å; F678-L841 HydrophobicContact CD2-CD2 3.73Å; F678-L841 HydrophobicContact CD2-CG 4.49Å; F678-L841 HydrophobicContact CE2-CD2 3.88Å; F678-L844 HydrophobicContact CE2-CB 4.23Å; F678-L844 HydrophobicContact CE2-CD2 4.32Å; F678-L844 HydrophobicContact CZ-CB 4.19Å; F678-L844 HydrophobicContact CZ-CD2 3.83Å; F678-L844 HydrophobicContact CZ-CG 4.47Å
679	L	98.5	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-44.7	176.3	-62.9	172.5	0	0	0	111.3	M659 M662 L671 I675 T676 T681 Q682 I683 L707 P714 V716	M659-L679 HydrophobicContact CE-CB 4.11Å; M659-L679 HydrophobicContact CE-CD1 3.84Å; M659-L679 HydrophobicContact CG-CD1 4.35Å; M662-L679 HydrophobicContact SD-CD1 3.78Å; L671-L679 HydrophobicContact CD1-CD1 3.86Å; I675-L679 HydrophobicContact CG2-CD1 3.79Å; I675-L679 HydrophobicContact CG2-CG 4.21Å; I675-L679 WeakPolarHBondContact O-CG 3.46Å; I675-L679 PolarHBondContact O-N 3.34Å; T676-L679 PolarHBondContact O-N 3.23Å; L679-T681 PolarHBondContact O-N 3.29Å; L679-Q682 PolarHBondContact O-N 2.89Å; L679-I683 WeakPolarHBondContact O-CG1 3.44Å; L679-I683 PolarHBondContact O-N 3.13Å; L679-L707 HydrophobicContact CD2-CD2 4.03Å; L679-P714 HydrophobicContact CD2-CG 4.04Å; L679-V716 HydrophobicContact CB-CG2 4.25Å; L679-V716 HydrophobicContact CD2-CG2 3.38Å; L679-V716 HydrophobicContact CG-CG2 4.41Å
680	V	98.5	Very high	96.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.2	-36.5	-178.3	167.5	0	0	0	0	112.1	T676 K677 I683 L684 V762 I766	T676-V680 HydrophobicContact CG2-CG2 4.08Å; T676-V680 WeakPolarHBondContact O-CB 3.34Å; T676-V680 WeakPolarHBondContact O-CG2 3.26Å; T676-V680 PolarHBondContact O-N 3.07Å; K677-V680 PolarHBondContact O-N 2.88Å; V680-I683 WeakPolarHBondContact O-CB 3.27Å; V680-I683 PolarHBondContact O-N 2.9Å; V680-L684 HydrophobicContact CG1-CD1 3.91Å; V680-L684 HydrophobicContact CG1-CG 4.36Å; V680-L684 WeakPolarHBondContact O-CB 3.36Å; V680-L684 VanDerWaalsContact O-CG 3.29Å; V680-L684 WeakPolarHBondContact O-CG 3.39Å; V680-L684 PolarHBondContact O-N 3.45Å; V680-V762 HydrophobicContact CG1-CG1 4.1Å; V680-I766 HydrophobicContact CG1-CD1 4.07Å; V680-I766 HydrophobicContact CG1-CG1 4.02Å; V680-I766 HydrophobicContact CG2-CG1 3.75Å
681	T	98.5	Very high	97.3	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-40	174.4	-61.3	0	0	0	0	112.1	K677 L679 L684 V685 L827 M837 L841 I853	K677-T681 PolarHBondContact O-N 2.87Å; K677-T681 PolarHBondContact O-OG1 2.89Å; K677-T681 VanDerWaalsContact O-OG1 3.07Å; L679-T681 PolarHBondContact O-N 3.29Å; T681-L684 PolarHBondContact O-N 3.34Å; T681-V685 HydrophobicContact CG2-CG2 4.48Å; T681-V685 WeakPolarHBondContact O-CG2 3.49Å; T681-V685 PolarHBondContact O-N 3.05Å; T681-L827 HydrophobicContact CG2-CD2 3.82Å; T681-M837 HydrophobicContact CG2-CE 3.59Å; T681-M837 WeakPolarHBondContact OG1-CE 3.33Å; T681-L841 HydrophobicContact CG2-CD1 4.02Å; T681-I853 HydrophobicContact CG2-CG2 3.99Å
682	Q	98.5	Very high	97.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.1	-67.4	-176.1	70.6	0	0	112	F678 L679 L684 V685 A686 P714 V716 L844 I853	F678-Q682 PolarHBondContact O-N 2.82Å; L679-Q682 PolarHBondContact O-N 2.89Å; Q682-L684 VanDerWaalsContact C-N 3.34Å; Q682-L684 PolarHBondContact O-N 3.3Å; Q682-V685 PolarHBondContact O-N 2.83Å; Q682-A686 WeakPolarHBondContact O-CB 3.29Å; Q682-A686 PolarHBondContact O-N 2.8Å; Q682-P714 PolarHBondContact NE2-O 2.73Å; Q682-V716 HydrophobicContact CB-CB 3.76Å; Q682-V716 HydrophobicContact CB-CG1 4.36Å; Q682-V716 HydrophobicContact CB-CG2 4.16Å; Q682-V716 HydrophobicContact CG-CB 4.49Å; Q682-L844 VanDerWaalsContact CD-CD2 3.49Å; Q682-L844 HydrophobicContact CG-CD2 4.41Å; Q682-I853 HydrophobicContact CG-CD1 4.05Å
683	I	98.6	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-47.1	171.9	-64.7	169.1	0	0	0	110.4	M659 L679 V680 A686 L687 L700 V705 V716 L718 V762 I765	M659-I683 HydrophobicContact SD-CD1 4.24Å; L679-I683 WeakPolarHBondContact O-CG1 3.44Å; L679-I683 PolarHBondContact O-N 3.13Å; V680-I683 WeakPolarHBondContact O-CB 3.27Å; V680-I683 PolarHBondContact O-N 2.9Å; I683-A686 PolarHBondContact O-N 3.12Å; I683-L687 HydrophobicContact CG2-CD1 4.02Å; I683-L687 HydrophobicContact CG2-CG 4.35Å; I683-L687 WeakPolarHBondContact O-CB 3.18Å; I683-L687 WeakPolarHBondContact O-CG 3.07Å; I683-L687 PolarHBondContact O-N 2.96Å; I683-L700 HydrophobicContact CG2-CD2 4.05Å; I683-V705 HydrophobicContact CD1-CG1 3.88Å; I683-V705 HydrophobicContact CD1-CG2 3.88Å; I683-V705 HydrophobicContact CG1-CG1 4.05Å; I683-V705 HydrophobicContact CG1-CG2 4.27Å; I683-V716 HydrophobicContact CG1-CG1 3.99Å; I683-L718 HydrophobicContact CG1-CD2 4.32Å; I683-L718 HydrophobicContact CG2-CD2 4.37Å; I683-V762 HydrophobicContact CG2-CG2 4.09Å; I683-I765 HydrophobicContact CD1-CG2 4.33Å
684	L	98.6	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-42.8	-179.8	-73.5	166.6	0	0	0	112.4	V680 T681 Q682 L687 R688 M759 V762 V823 T826 L827 L832	V680-L684 HydrophobicContact CG1-CD1 3.91Å; V680-L684 HydrophobicContact CG1-CG 4.36Å; V680-L684 WeakPolarHBondContact O-CB 3.36Å; V680-L684 VanDerWaalsContact O-CG 3.29Å; V680-L684 WeakPolarHBondContact O-CG 3.39Å; V680-L684 PolarHBondContact O-N 3.45Å; T681-L684 PolarHBondContact O-N 3.34Å; Q682-L684 VanDerWaalsContact C-N 3.34Å; Q682-L684 PolarHBondContact O-N 3.3Å; L684-L687 CarbonylContact O-C 3.58Å; L684-L687 PolarHBondContact O-N 3.1Å; L684-R688 PolarHBondContact O-N 3.32Å; L684-M759 HydrophobicContact CD2-CE 3.61Å; L684-M759 HydrophobicContact CD2-SD 4.27Å; L684-V762 HydrophobicContact CD2-CG1 4.37Å; L684-V823 HydrophobicContact CB-CG1 4.28Å; L684-V823 HydrophobicContact CD2-CG1 4.33Å; L684-V823 WeakPolarHBondContact O-CG1 3.3Å; L684-T826 HydrophobicContact CD1-CG2 3.57Å; L684-T826 HydrophobicContact CD2-CG2 3.91Å; L684-T826 HydrophobicContact CG-CG2 4.41Å; L684-L827 HydrophobicContact CB-CD2 3.62Å; L684-L827 HydrophobicContact CB-CG 4Å; L684-L827 HydrophobicContact CD1-CD2 4.02Å; L684-L827 HydrophobicContact CD1-CG 4.37Å; L684-L827 HydrophobicContact CG-CD2 4.47Å; L684-L832 HydrophobicContact CD1-CD1 3.54Å
685	V	98.1	Very high	96.3	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-39.1	176.3	169.1	0	0	0	0	111.5	T681 Q682 R688 H689 L827 Y852 I853	T681-V685 HydrophobicContact CG2-CG2 4.48Å; T681-V685 WeakPolarHBondContact O-CG2 3.49Å; T681-V685 PolarHBondContact O-N 3.05Å; Q682-V685 PolarHBondContact O-N 2.83Å; V685-R688 WeakPolarHBondContact O-CB 3.3Å; V685-R688 PolarHBondContact O-N 3.41Å; V685-H689 PolarHBondContact O-N 3.08Å; V685-L827 HydrophobicContact CG2-CD1 4.39Å; V685-L827 HydrophobicContact CG2-CD2 4.23Å; V685-Y852 HydrophobicContact CG1-CD2 4.33Å; V685-Y852 VanDerWaalsContact CG1-O 3.32Å; V685-Y852 WeakPolarHBondContact CG1-O 3.3Å; V685-I853 HydrophobicContact CB-CG2 4.49Å; V685-I853 HydrophobicContact CG2-CG2 3.88Å
686	A	97.9	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-44.8	171.3	0	0	0	0	0	112.2	G634 Q682 I683 R688 H689 L690 L718	G634-A686 WeakPolarHBondContact O-CB 3.42Å; Q682-A686 WeakPolarHBondContact O-CB 3.29Å; Q682-A686 PolarHBondContact O-N 2.8Å; I683-A686 PolarHBondContact O-N 3.12Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 2.96Å; A686-H689 PolarHBondContact O-N 3.42Å; A686-L690 WeakPolarHBondContact O-CG 3.43Å; A686-L690 PolarHBondContact O-N 3.3Å; A686-L690 VanDerWaalsContact O-N 3.11Å; A686-L718 HydrophobicContact CB-CD1 3.69Å; A686-L718 HydrophobicContact CB-CG 4Å
687	L	97.8	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-35.8	173.7	-72.1	174.8	0	0	0	112.2	I683 L684 H689 L690 H691 L700 L718 D758 M759 V762 V823	I683-L687 HydrophobicContact CG2-CD1 4.02Å; I683-L687 HydrophobicContact CG2-CG 4.35Å; I683-L687 WeakPolarHBondContact O-CB 3.18Å; I683-L687 WeakPolarHBondContact O-CG 3.07Å; I683-L687 PolarHBondContact O-N 2.96Å; L684-L687 CarbonylContact O-C 3.58Å; L684-L687 PolarHBondContact O-N 3.1Å; L687-H689 VanDerWaalsContact C-N 3.34Å; L687-H689 PolarHBondContact O-N 3.39Å; L687-L690 HydrophobicContact CD2-CD1 4.4Å; L687-L690 PolarHBondContact O-N 2.89Å; L687-H691 VanDerWaalsContact O-CB 3.23Å; L687-H691 WeakPolarHBondContact O-CB 3.42Å; L687-H691 PolarHBondContact O-CD2 3.36Å; L687-H691 VanDerWaalsContact O-CG 3.26Å; L687-H691 PolarHBondContact O-N 3.48Å; L687-L700 HydrophobicContact CD1-CD2 3.93Å; L687-L700 HydrophobicContact CD2-CD1 4.38Å; L687-L700 HydrophobicContact CD2-CD2 4.31Å; L687-L718 HydrophobicContact CD2-CD1 4.35Å; L687-L718 HydrophobicContact CG-CD1 4.49Å; L687-D758 HydrophobicContact CD1-CB 4.37Å; L687-D758 HydrophobicContact CD2-CB 3.94Å; L687-M759 HydrophobicContact CD1-SD 4.39Å; L687-V762 HydrophobicContact CD1-CG2 3.57Å; L687-V823 HydrophobicContact CB-CG2 3.99Å
688	R	96.6	Very high	95.3	Very high	108 Å²	108	23.1 Å²	23.1	41%	0.408	10%	0.102	S	C	.	.	H	α-helix	trans	-56.6	-47.6	174.9	-163.9	168.5	58.1	179.8	-3.1	111	L684 V685 A686 F692 V823 D824	L684-R688 PolarHBondContact O-N 3.32Å; V685-R688 WeakPolarHBondContact O-CB 3.3Å; V685-R688 PolarHBondContact O-N 3.41Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 2.96Å; R688-F692 VanDerWaalsContact O-CB 3.26Å; R688-F692 WeakPolarHBondContact O-CB 3.49Å; R688-F692 PolarHBondContact O-N 3.27Å; R688-V823 HydrophobicContact CB-CG1 3.8Å; R688-V823 HydrophobicContact CG-CG1 4.32Å; R688-D824 WeakPolarHBondContact CD-OD1 3.47Å
689	H	95.6	Very high	94.7	Very high	42 Å²	42	23.3 Å²	23.3	19%	0.194	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-45.9	176.2	-175.3	106.5	0	0	0	112.2	H631 H632 V685 A686 L687 K693	H631-H689 PolarHBondContact O-CE1 3.24Å; H631-H689 VanDerWaalsContact O-CE1 3.25Å; H632-H689 AromaticContact CD2-CG 3.91Å; H632-H689 AromaticContact CD2-ND1 3.62Å; H632-H689 AromaticContact CG-CG 3.96Å; H632-H689 AromaticContact CG-ND1 3.94Å; V685-H689 PolarHBondContact O-N 3.08Å; A686-H689 PolarHBondContact O-N 3.42Å; L687-H689 VanDerWaalsContact C-N 3.34Å; L687-H689 PolarHBondContact O-N 3.39Å; H689-K693 WeakPolarHBondContact NE2-CE 3.46Å; H689-K693 PolarHBondContact NE2-NZ 2.87Å; H689-K693 VanDerWaalsContact NE2-NZ 3.12Å; H689-K693 PolarHBondContact O-N 3.49Å
690	L	95.1	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-50	177.8	-61.5	-172.8	0	0	0	111.4	L630 V635 A686 L687 F692 K693 N694 I695 L718 F721	L630-L690 HydrophobicContact CD1-CD2 3.56Å; L630-L690 HydrophobicContact CD2-CD2 3.42Å; L630-L690 VanDerWaalsContact CD2-CD2 3.42Å; L630-L690 HydrophobicContact CG-CD2 4.14Å; V635-L690 HydrophobicContact CG2-CD2 4.42Å; A686-L690 WeakPolarHBondContact O-CG 3.43Å; A686-L690 PolarHBondContact O-N 3.3Å; A686-L690 VanDerWaalsContact O-N 3.11Å; L687-L690 HydrophobicContact CD2-CD1 4.4Å; L687-L690 PolarHBondContact O-N 2.89Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.38Å; L690-K693 CarbonylContact O-C 3.57Å; L690-K693 WeakPolarHBondContact O-CA 2.97Å; L690-K693 PolarHBondContact O-N 3.26Å; L690-K693 VanDerWaalsContact O-N 3.1Å; L690-N694 PolarHBondContact O-N 3.18Å; L690-I695 CarbonylContact C-O 3.51Å; L690-I695 VanDerWaalsContact C-O 3.24Å; L690-I695 HydrophobicContact CB-CB 4.31Å; L690-I695 HydrophobicContact CB-CG2 4.41Å; L690-I695 HydrophobicContact CD2-CG2 4.28Å; L690-I695 PolarHBondContact O-N 2.82Å; L690-L718 HydrophobicContact CD1-CD1 4.25Å; L690-F721 HydrophobicContact CD1-CE1 3.85Å; L690-F721 HydrophobicContact CD1-CZ 4.27Å; L690-F721 HydrophobicContact CD2-CE1 3.92Å; L690-F721 HydrophobicContact CD2-CZ 4.34Å
691	H	94.3	Very high	93.7	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	11%	0.107	C	C	.	.	H	α-helix	trans	-68.9	-30.5	-174.6	-73.5	-164.6	0	0	0	112.8	L687 N694 I695 R755 D758	L687-H691 VanDerWaalsContact O-CB 3.23Å; L687-H691 WeakPolarHBondContact O-CB 3.42Å; L687-H691 PolarHBondContact O-CD2 3.36Å; L687-H691 VanDerWaalsContact O-CG 3.26Å; L687-H691 PolarHBondContact O-N 3.48Å; H691-N694 PolarHBondContact O-N 3.13Å; H691-I695 PolarHBondContact CD2-O 2.98Å; H691-R755 PolarHBondContact CE1-O 3.17Å; H691-R755 PolarHBondContact O-NH1 2.87Å; H691-D758 IonicContact CD2-OD2 1.78Å; H691-D758 IonicContact CE1-OD2 3.76Å; H691-D758 IonicContact NE2-OD2 2.65Å; H691-D758 PolarHBondContact NE2-OD2 2.85Å
692	F	93.1	Very high	93	Very high	172 Å²	172	23.9 Å²	23.9	75%	0.754	11%	0.106	S	C	*	.	H	α-helix	trans	-65.5	-43.1	169.3	179.3	-99.5	0	0	0	111.5	R688 L690 N694	R688-F692 VanDerWaalsContact O-CB 3.26Å; R688-F692 WeakPolarHBondContact O-CB 3.49Å; R688-F692 PolarHBondContact O-N 3.27Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.38Å; F692-N694 PolarHBondContact O-N 2.66Å; F692-N694 VanDerWaalsContact O-N 3.12Å; F692-N694 PolarHBondContact O-ND2 2.85Å
693	K	91.2	Very high	92.3	Very high	82 Å²	82	26.7 Å²	26.7	36%	0.357	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	8.8	171.1	-73	-174.8	171.3	175.3	0	114.2	S629 L630 H689 L690 I695	S629-K693 PolarHBondContact O-NZ 3.49Å; L630-K693 HydrophobicContact CD2-CD 4.06Å; H689-K693 WeakPolarHBondContact NE2-CE 3.46Å; H689-K693 PolarHBondContact NE2-NZ 2.87Å; H689-K693 VanDerWaalsContact NE2-NZ 3.12Å; H689-K693 PolarHBondContact O-N 3.49Å; L690-K693 CarbonylContact O-C 3.57Å; L690-K693 WeakPolarHBondContact O-CA 2.97Å; L690-K693 PolarHBondContact O-N 3.26Å; L690-K693 VanDerWaalsContact O-N 3.1Å; K693-I695 HydrophobicContact CB-CD1 3.91Å; K693-I695 HydrophobicContact CB-CG1 4.31Å; K693-I695 PolarHBondContact O-N 3.35Å
694	N	89.6	Confident	91.9	Very high	51 Å²	51	27.2 Å²	27.2	27%	0.273	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.8	-175.3	-64.8	-97.6	0	0	0	113.8	L690 H691 F692 I726 I727 G728 E729	L690-N694 PolarHBondContact O-N 3.18Å; H691-N694 PolarHBondContact O-N 3.13Å; F692-N694 PolarHBondContact O-N 2.66Å; F692-N694 VanDerWaalsContact O-N 3.12Å; F692-N694 PolarHBondContact O-ND2 2.85Å; N694-I726 HydrophobicContact CB-CG2 4.48Å; N694-I726 CarbonylContact O-C 3.53Å; N694-I726 WeakPolarHBondContact O-CA 3.23Å; N694-I727 PolarHBondContact O-N 3.24Å; N694-G728 WeakPolarHBondContact OD1-CA 3.22Å; N694-E729 WeakPolarHBondContact OD1-CG 3.4Å; N694-E729 PolarHBondContact OD1-N 3.19Å
695	I	90.9	Very high	91.7	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.9	174.9	-65.5	161.2	0	0	0	108.6	I626 L630 L690 H691 K693 I726	I626-I695 HydrophobicContact CG2-CD1 4.34Å; I626-I695 HydrophobicContact CG2-CG2 4.05Å; L630-I695 HydrophobicContact CD1-CD1 4.46Å; L630-I695 HydrophobicContact CD2-CD1 3.78Å; L630-I695 HydrophobicContact CG-CD1 4.18Å; L690-I695 CarbonylContact C-O 3.51Å; L690-I695 VanDerWaalsContact C-O 3.24Å; L690-I695 HydrophobicContact CB-CB 4.31Å; L690-I695 HydrophobicContact CB-CG2 4.41Å; L690-I695 HydrophobicContact CD2-CG2 4.28Å; L690-I695 PolarHBondContact O-N 2.82Å; H691-I695 PolarHBondContact CD2-O 2.98Å; K693-I695 HydrophobicContact CB-CD1 3.91Å; K693-I695 HydrophobicContact CB-CG1 4.31Å; K693-I695 PolarHBondContact O-N 3.35Å; I695-I726 HydrophobicContact CG1-CG1 4.19Å
696	V	91.2	Very high	91.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.4	178.5	-175.2	0	0	0	0	108.8	C698 A724 R725 I727 R755 L757 D758	V696-C698 PolarHBondContact O-SG 3.4Å; V696-A724 CarbonylContact O-C 3.55Å; V696-A724 WeakPolarHBondContact O-CA 3.49Å; V696-A724 WeakPolarHBondContact O-CB 3.13Å; V696-R725 PolarHBondContact N-O 2.73Å; V696-R725 PolarHBondContact O-N 3.41Å; V696-I727 HydrophobicContact CB-CD1 4.24Å; V696-I727 HydrophobicContact CG2-CB 4.05Å; V696-I727 HydrophobicContact CG2-CD1 4.12Å; V696-I727 HydrophobicContact CG2-CG1 4.27Å; V696-R755 HydrophobicContact CG2-CB 3.77Å; V696-L757 HydrophobicContact CG1-CD2 3.65Å; V696-L757 HydrophobicContact CG1-CG 4.01Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.32Å
697	H	91.6	Very high	91.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.13	C	C	.	.			trans	-71.1	-37.5	-168.5	-163.9	-96.1	0	0	0	113.2	D699 L700 C719 F721 A724 D758	H697-D699 PolarHBondContact ND1-O 3Å; H697-D699 PolarHBondContact O-N 3.09Å; H697-L700 HydrophobicContact CB-CD1 4.22Å; H697-L700 PolarHBondContact ND1-N 3Å; H697-C719 PolarHBondContact CE1-O 3.45Å; H697-C719 VanDerWaalsContact CE1-O 3.31Å; H697-C719 PolarHBondContact NE2-O 2.98Å; H697-F721 AromaticContact CD2-CE1 3.8Å; H697-A724 WeakPolarHBondContact O-CA 3.21Å; H697-A724 PolarHBondContact O-N 2.99Å; H697-D758 PolarHBondContact N-OD1 3.2Å; H697-D758 PolarHBondContact N-OD2 2.9Å
698	C	88.5	Confident	91.4	Very high	3 Å²	3	31 Å²	31	2%	0.02	15%	0.147	C	C	.	.	S	Bend	trans	66.2	-14.7	173.2	-55.7	0	0	0	0	117.5	V696 F723 V737 G738 D758	V696-C698 PolarHBondContact O-SG 3.4Å; C698-F723 HydrophobicContact CB-CB 3.94Å; C698-F723 VanDerWaalsContact CB-O 3.28Å; C698-F723 WeakPolarHBondContact CB-O 3.05Å; C698-V737 HydrophobicContact CB-CG2 3.91Å; C698-G738 WeakPolarHBondContact O-CA 3.22Å; C698-G738 PolarHBondContact O-N 2.7Å; C698-D758 PolarHBondContact N-OD1 2.82Å
699	D	85.3	Confident	91.3	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.032	14%	0.138	C	C	.	.			trans	-141.6	57.1	169.3	-166.1	46.1	0	0	0	110.8	H697 K701 N704 F723 G738 T739	H697-D699 PolarHBondContact ND1-O 3Å; H697-D699 PolarHBondContact O-N 3.09Å; D699-K701 IonicContact OD2-NZ 2.71Å; D699-K701 PolarHBondContact OD2-NZ 2.71Å; D699-N704 PolarHBondContact O-ND2 3.45Å; D699-F723 HydrophobicContact CB-CB 3.92Å; D699-F723 HydrophobicContact CB-CD2 3.46Å; D699-F723 VanDerWaalsContact CB-CD2 3.46Å; D699-F723 HydrophobicContact CB-CE2 4.26Å; D699-F723 HydrophobicContact CB-CG 3.93Å; D699-G738 VanDerWaalsContact OD1-C 3.32Å; D699-G738 VanDerWaalsContact OD1-CA 3.26Å; D699-G738 WeakPolarHBondContact OD1-CA 3.46Å; D699-T739 VanDerWaalsContact OD1-CB 3.29Å; D699-T739 WeakPolarHBondContact OD1-CB 3.19Å; D699-T739 PolarHBondContact OD1-N 3.49Å; D699-T739 PolarHBondContact OD1-OG1 3.14Å; D699-T739 PolarHBondContact OD2-OG1 3.16Å
700	L	91.5	Very high	91	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.			trans	-79.8	123	176.8	-158.4	80.2	0	0	0	109.8	I683 L687 H697 L718 S761 V762 I765	I683-L700 HydrophobicContact CG2-CD2 4.05Å; L687-L700 HydrophobicContact CD1-CD2 3.93Å; L687-L700 HydrophobicContact CD2-CD1 4.38Å; L687-L700 HydrophobicContact CD2-CD2 4.31Å; H697-L700 HydrophobicContact CB-CD1 4.22Å; H697-L700 PolarHBondContact ND1-N 3Å; L700-L718 HydrophobicContact CD1-CD1 4.08Å; L700-L718 HydrophobicContact CD1-CD2 3.94Å; L700-S761 WeakPolarHBondContact O-CB 3.35Å; L700-V762 HydrophobicContact CD2-CG2 3.64Å; L700-I765 HydrophobicContact CD2-CD1 4.01Å; L700-I765 HydrophobicContact CG-CD1 4Å
701	K	85	Confident	90.9	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.074	18%	0.178	C	C	.	.			trans	-161.6	159.8	-178.4	61.9	-173.6	-166.7	-64.8	0	109.9	D699 E703 N704 V705 T739 Y742	D699-K701 IonicContact OD2-NZ 2.71Å; D699-K701 PolarHBondContact OD2-NZ 2.71Å; K701-E703 WeakPolarHBondContact CB-OE2 3.49Å; K701-E703 WeakPolarHBondContact CD-OE1 3.33Å; K701-E703 VanDerWaalsContact CE-OE1 3.27Å; K701-E703 WeakPolarHBondContact CE-OE1 3.34Å; K701-E703 HydrophobicContact CG-CB 4.36Å; K701-E703 WeakPolarHBondContact CG-OE2 3.38Å; K701-E703 PolarHBondContact O-N 3.06Å; K701-E703 VanDerWaalsContact O-N 3.17Å; K701-N704 HydrophobicContact CG-CB 4.17Å; K701-N704 PolarHBondContact NZ-ND2 2.97Å; K701-N704 PolarHBondContact NZ-OD1 3.23Å; K701-N704 WeakPolarHBondContact O-CA 3.49Å; K701-N704 PolarHBondContact O-N 2.92Å; K701-V705 WeakPolarHBondContact O-CG2 3.3Å; K701-V705 PolarHBondContact O-N 2.95Å; K701-T739 HydrophobicContact CD-CG2 4.42Å; K701-Y742 HydrophobicContact CB-CD1 4.15Å; K701-Y742 HydrophobicContact CB-CD2 3.76Å; K701-Y742 HydrophobicContact CB-CE1 4.02Å; K701-Y742 HydrophobicContact CB-CE2 3.58Å; K701-Y742 HydrophobicContact CB-CG 4.04Å; K701-Y742 HydrophobicContact CD-CD2 4.35Å; K701-Y742 HydrophobicContact CD-CE2 4.2Å
702	P	84.6	Confident	90.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-56.3	-32	-176.8	-24.9	36.2	0	0	0	114.2	M659 L660 I663 N704 V705 Y742 I765	M659-P702 HydrophobicContact CB-CB 3.97Å; M659-P702 WeakPolarHBondContact CB-O 3.29Å; M659-P702 HydrophobicContact CG-CB 4.23Å; M659-P702 PolarHBondContact N-O 2.76Å; M659-P702 HydrophobicContact SD-CB 4.36Å; L660-P702 HydrophobicContact CB-CB 4.05Å; I663-P702 HydrophobicContact CD1-CB 4.22Å; I663-P702 HydrophobicContact CD1-CG 4.32Å; P702-N704 PolarHBondContact O-N 2.78Å; P702-V705 PolarHBondContact O-N 2.94Å; P702-V705 VanDerWaalsContact O-N 3.13Å; P702-Y742 WeakPolarHBondContact CD-OH 3.47Å; P702-I765 HydrophobicContact CG-CG1 4.13Å
703	E	84	Confident	90.8	Very high	60 Å²	60	29.4 Å²	29.4	28%	0.28	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.9	-20.5	174.7	-46.7	97.3	102.4	0	0	113.6	L660 K701	L660-E703 HydrophobicContact CB-CG 4.15Å; L660-E703 HydrophobicContact CD2-CG 3.63Å; K701-E703 WeakPolarHBondContact CB-OE2 3.49Å; K701-E703 WeakPolarHBondContact CD-OE1 3.33Å; K701-E703 VanDerWaalsContact CE-OE1 3.27Å; K701-E703 WeakPolarHBondContact CE-OE1 3.34Å; K701-E703 HydrophobicContact CG-CB 4.36Å; K701-E703 WeakPolarHBondContact CG-OE2 3.38Å; K701-E703 PolarHBondContact O-N 3.06Å; K701-E703 VanDerWaalsContact O-N 3.17Å
704	N	90.2	Very high	91	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.053	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-101.7	11.4	177.4	-72.3	12.8	0	0	0	112.3	D699 K701 P702 C719	D699-N704 PolarHBondContact O-ND2 3.45Å; K701-N704 HydrophobicContact CG-CB 4.17Å; K701-N704 PolarHBondContact NZ-ND2 2.97Å; K701-N704 PolarHBondContact NZ-OD1 3.23Å; K701-N704 WeakPolarHBondContact O-CA 3.49Å; K701-N704 PolarHBondContact O-N 2.92Å; P702-N704 PolarHBondContact O-N 2.78Å; N704-C719 PolarHBondContact O-N 2.99Å
705	V	94.6	Very high	91.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	96.2	176.8	177.8	0	0	0	0	107.1	D658 M659 I683 K701 P702 V716 L718	D658-V705 WeakPolarHBondContact CA-O 3.36Å; M659-V705 HydrophobicContact CB-CB 3.88Å; M659-V705 HydrophobicContact CB-CG1 3.92Å; M659-V705 HydrophobicContact CG-CG1 4.45Å; M659-V705 PolarHBondContact N-O 3.24Å; M659-V705 HydrophobicContact SD-CB 4.27Å; M659-V705 HydrophobicContact SD-CG1 3.94Å; I683-V705 HydrophobicContact CD1-CG1 3.88Å; I683-V705 HydrophobicContact CD1-CG2 3.88Å; I683-V705 HydrophobicContact CG1-CG1 4.05Å; I683-V705 HydrophobicContact CG1-CG2 4.27Å; K701-V705 WeakPolarHBondContact O-CG2 3.3Å; K701-V705 PolarHBondContact O-N 2.95Å; P702-V705 PolarHBondContact O-N 2.94Å; P702-V705 VanDerWaalsContact O-N 3.13Å; V705-V716 HydrophobicContact CG1-CG1 3.5Å; V705-L718 HydrophobicContact CG2-CD2 4Å
706	L	94.8	Very high	91.7	Very high	33 Å²	33	23.6 Å²	23.6	17%	0.173	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	151	-175.6	-55	-175.5	0	0	0	111.8	L655 G657 D658 V716 K717 C719	L655-L706 HydrophobicContact CB-CB 3.92Å; L655-L706 HydrophobicContact CB-CD1 4.26Å; L655-L706 HydrophobicContact CD2-CB 4.34Å; L655-L706 HydrophobicContact CD2-CD1 3.67Å; L655-L706 HydrophobicContact CG-CB 3.8Å; L655-L706 HydrophobicContact CG-CD1 4.04Å; G657-L706 WeakPolarHBondContact O-CA 3.39Å; D658-L706 HydrophobicContact CB-CD2 3.85Å; L706-V716 CarbonylContact O-C 3.59Å; L706-V716 WeakPolarHBondContact O-CA 3.2Å; L706-K717 PolarHBondContact N-O 3.13Å; L706-K717 PolarHBondContact O-N 3.03Å; L706-C719 HydrophobicContact CD1-CB 3.72Å; L706-C719 HydrophobicContact CG-CB 4.02Å; L706-C719 VanDerWaalsContact CG-SG 3.59Å
707	L	96.3	Very high	92	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.8	-176.4	-50.4	-179.8	0	0	0	110	H656 G657 M662 L679 S709 P714 Q715 V716	H656-L707 WeakPolarHBondContact CB-O 3.19Å; H656-L707 PolarHBondContact N-O 3.48Å; G657-L707 PolarHBondContact O-N 3.34Å; M662-L707 HydrophobicContact CB-CD1 3.76Å; M662-L707 HydrophobicContact CG-CD1 4.06Å; M662-L707 HydrophobicContact SD-CD1 3.73Å; L679-L707 HydrophobicContact CD2-CD2 4.03Å; L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 3.43Å; L707-P714 HydrophobicContact CB-CB 4.29Å; L707-P714 HydrophobicContact CB-CG 4.13Å; L707-P714 HydrophobicContact CD1-CG 4.35Å; L707-P714 HydrophobicContact CD2-CG 3.98Å; L707-P714 HydrophobicContact CG-CG 4.37Å; L707-Q715 WeakPolarHBondContact CA-O 3.49Å; L707-V716 HydrophobicContact CD2-CG2 4.02Å
708	A	94.9	Very high	92.2	Very high	43 Å²	43	24.3 Å²	24.3	36%	0.355	15%	0.149	S	C	.	.	S	Bend	trans	-72.4	-24	-176.6	0	0	0	0	0	114.3	L655 Q715	L655-A708 HydrophobicContact CD1-CB 4.4Å; A708-Q715 HydrophobicContact CB-CB 3.88Å; A708-Q715 PolarHBondContact N-O 3.08Å
709	S	94.6	Very high	92.3	Very high	31 Å²	31	25 Å²	25	22%	0.217	15%	0.154	C	C	.	.	S	Bend	trans	-143.7	170.3	-176.7	63.6	0	0	0	0	111.9	L707 D711 P714	L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 3.43Å; S709-D711 PolarHBondContact O-N 3.33Å; S709-D711 WeakPolarHBondContact OG-CB 3.17Å; S709-D711 PolarHBondContact OG-N 3.08Å; S709-D711 PolarHBondContact OG-OD2 3Å; S709-P714 WeakPolarHBondContact OG-CB 3.43Å
710	A	90.4	Very high	92.1	Very high	81 Å²	81	26.2 Å²	26.2	67%	0.669	16%	0.16	S	C	*	.	S	Bend	trans	-79.9	3.9	171.9	0	0	0	0	0	113.3	H656	H656-A710 WeakPolarHBondContact NE2-CB 2.95Å
711	D	92.6	Very high	91.6	Very high	69 Å²	69	26.2 Å²	26.2	37%	0.369	16%	0.16	S	C	.	.	S	Bend	trans	-64.1	154.6	-176.6	-56.3	-24.4	0	0	0	110.9	S709 F713 P714 R847	S709-D711 PolarHBondContact O-N 3.33Å; S709-D711 WeakPolarHBondContact OG-CB 3.17Å; S709-D711 PolarHBondContact OG-N 3.08Å; S709-D711 PolarHBondContact OG-OD2 3Å; D711-F713 PolarHBondContact O-N 2.86Å; D711-P714 WeakPolarHBondContact O-CD 3.17Å; D711-R847 IonicContact OD2-NH1 3.65Å; D711-R847 PolarHBondContact OD2-NH1 3.47Å
712	S	88.4	Confident	91	Very high	72 Å²	72	25.4 Å²	25.4	50%	0.503	16%	0.157	S	C	.	.	S	Bend	trans	-66.7	-16.4	169.2	-48.4	0	0	0	0	113.2
713	F	95.7	Very high	90.5	Very high	48 Å²	48	26.1 Å²	26.1	21%	0.211	16%	0.16	C	C	.	.	S	Bend	trans	-132.4	70.7	178.7	-63.5	-83.5	0	0	0	110.2	R674 I675 F678 D711 D840 R847	R674-F713 HydrophobicContact CG-CE1 4.07Å; R674-F713 HydrophobicContact CG-CZ 4.05Å; I675-F713 HydrophobicContact CG1-CE1 4.37Å; I675-F713 HydrophobicContact CG1-CZ 4.27Å; F678-F713 HydrophobicContact CB-CD1 4.22Å; F678-F713 HydrophobicContact CB-CE1 4.39Å; F678-F713 HydrophobicContact CD1-CB 4.37Å; F678-F713 AromaticContact CD1-CD1 3.79Å; F678-F713 HydrophobicContact CD1-CD1 3.79Å; F678-F713 AromaticContact CD2-CD1 3.88Å; F678-F713 HydrophobicContact CD2-CD1 3.88Å; F678-F713 VanDerWaalsContact CE1-C 3.47Å; F678-F713 VanDerWaalsContact CE1-CA 3.45Å; F678-F713 HydrophobicContact CE1-CB 3.77Å; F678-F713 HydrophobicContact CE1-CD1 4.04Å; F678-F713 HydrophobicContact CE1-CG 4.41Å; F678-F713 HydrophobicContact CE2-CB 4.24Å; F678-F713 HydrophobicContact CE2-CD1 4.12Å; F678-F713 AromaticContact CG-CD1 3.7Å; F678-F713 HydrophobicContact CG-CD1 3.7Å; F678-F713 HydrophobicContact CG-CE1 4.34Å; F678-F713 HydrophobicContact CZ-CB 3.69Å; F678-F713 HydrophobicContact CZ-CD1 4.19Å; F678-F713 HydrophobicContact CZ-CG 4.46Å; D711-F713 PolarHBondContact O-N 2.86Å; F713-D840 HydrophobicContact CD1-CB 4.21Å; F713-D840 HydrophobicContact CE1-CB 4.28Å; F713-D840 VanDerWaalsContact CE1-OD2 3.23Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.29Å; F713-R847 PolarHBondContact O-NH2 3.06Å
714	P	96.8	Very high	90.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-86.5	163.9	-176.3	37.2	-35.3	0	0	0	112	F678 L679 Q682 L707 S709 D711	F678-P714 VanDerWaalsContact CE1-O 3.28Å; F678-P714 WeakPolarHBondContact CE1-O 3.3Å; L679-P714 HydrophobicContact CD2-CG 4.04Å; Q682-P714 PolarHBondContact NE2-O 2.73Å; L707-P714 HydrophobicContact CB-CB 4.29Å; L707-P714 HydrophobicContact CB-CG 4.13Å; L707-P714 HydrophobicContact CD1-CG 4.35Å; L707-P714 HydrophobicContact CD2-CG 3.98Å; L707-P714 HydrophobicContact CG-CG 4.37Å; S709-P714 WeakPolarHBondContact OG-CB 3.43Å; D711-P714 WeakPolarHBondContact O-CD 3.17Å
715	Q	97.7	Very high	89.9	Confident	14 Å²	14	24.3 Å²	24.3	7%	0.065	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-69	135.9	162.8	-173.2	176.8	52.6	0	0	109.9	L707 A708 L844 M848 Y852	L707-Q715 WeakPolarHBondContact CA-O 3.49Å; A708-Q715 HydrophobicContact CB-CB 3.88Å; A708-Q715 PolarHBondContact N-O 3.08Å; Q715-L844 HydrophobicContact CB-CD1 4.21Å; Q715-M848 HydrophobicContact CB-SD 4.49Å; Q715-Y852 PolarHBondContact NE2-OH 2.86Å
716	V	97.9	Very high	89.2	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.5	174.3	169.8	0	0	0	0	110.8	G634 L679 Q682 I683 V705 L706 L707	G634-V716 WeakPolarHBondContact CA-O 3.39Å; L679-V716 HydrophobicContact CB-CG2 4.25Å; L679-V716 HydrophobicContact CD2-CG2 3.38Å; L679-V716 HydrophobicContact CG-CG2 4.41Å; Q682-V716 HydrophobicContact CB-CB 3.76Å; Q682-V716 HydrophobicContact CB-CG1 4.36Å; Q682-V716 HydrophobicContact CB-CG2 4.16Å; Q682-V716 HydrophobicContact CG-CB 4.49Å; I683-V716 HydrophobicContact CG1-CG1 3.99Å; V705-V716 HydrophobicContact CG1-CG1 3.5Å; L706-V716 CarbonylContact O-C 3.59Å; L706-V716 WeakPolarHBondContact O-CA 3.2Å; L707-V716 HydrophobicContact CD2-CG2 4.02Å
717	K	97.2	Very high	88.4	Confident	15 Å²	15	28 Å²	28	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126	174.8	-78.9	164.3	170.7	-72	0	111.7	P633 G634 V635 E653 L655 L706	P633-K717 WeakPolarHBondContact O-CE 3.38Å; P633-K717 VanDerWaalsContact O-CG 3.31Å; P633-K717 WeakPolarHBondContact O-CG 3.47Å; P633-K717 PolarHBondContact O-NZ 2.8Å; G634-K717 WeakPolarHBondContact O-CA 3.44Å; V635-K717 PolarHBondContact O-NZ 2.86Å; V635-K717 VanDerWaalsContact O-NZ 3.11Å; E653-K717 WeakPolarHBondContact OE1-CD 3.14Å; E653-K717 VanDerWaalsContact OE1-CE 3.27Å; E653-K717 WeakPolarHBondContact OE1-CE 3.08Å; E653-K717 IonicContact OE1-NZ 2.8Å; E653-K717 PolarHBondContact OE1-NZ 3Å; E653-K717 VanDerWaalsContact OE2-CE 3.24Å; E653-K717 WeakPolarHBondContact OE2-CE 3.35Å; E653-K717 IonicContact OE2-NZ 3.37Å; E653-K717 PolarHBondContact OE2-NZ 2.68Å; L655-K717 HydrophobicContact CD1-CD 3.67Å; L655-K717 HydrophobicContact CG-CD 4.46Å; L706-K717 PolarHBondContact N-O 3.13Å; L706-K717 PolarHBondContact O-N 3.03Å
718	L	95.9	Very high	86.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.4	175.5	-59	-174.5	0	0	0	112	G634 V636 I683 A686 L687 L690 L700 V705 F721	G634-L718 PolarHBondContact O-N 2.85Å; V636-L718 WeakPolarHBondContact CG1-O 3.49Å; V636-L718 PolarHBondContact N-O 2.68Å; I683-L718 HydrophobicContact CG1-CD2 4.32Å; I683-L718 HydrophobicContact CG2-CD2 4.37Å; A686-L718 HydrophobicContact CB-CD1 3.69Å; A686-L718 HydrophobicContact CB-CG 4Å; L687-L718 HydrophobicContact CD2-CD1 4.35Å; L687-L718 HydrophobicContact CG-CD1 4.49Å; L690-L718 HydrophobicContact CD1-CD1 4.25Å; L700-L718 HydrophobicContact CD1-CD1 4.08Å; L700-L718 HydrophobicContact CD1-CD2 3.94Å; V705-L718 HydrophobicContact CG2-CD2 4Å; L718-F721 HydrophobicContact CB-CZ 4.5Å
719	C	89.8	Confident	84.9	Confident	17 Å²	17	32.5 Å²	32.5	12%	0.115	19%	0.189	C	C	.	.			trans	-143.4	174.8	-177.5	82.6	0	0	0	0	114.9	V636 H697 N704 L706	V636-C719 HydrophobicContact CB-CB 4.32Å; V636-C719 HydrophobicContact CG1-CB 3.93Å; H697-C719 PolarHBondContact CE1-O 3.45Å; H697-C719 VanDerWaalsContact CE1-O 3.31Å; H697-C719 PolarHBondContact NE2-O 2.98Å; N704-C719 PolarHBondContact O-N 2.99Å; L706-C719 HydrophobicContact CD1-CB 3.72Å; L706-C719 HydrophobicContact CG-CB 4.02Å; L706-C719 VanDerWaalsContact CG-SG 3.59Å
720	D	81.1	Confident	83	Confident	31 Å²	31	40.3 Å²	40.3	17%	0.166	22%	0.219	C	C	.	.			trans	60.2	62.1	-179.4	-158.4	39.5	0	0	0	115.4	K605 G722	K605-D720 IonicContact NZ-OD1 2.66Å; K605-D720 PolarHBondContact NZ-OD1 2.87Å; D720-G722 PolarHBondContact O-N 3.26Å
721	F	82.1	Confident	80.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-71.7	10.7	-178.9	-72.5	-101.5	0	0	0	114.7	E623 I626 L627 L630 V635 L690 H697 L718 F723 A724	E623-F721 HydrophobicContact CG-CB 4.11Å; I626-F721 HydrophobicContact CG2-CB 4.39Å; I626-F721 HydrophobicContact CG2-CD1 3.75Å; I626-F721 HydrophobicContact CG2-CE1 4.45Å; I626-F721 HydrophobicContact CG2-CG 4.36Å; L627-F721 HydrophobicContact CD2-CB 4.43Å; L627-F721 HydrophobicContact CD2-CD2 3.51Å; L627-F721 HydrophobicContact CD2-CE2 3.96Å; L627-F721 HydrophobicContact CD2-CG 4.06Å; L627-F721 HydrophobicContact CG-CB 4.33Å; L627-F721 HydrophobicContact CG-CD2 4.31Å; L627-F721 HydrophobicContact CG-CG 4.45Å; L630-F721 HydrophobicContact CD1-CD1 4.04Å; L630-F721 HydrophobicContact CD1-CE1 3.49Å; L630-F721 VanDerWaalsContact CD1-CE1 3.49Å; L630-F721 HydrophobicContact CD1-CZ 3.88Å; V635-F721 HydrophobicContact CG1-CE2 3.9Å; V635-F721 HydrophobicContact CG1-CZ 3.74Å; L690-F721 HydrophobicContact CD1-CE1 3.85Å; L690-F721 HydrophobicContact CD1-CZ 4.27Å; L690-F721 HydrophobicContact CD2-CE1 3.92Å; L690-F721 HydrophobicContact CD2-CZ 4.34Å; H697-F721 AromaticContact CD2-CE1 3.8Å; L718-F721 HydrophobicContact CB-CZ 4.5Å; F721-F723 PolarHBondContact O-N 3.43Å; F721-A724 HydrophobicContact CB-CB 4Å; F721-A724 HydrophobicContact CD1-CB 3.81Å; F721-A724 HydrophobicContact CG-CB 4.37Å; F721-A724 WeakPolarHBondContact O-CB 3.39Å; F721-A724 PolarHBondContact O-N 3.38Å
722	G	72.5	Confident	78.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.8	-27	-178	0	0	0	0	0	114.8	E623 D720 R725	E623-G722 VanDerWaalsContact CD-N 3.35Å; E623-G722 VanDerWaalsContact OE2-CA 3.22Å; E623-G722 WeakPolarHBondContact OE2-CA 3.2Å; D720-G722 PolarHBondContact O-N 3.26Å; G722-R725 PolarHBondContact O-NH1 2.74Å; G722-R725 PolarHBondContact O-NH2 3.41Å
723	F	72.6	Confident	77.1	Confident	16 Å²	16	44.2 Å²	44.2	7%	0.07	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87.9	-16	170.8	-70.5	-73.7	0	0	0	114	C698 D699 F721 R725 V737	C698-F723 HydrophobicContact CB-CB 3.94Å; C698-F723 VanDerWaalsContact CB-O 3.28Å; C698-F723 WeakPolarHBondContact CB-O 3.05Å; D699-F723 HydrophobicContact CB-CB 3.92Å; D699-F723 HydrophobicContact CB-CD2 3.46Å; D699-F723 VanDerWaalsContact CB-CD2 3.46Å; D699-F723 HydrophobicContact CB-CE2 4.26Å; D699-F723 HydrophobicContact CB-CG 3.93Å; F721-F723 PolarHBondContact O-N 3.43Å; F723-R725 VanDerWaalsContact C-NH1 3.35Å; F723-R725 WeakPolarHBondContact O-CG 3.28Å; F723-R725 VanDerWaalsContact O-CZ 3.22Å; F723-R725 PolarHBondContact O-NE 2.92Å; F723-R725 PolarHBondContact O-NH1 3.48Å; F723-V737 HydrophobicContact CD1-CB 3.97Å; F723-V737 HydrophobicContact CD1-CG1 4.25Å
724	A	81.2	Confident	74.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.			trans	-64.4	146.5	-170.9	0	0	0	0	0	112.7	I626 V696 H697 F721	I626-A724 HydrophobicContact CD1-CB 4.05Å; I626-A724 WeakPolarHBondContact CD1-O 3.36Å; V696-A724 CarbonylContact O-C 3.55Å; V696-A724 WeakPolarHBondContact O-CA 3.49Å; V696-A724 WeakPolarHBondContact O-CB 3.13Å; H697-A724 WeakPolarHBondContact O-CA 3.21Å; H697-A724 PolarHBondContact O-N 2.99Å; F721-A724 HydrophobicContact CB-CB 4Å; F721-A724 HydrophobicContact CD1-CB 3.81Å; F721-A724 HydrophobicContact CG-CB 4.37Å; F721-A724 WeakPolarHBondContact O-CB 3.39Å; F721-A724 PolarHBondContact O-N 3.38Å
725	R	81.3	Confident	72.5	Confident	31 Å²	31	53.3 Å²	53.3	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	-176.2	-56.4	-63.8	171.3	-110.6	0.3	110.6	V696 G722 F723 I727	V696-R725 PolarHBondContact N-O 2.73Å; V696-R725 PolarHBondContact O-N 3.41Å; G722-R725 PolarHBondContact O-NH1 2.74Å; G722-R725 PolarHBondContact O-NH2 3.41Å; F723-R725 VanDerWaalsContact C-NH1 3.35Å; F723-R725 WeakPolarHBondContact O-CG 3.28Å; F723-R725 VanDerWaalsContact O-CZ 3.22Å; F723-R725 PolarHBondContact O-NE 2.92Å; F723-R725 PolarHBondContact O-NH1 3.48Å; R725-I727 HydrophobicContact CB-CD1 4.13Å; R725-I727 HydrophobicContact CB-CG1 3.94Å; R725-I727 PolarHBondContact O-N 2.69Å
726	I	79.8	Confident	70.5	Confident	102 Å²	102	57.2 Å²	57.2	52%	0.523	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.6	162.6	-55.3	174.4	0	0	0	108	N694 I695	N694-I726 HydrophobicContact CB-CG2 4.48Å; N694-I726 CarbonylContact O-C 3.53Å; N694-I726 WeakPolarHBondContact O-CA 3.23Å; I695-I726 HydrophobicContact CG1-CG1 4.19Å
727	I	77.5	Confident	68.4	Low	9 Å²	9	57.7 Å²	57.7	5%	0.046	28%	0.28	C	S	.	.			trans	-140.5	107.3	-179.8	-53.2	-179.7	0	0	0	107.9	N694 V696 R725 S731 R733 Y753	N694-I727 PolarHBondContact O-N 3.24Å; V696-I727 HydrophobicContact CB-CD1 4.24Å; V696-I727 HydrophobicContact CG2-CB 4.05Å; V696-I727 HydrophobicContact CG2-CD1 4.12Å; V696-I727 HydrophobicContact CG2-CG1 4.27Å; R725-I727 HydrophobicContact CB-CD1 4.13Å; R725-I727 HydrophobicContact CB-CG1 3.94Å; R725-I727 PolarHBondContact O-N 2.69Å; I727-S731 WeakPolarHBondContact CG2-O 3.39Å; I727-R733 HydrophobicContact CD1-CB 4.29Å; I727-R733 HydrophobicContact CD1-CG 3.74Å; I727-R733 HydrophobicContact CG1-CG 4Å; I727-Y753 HydrophobicContact CD1-CD2 3.89Å; I727-Y753 HydrophobicContact CD1-CE2 3.45Å; I727-Y753 VanDerWaalsContact CD1-CE2 3.45Å
728	G	61	Low	66.4	Low	26 Å²	26	57 Å²	57	27%	0.268	28%	0.278	S	S	.	.			trans	-59.8	153.4	176.1	0	0	0	0	0	112.6	N694 K730 S731	N694-G728 WeakPolarHBondContact OD1-CA 3.22Å; G728-K730 PolarHBondContact O-N 2.84Å; G728-S731 VanDerWaalsContact O-CB 3.29Å; G728-S731 WeakPolarHBondContact O-CB 3.26Å; G728-S731 PolarHBondContact O-N 3.1Å
729	E	57.4	Low	64.7	Low	119 Å²	119	58.1 Å²	58.1	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.2	-171.1	-51.7	-161.1	117	0	0	116	N694 R755	N694-E729 WeakPolarHBondContact OD1-CG 3.4Å; N694-E729 PolarHBondContact OD1-N 3.19Å; E729-R755 IonicContact OE1-CZ 2.69Å; E729-R755 IonicContact OE1-NH1 2.66Å; E729-R755 PolarHBondContact OE1-NH1 3.41Å; E729-R755 IonicContact OE1-NH2 3.24Å; E729-R755 PolarHBondContact OE1-NH2 3.23Å
730	K	53.2	Low	63.5	Low	195 Å²	195	59 Å²	59	85%	0.848	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	5.3	179.2	-61.6	177.1	-176.3	172.7	0	113.2	G728	G728-K730 PolarHBondContact O-N 2.84Å
731	S	42.9	Very low	62.7	Low	61 Å²	61	57.8 Å²	57.8	43%	0.427	29%	0.285	S	S	.	.			trans	-96	152.4	-176.2	-54.9	0	0	0	0	112.4	I727 G728	I727-S731 WeakPolarHBondContact CG2-O 3.39Å; G728-S731 VanDerWaalsContact O-CB 3.29Å; G728-S731 WeakPolarHBondContact O-CB 3.26Å; G728-S731 PolarHBondContact O-N 3.1Å
732	F	49.2	Very low	62.3	Low	119 Å²	119	58.2 Å²	58.2	52%	0.522	29%	0.286	S	S	.	.			trans	-134.2	135.4	-179.9	-67.5	-84.4	0	0	0	111.4	Y753 N754 M817	F732-Y753 WeakPolarHBondContact CA-O 3.33Å; F732-N754 HydrophobicContact CD1-CB 4.48Å; F732-N754 HydrophobicContact CE1-CB 4.45Å; F732-M817 HydrophobicContact CE1-CE 4.36Å
733	R	55.8	Low	62.6	Low	124 Å²	124	58.7 Å²	58.7	47%	0.468	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-106.3	145.6	175.9	-74.1	-78	-170.5	158	2	111.6	I727 G752 Y753	I727-R733 HydrophobicContact CD1-CB 4.29Å; I727-R733 HydrophobicContact CD1-CG 3.74Å; I727-R733 HydrophobicContact CG1-CG 4Å; R733-G752 CarbonylContact O-C 3.54Å; R733-G752 VanDerWaalsContact O-CA 3.23Å; R733-G752 WeakPolarHBondContact O-CA 3.15Å; R733-Y753 HydrophobicContact CB-CD1 3.97Å; R733-Y753 HydrophobicContact CB-CD2 4.27Å; R733-Y753 HydrophobicContact CB-CE1 3.42Å; R733-Y753 VanDerWaalsContact CB-CE1 3.42Å; R733-Y753 HydrophobicContact CB-CE2 3.86Å; R733-Y753 HydrophobicContact CB-CG 4.37Å; R733-Y753 VanDerWaalsContact CB-CZ 3.4Å; R733-Y753 HydrophobicContact CG-CE2 4.47Å; R733-Y753 PolarHBondContact N-O 2.66Å; R733-Y753 VanDerWaalsContact N-O 3.13Å; R733-Y753 WeakPolarHBondContact O-CD1 3.25Å; R733-Y753 WeakPolarHBondContact O-CE1 3.15Å; R733-Y753 PolarHBondContact O-N 2.9Å
734	R	46.1	Very low	63.2	Low	193 Å²	193	58 Å²	58	73%	0.728	29%	0.286	S	S	*	.			trans	-121.2	62.9	-177.3	-64.1	-172.5	-169.3	161.9	3.5	111.5	N750	R734-N750 WeakPolarHBondContact CA-OD1 3.45Å; R734-N750 WeakPolarHBondContact CB-OD1 3.46Å; R734-N750 PolarHBondContact O-OD1 2.74Å
735	S	50.3	Low	63.4	Low	46 Å²	46	58 Å²	58	32%	0.322	29%	0.286	S	S	.	.			trans	-145.2	127.4	-176.6	51.7	0	0	0	0	111	V737 Y753	S735-V737 PolarHBondContact O-N 3.26Å; S735-Y753 VanDerWaalsContact O-CE1 3.22Å; S735-Y753 WeakPolarHBondContact O-CE1 3.38Å; S735-Y753 PolarHBondContact OG-OH 3.26Å
736	V	54.9	Low	63.5	Low	96 Å²	96	56.9 Å²	56.9	58%	0.582	28%	0.282	S	S	*	.			trans	-69.8	117.1	175.5	-175.4	0	0	0	0	109.2	V747	V736-V747 HydrophobicContact CG1-CG1 4.42Å
737	V	55.4	Low	63.5	Low	11 Å²	11	52.2 Å²	52.2	7%	0.067	26%	0.258	C	S	.	.			trans	-137.7	161.2	-179.9	-67.8	0	0	0	0	108.8	C698 F723 S735 L743 Y753	C698-V737 HydrophobicContact CB-CG2 3.91Å; F723-V737 HydrophobicContact CD1-CB 3.97Å; F723-V737 HydrophobicContact CD1-CG1 4.25Å; S735-V737 PolarHBondContact O-N 3.26Å; V737-L743 WeakPolarHBondContact O-CD2 3.39Å; V737-Y753 HydrophobicContact CG2-CE1 4.25Å; V737-Y753 HydrophobicContact CG2-CE2 4.44Å; V737-Y753 WeakPolarHBondContact CG2-OH 3.46Å
738	G	55.4	Low	63.4	Low	1 Å²	1	54 Å²	54	1%	0.01	27%	0.267	C	S	.	.	S	Bend	trans	87.4	-179.2	-179.1	0	0	0	0	0	114.6	R156 C698 D699	R156-G738 VanDerWaalsContact CZ-O 3.22Å; R156-G738 PolarHBondContact NH1-O 3.19Å; R156-G738 PolarHBondContact NH2-O 3.45Å; C698-G738 WeakPolarHBondContact O-CA 3.22Å; C698-G738 PolarHBondContact O-N 2.7Å; D699-G738 VanDerWaalsContact OD1-C 3.32Å; D699-G738 VanDerWaalsContact OD1-CA 3.26Å; D699-G738 WeakPolarHBondContact OD1-CA 3.46Å
739	T	59.1	Low	63.8	Low	23 Å²	23	56.6 Å²	56.6	14%	0.141	27%	0.269	C	S	.	.			trans	-100.9	123.9	-174.4	-62.4	0	0	0	0	111.2	D699 K701 A741 Y742	D699-T739 VanDerWaalsContact OD1-CB 3.29Å; D699-T739 WeakPolarHBondContact OD1-CB 3.19Å; D699-T739 PolarHBondContact OD1-N 3.49Å; D699-T739 PolarHBondContact OD1-OG1 3.14Å; D699-T739 PolarHBondContact OD2-OG1 3.16Å; K701-T739 HydrophobicContact CD-CG2 4.42Å; T739-A741 PolarHBondContact O-N 3.29Å; T739-A741 VanDerWaalsContact O-N 3.1Å; T739-Y742 HydrophobicContact CG2-CD2 4.09Å; T739-Y742 HydrophobicContact CG2-CE2 4.48Å; T739-Y742 PolarHBondContact O-N 2.78Å
740	P	64.1	Low	64.1	Low	37 Å²	37	54.9 Å²	54.9	24%	0.24	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-49.6	-40.2	-164	-37.2	42.5	0	0	0	119.1	V155 Y742 L743	V155-P740 HydrophobicContact CB-CG 4.5Å; V155-P740 HydrophobicContact CG1-CB 4.06Å; V155-P740 HydrophobicContact CG1-CG 3.69Å; V155-P740 HydrophobicContact CG2-CB 4.24Å; P740-Y742 PolarHBondContact O-N 3.48Å; P740-Y742 VanDerWaalsContact O-N 3.17Å; P740-L743 HydrophobicContact CB-CD1 4.26Å; P740-L743 HydrophobicContact CG-CD1 4.23Å; P740-L743 PolarHBondContact O-N 3.03Å
741	A	64.8	Low	64.5	Low	5 Å²	5	53.4 Å²	53.4	4%	0.041	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.5	-15.3	177.6	0	0	0	0	0	114.6	T739 F774	T739-A741 PolarHBondContact O-N 3.29Å; T739-A741 VanDerWaalsContact O-N 3.1Å; A741-F774 HydrophobicContact CB-CD1 3.73Å; A741-F774 HydrophobicContact CB-CE1 3.69Å
742	Y	74.6	Confident	65.6	Low	8 Å²	8	50.6 Å²	50.6	3%	0.031	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-109.4	5.4	180	-59.1	-83.7	0	0	0	113.5	K701 P702 T739 P740 S761 V764 F774	K701-Y742 HydrophobicContact CB-CD1 4.15Å; K701-Y742 HydrophobicContact CB-CD2 3.76Å; K701-Y742 HydrophobicContact CB-CE1 4.02Å; K701-Y742 HydrophobicContact CB-CE2 3.58Å; K701-Y742 HydrophobicContact CB-CG 4.04Å; K701-Y742 HydrophobicContact CD-CD2 4.35Å; K701-Y742 HydrophobicContact CD-CE2 4.2Å; P702-Y742 WeakPolarHBondContact CD-OH 3.47Å; T739-Y742 HydrophobicContact CG2-CD2 4.09Å; T739-Y742 HydrophobicContact CG2-CE2 4.48Å; T739-Y742 PolarHBondContact O-N 2.78Å; P740-Y742 PolarHBondContact O-N 3.48Å; P740-Y742 VanDerWaalsContact O-N 3.17Å; Y742-S761 PolarHBondContact O-OG 3.27Å; Y742-V764 HydrophobicContact CD1-CB 3.91Å; Y742-V764 HydrophobicContact CD1-CG1 3.44Å; Y742-V764 VanDerWaalsContact CD1-CG1 3.44Å; Y742-V764 HydrophobicContact CE1-CB 4.44Å; Y742-V764 HydrophobicContact CE1-CG1 3.68Å; Y742-V764 HydrophobicContact CG-CG1 4.39Å; Y742-F774 HydrophobicContact CE1-CE1 4.07Å; Y742-F774 AromaticContact CE2-CE1 3.96Å; Y742-F774 HydrophobicContact CE2-CE1 3.96Å; Y742-F774 HydrophobicContact CE2-CZ 4.38Å; Y742-F774 AromaticContact CZ-CE1 3.59Å
743	L	78.2	Confident	66.8	Low	10 Å²	10	45 Å²	45	5%	0.052	21%	0.213	C	C	.	.			trans	-77.4	134.7	-172.5	-66.9	-177.3	0	0	0	113.7	V737 P740 V747 L748 W760 I786	V737-L743 WeakPolarHBondContact O-CD2 3.39Å; P740-L743 HydrophobicContact CB-CD1 4.26Å; P740-L743 HydrophobicContact CG-CD1 4.23Å; P740-L743 PolarHBondContact O-N 3.03Å; L743-V747 HydrophobicContact CD2-CG1 4.47Å; L743-L748 HydrophobicContact CB-CD2 4.43Å; L743-L748 HydrophobicContact CD1-CD2 3.79Å; L743-W760 PolarHBondContact O-NE1 3.01Å; L743-I786 WeakPolarHBondContact O-CG2 3.48Å
744	A	84.1	Confident	68.2	Low	1 Å²	1	40.5 Å²	40.5	1%	0.008	20%	0.199	C	C	.	.			trans	-75	147.3	173.1	0	0	0	0	0	112.1	E746 V747 L757 W760	A744-E746 VanDerWaalsContact C-N 3.25Å; A744-E746 VanDerWaalsContact CB-CD 3.49Å; A744-E746 HydrophobicContact CB-CG 4.36Å; A744-E746 WeakPolarHBondContact CB-OE1 3.42Å; A744-E746 PolarHBondContact O-N 3.29Å; A744-E746 VanDerWaalsContact O-N 3.13Å; A744-V747 HydrophobicContact CB-CG2 4.42Å; A744-V747 WeakPolarHBondContact O-CB 3.38Å; A744-V747 PolarHBondContact O-N 3.08Å; A744-L757 HydrophobicContact CB-CB 4.12Å; A744-W760 HydrophobicContact CB-CB 3.81Å; A744-W760 HydrophobicContact CB-CD2 4.31Å; A744-W760 HydrophobicContact CB-CG 3.77Å
745	P	85.8	Confident	70.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-30.1	-173.5	-27.5	37.3	0	0	0	114.9	V747 R749 W760 I786 V815	P745-V747 VanDerWaalsContact C-N 3.29Å; P745-V747 PolarHBondContact O-N 2.68Å; P745-R749 WeakPolarHBondContact O-CB 3.46Å; P745-R749 WeakPolarHBondContact O-CD 3.16Å; P745-R749 VanDerWaalsContact O-CG 3.31Å; P745-R749 WeakPolarHBondContact O-CG 3.3Å; P745-R749 PolarHBondContact O-N 3.13Å; P745-R749 VanDerWaalsContact O-N 3.09Å; P745-W760 HydrophobicContact CG-CE3 4.17Å; P745-W760 HydrophobicContact CG-CH2 3.47Å; P745-W760 VanDerWaalsContact CG-CH2 3.47Å; P745-W760 HydrophobicContact CG-CZ2 3.93Å; P745-W760 HydrophobicContact CG-CZ3 3.6Å; P745-I786 HydrophobicContact CB-CG2 4.29Å; P745-I786 HydrophobicContact CG-CG2 3.84Å; P745-I786 VanDerWaalsContact CG-O 3.26Å; P745-I786 WeakPolarHBondContact CG-O 3.4Å; P745-V815 HydrophobicContact CB-CG1 4.23Å; P745-V815 HydrophobicContact CG-CG1 4.41Å
746	E	83.8	Confident	72.2	Confident	9 Å²	9	34 Å²	34	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-26	176.5	59.9	-89.7	-158.7	0	0	113.9	A744 N750 M817 R820	A744-E746 VanDerWaalsContact C-N 3.25Å; A744-E746 VanDerWaalsContact CB-CD 3.49Å; A744-E746 HydrophobicContact CB-CG 4.36Å; A744-E746 WeakPolarHBondContact CB-OE1 3.42Å; A744-E746 PolarHBondContact O-N 3.29Å; A744-E746 VanDerWaalsContact O-N 3.13Å; E746-N750 PolarHBondContact O-N 3.35Å; E746-M817 HydrophobicContact CB-CE 3.95Å; E746-M817 HydrophobicContact CB-CG 4.44Å; E746-M817 HydrophobicContact CB-SD 4Å; E746-M817 HydrophobicContact CG-CE 4.35Å; E746-M817 HydrophobicContact CG-CG 4.15Å; E746-M817 HydrophobicContact CG-SD 3.72Å; E746-R820 IonicContact OE1-CZ 3.14Å; E746-R820 IonicContact OE1-NH1 3.26Å; E746-R820 PolarHBondContact OE1-NH1 2.84Å; E746-R820 IonicContact OE1-NH2 2.75Å; E746-R820 PolarHBondContact OE1-NH2 3.23Å; E746-R820 IonicContact OE2-CZ 3.8Å; E746-R820 IonicContact OE2-NH1 2.9Å; E746-R820 IonicContact OE2-NH2 2.89Å; E746-R820 PolarHBondContact OE2-NH2 3.43Å
747	V	80.8	Confident	73.9	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-73.9	-47.5	176.9	-175.8	0	0	0	0	109.7	V736 L743 A744 P745 R749 N750 Y753	V736-V747 HydrophobicContact CG1-CG1 4.42Å; L743-V747 HydrophobicContact CD2-CG1 4.47Å; A744-V747 HydrophobicContact CB-CG2 4.42Å; A744-V747 WeakPolarHBondContact O-CB 3.38Å; A744-V747 PolarHBondContact O-N 3.08Å; P745-V747 VanDerWaalsContact C-N 3.29Å; P745-V747 PolarHBondContact O-N 2.68Å; V747-R749 VanDerWaalsContact C-N 3.33Å; V747-R749 PolarHBondContact O-N 3.36Å; V747-N750 PolarHBondContact O-N 2.86Å; V747-Y753 HydrophobicContact CG2-CD1 4.33Å; V747-Y753 HydrophobicContact CG2-CG 4.31Å
748	L	73.6	Confident	75.8	Confident	46 Å²	46	29.2 Å²	29.2	24%	0.241	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-42.3	175.6	-61.3	-176.5	0	0	0	111.9	L743 N750 N783 I786	L743-L748 HydrophobicContact CB-CD2 4.43Å; L743-L748 HydrophobicContact CD1-CD2 3.79Å; L748-N750 PolarHBondContact O-N 3.39Å; L748-N783 HydrophobicContact CD1-CB 4.3Å; L748-I786 HydrophobicContact CD1-CB 3.9Å; L748-I786 HydrophobicContact CD1-CD1 4.18Å; L748-I786 HydrophobicContact CD1-CG2 3.56Å; L748-I786 HydrophobicContact CG-CG2 4.49Å
749	R	70.8	Confident	77.8	Confident	82 Å²	82	29.2 Å²	29.2	31%	0.309	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.9	-179.4	-72	170.1	164.9	145.8	-3	114.2	P745 V747 K751 Q787	P745-R749 WeakPolarHBondContact O-CB 3.46Å; P745-R749 WeakPolarHBondContact O-CD 3.16Å; P745-R749 VanDerWaalsContact O-CG 3.31Å; P745-R749 WeakPolarHBondContact O-CG 3.3Å; P745-R749 PolarHBondContact O-N 3.13Å; P745-R749 VanDerWaalsContact O-N 3.09Å; V747-R749 VanDerWaalsContact C-N 3.33Å; V747-R749 PolarHBondContact O-N 3.36Å; R749-K751 HydrophobicContact CB-CD 4.43Å; R749-K751 HydrophobicContact CB-CG 4.2Å; R749-K751 WeakPolarHBondContact O-CG 3.37Å; R749-K751 PolarHBondContact O-N 3.37Å; R749-Q787 HydrophobicContact CG-CG 4.13Å; R749-Q787 VanDerWaalsContact CG-OE1 3.29Å; R749-Q787 VanDerWaalsContact CZ-O 3.27Å; R749-Q787 PolarHBondContact NH1-O 3.39Å; R749-Q787 VanDerWaalsContact NH2-CB 3.34Å; R749-Q787 PolarHBondContact NH2-O 2.82Å
750	N	63.2	Low	79.5	Confident	82 Å²	82	28.1 Å²	28.1	44%	0.439	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	21.7	-178.9	-158.2	20.6	0	0	0	115.3	R734 E746 V747 L748	R734-N750 WeakPolarHBondContact CA-OD1 3.45Å; R734-N750 WeakPolarHBondContact CB-OD1 3.46Å; R734-N750 PolarHBondContact O-OD1 2.74Å; E746-N750 PolarHBondContact O-N 3.35Å; V747-N750 PolarHBondContact O-N 2.86Å; L748-N750 PolarHBondContact O-N 3.39Å
751	K	60.9	Low	81	Confident	164 Å²	164	26.6 Å²	26.6	71%	0.713	12%	0.123	S	C	*	.	S	Bend	trans	-79.5	-18.9	-173.5	-74.4	-173.4	178.4	-176.8	0	113.5	R749	R749-K751 HydrophobicContact CB-CD 4.43Å; R749-K751 HydrophobicContact CB-CG 4.2Å; R749-K751 WeakPolarHBondContact O-CG 3.37Å; R749-K751 PolarHBondContact O-N 3.37Å
752	G	66.5	Low	82.6	Confident	2 Å²	2	26.4 Å²	26.4	2%	0.021	12%	0.122	C	C	.	.			trans	125.3	120.3	-169.9	0	0	0	0	0	110.9	R733	R733-G752 CarbonylContact O-C 3.54Å; R733-G752 VanDerWaalsContact O-CA 3.23Å; R733-G752 WeakPolarHBondContact O-CA 3.15Å
753	Y	75.6	Confident	83.7	Confident	2 Å²	2	26 Å²	26	1%	0.008	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-111.9	157.6	173.3	68.9	-97.8	0	0	0	112.2	I727 F732 R733 S735 V737 V747 L757	I727-Y753 HydrophobicContact CD1-CD2 3.89Å; I727-Y753 HydrophobicContact CD1-CE2 3.45Å; I727-Y753 VanDerWaalsContact CD1-CE2 3.45Å; F732-Y753 WeakPolarHBondContact CA-O 3.33Å; R733-Y753 HydrophobicContact CB-CD1 3.97Å; R733-Y753 HydrophobicContact CB-CD2 4.27Å; R733-Y753 HydrophobicContact CB-CE1 3.42Å; R733-Y753 VanDerWaalsContact CB-CE1 3.42Å; R733-Y753 HydrophobicContact CB-CE2 3.86Å; R733-Y753 HydrophobicContact CB-CG 4.37Å; R733-Y753 VanDerWaalsContact CB-CZ 3.4Å; R733-Y753 HydrophobicContact CG-CE2 4.47Å; R733-Y753 PolarHBondContact N-O 2.66Å; R733-Y753 VanDerWaalsContact N-O 3.13Å; R733-Y753 WeakPolarHBondContact O-CD1 3.25Å; R733-Y753 WeakPolarHBondContact O-CE1 3.15Å; R733-Y753 PolarHBondContact O-N 2.9Å; S735-Y753 VanDerWaalsContact O-CE1 3.22Å; S735-Y753 WeakPolarHBondContact O-CE1 3.38Å; S735-Y753 PolarHBondContact OG-OH 3.26Å; V737-Y753 HydrophobicContact CG2-CE1 4.25Å; V737-Y753 HydrophobicContact CG2-CE2 4.44Å; V737-Y753 WeakPolarHBondContact CG2-OH 3.46Å; V747-Y753 HydrophobicContact CG2-CD1 4.33Å; V747-Y753 HydrophobicContact CG2-CG 4.31Å; Y753-L757 HydrophobicContact CD2-CD2 3.26Å; Y753-L757 HydrophobicContact CE2-CD2 3.63Å; Y753-L757 HydrophobicContact CG-CD2 4.06Å
754	N	83.4	Confident	84.4	Confident	30 Å²	30	25.5 Å²	25.5	16%	0.16	12%	0.118	C	C	.	.			trans	-141.9	-168.1	176.9	70.9	16.3	0	0	0	110.5	F732 S756 L757	F732-N754 HydrophobicContact CD1-CB 4.48Å; F732-N754 HydrophobicContact CE1-CB 4.45Å; N754-S756 PolarHBondContact O-N 3.03Å; N754-S756 WeakPolarHBondContact OD1-CB 3.39Å; N754-S756 PolarHBondContact OD1-N 2.88Å; N754-S756 PolarHBondContact OD1-OG 3.11Å; N754-L757 PolarHBondContact O-N 2.65Å; N754-L757 VanDerWaalsContact O-N 3.09Å
755	R	89.2	Confident	85	Confident	86 Å²	86	25.5 Å²	25.5	33%	0.325	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.7	-177.9	69.5	173.3	171.6	-139.9	-4.1	116.2	H691 V696 E729 L757 D758	H691-R755 PolarHBondContact CE1-O 3.17Å; H691-R755 PolarHBondContact O-NH1 2.87Å; V696-R755 HydrophobicContact CG2-CB 3.77Å; E729-R755 IonicContact OE1-CZ 2.69Å; E729-R755 IonicContact OE1-NH1 2.66Å; E729-R755 PolarHBondContact OE1-NH1 3.41Å; E729-R755 IonicContact OE1-NH2 3.24Å; E729-R755 PolarHBondContact OE1-NH2 3.23Å; R755-L757 PolarHBondContact O-N 3.25Å; R755-D758 PolarHBondContact O-N 3.44Å
756	S	91.6	Very high	85.6	Confident	16 Å²	16	25.5 Å²	25.5	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-66.5	-13.8	175.5	66.6	0	0	0	0	114.2	N754 M759 W760 M817 R820	N754-S756 PolarHBondContact O-N 3.03Å; N754-S756 WeakPolarHBondContact OD1-CB 3.39Å; N754-S756 PolarHBondContact OD1-N 2.88Å; N754-S756 PolarHBondContact OD1-OG 3.11Å; S756-M759 WeakPolarHBondContact O-CB 3.42Å; S756-M759 PolarHBondContact O-N 3.42Å; S756-W760 PolarHBondContact O-N 3.3Å; S756-M817 WeakPolarHBondContact OG-CG 3.23Å; S756-R820 VanDerWaalsContact C-NH1 3.34Å; S756-R820 WeakPolarHBondContact O-CD 3.33Å; S756-R820 PolarHBondContact O-NH1 2.81Å
757	L	91.6	Very high	86.1	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-41.3	176.3	92.1	87.7	0	0	0	111.5	V696 A744 Y753 N754 R755 M759 W760 S761	V696-L757 HydrophobicContact CG1-CD2 3.65Å; V696-L757 HydrophobicContact CG1-CG 4.01Å; A744-L757 HydrophobicContact CB-CB 4.12Å; Y753-L757 HydrophobicContact CD2-CD2 3.26Å; Y753-L757 HydrophobicContact CE2-CD2 3.63Å; Y753-L757 HydrophobicContact CG-CD2 4.06Å; N754-L757 PolarHBondContact O-N 2.65Å; N754-L757 VanDerWaalsContact O-N 3.09Å; R755-L757 PolarHBondContact O-N 3.25Å; L757-M759 PolarHBondContact O-N 3.39Å; L757-W760 WeakPolarHBondContact O-CB 3.42Å; L757-W760 PolarHBondContact O-N 3.23Å; L757-W760 VanDerWaalsContact O-N 3.08Å; L757-S761 PolarHBondContact O-N 3.46Å; L757-S761 PolarHBondContact O-OG 2.98Å
758	D	94.7	Very high	86.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-178	-63.6	-25.3	0	0	0	109.8	L687 H691 V696 H697 C698 R755 W760 S761 V762	L687-D758 HydrophobicContact CD1-CB 4.37Å; L687-D758 HydrophobicContact CD2-CB 3.94Å; H691-D758 IonicContact CD2-OD2 1.78Å; H691-D758 IonicContact CE1-OD2 3.76Å; H691-D758 IonicContact NE2-OD2 2.65Å; H691-D758 PolarHBondContact NE2-OD2 2.85Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.32Å; H697-D758 PolarHBondContact N-OD1 3.2Å; H697-D758 PolarHBondContact N-OD2 2.9Å; C698-D758 PolarHBondContact N-OD1 2.82Å; R755-D758 PolarHBondContact O-N 3.44Å; D758-W760 PolarHBondContact O-N 3.44Å; D758-S761 CarbonylContact O-C 3.53Å; D758-S761 WeakPolarHBondContact O-CB 3.38Å; D758-S761 PolarHBondContact O-N 2.9Å; D758-V762 WeakPolarHBondContact O-CG2 3.4Å; D758-V762 PolarHBondContact O-N 3.19Å
759	M	97.4	Very high	87.4	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-32.6	176.4	-56.3	-55.6	-55.2	0	0	113.1	L684 L687 S756 L757 V762 G763 L812 R820 Y821 V823 T826	L684-M759 HydrophobicContact CD2-CE 3.61Å; L684-M759 HydrophobicContact CD2-SD 4.27Å; L687-M759 HydrophobicContact CD1-SD 4.39Å; S756-M759 WeakPolarHBondContact O-CB 3.42Å; S756-M759 PolarHBondContact O-N 3.42Å; L757-M759 PolarHBondContact O-N 3.39Å; M759-V762 PolarHBondContact O-N 2.68Å; M759-G763 PolarHBondContact O-N 3.29Å; M759-G763 VanDerWaalsContact O-N 3.1Å; M759-L812 HydrophobicContact CB-CD2 4.16Å; M759-L812 HydrophobicContact CE-CD2 3.63Å; M759-R820 HydrophobicContact CB-CG 4.47Å; M759-Y821 WeakPolarHBondContact CG-O 3.43Å; M759-V823 HydrophobicContact CE-CG2 4.44Å; M759-V823 HydrophobicContact SD-CB 4.35Å; M759-V823 HydrophobicContact SD-CG2 3.5Å; M759-V823 WeakPolarHBondContact SD-CG2 3.48Å; M759-T826 HydrophobicContact CE-CG2 4.25Å; M759-T826 WeakPolarHBondContact CE-OG1 3.27Å
760	W	95.9	Very high	88.5	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-45.1	170.6	172.5	-81.8	0	0	0	110.2	L743 A744 P745 S756 L757 D758 V762 G763 V764 F776 I786 A789 L813	L743-W760 PolarHBondContact O-NE1 3.01Å; A744-W760 HydrophobicContact CB-CB 3.81Å; A744-W760 HydrophobicContact CB-CD2 4.31Å; A744-W760 HydrophobicContact CB-CG 3.77Å; P745-W760 HydrophobicContact CG-CE3 4.17Å; P745-W760 HydrophobicContact CG-CH2 3.47Å; P745-W760 VanDerWaalsContact CG-CH2 3.47Å; P745-W760 HydrophobicContact CG-CZ2 3.93Å; P745-W760 HydrophobicContact CG-CZ3 3.6Å; S756-W760 PolarHBondContact O-N 3.3Å; L757-W760 WeakPolarHBondContact O-CB 3.42Å; L757-W760 PolarHBondContact O-N 3.23Å; L757-W760 VanDerWaalsContact O-N 3.08Å; D758-W760 PolarHBondContact O-N 3.44Å; W760-V762 VanDerWaalsContact C-N 3.31Å; W760-V762 PolarHBondContact O-N 3.22Å; W760-G763 WeakPolarHBondContact O-CA 3.46Å; W760-G763 PolarHBondContact O-N 2.75Å; W760-V764 PolarHBondContact O-N 3.1Å; W760-F776 AromaticContact CH2-CZ 3.97Å; W760-F776 HydrophobicContact CH2-CZ 3.97Å; W760-F776 AromaticContact CZ2-CE2 3.78Å; W760-F776 HydrophobicContact CZ2-CE2 3.78Å; W760-F776 AromaticContact CZ2-CZ 3.44Å; W760-F776 HydrophobicContact CZ2-CZ 3.44Å; W760-F776 VanDerWaalsContact CZ2-CZ 3.44Å; W760-I786 HydrophobicContact CZ2-CG2 3.92Å; W760-A789 HydrophobicContact CH2-CB 4.27Å; W760-L813 HydrophobicContact CD2-CD2 3.8Å; W760-L813 HydrophobicContact CE3-CB 4.36Å; W760-L813 HydrophobicContact CE3-CD2 4.06Å; W760-L813 HydrophobicContact CG-CD2 4.18Å; W760-L813 HydrophobicContact CZ2-CD2 4.39Å; W760-L813 VanDerWaalsContact CZ3-C 3.4Å; W760-L813 HydrophobicContact CZ3-CB 4.18Å; W760-L813 HydrophobicContact CZ3-CD2 4.46Å; W760-L813 VanDerWaalsContact CZ3-O 3.26Å; W760-L813 WeakPolarHBondContact CZ3-O 3.27Å; W760-L813 WeakPolarHBondContact O-CD2 3.46Å
761	S	95.3	Very high	89.5	Confident	4 Å²	4	16 Å²	16	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-35	176.6	-52.5	0	0	0	0	112.3	L700 Y742 L757 D758 V764 I765	L700-S761 WeakPolarHBondContact O-CB 3.35Å; Y742-S761 PolarHBondContact O-OG 3.27Å; L757-S761 PolarHBondContact O-N 3.46Å; L757-S761 PolarHBondContact O-OG 2.98Å; D758-S761 CarbonylContact O-C 3.53Å; D758-S761 WeakPolarHBondContact O-CB 3.38Å; D758-S761 PolarHBondContact O-N 2.9Å; S761-V764 PolarHBondContact O-N 3.4Å; S761-I765 VanDerWaalsContact O-CG1 3.25Å; S761-I765 WeakPolarHBondContact O-CG1 3.5Å; S761-I765 PolarHBondContact O-N 3.49Å
762	V	98.3	Very high	90.4	Very high	1 Å²	1	10 Å²	10	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-42.9	168.4	174.3	0	0	0	0	111.5	V680 I683 L684 L687 L700 D758 M759 W760 V764 I765 I766 L812	V680-V762 HydrophobicContact CG1-CG1 4.1Å; I683-V762 HydrophobicContact CG2-CG2 4.09Å; L684-V762 HydrophobicContact CD2-CG1 4.37Å; L687-V762 HydrophobicContact CD1-CG2 3.57Å; L700-V762 HydrophobicContact CD2-CG2 3.64Å; D758-V762 WeakPolarHBondContact O-CG2 3.4Å; D758-V762 PolarHBondContact O-N 3.19Å; M759-V762 PolarHBondContact O-N 2.68Å; W760-V762 VanDerWaalsContact C-N 3.31Å; W760-V762 PolarHBondContact O-N 3.22Å; V762-V764 VanDerWaalsContact C-N 3.33Å; V762-V764 PolarHBondContact O-N 3.01Å; V762-I765 PolarHBondContact O-N 3.35Å; V762-I766 HydrophobicContact CG1-CD1 3.92Å; V762-I766 HydrophobicContact CG1-CG1 4.39Å; V762-I766 WeakPolarHBondContact O-CG1 3.19Å; V762-I766 PolarHBondContact O-N 3.11Å; V762-L812 HydrophobicContact CG1-CD1 4.15Å
763	G	97.8	Very high	90.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.9	-42.7	173.8	0	0	0	0	0	113.1	M759 W760 Y767	M759-G763 PolarHBondContact O-N 3.29Å; M759-G763 VanDerWaalsContact O-N 3.1Å; W760-G763 WeakPolarHBondContact O-CA 3.46Å; W760-G763 PolarHBondContact O-N 2.75Å; G763-Y767 PolarHBondContact O-N 3.33Å
764	V	93.3	Very high	91.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.1	-41.2	174.5	-177.8	0	0	0	0	111.4	Y742 W760 S761 V762 I766 Y767 V768 P775 F776 L813	Y742-V764 HydrophobicContact CD1-CB 3.91Å; Y742-V764 HydrophobicContact CD1-CG1 3.44Å; Y742-V764 VanDerWaalsContact CD1-CG1 3.44Å; Y742-V764 HydrophobicContact CE1-CB 4.44Å; Y742-V764 HydrophobicContact CE1-CG1 3.68Å; Y742-V764 HydrophobicContact CG-CG1 4.39Å; W760-V764 PolarHBondContact O-N 3.1Å; S761-V764 PolarHBondContact O-N 3.4Å; V762-V764 VanDerWaalsContact C-N 3.33Å; V762-V764 PolarHBondContact O-N 3.01Å; V764-I766 PolarHBondContact O-N 3.03Å; V764-Y767 PolarHBondContact O-N 3.33Å; V764-V768 HydrophobicContact CG1-CG2 4.1Å; V764-V768 WeakPolarHBondContact O-CB 3.43Å; V764-V768 VanDerWaalsContact O-CG2 3.3Å; V764-V768 WeakPolarHBondContact O-CG2 3.47Å; V764-V768 PolarHBondContact O-N 2.69Å; V764-P775 HydrophobicContact CG1-CG 4.07Å; V764-P775 HydrophobicContact CG2-CG 4.26Å; V764-F776 HydrophobicContact CG2-CE2 4.46Å; V764-L813 HydrophobicContact CG2-CD2 3.83Å
765	I	96.2	Very high	90.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176	-71.2	162.5	0	0	0	110.9	M659 I683 L700 P702 S761 V762 S769	M659-I765 HydrophobicContact CE-CG2 3.93Å; M659-I765 HydrophobicContact SD-CG2 3.89Å; I683-I765 HydrophobicContact CD1-CG2 4.33Å; L700-I765 HydrophobicContact CD2-CD1 4.01Å; L700-I765 HydrophobicContact CG-CD1 4Å; P702-I765 HydrophobicContact CG-CG1 4.13Å; S761-I765 VanDerWaalsContact O-CG1 3.25Å; S761-I765 WeakPolarHBondContact O-CG1 3.5Å; S761-I765 PolarHBondContact O-N 3.49Å; V762-I765 PolarHBondContact O-N 3.35Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.33Å; I765-S769 PolarHBondContact O-N 3.36Å; I765-S769 PolarHBondContact O-OG 3.4Å
766	I	98.2	Very high	90.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-48.4	176	-62.7	158	0	0	0	110	V680 V762 V764 V768 S769 L770 L808 I809 L812 W831	V680-I766 HydrophobicContact CG1-CD1 4.07Å; V680-I766 HydrophobicContact CG1-CG1 4.02Å; V680-I766 HydrophobicContact CG2-CG1 3.75Å; V762-I766 HydrophobicContact CG1-CD1 3.92Å; V762-I766 HydrophobicContact CG1-CG1 4.39Å; V762-I766 WeakPolarHBondContact O-CG1 3.19Å; V762-I766 PolarHBondContact O-N 3.11Å; V764-I766 PolarHBondContact O-N 3.03Å; I766-V768 PolarHBondContact O-N 3.47Å; I766-S769 PolarHBondContact O-N 2.8Å; I766-L770 HydrophobicContact CG2-CD1 3.84Å; I766-L770 HydrophobicContact CG2-CG 4.39Å; I766-L770 WeakPolarHBondContact O-CG 3.28Å; I766-L770 PolarHBondContact O-N 3.48Å; I766-L808 HydrophobicContact CD1-CD2 4.39Å; I766-I809 HydrophobicContact CB-CG1 4.13Å; I766-I809 HydrophobicContact CG2-CD1 3.87Å; I766-I809 HydrophobicContact CG2-CG1 3.66Å; I766-L812 HydrophobicContact CD1-CD1 3.46Å; I766-L812 VanDerWaalsContact CD1-CD1 3.46Å; I766-W831 HydrophobicContact CD1-CZ3 4.46Å; I766-W831 HydrophobicContact CG1-CZ3 4.46Å; I766-W831 HydrophobicContact CG2-CH2 3.88Å; I766-W831 HydrophobicContact CG2-CZ3 4.23Å
767	Y	94.6	Very high	88.9	Confident	6 Å²	6	13.6 Å²	13.6	2%	0.024	8%	0.082	C	C	.	.	H	α-helix	trans	-57.3	-52.3	179.5	-176.2	-76.2	0	0	0	111.7	G763 V764 S769 L770 S771 T773 F774 P775 M792 Y793 W798 I809	G763-Y767 PolarHBondContact O-N 3.33Å; V764-Y767 PolarHBondContact O-N 3.33Å; Y767-S769 VanDerWaalsContact C-N 3.33Å; Y767-S769 PolarHBondContact O-N 3.08Å; Y767-L770 PolarHBondContact O-N 3.01Å; Y767-S771 WeakPolarHBondContact CE1-OG 3.19Å; Y767-S771 WeakPolarHBondContact O-CB 3.4Å; Y767-S771 PolarHBondContact O-N 2.9Å; Y767-S771 PolarHBondContact O-OG 3.19Å; Y767-T773 VanDerWaalsContact CD1-O 3.29Å; Y767-T773 WeakPolarHBondContact CD1-O 3.45Å; Y767-T773 VanDerWaalsContact CE1-O 3.3Å; Y767-T773 WeakPolarHBondContact CE1-O 3.38Å; Y767-F774 VanDerWaalsContact CE1-C 3.41Å; Y767-F774 WeakPolarHBondContact CE1-O 3.48Å; Y767-P775 HydrophobicContact CD1-CB 3.8Å; Y767-P775 HydrophobicContact CD1-CG 4.13Å; Y767-P775 HydrophobicContact CD2-CB 3.99Å; Y767-P775 VanDerWaalsContact CE1-CA 3.5Å; Y767-P775 HydrophobicContact CE1-CB 3.96Å; Y767-P775 HydrophobicContact CE2-CB 4.12Å; Y767-P775 HydrophobicContact CG-CB 3.85Å; Y767-P775 HydrophobicContact CG-CG 4.28Å; Y767-M792 PolarHBondContact OH-O 2.79Å; Y767-M792 VanDerWaalsContact OH-O 3.09Å; Y767-Y793 HydrophobicContact CD2-CD1 4.41Å; Y767-Y793 HydrophobicContact CD2-CE1 4.02Å; Y767-Y793 AromaticContact CE2-CD1 3.95Å; Y767-Y793 HydrophobicContact CE2-CD1 3.95Å; Y767-Y793 AromaticContact CE2-CE1 3.99Å; Y767-Y793 HydrophobicContact CE2-CE1 3.99Å; Y767-W798 HydrophobicContact CD1-CZ2 4.24Å; Y767-W798 AromaticContact CD2-CH2 3.8Å; Y767-W798 HydrophobicContact CD2-CH2 3.8Å; Y767-W798 AromaticContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CE1-CZ2 4.21Å; Y767-W798 AromaticContact CE2-CE2 3.81Å; Y767-W798 HydrophobicContact CE2-CH2 4.18Å; Y767-W798 AromaticContact CE2-CZ2 3.36Å; Y767-W798 HydrophobicContact CE2-CZ2 3.36Å; Y767-W798 AromaticContact CE2-NE1 3.95Å; Y767-W798 HydrophobicContact CG-CH2 4.24Å; Y767-W798 AromaticContact CG-CZ2 3.82Å; Y767-W798 HydrophobicContact CG-CZ2 3.82Å; Y767-W798 AromaticContact CZ-CZ2 3.79Å; Y767-W798 AromaticContact CZ-NE1 3.85Å; Y767-I809 HydrophobicContact CD2-CG2 4.48Å
768	V	87.4	Confident	87.4	Confident	6 Å²	6	16.8 Å²	16.8	4%	0.036	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-41	-179.9	173.1	0	0	0	0	111	I663 V764 I766 L770 G772 T773 F774	I663-V768 HydrophobicContact CD1-CG1 4.49Å; V764-V768 HydrophobicContact CG1-CG2 4.1Å; V764-V768 WeakPolarHBondContact O-CB 3.43Å; V764-V768 VanDerWaalsContact O-CG2 3.3Å; V764-V768 WeakPolarHBondContact O-CG2 3.47Å; V764-V768 PolarHBondContact O-N 2.69Å; I766-V768 PolarHBondContact O-N 3.47Å; V768-L770 PolarHBondContact O-N 3.26Å; V768-G772 WeakPolarHBondContact O-CA 3.46Å; V768-G772 PolarHBondContact O-N 3.01Å; V768-T773 WeakPolarHBondContact CA-O 3.37Å; V768-T773 WeakPolarHBondContact CG2-O 3.26Å; V768-F774 HydrophobicContact CG2-CD1 3.87Å; V768-F774 HydrophobicContact CG2-CE1 3.99Å; V768-F774 HydrophobicContact CG2-CG 4.3Å; V768-F774 HydrophobicContact CG2-CZ 4.48Å
769	S	93.8	Very high	85.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-41	179.3	-59.4	0	0	0	0	112.8	M659 R670 L671 I765 I766 Y767	M659-S769 WeakPolarHBondContact CE-OG 3.35Å; R670-S769 WeakPolarHBondContact CB-O 3.49Å; L671-S769 PolarHBondContact N-O 3.03Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.33Å; I765-S769 PolarHBondContact O-N 3.36Å; I765-S769 PolarHBondContact O-OG 3.4Å; I766-S769 PolarHBondContact O-N 2.8Å; Y767-S769 VanDerWaalsContact C-N 3.33Å; Y767-S769 PolarHBondContact O-N 3.08Å
770	L	94.1	Very high	83.9	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-83	-31	-177.4	-62.9	179.1	0	0	0	113.2	R670 E673 T676 I766 Y767 V768 W798 V801 A805 W831	R670-L770 WeakPolarHBondContact CD-O 3.43Å; R670-L770 PolarHBondContact NH1-O 3.35Å; E673-L770 HydrophobicContact CB-CD2 4.35Å; E673-L770 HydrophobicContact CG-CD1 4.37Å; E673-L770 HydrophobicContact CG-CD2 3.59Å; T676-L770 HydrophobicContact CG2-CD2 4.03Å; T676-L770 HydrophobicContact CG2-CG 4.22Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.33Å; I766-L770 HydrophobicContact CG2-CD1 3.84Å; I766-L770 HydrophobicContact CG2-CG 4.39Å; I766-L770 WeakPolarHBondContact O-CG 3.28Å; I766-L770 PolarHBondContact O-N 3.48Å; Y767-L770 PolarHBondContact O-N 3.01Å; V768-L770 PolarHBondContact O-N 3.26Å; L770-W798 HydrophobicContact CB-CH2 4.04Å; L770-W798 HydrophobicContact CB-CZ3 4.39Å; L770-W798 HydrophobicContact CD1-CH2 4.41Å; L770-W798 HydrophobicContact CD1-CZ3 4.3Å; L770-V801 HydrophobicContact CD1-CG1 3.98Å; L770-A805 HydrophobicContact CD1-CB 3.99Å; L770-W831 HydrophobicContact CD1-CZ2 4.12Å
771	S	84.4	Confident	82.9	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-95.7	-35.4	-175.5	63.1	0	0	0	0	114.9	R670 Y767 T773	R670-S771 VanDerWaalsContact CD-O 3.25Å; R670-S771 WeakPolarHBondContact CD-O 3.39Å; Y767-S771 WeakPolarHBondContact CE1-OG 3.19Å; Y767-S771 WeakPolarHBondContact O-CB 3.4Å; Y767-S771 PolarHBondContact O-N 2.9Å; Y767-S771 PolarHBondContact O-OG 3.19Å; S771-T773 VanDerWaalsContact C-N 3.28Å; S771-T773 PolarHBondContact OG-N 3.1Å; S771-T773 PolarHBondContact OG-O 2.81Å; S771-T773 PolarHBondContact OG-OG1 3.26Å
772	G	79.3	Confident	81.7	Confident	36 Å²	36	35.8 Å²	35.8	37%	0.371	19%	0.194	S	C	.	.	S	Bend	trans	77.9	8.7	-163.3	0	0	0	0	0	113.8	G669 V768	G669-G772 VanDerWaalsContact O-CA 3.25Å; G669-G772 WeakPolarHBondContact O-CA 3.24Å; V768-G772 WeakPolarHBondContact O-CA 3.46Å; V768-G772 PolarHBondContact O-N 3.01Å
773	T	77.4	Confident	80.6	Confident	73 Å²	73	39.3 Å²	39.3	45%	0.448	21%	0.213	S	C	.	.	S	Bend	trans	-134.3	163	-178.4	65.5	0	0	0	0	111.8	Y767 V768 S771	Y767-T773 VanDerWaalsContact CD1-O 3.29Å; Y767-T773 WeakPolarHBondContact CD1-O 3.45Å; Y767-T773 VanDerWaalsContact CE1-O 3.3Å; Y767-T773 WeakPolarHBondContact CE1-O 3.38Å; V768-T773 WeakPolarHBondContact CA-O 3.37Å; V768-T773 WeakPolarHBondContact CG2-O 3.26Å; S771-T773 VanDerWaalsContact C-N 3.28Å; S771-T773 PolarHBondContact OG-N 3.1Å; S771-T773 PolarHBondContact OG-O 2.81Å; S771-T773 PolarHBondContact OG-OG1 3.26Å
774	F	78.9	Confident	79.6	Confident	62 Å²	62	43.2 Å²	43.2	27%	0.272	23%	0.233	S	C	.	.			trans	-80	151.7	172.9	-75.7	-88.2	0	0	0	111.5	L154 A741 Y742 Y767 V768 F776	L154-F774 HydrophobicContact CD1-CD2 3.67Å; L154-F774 HydrophobicContact CD1-CE2 3.37Å; L154-F774 HydrophobicContact CD1-CZ 4.05Å; A741-F774 HydrophobicContact CB-CD1 3.73Å; A741-F774 HydrophobicContact CB-CE1 3.69Å; Y742-F774 HydrophobicContact CE1-CE1 4.07Å; Y742-F774 AromaticContact CE2-CE1 3.96Å; Y742-F774 HydrophobicContact CE2-CE1 3.96Å; Y742-F774 HydrophobicContact CE2-CZ 4.38Å; Y742-F774 AromaticContact CZ-CE1 3.59Å; Y767-F774 VanDerWaalsContact CE1-C 3.41Å; Y767-F774 WeakPolarHBondContact CE1-O 3.48Å; V768-F774 HydrophobicContact CG2-CD1 3.87Å; V768-F774 HydrophobicContact CG2-CE1 3.99Å; V768-F774 HydrophobicContact CG2-CG 4.3Å; V768-F774 HydrophobicContact CG2-CZ 4.48Å; F774-F776 VanDerWaalsContact C-N 3.33Å
775	P	76.4	Confident	78.7	Confident	8 Å²	8	44 Å²	44	5%	0.052	24%	0.237	C	C	.	.	S	Bend	trans	-73.7	-24.1	177.1	26.4	-31.1	0	0	0	113.2	V764 Y767 F791	V764-P775 HydrophobicContact CG1-CG 4.07Å; V764-P775 HydrophobicContact CG2-CG 4.26Å; Y767-P775 HydrophobicContact CD1-CB 3.8Å; Y767-P775 HydrophobicContact CD1-CG 4.13Å; Y767-P775 HydrophobicContact CD2-CB 3.99Å; Y767-P775 VanDerWaalsContact CE1-CA 3.5Å; Y767-P775 HydrophobicContact CE1-CB 3.96Å; Y767-P775 HydrophobicContact CE2-CB 4.12Å; Y767-P775 HydrophobicContact CG-CB 3.85Å; Y767-P775 HydrophobicContact CG-CG 4.28Å; P775-F791 HydrophobicContact CB-CB 3.86Å; P775-F791 HydrophobicContact CB-CG 4.28Å; P775-F791 WeakPolarHBondContact O-CB 3.47Å
776	F	76.4	Confident	78	Confident	8 Å²	8	44 Å²	44	4%	0.035	24%	0.237	C	C	.	.	S	Bend	trans	-112.3	137.3	-179.5	-48.6	-64.7	0	0	0	110.1	W760 V764 F774 I782 Q785 I786 F791	W760-F776 AromaticContact CH2-CZ 3.97Å; W760-F776 HydrophobicContact CH2-CZ 3.97Å; W760-F776 AromaticContact CZ2-CE2 3.78Å; W760-F776 HydrophobicContact CZ2-CE2 3.78Å; W760-F776 AromaticContact CZ2-CZ 3.44Å; W760-F776 HydrophobicContact CZ2-CZ 3.44Å; W760-F776 VanDerWaalsContact CZ2-CZ 3.44Å; V764-F776 HydrophobicContact CG2-CE2 4.46Å; F774-F776 VanDerWaalsContact C-N 3.33Å; F776-I782 HydrophobicContact CB-CD1 4.34Å; F776-I782 HydrophobicContact CB-CG1 3.91Å; F776-Q785 HydrophobicContact CB-CB 4.44Å; F776-Q785 HydrophobicContact CD1-CB 3.95Å; F776-I786 HydrophobicContact CD1-CG1 4.19Å; F776-I786 HydrophobicContact CD2-CD1 4.19Å; F776-I786 HydrophobicContact CD2-CG1 3.55Å; F776-I786 HydrophobicContact CE1-CG1 4.3Å; F776-I786 HydrophobicContact CE2-CG1 3.71Å; F776-I786 HydrophobicContact CG-CG1 3.83Å; F776-I786 HydrophobicContact CZ-CG1 4.09Å; F776-F791 HydrophobicContact CD1-CB 4.14Å; F776-F791 HydrophobicContact CE1-CB 3.9Å; F776-F791 AromaticContact CE1-CD1 3.89Å; F776-F791 HydrophobicContact CE1-CD1 3.89Å; F776-F791 HydrophobicContact CE1-CG 4.34Å; F776-F791 HydrophobicContact CZ-CD1 4.23Å
777	N	66.8	Low	77.1	Confident	62 Å²	62	46.7 Å²	46.7	33%	0.332	25%	0.25	S	C	.	.			trans	-80.6	140.7	179	-171	11.6	0	0	0	111.3	D779 E780 Q785	N777-D779 PolarHBondContact OD1-N 3.22Å; N777-E780 HydrophobicContact CB-CB 4.44Å; N777-E780 PolarHBondContact ND2-OE1 3.38Å; N777-Q785 PolarHBondContact O-NE2 3.42Å
778	E	59	Low	76.5	Confident	72 Å²	72	50.8 Å²	50.8	34%	0.336	27%	0.272	S	S	.	.	S	Bend	trans	-96	-14.5	179	-59.7	-165.2	166.4	0	0	113.6	L154 E780 I782	L154-E778 WeakPolarHBondContact CB-OE1 3.45Å; L154-E778 WeakPolarHBondContact CB-OE2 3.43Å; L154-E778 WeakPolarHBondContact CD2-OE2 3.45Å; E778-E780 PolarHBondContact O-N 3.04Å; E778-I782 HydrophobicContact CG-CD1 4.35Å
779	D	55	Low	76.3	Confident	157 Å²	157	51.6 Å²	51.6	84%	0.84	28%	0.28	S	S	*	.	S	Bend	trans	-77.1	-4.4	171.2	-66.2	-42.9	0	0	0	112.5	N777	N777-D779 PolarHBondContact OD1-N 3.22Å
780	E	63.4	Low	75.6	Confident	121 Å²	121	54.1 Å²	54.1	57%	0.565	30%	0.301	S	S	*	.	S	Bend	trans	-122.9	175.3	179.6	-73.2	171.2	-118.7	0	0	110.7	N777 E778 I782	N777-E780 HydrophobicContact CB-CB 4.44Å; N777-E780 PolarHBondContact ND2-OE1 3.38Å; E778-E780 PolarHBondContact O-N 3.04Å; E780-I782 PolarHBondContact O-N 3.09Å
781	D	75.4	Confident	75.2	Confident	98 Å²	98	56 Å²	56	52%	0.524	31%	0.309	S	S	.	.			trans	-73.4	90.9	175.1	-165.3	-12.5	0	0	0	111.2	N783 D784 Q785	D781-N783 PolarHBondContact O-N 2.97Å; D781-N783 VanDerWaalsContact O-N 3.1Å; D781-N783 VanDerWaalsContact OD1-CB 3.26Å; D781-N783 WeakPolarHBondContact OD1-CB 3.49Å; D781-N783 PolarHBondContact OD1-N 3.37Å; D781-N783 PolarHBondContact OD1-ND2 2.75Å; D781-D784 HydrophobicContact CB-CB 4.37Å; D781-D784 PolarHBondContact O-N 2.79Å; D781-Q785 PolarHBondContact O-N 3.48Å; D781-Q785 VanDerWaalsContact O-N 3.08Å; D781-Q785 PolarHBondContact O-NE2 2.84Å
782	I	70.1	Confident	75.1	Confident	30 Å²	30	62 Å²	62	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-51.7	-28.3	174	-167.7	170.9	0	0	0	113	F776 E778 E780 I786	F776-I782 HydrophobicContact CB-CD1 4.34Å; F776-I782 HydrophobicContact CB-CG1 3.91Å; E778-I782 HydrophobicContact CG-CD1 4.35Å; E780-I782 PolarHBondContact O-N 3.09Å; I782-I786 HydrophobicContact CD1-CD1 4.41Å; I782-I786 HydrophobicContact CG1-CD1 3.84Å; I782-I786 HydrophobicContact CG1-CG1 4.31Å; I782-I786 VanDerWaalsContact O-CB 3.32Å; I782-I786 WeakPolarHBondContact O-CB 3.5Å; I782-I786 VanDerWaalsContact O-CG1 3.23Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 3.42Å
783	N	74	Confident	75.5	Confident	74 Å²	74	63 Å²	63	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-74	-33.7	179.3	-51.9	-86.9	0	0	0	111.9	L748 D781 Q787	L748-N783 HydrophobicContact CD1-CB 4.3Å; D781-N783 PolarHBondContact O-N 2.97Å; D781-N783 VanDerWaalsContact O-N 3.1Å; D781-N783 VanDerWaalsContact OD1-CB 3.26Å; D781-N783 WeakPolarHBondContact OD1-CB 3.49Å; D781-N783 PolarHBondContact OD1-N 3.37Å; D781-N783 PolarHBondContact OD1-ND2 2.75Å; N783-Q787 WeakPolarHBondContact O-CB 3.26Å; N783-Q787 WeakPolarHBondContact O-CG 3.41Å; N783-Q787 PolarHBondContact O-N 2.98Å; N783-Q787 VanDerWaalsContact O-N 3.14Å; N783-Q787 PolarHBondContact O-NE2 2.84Å
784	D	78	Confident	75.6	Confident	82 Å²	82	61.8 Å²	61.8	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-76.3	-44.1	174.7	-171.9	66.7	0	0	0	110.7	D781 I786 Q787 N788	D781-D784 HydrophobicContact CB-CB 4.37Å; D781-D784 PolarHBondContact O-N 2.79Å; D784-I786 PolarHBondContact O-N 3.13Å; D784-Q787 CarbonylContact O-C 3.47Å; D784-Q787 WeakPolarHBondContact O-CB 3.41Å; D784-Q787 PolarHBondContact O-N 2.92Å; D784-N788 WeakPolarHBondContact O-CB 3.32Å; D784-N788 PolarHBondContact O-N 3.47Å; D784-N788 PolarHBondContact O-ND2 3Å; D784-N788 PolarHBondContact OD1-ND2 2.87Å; D784-N788 PolarHBondContact OD2-ND2 3.31Å
785	Q	74.9	Confident	75.6	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-54.5	-51.1	174.2	-72.9	171.6	74.1	0	0	112.4	F776 N777 D781 Q787 N788 A789 A790	F776-Q785 HydrophobicContact CB-CB 4.44Å; F776-Q785 HydrophobicContact CD1-CB 3.95Å; N777-Q785 PolarHBondContact O-NE2 3.42Å; D781-Q785 PolarHBondContact O-N 3.48Å; D781-Q785 VanDerWaalsContact O-N 3.08Å; D781-Q785 PolarHBondContact O-NE2 2.84Å; Q785-Q787 VanDerWaalsContact C-N 3.35Å; Q785-Q787 PolarHBondContact O-N 2.94Å; Q785-N788 PolarHBondContact O-N 2.81Å; Q785-A789 CarbonylContact O-C 3.24Å; Q785-A789 VanDerWaalsContact O-CA 3.27Å; Q785-A789 WeakPolarHBondContact O-CA 3.3Å; Q785-A789 PolarHBondContact O-N 3.45Å; Q785-A790 PolarHBondContact O-N 3.46Å
786	I	79.8	Confident	75.8	Confident	2 Å²	2	71 Å²	71	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-47.5	174.3	-73	169.5	0	0	0	110.1	L743 P745 L748 W760 F776 I782 D784 N788 A789	L743-I786 WeakPolarHBondContact O-CG2 3.48Å; P745-I786 HydrophobicContact CB-CG2 4.29Å; P745-I786 HydrophobicContact CG-CG2 3.84Å; P745-I786 VanDerWaalsContact CG-O 3.26Å; P745-I786 WeakPolarHBondContact CG-O 3.4Å; L748-I786 HydrophobicContact CD1-CB 3.9Å; L748-I786 HydrophobicContact CD1-CD1 4.18Å; L748-I786 HydrophobicContact CD1-CG2 3.56Å; L748-I786 HydrophobicContact CG-CG2 4.49Å; W760-I786 HydrophobicContact CZ2-CG2 3.92Å; F776-I786 HydrophobicContact CD1-CG1 4.19Å; F776-I786 HydrophobicContact CD2-CD1 4.19Å; F776-I786 HydrophobicContact CD2-CG1 3.55Å; F776-I786 HydrophobicContact CE1-CG1 4.3Å; F776-I786 HydrophobicContact CE2-CG1 3.71Å; F776-I786 HydrophobicContact CG-CG1 3.83Å; F776-I786 HydrophobicContact CZ-CG1 4.09Å; I782-I786 HydrophobicContact CD1-CD1 4.41Å; I782-I786 HydrophobicContact CG1-CD1 3.84Å; I782-I786 HydrophobicContact CG1-CG1 4.31Å; I782-I786 VanDerWaalsContact O-CB 3.32Å; I782-I786 WeakPolarHBondContact O-CB 3.5Å; I782-I786 VanDerWaalsContact O-CG1 3.23Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 3.42Å; D784-I786 PolarHBondContact O-N 3.13Å; I786-N788 VanDerWaalsContact C-N 3.26Å; I786-N788 PolarHBondContact O-N 3.1Å; I786-A789 PolarHBondContact O-N 3.22Å; I786-A789 VanDerWaalsContact O-N 3.16Å
787	Q	80.8	Confident	76.3	Confident	56 Å²	56	71.1 Å²	71.1	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-31	-177.1	-88.8	-170.6	94.6	0	0	114.7	R749 N783 D784 Q785 V815	R749-Q787 HydrophobicContact CG-CG 4.13Å; R749-Q787 VanDerWaalsContact CG-OE1 3.29Å; R749-Q787 VanDerWaalsContact CZ-O 3.27Å; R749-Q787 PolarHBondContact NH1-O 3.39Å; R749-Q787 VanDerWaalsContact NH2-CB 3.34Å; R749-Q787 PolarHBondContact NH2-O 2.82Å; N783-Q787 WeakPolarHBondContact O-CB 3.26Å; N783-Q787 WeakPolarHBondContact O-CG 3.41Å; N783-Q787 PolarHBondContact O-N 2.98Å; N783-Q787 VanDerWaalsContact O-N 3.14Å; N783-Q787 PolarHBondContact O-NE2 2.84Å; D784-Q787 CarbonylContact O-C 3.47Å; D784-Q787 WeakPolarHBondContact O-CB 3.41Å; D784-Q787 PolarHBondContact O-N 2.92Å; Q785-Q787 VanDerWaalsContact C-N 3.35Å; Q785-Q787 PolarHBondContact O-N 2.94Å; Q787-V815 VanDerWaalsContact O-CG1 3.29Å; Q787-V815 WeakPolarHBondContact O-CG1 3.19Å
788	N	81.4	Confident	77.5	Confident	92 Å²	92	68.6 Å²	68.6	49%	0.492	36%	0.363	S	S	.	.	H	α-helix	trans	-99.2	-6.6	-179.8	-61.7	-29	0	0	0	112.5	D784 Q785 I786 A790	D784-N788 WeakPolarHBondContact O-CB 3.32Å; D784-N788 PolarHBondContact O-N 3.47Å; D784-N788 PolarHBondContact O-ND2 3Å; D784-N788 PolarHBondContact OD1-ND2 2.87Å; D784-N788 PolarHBondContact OD2-ND2 3.31Å; Q785-N788 PolarHBondContact O-N 2.81Å; I786-N788 VanDerWaalsContact C-N 3.26Å; I786-N788 PolarHBondContact O-N 3.1Å; N788-A790 HydrophobicContact CB-CB 4.5Å; N788-A790 PolarHBondContact O-N 2.85Å
789	A	82.9	Confident	79.1	Confident	24 Å²	24	74 Å²	74	20%	0.198	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	39.6	-164.9	0	0	0	0	0	112.6	W760 Q785 I786 F791 V815	W760-A789 HydrophobicContact CH2-CB 4.27Å; Q785-A789 CarbonylContact O-C 3.24Å; Q785-A789 VanDerWaalsContact O-CA 3.27Å; Q785-A789 WeakPolarHBondContact O-CA 3.3Å; Q785-A789 PolarHBondContact O-N 3.45Å; I786-A789 PolarHBondContact O-N 3.22Å; I786-A789 VanDerWaalsContact O-N 3.16Å; A789-F791 HydrophobicContact CB-CD1 4.3Å; A789-F791 HydrophobicContact CB-CE1 4.08Å; A789-F791 VanDerWaalsContact O-CD1 3.26Å; A789-F791 WeakPolarHBondContact O-CD1 3.41Å; A789-F791 PolarHBondContact O-N 3.09Å; A789-V815 HydrophobicContact CB-CG2 3.37Å
790	A	80.3	Confident	80.9	Confident	53 Å²	53	75.2 Å²	75.2	44%	0.438	38%	0.384	S	S	.	.			trans	-78.6	88.1	172.4	0	0	0	0	0	109.1	Q785 N788	Q785-A790 PolarHBondContact O-N 3.46Å; N788-A790 HydrophobicContact CB-CB 4.5Å; N788-A790 PolarHBondContact O-N 2.85Å
791	F	84	Confident	82.5	Confident	42 Å²	42	70.4 Å²	70.4	18%	0.184	36%	0.362	C	S	.	.			trans	-127.8	166.3	166.6	62.2	-90.8	0	0	0	108.8	P775 F776 A789 Y793 I809 L813	P775-F791 HydrophobicContact CB-CB 3.86Å; P775-F791 HydrophobicContact CB-CG 4.28Å; P775-F791 WeakPolarHBondContact O-CB 3.47Å; F776-F791 HydrophobicContact CD1-CB 4.14Å; F776-F791 HydrophobicContact CE1-CB 3.9Å; F776-F791 AromaticContact CE1-CD1 3.89Å; F776-F791 HydrophobicContact CE1-CD1 3.89Å; F776-F791 HydrophobicContact CE1-CG 4.34Å; F776-F791 HydrophobicContact CZ-CD1 4.23Å; A789-F791 HydrophobicContact CB-CD1 4.3Å; A789-F791 HydrophobicContact CB-CE1 4.08Å; A789-F791 VanDerWaalsContact O-CD1 3.26Å; A789-F791 WeakPolarHBondContact O-CD1 3.41Å; A789-F791 PolarHBondContact O-N 3.09Å; F791-Y793 HydrophobicContact CE2-CE1 4.4Å; F791-Y793 AromaticContact CE2-CE2 3.91Å; F791-Y793 HydrophobicContact CE2-CE2 3.91Å; F791-Y793 AromaticContact CE2-CZ 3.69Å; F791-Y793 WeakPolarHBondContact CE2-OH 2.97Å; F791-I809 HydrophobicContact CE2-CG2 4.42Å; F791-L813 HydrophobicContact CD1-CB 4.47Å; F791-L813 HydrophobicContact CD1-CD1 4.03Å; F791-L813 HydrophobicContact CD2-CD1 4.4Å; F791-L813 HydrophobicContact CE1-CB 3.52Å; F791-L813 HydrophobicContact CE1-CD1 3.66Å; F791-L813 HydrophobicContact CE1-CG 4.24Å; F791-L813 HydrophobicContact CE2-CD1 4.07Å; F791-L813 HydrophobicContact CG-CD1 4.4Å; F791-L813 HydrophobicContact CZ-CB 3.77Å; F791-L813 HydrophobicContact CZ-CD1 3.69Å; F791-L813 HydrophobicContact CZ-CG 4.33Å
792	M	83.4	Confident	83.5	Confident	135 Å²	135	67.1 Å²	67.1	67%	0.665	35%	0.347	S	S	*	.			trans	-138.3	168.2	-177.1	76.4	-168.7	-45.2	0	0	112.3	Y767 P794	Y767-M792 PolarHBondContact OH-O 2.79Å; Y767-M792 VanDerWaalsContact OH-O 3.09Å; M792-P794 HydrophobicContact CG-CG 4.12Å; M792-P794 WeakPolarHBondContact O-CD 3.49Å
793	Y	86.3	Confident	84.8	Confident	56 Å²	56	71.5 Å²	71.5	22%	0.22	37%	0.367	C	S	.	.			trans	-116.9	86.9	177.7	-62.7	-72	0	0	0	110.5	Y767 F791 W798 I806 I809 N810	Y767-Y793 HydrophobicContact CD2-CD1 4.41Å; Y767-Y793 HydrophobicContact CD2-CE1 4.02Å; Y767-Y793 AromaticContact CE2-CD1 3.95Å; Y767-Y793 HydrophobicContact CE2-CD1 3.95Å; Y767-Y793 AromaticContact CE2-CE1 3.99Å; Y767-Y793 HydrophobicContact CE2-CE1 3.99Å; F791-Y793 HydrophobicContact CE2-CE1 4.4Å; F791-Y793 AromaticContact CE2-CE2 3.91Å; F791-Y793 HydrophobicContact CE2-CE2 3.91Å; F791-Y793 AromaticContact CE2-CZ 3.69Å; F791-Y793 WeakPolarHBondContact CE2-OH 2.97Å; Y793-W798 AromaticContact CD1-CD2 3.53Å; Y793-W798 HydrophobicContact CD1-CD2 3.53Å; Y793-W798 AromaticContact CD1-CE2 3.7Å; Y793-W798 AromaticContact CD1-CE3 3.63Å; Y793-W798 HydrophobicContact CD1-CE3 3.63Å; Y793-W798 HydrophobicContact CD1-CG 4.04Å; Y793-W798 HydrophobicContact CD1-CH2 4.13Å; Y793-W798 HydrophobicContact CD1-CZ2 4.02Å; Y793-W798 AromaticContact CD1-CZ3 3.92Å; Y793-W798 HydrophobicContact CD1-CZ3 3.92Å; Y793-W798 HydrophobicContact CE1-CD2 4.32Å; Y793-W798 HydrophobicContact CE1-CE3 4.06Å; Y793-W798 HydrophobicContact CE1-CH2 4.01Å; Y793-W798 HydrophobicContact CE1-CZ2 4.24Å; Y793-W798 AromaticContact CE1-CZ3 3.89Å; Y793-W798 HydrophobicContact CE1-CZ3 3.89Å; Y793-W798 HydrophobicContact CG-CD2 4.37Å; Y793-W798 HydrophobicContact CG-CG 4.46Å; Y793-I806 HydrophobicContact CD1-CG1 4.4Å; Y793-I806 HydrophobicContact CD2-CG2 4.17Å; Y793-I806 HydrophobicContact CE1-CG1 4.24Å; Y793-I806 HydrophobicContact CE1-CG2 4.4Å; Y793-I806 HydrophobicContact CE2-CG2 3.7Å; Y793-I806 PolarHBondContact OH-O 3.05Å; Y793-I809 HydrophobicContact CE1-CD1 4.26Å; Y793-I809 HydrophobicContact CE1-CG2 4.41Å; Y793-I809 WeakPolarHBondContact OH-CB 3.42Å; Y793-I809 VanDerWaalsContact OH-CG2 3.25Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.29Å; Y793-N810 WeakPolarHBondContact CE2-OD1 3.4Å; Y793-N810 PolarHBondContact OH-OD1 3.44Å
794	P	81	Confident	86	Confident	47 Å²	47	72.5 Å²	72.5	31%	0.305	37%	0.369	S	S	.	.			trans	-58.8	136.9	-178.6	-26.9	36.1	0	0	0	112.5	M792 H796 W798	M792-P794 HydrophobicContact CG-CG 4.12Å; M792-P794 WeakPolarHBondContact O-CD 3.49Å; P794-H796 CarbonylContact O-C 3.59Å; P794-H796 VanDerWaalsContact O-C 3.22Å; P794-H796 PolarHBondContact O-N 3.29Å; P794-W798 WeakPolarHBondContact O-CB 3.49Å; P794-W798 VanDerWaalsContact O-CD1 3.28Å; P794-W798 PolarHBondContact O-N 2.99Å
795	P	78.5	Confident	86.9	Confident	106 Å²	106	68.6 Å²	68.6	69%	0.688	35%	0.348	S	S	*	.	H	α-helix	trans	-54.3	-27.4	-173.7	-30.1	35.8	0	0	0	115.1	K799	P795-K799 WeakPolarHBondContact O-CB 3.45Å; P795-K799 PolarHBondContact O-N 3.39Å
796	H	80.6	Confident	88	Confident	157 Å²	157	68.8 Å²	68.8	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-106.6	124.2	160.1	-166.7	95.2	0	0	0	109.8	P794	P794-H796 CarbonylContact O-C 3.59Å; P794-H796 VanDerWaalsContact O-C 3.22Å; P794-H796 PolarHBondContact O-N 3.29Å
797	P	87.6	Confident	88.9	Confident	12 Å²	12	71.5 Å²	71.5	8%	0.078	36%	0.364	C	S	.	.	H	α-helix	cis	-88.9	-6.4	1.7	32.9	-31.9	0	0	0	115.2	R670 K799 K800	R670-P797 VanDerWaalsContact NH2-CB 3.34Å; P797-K799 VanDerWaalsContact C-N 3.27Å; P797-K799 PolarHBondContact O-N 3.4Å; P797-K799 VanDerWaalsContact O-N 3.08Å; P797-K800 PolarHBondContact O-N 2.98Å
798	W	91.8	Very high	89.8	Confident	9 Å²	9	68.9 Å²	68.9	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-19.7	-159.9	-66.7	96.8	0	0	0	115.8	Y767 L770 Y793 P794 K800 V801 I806 I809	Y767-W798 HydrophobicContact CD1-CZ2 4.24Å; Y767-W798 AromaticContact CD2-CH2 3.8Å; Y767-W798 HydrophobicContact CD2-CH2 3.8Å; Y767-W798 AromaticContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CE1-CZ2 4.21Å; Y767-W798 AromaticContact CE2-CE2 3.81Å; Y767-W798 HydrophobicContact CE2-CH2 4.18Å; Y767-W798 AromaticContact CE2-CZ2 3.36Å; Y767-W798 HydrophobicContact CE2-CZ2 3.36Å; Y767-W798 AromaticContact CE2-NE1 3.95Å; Y767-W798 HydrophobicContact CG-CH2 4.24Å; Y767-W798 AromaticContact CG-CZ2 3.82Å; Y767-W798 HydrophobicContact CG-CZ2 3.82Å; Y767-W798 AromaticContact CZ-CZ2 3.79Å; Y767-W798 AromaticContact CZ-NE1 3.85Å; L770-W798 HydrophobicContact CB-CH2 4.04Å; L770-W798 HydrophobicContact CB-CZ3 4.39Å; L770-W798 HydrophobicContact CD1-CH2 4.41Å; L770-W798 HydrophobicContact CD1-CZ3 4.3Å; Y793-W798 AromaticContact CD1-CD2 3.53Å; Y793-W798 HydrophobicContact CD1-CD2 3.53Å; Y793-W798 AromaticContact CD1-CE2 3.7Å; Y793-W798 AromaticContact CD1-CE3 3.63Å; Y793-W798 HydrophobicContact CD1-CE3 3.63Å; Y793-W798 HydrophobicContact CD1-CG 4.04Å; Y793-W798 HydrophobicContact CD1-CH2 4.13Å; Y793-W798 HydrophobicContact CD1-CZ2 4.02Å; Y793-W798 AromaticContact CD1-CZ3 3.92Å; Y793-W798 HydrophobicContact CD1-CZ3 3.92Å; Y793-W798 HydrophobicContact CE1-CD2 4.32Å; Y793-W798 HydrophobicContact CE1-CE3 4.06Å; Y793-W798 HydrophobicContact CE1-CH2 4.01Å; Y793-W798 HydrophobicContact CE1-CZ2 4.24Å; Y793-W798 AromaticContact CE1-CZ3 3.89Å; Y793-W798 HydrophobicContact CE1-CZ3 3.89Å; Y793-W798 HydrophobicContact CG-CD2 4.37Å; Y793-W798 HydrophobicContact CG-CG 4.46Å; P794-W798 WeakPolarHBondContact O-CB 3.49Å; P794-W798 VanDerWaalsContact O-CD1 3.28Å; P794-W798 PolarHBondContact O-N 2.99Å; W798-K800 PolarHBondContact O-N 2.65Å; W798-V801 HydrophobicContact CD2-CG2 4.43Å; W798-V801 HydrophobicContact CE3-CB 3.79Å; W798-V801 HydrophobicContact CE3-CG1 3.72Å; W798-V801 HydrophobicContact CE3-CG2 3.9Å; W798-V801 HydrophobicContact CZ3-CB 4.27Å; W798-V801 HydrophobicContact CZ3-CG1 3.72Å; W798-V801 HydrophobicContact CZ3-CG2 4.35Å; W798-V801 PolarHBondContact O-N 3.03Å; W798-I806 HydrophobicContact CE3-CD1 4.18Å; W798-I806 HydrophobicContact CE3-CG1 3.86Å; W798-I806 HydrophobicContact CZ3-CG1 4.07Å; W798-I809 HydrophobicContact CH2-CD1 3.48Å; W798-I809 VanDerWaalsContact CH2-CD1 3.48Å; W798-I809 HydrophobicContact CZ3-CD1 3.64Å
799	K	92.3	Very high	90.6	Very high	184 Å²	184	64.5 Å²	64.5	80%	0.8	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.2	170	-176.8	169	178.7	174.9	0	113.8	P795 P797	P795-K799 WeakPolarHBondContact O-CB 3.45Å; P795-K799 PolarHBondContact O-N 3.39Å; P797-K799 VanDerWaalsContact C-N 3.27Å; P797-K799 PolarHBondContact O-N 3.4Å; P797-K799 VanDerWaalsContact O-N 3.08Å
800	K	92.5	Very high	91.3	Very high	184 Å²	184	66 Å²	66	80%	0.8	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	13.9	175.4	-62.7	-166.9	175.4	-167.4	0	113.5	P797 W798	P797-K800 PolarHBondContact O-N 2.98Å; W798-K800 PolarHBondContact O-N 2.65Å
801	V	96.4	Very high	92.1	Very high	19 Å²	19	64.8 Å²	64.8	12%	0.115	32%	0.319	C	S	.	.	S	Bend	trans	-107	142.4	176.6	176.6	0	0	0	0	108.6	E673 L770 W798 A805 I806	E673-V801 VanDerWaalsContact OE1-CA 3.3Å; E673-V801 WeakPolarHBondContact OE1-CA 3.37Å; L770-V801 HydrophobicContact CD1-CG1 3.98Å; W798-V801 HydrophobicContact CD2-CG2 4.43Å; W798-V801 HydrophobicContact CE3-CB 3.79Å; W798-V801 HydrophobicContact CE3-CG1 3.72Å; W798-V801 HydrophobicContact CE3-CG2 3.9Å; W798-V801 HydrophobicContact CZ3-CB 4.27Å; W798-V801 HydrophobicContact CZ3-CG1 3.72Å; W798-V801 HydrophobicContact CZ3-CG2 4.35Å; W798-V801 PolarHBondContact O-N 3.03Å; V801-A805 HydrophobicContact CG1-CB 3.67Å; V801-I806 HydrophobicContact CG1-CG1 4.47Å
802	S	97.8	Very high	92.8	Very high	30 Å²	30	62.8 Å²	62.8	21%	0.21	31%	0.311	C	S	.	.			trans	-61.5	150.5	-179.4	69.7	0	0	0	0	112.7	E673 E804 A805 I806 W831	E673-S802 PolarHBondContact OE1-N 3.49Å; E673-S802 WeakPolarHBondContact OE2-CB 3.49Å; E673-S802 PolarHBondContact OE2-OG 2.97Å; S802-E804 WeakPolarHBondContact CB-OE2 3.49Å; S802-E804 PolarHBondContact O-N 3.15Å; S802-A805 PolarHBondContact O-N 3.46Å; S802-A805 WeakPolarHBondContact OG-CB 3.48Å; S802-A805 PolarHBondContact OG-N 3.26Å; S802-A805 VanDerWaalsContact OG-N 3.16Å; S802-I806 PolarHBondContact O-N 2.91Å; S802-W831 PolarHBondContact OG-NE1 2.59Å
803	Q	97.6	Very high	93.3	Very high	122 Å²	122	56.5 Å²	56.5	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-71.8	-25.6	-179.9	-173.2	52.5	79.6	0	0	111	I806 D807	Q803-I806 PolarHBondContact O-N 2.93Å; Q803-D807 WeakPolarHBondContact O-CB 3.38Å; Q803-D807 PolarHBondContact O-N 2.79Å
804	E	98	Very high	93.8	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-40.6	174.1	-60.3	71.9	-161.9	0	0	111.2	S802 D807 L808 H829 W831	S802-E804 WeakPolarHBondContact CB-OE2 3.49Å; S802-E804 PolarHBondContact O-N 3.15Å; E804-D807 PolarHBondContact O-N 2.78Å; E804-L808 PolarHBondContact O-N 2.67Å; E804-H829 WeakPolarHBondContact CA-CE1 3.25Å; E804-H829 PolarHBondContact O-CE1 3.35Å; E804-W831 HydrophobicContact CB-CB 3.99Å; E804-W831 HydrophobicContact CB-CG 4.37Å
805	A	98.1	Very high	94.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-46.3	171.8	0	0	0	0	0	111.4	L770 V801 S802 L808 I809 W831	L770-A805 HydrophobicContact CD1-CB 3.99Å; V801-A805 HydrophobicContact CG1-CB 3.67Å; S802-A805 PolarHBondContact O-N 3.46Å; S802-A805 WeakPolarHBondContact OG-CB 3.48Å; S802-A805 PolarHBondContact OG-N 3.26Å; S802-A805 VanDerWaalsContact OG-N 3.16Å; A805-L808 PolarHBondContact O-N 3.05Å; A805-I809 WeakPolarHBondContact O-CD1 3.26Å; A805-I809 VanDerWaalsContact O-CG1 3.26Å; A805-I809 WeakPolarHBondContact O-CG1 3.5Å; A805-I809 PolarHBondContact O-N 3.48Å; A805-W831 HydrophobicContact CB-CD2 4.32Å; A805-W831 HydrophobicContact CB-CG 4.4Å; A805-W831 HydrophobicContact CB-CZ2 4.07Å
806	I	97.9	Very high	94.8	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-41.8	-180	-70.6	168	0	0	0	110.7	Y793 W798 V801 S802 Q803 I809 N810	Y793-I806 HydrophobicContact CD1-CG1 4.4Å; Y793-I806 HydrophobicContact CD2-CG2 4.17Å; Y793-I806 HydrophobicContact CE1-CG1 4.24Å; Y793-I806 HydrophobicContact CE1-CG2 4.4Å; Y793-I806 HydrophobicContact CE2-CG2 3.7Å; Y793-I806 PolarHBondContact OH-O 3.05Å; W798-I806 HydrophobicContact CE3-CD1 4.18Å; W798-I806 HydrophobicContact CE3-CG1 3.86Å; W798-I806 HydrophobicContact CZ3-CG1 4.07Å; V801-I806 HydrophobicContact CG1-CG1 4.47Å; S802-I806 PolarHBondContact O-N 2.91Å; Q803-I806 PolarHBondContact O-N 2.93Å; I806-I809 PolarHBondContact O-N 2.97Å; I806-N810 WeakPolarHBondContact O-CB 3.41Å; I806-N810 PolarHBondContact O-N 2.42Å; I806-N810 PolarHBondContact O-ND2 3.44Å; I806-N810 VanDerWaalsContact O-ND2 3.15Å; I806-N810 PolarHBondContact O-OD1 2.98Å
807	D	98.3	Very high	95.2	Very high	60 Å²	60	53.4 Å²	53.4	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-44.3	173.8	179.4	69.4	0	0	0	111.9	Q803 E804 I809 N810 N811 H829	Q803-D807 WeakPolarHBondContact O-CB 3.38Å; Q803-D807 PolarHBondContact O-N 2.79Å; E804-D807 PolarHBondContact O-N 2.78Å; D807-I809 PolarHBondContact O-N 3.21Å; D807-N810 WeakPolarHBondContact O-CB 3.34Å; D807-N810 PolarHBondContact O-N 3.35Å; D807-N811 WeakPolarHBondContact O-CB 3Å; D807-N811 PolarHBondContact O-N 3.04Å; D807-N811 PolarHBondContact O-ND2 3.45Å; D807-N811 PolarHBondContact OD1-ND2 2.87Å; D807-N811 PolarHBondContact OD2-ND2 1.78Å; D807-H829 IonicContact OD1-NE2 3.89Å; D807-H829 IonicContact OD2-CD2 2.83Å; D807-H829 IonicContact OD2-CE1 3.26Å; D807-H829 CovalentContact OD2-NE2 1.78Å; D807-H829 IonicContact OD2-NE2 3.86Å; D807-H829 PolarHBondContact OD2-NE2 2.82Å
808	L	98.4	Very high	95.3	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-43.2	178.3	-170.2	57.1	0	0	0	112	I766 E804 A805 N810 N811 L812 Y821 T826 H829 W831 L832	I766-L808 HydrophobicContact CD1-CD2 4.39Å; E804-L808 PolarHBondContact O-N 2.67Å; A805-L808 PolarHBondContact O-N 3.05Å; L808-N810 PolarHBondContact O-N 3.45Å; L808-N811 PolarHBondContact O-N 2.99Å; L808-L812 HydrophobicContact CD1-CD1 4.35Å; L808-L812 HydrophobicContact CD1-CG 4.47Å; L808-L812 HydrophobicContact CG-CD1 3.97Å; L808-L812 VanDerWaalsContact O-CG 3.32Å; L808-L812 WeakPolarHBondContact O-CG 3.43Å; L808-L812 PolarHBondContact O-N 3.47Å; L808-Y821 HydrophobicContact CD1-CD2 4.42Å; L808-T826 HydrophobicContact CD1-CG2 3.86Å; L808-T826 HydrophobicContact CD2-CG2 4.15Å; L808-T826 HydrophobicContact CG-CG2 4.36Å; L808-H829 HydrophobicContact CD1-CB 3.76Å; L808-H829 HydrophobicContact CD2-CB 4.47Å; L808-W831 HydrophobicContact CD2-CB 4.44Å; L808-W831 HydrophobicContact CD2-CD2 4.38Å; L808-W831 HydrophobicContact CD2-CE3 3.52Å; L808-W831 HydrophobicContact CD2-CZ3 4.15Å; L808-L832 HydrophobicContact CD2-CG 4.39Å
809	I	98.3	Very high	95.4	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-45.4	174.6	-63.7	160.9	0	0	0	110.4	I766 Y767 F791 Y793 W798 A805 I806 D807 N811 L812 L813	I766-I809 HydrophobicContact CB-CG1 4.13Å; I766-I809 HydrophobicContact CG2-CD1 3.87Å; I766-I809 HydrophobicContact CG2-CG1 3.66Å; Y767-I809 HydrophobicContact CD2-CG2 4.48Å; F791-I809 HydrophobicContact CE2-CG2 4.42Å; Y793-I809 HydrophobicContact CE1-CD1 4.26Å; Y793-I809 HydrophobicContact CE1-CG2 4.41Å; Y793-I809 WeakPolarHBondContact OH-CB 3.42Å; Y793-I809 VanDerWaalsContact OH-CG2 3.25Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.29Å; W798-I809 HydrophobicContact CH2-CD1 3.48Å; W798-I809 VanDerWaalsContact CH2-CD1 3.48Å; W798-I809 HydrophobicContact CZ3-CD1 3.64Å; A805-I809 WeakPolarHBondContact O-CD1 3.26Å; A805-I809 VanDerWaalsContact O-CG1 3.26Å; A805-I809 WeakPolarHBondContact O-CG1 3.5Å; A805-I809 PolarHBondContact O-N 3.48Å; I806-I809 PolarHBondContact O-N 2.97Å; D807-I809 PolarHBondContact O-N 3.21Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 3.21Å; I809-L812 PolarHBondContact O-N 2.94Å; I809-L812 VanDerWaalsContact O-N 3.15Å; I809-L813 HydrophobicContact CG2-CD1 3.63Å; I809-L813 HydrophobicContact CG2-CG 4.07Å; I809-L813 WeakPolarHBondContact O-CB 3.16Å; I809-L813 PolarHBondContact O-N 2.81Å
810	N	97.4	Very high	95.6	Very high	55 Å²	55	63.2 Å²	63.2	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-34	177.5	-69	-22	0	0	0	112.8	Y793 I806 D807 L808 Q814	Y793-N810 WeakPolarHBondContact CE2-OD1 3.4Å; Y793-N810 PolarHBondContact OH-OD1 3.44Å; I806-N810 WeakPolarHBondContact O-CB 3.41Å; I806-N810 PolarHBondContact O-N 2.42Å; I806-N810 PolarHBondContact O-ND2 3.44Å; I806-N810 VanDerWaalsContact O-ND2 3.15Å; I806-N810 PolarHBondContact O-OD1 2.98Å; D807-N810 WeakPolarHBondContact O-CB 3.34Å; D807-N810 PolarHBondContact O-N 3.35Å; L808-N810 PolarHBondContact O-N 3.45Å; N810-Q814 PolarHBondContact O-NE2 3.29Å
811	N	98	Very high	95.8	Very high	29 Å²	29	56 Å²	56	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-79.7	-22.6	177.6	-79.7	-70.6	0	0	0	113.6	D807 L808 I809 Q814 R820 Y821	D807-N811 WeakPolarHBondContact O-CB 3Å; D807-N811 PolarHBondContact O-N 3.04Å; D807-N811 PolarHBondContact O-ND2 3.45Å; D807-N811 PolarHBondContact OD1-ND2 2.87Å; D807-N811 PolarHBondContact OD2-ND2 1.78Å; L808-N811 PolarHBondContact O-N 2.99Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 3.21Å; N811-Q814 WeakPolarHBondContact O-CG 3.26Å; N811-R820 WeakPolarHBondContact O-CA 3.4Å; N811-Y821 HydrophobicContact CB-CD1 3.66Å; N811-Y821 HydrophobicContact CB-CD2 4.21Å; N811-Y821 HydrophobicContact CB-CE1 3.46Å; N811-Y821 VanDerWaalsContact CB-CE1 3.46Å; N811-Y821 HydrophobicContact CB-CE2 4.07Å; N811-Y821 HydrophobicContact CB-CG 4.02Å; N811-Y821 VanDerWaalsContact CG-CZ 3.4Å; N811-Y821 PolarHBondContact O-N 2.86Å; N811-Y821 WeakPolarHBondContact OD1-CE1 3.35Å; N811-Y821 PolarHBondContact OD1-OH 2.82Å
812	L	97.8	Very high	95.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-88.5	-35.2	173.9	-70	169.5	0	0	0	113.1	M759 V762 I766 L808 I809 Q814 R820 T826	M759-L812 HydrophobicContact CB-CD2 4.16Å; M759-L812 HydrophobicContact CE-CD2 3.63Å; V762-L812 HydrophobicContact CG1-CD1 4.15Å; I766-L812 HydrophobicContact CD1-CD1 3.46Å; I766-L812 VanDerWaalsContact CD1-CD1 3.46Å; L808-L812 HydrophobicContact CD1-CD1 4.35Å; L808-L812 HydrophobicContact CD1-CG 4.47Å; L808-L812 HydrophobicContact CG-CD1 3.97Å; L808-L812 VanDerWaalsContact O-CG 3.32Å; L808-L812 WeakPolarHBondContact O-CG 3.43Å; L808-L812 PolarHBondContact O-N 3.47Å; I809-L812 PolarHBondContact O-N 2.94Å; I809-L812 VanDerWaalsContact O-N 3.15Å; L812-Q814 PolarHBondContact O-N 3.48Å; L812-Q814 VanDerWaalsContact O-N 3.13Å; L812-R820 WeakPolarHBondContact O-CD 3.43Å; L812-R820 WeakPolarHBondContact O-CG 3.38Å; L812-R820 PolarHBondContact O-NE 3.15Å; L812-T826 HydrophobicContact CD1-CG2 4.15Å; L812-T826 HydrophobicContact CD2-CG2 4.08Å
813	L	95.8	Very high	95.8	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-86.4	35.2	177.5	-60.4	-175.5	0	0	0	112.8	W760 V764 F791 I809	W760-L813 HydrophobicContact CD2-CD2 3.8Å; W760-L813 HydrophobicContact CE3-CB 4.36Å; W760-L813 HydrophobicContact CE3-CD2 4.06Å; W760-L813 HydrophobicContact CG-CD2 4.18Å; W760-L813 HydrophobicContact CZ2-CD2 4.39Å; W760-L813 VanDerWaalsContact CZ3-C 3.4Å; W760-L813 HydrophobicContact CZ3-CB 4.18Å; W760-L813 HydrophobicContact CZ3-CD2 4.46Å; W760-L813 VanDerWaalsContact CZ3-O 3.26Å; W760-L813 WeakPolarHBondContact CZ3-O 3.27Å; W760-L813 WeakPolarHBondContact O-CD2 3.46Å; V764-L813 HydrophobicContact CG2-CD2 3.83Å; F791-L813 HydrophobicContact CD1-CB 4.47Å; F791-L813 HydrophobicContact CD1-CD1 4.03Å; F791-L813 HydrophobicContact CD2-CD1 4.4Å; F791-L813 HydrophobicContact CE1-CB 3.52Å; F791-L813 HydrophobicContact CE1-CD1 3.66Å; F791-L813 HydrophobicContact CE1-CG 4.24Å; F791-L813 HydrophobicContact CE2-CD1 4.07Å; F791-L813 HydrophobicContact CG-CD1 4.4Å; F791-L813 HydrophobicContact CZ-CB 3.77Å; F791-L813 HydrophobicContact CZ-CD1 3.69Å; F791-L813 HydrophobicContact CZ-CG 4.33Å; I809-L813 HydrophobicContact CG2-CD1 3.63Å; I809-L813 HydrophobicContact CG2-CG 4.07Å; I809-L813 WeakPolarHBondContact O-CB 3.16Å; I809-L813 PolarHBondContact O-N 2.81Å
814	Q	94.8	Very high	95.7	Very high	57 Å²	57	54.9 Å²	54.9	27%	0.266	26%	0.257	S	S	.	.			trans	-77.9	124	175.2	-74	-65.9	-53.9	0	0	112.1	N810 N811 L812 K816 K819 R820	N810-Q814 PolarHBondContact O-NE2 3.29Å; N811-Q814 WeakPolarHBondContact O-CG 3.26Å; L812-Q814 PolarHBondContact O-N 3.48Å; L812-Q814 VanDerWaalsContact O-N 3.13Å; Q814-K816 VanDerWaalsContact C-N 3.31Å; Q814-K816 PolarHBondContact O-N 2.88Å; Q814-K819 HydrophobicContact CB-CB 4.22Å; Q814-K819 HydrophobicContact CG-CB 4.11Å; Q814-R820 HydrophobicContact CB-CB 3.99Å; Q814-R820 HydrophobicContact CB-CG 4.33Å; Q814-R820 PolarHBondContact O-NE 3.31Å; Q814-R820 PolarHBondContact O-NH2 3.28Å
815	V	91.4	Very high	95.7	Very high	41 Å²	41	55.6 Å²	55.6	25%	0.248	26%	0.259	C	S	.	.	S	Bend	trans	-61.5	-36.3	175.4	-176.8	0	0	0	0	112.6	P745 Q787 A789 M817	P745-V815 HydrophobicContact CB-CG1 4.23Å; P745-V815 HydrophobicContact CG-CG1 4.41Å; Q787-V815 VanDerWaalsContact O-CG1 3.29Å; Q787-V815 WeakPolarHBondContact O-CG1 3.19Å; A789-V815 HydrophobicContact CB-CG2 3.37Å; V815-M817 PolarHBondContact O-N 3.05Å
816	K	89.9	Confident	95.7	Very high	151 Å²	151	55.6 Å²	55.6	66%	0.657	26%	0.259	S	S	*	.	S	Bend	trans	-88.3	106.9	178	-69.6	-179.5	178.8	177.5	0	108.7	Q814 R818 K819 R820	Q814-K816 VanDerWaalsContact C-N 3.31Å; Q814-K816 PolarHBondContact O-N 2.88Å; K816-R818 PolarHBondContact O-N 3.31Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.41Å; K816-K819 WeakPolarHBondContact O-CA 3.46Å; K816-K819 WeakPolarHBondContact O-CB 3.5Å; K816-K819 PolarHBondContact O-N 3.5Å; K816-R820 PolarHBondContact O-N 3.44Å
817	M	89.4	Confident	95.7	Very high	52 Å²	52	55.6 Å²	55.6	26%	0.256	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-43.3	-40.6	178.9	-70	-179	-82.7	0	0	114.1	F732 E746 S756 V815 K819 R820	F732-M817 HydrophobicContact CE1-CE 4.36Å; E746-M817 HydrophobicContact CB-CE 3.95Å; E746-M817 HydrophobicContact CB-CG 4.44Å; E746-M817 HydrophobicContact CB-SD 4Å; E746-M817 HydrophobicContact CG-CE 4.35Å; E746-M817 HydrophobicContact CG-CG 4.15Å; E746-M817 HydrophobicContact CG-SD 3.72Å; S756-M817 WeakPolarHBondContact OG-CG 3.23Å; V815-M817 PolarHBondContact O-N 3.05Å; M817-K819 VanDerWaalsContact C-N 3.28Å; M817-K819 PolarHBondContact O-N 2.91Å; M817-R820 WeakPolarHBondContact O-CB 3.31Å; M817-R820 PolarHBondContact O-N 3.26Å
818	R	88.9	Confident	95.6	Very high	256 Å²	256	56.9 Å²	56.9	97%	0.966	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.2	178.6	-64.1	-176.4	-174.8	159.5	0.4	115.4	K816	K816-R818 PolarHBondContact O-N 3.31Å
819	K	93.6	Very high	95.6	Very high	139 Å²	139	57.7 Å²	57.7	60%	0.604	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-94.4	-20.5	171.6	-74.9	-161.6	167.3	-157.9	0	112.4	Q814 K816 M817	Q814-K819 HydrophobicContact CB-CB 4.22Å; Q814-K819 HydrophobicContact CG-CB 4.11Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.41Å; K816-K819 WeakPolarHBondContact O-CA 3.46Å; K816-K819 WeakPolarHBondContact O-CB 3.5Å; K816-K819 PolarHBondContact O-N 3.5Å; M817-K819 VanDerWaalsContact C-N 3.28Å; M817-K819 PolarHBondContact O-N 2.91Å
820	R	96.4	Very high	95.5	Very high	15 Å²	15	62 Å²	62	6%	0.057	31%	0.305	C	S	.	.	S	Bend	trans	-67.5	140.5	179.5	-159.3	177.6	-58.2	147.7	4.7	109.9	E746 S756 M759 N811 L812 Q814 K816 M817	E746-R820 IonicContact OE1-CZ 3.14Å; E746-R820 IonicContact OE1-NH1 3.26Å; E746-R820 PolarHBondContact OE1-NH1 2.84Å; E746-R820 IonicContact OE1-NH2 2.75Å; E746-R820 PolarHBondContact OE1-NH2 3.23Å; E746-R820 IonicContact OE2-CZ 3.8Å; E746-R820 IonicContact OE2-NH1 2.9Å; E746-R820 IonicContact OE2-NH2 2.89Å; E746-R820 PolarHBondContact OE2-NH2 3.43Å; S756-R820 VanDerWaalsContact C-NH1 3.34Å; S756-R820 WeakPolarHBondContact O-CD 3.33Å; S756-R820 PolarHBondContact O-NH1 2.81Å; M759-R820 HydrophobicContact CB-CG 4.47Å; N811-R820 WeakPolarHBondContact O-CA 3.4Å; L812-R820 WeakPolarHBondContact O-CD 3.43Å; L812-R820 WeakPolarHBondContact O-CG 3.38Å; L812-R820 PolarHBondContact O-NE 3.15Å; Q814-R820 HydrophobicContact CB-CB 3.99Å; Q814-R820 HydrophobicContact CB-CG 4.33Å; Q814-R820 PolarHBondContact O-NE 3.31Å; Q814-R820 PolarHBondContact O-NH2 3.28Å; K816-R820 PolarHBondContact O-N 3.44Å; M817-R820 WeakPolarHBondContact O-CB 3.31Å; M817-R820 PolarHBondContact O-N 3.26Å
821	Y	97.8	Very high	95.5	Very high	32 Å²	32	59.5 Å²	59.5	13%	0.125	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-69.5	144.4	-179.6	-79.4	28.1	0	0	0	111.2	M759 L808 N811 K825 T826	M759-Y821 WeakPolarHBondContact CG-O 3.43Å; L808-Y821 HydrophobicContact CD1-CD2 4.42Å; N811-Y821 HydrophobicContact CB-CD1 3.66Å; N811-Y821 HydrophobicContact CB-CD2 4.21Å; N811-Y821 HydrophobicContact CB-CE1 3.46Å; N811-Y821 VanDerWaalsContact CB-CE1 3.46Å; N811-Y821 HydrophobicContact CB-CE2 4.07Å; N811-Y821 HydrophobicContact CB-CG 4.02Å; N811-Y821 VanDerWaalsContact CG-CZ 3.4Å; N811-Y821 PolarHBondContact O-N 2.86Å; N811-Y821 WeakPolarHBondContact OD1-CE1 3.35Å; N811-Y821 PolarHBondContact OD1-OH 2.82Å; Y821-K825 HydrophobicContact CD1-CD 3.87Å; Y821-K825 HydrophobicContact CD2-CB 4.08Å; Y821-K825 HydrophobicContact CD2-CD 3.77Å; Y821-K825 HydrophobicContact CD2-CG 3.67Å; Y821-K825 HydrophobicContact CE1-CD 3.93Å; Y821-K825 HydrophobicContact CE2-CD 3.81Å; Y821-K825 HydrophobicContact CE2-CG 3.85Å; Y821-K825 HydrophobicContact CG-CB 4.3Å; Y821-K825 HydrophobicContact CG-CD 3.81Å; Y821-K825 HydrophobicContact CG-CG 4.1Å; Y821-K825 PolarHBondContact OH-NZ 3.18Å; Y821-T826 WeakPolarHBondContact CB-OG1 3.43Å
822	S	96.8	Very high	95.4	Very high	60 Å²	60	58.2 Å²	58.2	42%	0.42	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.5	169.6	166.1	60.1	0	0	0	0	110.5	D824 K825 T826	S822-D824 VanDerWaalsContact C-N 3.31Å; S822-D824 PolarHBondContact O-N 2.89Å; S822-K825 PolarHBondContact O-N 2.94Å; S822-K825 PolarHBondContact OG-N 3.17Å; S822-T826 WeakPolarHBondContact O-CB 3.25Å; S822-T826 PolarHBondContact O-N 3.17Å; S822-T826 PolarHBondContact O-OG1 3.4Å
823	V	97.4	Very high	95.2	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-50.9	-52.2	174.2	177.5	0	0	0	0	111	L684 L687 R688 M759 K825 T826 L827	L684-V823 HydrophobicContact CB-CG1 4.28Å; L684-V823 HydrophobicContact CD2-CG1 4.33Å; L684-V823 WeakPolarHBondContact O-CG1 3.3Å; L687-V823 HydrophobicContact CB-CG2 3.99Å; R688-V823 HydrophobicContact CB-CG1 3.8Å; R688-V823 HydrophobicContact CG-CG1 4.32Å; M759-V823 HydrophobicContact CE-CG2 4.44Å; M759-V823 HydrophobicContact SD-CB 4.35Å; M759-V823 HydrophobicContact SD-CG2 3.5Å; M759-V823 WeakPolarHBondContact SD-CG2 3.48Å; V823-K825 PolarHBondContact O-N 2.92Å; V823-T826 WeakPolarHBondContact O-CB 3.35Å; V823-T826 PolarHBondContact O-N 2.78Å; V823-T826 VanDerWaalsContact O-N 3.1Å; V823-L827 HydrophobicContact CG1-CD1 3.93Å; V823-L827 HydrophobicContact CG1-CG 4.42Å; V823-L827 WeakPolarHBondContact O-CG 3.04Å; V823-L827 PolarHBondContact O-N 2.69Å
824	D	95.9	Very high	95.1	Very high	84 Å²	84	63.3 Å²	63.3	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-42.8	-174.2	-39.8	-80.3	0	0	0	111.4	R688 S822 T826 L827 S828	R688-D824 WeakPolarHBondContact CD-OD1 3.47Å; S822-D824 VanDerWaalsContact C-N 3.31Å; S822-D824 PolarHBondContact O-N 2.89Å; D824-T826 PolarHBondContact O-N 3.23Å; D824-L827 PolarHBondContact O-N 3.13Å; D824-S828 PolarHBondContact O-N 3.09Å; D824-S828 PolarHBondContact O-OG 3.06Å; D824-S828 VanDerWaalsContact O-OG 3.12Å
825	K	97.3	Very high	95	Very high	110 Å²	110	61.6 Å²	61.6	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-27.2	175.3	-161.2	-175.2	177.2	-165.7	0	112.6	Y821 S822 V823	Y821-K825 HydrophobicContact CD1-CD 3.87Å; Y821-K825 HydrophobicContact CD2-CB 4.08Å; Y821-K825 HydrophobicContact CD2-CD 3.77Å; Y821-K825 HydrophobicContact CD2-CG 3.67Å; Y821-K825 HydrophobicContact CE1-CD 3.93Å; Y821-K825 HydrophobicContact CE2-CD 3.81Å; Y821-K825 HydrophobicContact CE2-CG 3.85Å; Y821-K825 HydrophobicContact CG-CB 4.3Å; Y821-K825 HydrophobicContact CG-CD 3.81Å; Y821-K825 HydrophobicContact CG-CG 4.1Å; Y821-K825 PolarHBondContact OH-NZ 3.18Å; S822-K825 PolarHBondContact O-N 2.94Å; S822-K825 PolarHBondContact OG-N 3.17Å; V823-K825 PolarHBondContact O-N 2.92Å
826	T	98.4	Very high	95.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-75.5	-43.7	174.9	-51	0	0	0	0	110.6	L684 M759 L808 L812 Y821 S822 V823 D824 S828 H829	L684-T826 HydrophobicContact CD1-CG2 3.57Å; L684-T826 HydrophobicContact CD2-CG2 3.91Å; L684-T826 HydrophobicContact CG-CG2 4.41Å; M759-T826 HydrophobicContact CE-CG2 4.25Å; M759-T826 WeakPolarHBondContact CE-OG1 3.27Å; L808-T826 HydrophobicContact CD1-CG2 3.86Å; L808-T826 HydrophobicContact CD2-CG2 4.15Å; L808-T826 HydrophobicContact CG-CG2 4.36Å; L812-T826 HydrophobicContact CD1-CG2 4.15Å; L812-T826 HydrophobicContact CD2-CG2 4.08Å; Y821-T826 WeakPolarHBondContact CB-OG1 3.43Å; S822-T826 WeakPolarHBondContact O-CB 3.25Å; S822-T826 PolarHBondContact O-N 3.17Å; S822-T826 PolarHBondContact O-OG1 3.4Å; V823-T826 WeakPolarHBondContact O-CB 3.35Å; V823-T826 PolarHBondContact O-N 2.78Å; V823-T826 VanDerWaalsContact O-N 3.1Å; D824-T826 PolarHBondContact O-N 3.23Å; T826-S828 VanDerWaalsContact C-N 3.31Å; T826-S828 PolarHBondContact O-N 3.28Å; T826-H829 VanDerWaalsContact O-CB 3.26Å; T826-H829 WeakPolarHBondContact O-CB 3.49Å; T826-H829 PolarHBondContact O-N 3.4Å; T826-H829 VanDerWaalsContact O-N 3.11Å
827	L	97	Very high	95.3	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.094	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-39.5	174.5	-72.7	170.3	0	0	0	112.1	T681 L684 V685 V823 D824 H829 Q833	T681-L827 HydrophobicContact CG2-CD2 3.82Å; L684-L827 HydrophobicContact CB-CD2 3.62Å; L684-L827 HydrophobicContact CB-CG 4Å; L684-L827 HydrophobicContact CD1-CD2 4.02Å; L684-L827 HydrophobicContact CD1-CG 4.37Å; L684-L827 HydrophobicContact CG-CD2 4.47Å; V685-L827 HydrophobicContact CG2-CD1 4.39Å; V685-L827 HydrophobicContact CG2-CD2 4.23Å; V823-L827 HydrophobicContact CG1-CD1 3.93Å; V823-L827 HydrophobicContact CG1-CG 4.42Å; V823-L827 WeakPolarHBondContact O-CG 3.04Å; V823-L827 PolarHBondContact O-N 2.69Å; D824-L827 PolarHBondContact O-N 3.13Å; L827-H829 PolarHBondContact O-N 2.81Å; L827-Q833 PolarHBondContact O-NE2 2.87Å
828	S	96.2	Very high	95.6	Very high	88 Å²	88	54.4 Å²	54.4	62%	0.615	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	1.1	176	-55.8	0	0	0	0	115	D824 T826	D824-S828 PolarHBondContact O-N 3.09Å; D824-S828 PolarHBondContact O-OG 3.06Å; D824-S828 VanDerWaalsContact O-OG 3.12Å; T826-S828 VanDerWaalsContact C-N 3.31Å; T826-S828 PolarHBondContact O-N 3.28Å
829	H	98.1	Very high	95.8	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.074	23%	0.226	C	C	.	.	S	Bend	trans	-73.8	139.2	-178.7	-171.8	-89.7	0	0	0	111.6	E804 D807 L808 T826 L827 W831 L832 Q833	E804-H829 WeakPolarHBondContact CA-CE1 3.25Å; E804-H829 PolarHBondContact O-CE1 3.35Å; D807-H829 IonicContact OD1-NE2 3.89Å; D807-H829 IonicContact OD2-CD2 2.83Å; D807-H829 IonicContact OD2-CE1 3.26Å; D807-H829 CovalentContact OD2-NE2 1.78Å; D807-H829 IonicContact OD2-NE2 3.86Å; D807-H829 PolarHBondContact OD2-NE2 2.82Å; L808-H829 HydrophobicContact CD1-CB 3.76Å; L808-H829 HydrophobicContact CD2-CB 4.47Å; T826-H829 VanDerWaalsContact O-CB 3.26Å; T826-H829 WeakPolarHBondContact O-CB 3.49Å; T826-H829 PolarHBondContact O-N 3.4Å; T826-H829 VanDerWaalsContact O-N 3.11Å; L827-H829 PolarHBondContact O-N 2.81Å; H829-W831 VanDerWaalsContact ND1-CB 3.33Å; H829-W831 WeakPolarHBondContact ND1-CB 3.36Å; H829-W831 PolarHBondContact ND1-N 3.31Å; H829-W831 PolarHBondContact O-N 2.95Å; H829-L832 PolarHBondContact O-N 3.16Å; H829-Q833 WeakPolarHBondContact O-CG 3.26Å; H829-Q833 PolarHBondContact O-N 2.86Å
830	P	96.7	Very high	95.9	Very high	91 Å²	91	37.3 Å²	37.3	59%	0.591	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-51.9	-30	-179.8	-30.6	36.8	0	0	0	115.2	L832 Q833	P830-L832 PolarHBondContact O-N 2.78Å; P830-Q833 PolarHBondContact O-N 3.34Å
831	W	97.9	Very high	95.9	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.011	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.2	176	-171	68.2	0	0	0	113.3	E673 T676 K677 I766 L770 S802 E804 A805 L808 H829	E673-W831 HydrophobicContact CB-CZ2 4.42Å; E673-W831 HydrophobicContact CG-CZ2 4.3Å; E673-W831 PolarHBondContact OE2-NE1 3.23Å; T676-W831 HydrophobicContact CG2-CH2 3.99Å; K677-W831 WeakPolarHBondContact CD-O 3.25Å; K677-W831 WeakPolarHBondContact CE-O 3.19Å; K677-W831 HydrophobicContact CG-CD2 3.88Å; K677-W831 HydrophobicContact CG-CE3 4.04Å; K677-W831 HydrophobicContact CG-CH2 3.84Å; K677-W831 HydrophobicContact CG-CZ2 3.62Å; K677-W831 HydrophobicContact CG-CZ3 4.04Å; K677-W831 PolarHBondContact NZ-O 3.25Å; I766-W831 HydrophobicContact CD1-CZ3 4.46Å; I766-W831 HydrophobicContact CG1-CZ3 4.46Å; I766-W831 HydrophobicContact CG2-CH2 3.88Å; I766-W831 HydrophobicContact CG2-CZ3 4.23Å; L770-W831 HydrophobicContact CD1-CZ2 4.12Å; S802-W831 PolarHBondContact OG-NE1 2.59Å; E804-W831 HydrophobicContact CB-CB 3.99Å; E804-W831 HydrophobicContact CB-CG 4.37Å; A805-W831 HydrophobicContact CB-CD2 4.32Å; A805-W831 HydrophobicContact CB-CG 4.4Å; A805-W831 HydrophobicContact CB-CZ2 4.07Å; L808-W831 HydrophobicContact CD2-CB 4.44Å; L808-W831 HydrophobicContact CD2-CD2 4.38Å; L808-W831 HydrophobicContact CD2-CE3 3.52Å; L808-W831 HydrophobicContact CD2-CZ3 4.15Å; H829-W831 VanDerWaalsContact ND1-CB 3.33Å; H829-W831 WeakPolarHBondContact ND1-CB 3.36Å; H829-W831 PolarHBondContact ND1-N 3.31Å; H829-W831 PolarHBondContact O-N 2.95Å
832	L	96.7	Very high	95.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-103.4	-0	176.8	-61.4	-176.1	0	0	0	113.6	K677 L684 L808 H829 P830 M837	K677-L832 HydrophobicContact CB-CD2 3.9Å; K677-L832 HydrophobicContact CG-CD2 4.05Å; L684-L832 HydrophobicContact CD1-CD1 3.54Å; L808-L832 HydrophobicContact CD2-CG 4.39Å; H829-L832 PolarHBondContact O-N 3.16Å; P830-L832 PolarHBondContact O-N 2.78Å; L832-M837 HydrophobicContact CB-CE 4.35Å; L832-M837 WeakPolarHBondContact O-CE 3.42Å; L832-M837 VanDerWaalsContact O-SD 3.34Å
833	Q	93.3	Very high	95.6	Very high	65 Å²	65	37.7 Å²	37.7	30%	0.304	20%	0.198	S	C	.	.			trans	-112.7	66.3	-173.8	-65.7	-67.7	-45.5	0	0	110.8	L827 H829 P830 R861	L827-Q833 PolarHBondContact O-NE2 2.87Å; H829-Q833 WeakPolarHBondContact O-CG 3.26Å; H829-Q833 PolarHBondContact O-N 2.86Å; P830-Q833 PolarHBondContact O-N 3.34Å; Q833-R861 VanDerWaalsContact OE1-CZ 3.31Å
834	D	92.4	Very high	95.5	Very high	45 Å²	45	37.6 Å²	37.6	24%	0.241	20%	0.198	C	C	.	.			trans	-126.6	151.7	175.1	79.6	69.5	0	0	0	113.1	K677 Q836 M837 W838	K677-D834 IonicContact NZ-OD2 2.69Å; K677-D834 PolarHBondContact NZ-OD2 2.64Å; D834-Q836 VanDerWaalsContact C-N 3.33Å; D834-Q836 PolarHBondContact O-N 3.29Å; D834-Q836 PolarHBondContact OD1-N 2.87Å; D834-Q836 VanDerWaalsContact OD1-N 3.1Å; D834-M837 WeakPolarHBondContact O-CB 3.42Å; D834-M837 PolarHBondContact O-N 3.48Å; D834-M837 WeakPolarHBondContact OD1-CB 3.25Å; D834-M837 PolarHBondContact OD1-N 3.33Å; D834-W838 PolarHBondContact O-N 2.89Å
835	Y	93.3	Very high	95.5	Very high	21 Å²	21	33.8 Å²	33.8	8%	0.082	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-38.6	-173.9	-177.6	-119.5	0	0	0	113.2	M837 W838 L839 W862 A866 L871 D872 Y873	Y835-M837 VanDerWaalsContact C-N 3.35Å; Y835-W838 AromaticContact CD2-CE3 3.77Å; Y835-W838 HydrophobicContact CD2-CE3 3.77Å; Y835-W838 HydrophobicContact CD2-CZ3 4.11Å; Y835-W838 AromaticContact CE2-CE3 3.58Å; Y835-W838 HydrophobicContact CE2-CE3 3.58Å; Y835-W838 AromaticContact CE2-CZ3 3.42Å; Y835-W838 HydrophobicContact CE2-CZ3 3.42Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.42Å; Y835-W838 PolarHBondContact O-N 2.98Å; Y835-L839 HydrophobicContact CD1-CD1 3.97Å; Y835-L839 HydrophobicContact CE1-CD1 3.6Å; Y835-L839 HydrophobicContact CE1-CG 4.22Å; Y835-L839 HydrophobicContact CE2-CG 4.39Å; Y835-L839 WeakPolarHBondContact O-CG 3.3Å; Y835-L839 PolarHBondContact O-N 2.82Å; Y835-W862 HydrophobicContact CD2-CB 3.83Å; Y835-W862 AromaticContact CD2-CD2 3.96Å; Y835-W862 HydrophobicContact CD2-CD2 3.96Å; Y835-W862 AromaticContact CD2-CE3 3.65Å; Y835-W862 HydrophobicContact CD2-CE3 3.65Å; Y835-W862 HydrophobicContact CD2-CG 4.06Å; Y835-W862 HydrophobicContact CE2-CB 3.91Å; Y835-W862 HydrophobicContact CG-CE3 4.16Å; Y835-A866 HydrophobicContact CE1-CB 4.49Å; Y835-A866 HydrophobicContact CE2-CB 4.13Å; Y835-L871 HydrophobicContact CD1-CD1 3.7Å; Y835-L871 HydrophobicContact CE1-CB 4.04Å; Y835-L871 HydrophobicContact CE1-CD1 4.01Å; Y835-D872 PolarHBondContact OH-O 3.43Å; Y835-Y873 HydrophobicContact CE2-CD2 4.48Å
836	Q	93.9	Very high	95.2	Very high	74 Å²	74	31.2 Å²	31.2	35%	0.346	18%	0.182	S	C	.	.	H	α-helix	trans	-69.8	-36.7	-179.2	178.1	63	106.6	0	0	111.2	R674 D834 L839 D840	R674-Q836 VanDerWaalsContact CZ-CG 3.46Å; R674-Q836 VanDerWaalsContact NH1-CD 3.33Å; R674-Q836 VanDerWaalsContact NH2-NE2 3.15Å; D834-Q836 VanDerWaalsContact C-N 3.33Å; D834-Q836 PolarHBondContact O-N 3.29Å; D834-Q836 PolarHBondContact OD1-N 2.87Å; D834-Q836 VanDerWaalsContact OD1-N 3.1Å; Q836-L839 PolarHBondContact O-N 2.91Å; Q836-D840 PolarHBondContact NE2-OD1 3.34Å; Q836-D840 VanDerWaalsContact O-CG 3.23Å; Q836-D840 PolarHBondContact O-N 3.42Å
837	M	94.6	Very high	95	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.069	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-44	172.7	175.1	-77.8	-161.8	0	0	111.5	T681 L832 D834 Y835 L839 D840 L841	T681-M837 HydrophobicContact CG2-CE 3.59Å; T681-M837 WeakPolarHBondContact OG1-CE 3.33Å; L832-M837 HydrophobicContact CB-CE 4.35Å; L832-M837 WeakPolarHBondContact O-CE 3.42Å; L832-M837 VanDerWaalsContact O-SD 3.34Å; D834-M837 WeakPolarHBondContact O-CB 3.42Å; D834-M837 PolarHBondContact O-N 3.48Å; D834-M837 WeakPolarHBondContact OD1-CB 3.25Å; D834-M837 PolarHBondContact OD1-N 3.33Å; Y835-M837 VanDerWaalsContact C-N 3.35Å; M837-L839 PolarHBondContact O-N 3.03Å; M837-D840 PolarHBondContact O-N 3.42Å; M837-L841 HydrophobicContact CE-CD1 3.55Å; M837-L841 HydrophobicContact CE-CG 4.35Å; M837-L841 WeakPolarHBondContact O-CG 3.5Å; M837-L841 PolarHBondContact O-N 3.49Å; M837-L841 HydrophobicContact SD-CD1 3.66Å; M837-L841 HydrophobicContact SD-CG 4.13Å
838	W	94.7	Very high	94.6	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-46.4	174	167.4	85.5	0	0	0	111.2	D834 Y835 D840 L841 R842 D859 W862 Y873 F877	D834-W838 PolarHBondContact O-N 2.89Å; Y835-W838 AromaticContact CD2-CE3 3.77Å; Y835-W838 HydrophobicContact CD2-CE3 3.77Å; Y835-W838 HydrophobicContact CD2-CZ3 4.11Å; Y835-W838 AromaticContact CE2-CE3 3.58Å; Y835-W838 HydrophobicContact CE2-CE3 3.58Å; Y835-W838 AromaticContact CE2-CZ3 3.42Å; Y835-W838 HydrophobicContact CE2-CZ3 3.42Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.42Å; Y835-W838 PolarHBondContact O-N 2.98Å; W838-D840 VanDerWaalsContact C-N 3.33Å; W838-D840 PolarHBondContact O-N 2.94Å; W838-L841 PolarHBondContact O-N 3.42Å; W838-L841 VanDerWaalsContact O-N 3.15Å; W838-R842 HydrophobicContact CD2-CG 3.98Å; W838-R842 VanDerWaalsContact CE2-CG 3.48Å; W838-R842 HydrophobicContact CG-CG 4.27Å; W838-R842 HydrophobicContact CH2-CG 4.48Å; W838-R842 HydrophobicContact CZ2-CG 3.78Å; W838-R842 WeakPolarHBondContact O-CG 3.26Å; W838-R842 PolarHBondContact O-N 3.23Å; W838-D859 HydrophobicContact CZ2-CB 4.39Å; W838-D859 VanDerWaalsContact CZ2-OD1 3.31Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.36Å; W838-D859 PolarHBondContact NE1-OD1 3.02Å; W838-W862 HydrophobicContact CB-CD2 4.5Å; W838-W862 HydrophobicContact CB-CG 4.27Å; W838-W862 AromaticContact CD1-CD1 3.34Å; W838-W862 AromaticContact CD1-NE1 3.75Å; W838-W862 HydrophobicContact CD2-CB 3.89Å; W838-W862 AromaticContact CD2-CD1 3.48Å; W838-W862 VanDerWaalsContact CD2-CD1 3.48Å; W838-W862 AromaticContact CD2-CG 3.8Å; W838-W862 HydrophobicContact CD2-CG 3.8Å; W838-W862 AromaticContact CE2-CD1 3.81Å; W838-W862 HydrophobicContact CE3-CB 3.84Å; W838-W862 HydrophobicContact CE3-CG 4.05Å; W838-W862 AromaticContact CG-CD1 3.2Å; W838-W862 AromaticContact CG-CG 3.9Å; W838-W862 HydrophobicContact CG-CG 3.9Å; W838-W862 AromaticContact CG-NE1 3.57Å; W838-W862 HydrophobicContact CH2-CB 4.33Å; W838-W862 HydrophobicContact CZ2-CB 4.32Å; W838-W862 HydrophobicContact CZ3-CB 4.07Å; W838-W862 AromaticContact NE1-CD1 3.66Å; W838-Y873 HydrophobicContact CH2-CD2 4.08Å; W838-Y873 AromaticContact CH2-CE2 3.31Å; W838-Y873 HydrophobicContact CH2-CE2 3.31Å; W838-Y873 AromaticContact CH2-CZ 3.66Å; W838-Y873 HydrophobicContact CZ2-CE2 4.11Å; W838-Y873 HydrophobicContact CZ3-CD2 4.33Å; W838-Y873 AromaticContact CZ3-CE2 3.94Å; W838-Y873 HydrophobicContact CZ3-CE2 3.94Å; W838-F877 AromaticContact CH2-CD2 3.95Å; W838-F877 HydrophobicContact CH2-CD2 3.95Å; W838-F877 HydrophobicContact CZ2-CD2 4.49Å
839	L	94.4	Very high	94.4	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-55.3	-45.3	173.5	-75.8	174.6	0	0	0	112.2	Y835 Q836 M837 L841 R842 N843 P874 F877	Y835-L839 HydrophobicContact CD1-CD1 3.97Å; Y835-L839 HydrophobicContact CE1-CD1 3.6Å; Y835-L839 HydrophobicContact CE1-CG 4.22Å; Y835-L839 HydrophobicContact CE2-CG 4.39Å; Y835-L839 WeakPolarHBondContact O-CG 3.3Å; Y835-L839 PolarHBondContact O-N 2.82Å; Q836-L839 PolarHBondContact O-N 2.91Å; M837-L839 PolarHBondContact O-N 3.03Å; L839-L841 VanDerWaalsContact C-N 3.32Å; L839-L841 PolarHBondContact O-N 3.15Å; L839-R842 PolarHBondContact O-N 2.96Å; L839-N843 WeakPolarHBondContact O-CB 3.23Å; L839-N843 VanDerWaalsContact O-CG 3.32Å; L839-N843 PolarHBondContact O-N 3.31Å; L839-N843 PolarHBondContact O-ND2 2.66Å; L839-P874 HydrophobicContact CD2-CG 3.69Å; L839-F877 HydrophobicContact CD2-CE2 4.07Å
840	D	95.8	Very high	94	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-38.8	179	-70.5	-20.1	0	0	0	111.6	R674 F678 F713 Q836 M837 W838 L844	R674-D840 IonicContact CZ-OD1 3.51Å; R674-D840 IonicContact CZ-OD2 3.95Å; R674-D840 IonicContact NE-OD1 3.79Å; R674-D840 IonicContact NE-OD2 3.99Å; R674-D840 PolarHBondContact NE-OD2 2.99Å; R674-D840 IonicContact NH2-OD1 2.77Å; R674-D840 PolarHBondContact NH2-OD1 2.72Å; R674-D840 IonicContact NH2-OD2 3.57Å; R674-D840 PolarHBondContact NH2-OD2 3.23Å; F678-D840 HydrophobicContact CD2-CB 3.8Å; F678-D840 HydrophobicContact CE2-CB 4.15Å; F678-D840 WeakPolarHBondContact CE2-O 3.37Å; F713-D840 HydrophobicContact CD1-CB 4.21Å; F713-D840 HydrophobicContact CE1-CB 4.28Å; F713-D840 VanDerWaalsContact CE1-OD2 3.23Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.29Å; Q836-D840 PolarHBondContact NE2-OD1 3.34Å; Q836-D840 VanDerWaalsContact O-CG 3.23Å; Q836-D840 PolarHBondContact O-N 3.42Å; M837-D840 PolarHBondContact O-N 3.42Å; W838-D840 VanDerWaalsContact C-N 3.33Å; W838-D840 PolarHBondContact O-N 2.94Å; D840-L844 PolarHBondContact O-N 3.33Å; D840-L844 VanDerWaalsContact O-N 3.14Å
841	L	95.9	Very high	93.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-47.4	175.1	-68.1	-175.8	0	0	0	112.9	F678 T681 M837 W838 L839 N843 L844 E845 I853 T854	F678-L841 HydrophobicContact CD2-CD2 3.73Å; F678-L841 HydrophobicContact CD2-CG 4.49Å; F678-L841 HydrophobicContact CE2-CD2 3.88Å; T681-L841 HydrophobicContact CG2-CD1 4.02Å; M837-L841 HydrophobicContact CE-CD1 3.55Å; M837-L841 HydrophobicContact CE-CG 4.35Å; M837-L841 WeakPolarHBondContact O-CG 3.5Å; M837-L841 PolarHBondContact O-N 3.49Å; M837-L841 HydrophobicContact SD-CD1 3.66Å; M837-L841 HydrophobicContact SD-CG 4.13Å; W838-L841 PolarHBondContact O-N 3.42Å; W838-L841 VanDerWaalsContact O-N 3.15Å; L839-L841 VanDerWaalsContact C-N 3.32Å; L839-L841 PolarHBondContact O-N 3.15Å; L841-N843 PolarHBondContact O-N 2.69Å; L841-L844 WeakPolarHBondContact O-CA 3.49Å; L841-L844 WeakPolarHBondContact O-CB 3.08Å; L841-L844 PolarHBondContact O-N 2.97Å; L841-E845 WeakPolarHBondContact O-CG 3.5Å; L841-E845 PolarHBondContact O-N 2.99Å; L841-I853 HydrophobicContact CD1-CB 4.47Å; L841-I853 HydrophobicContact CD1-CG2 3.72Å; L841-I853 HydrophobicContact CD2-CD1 4Å; L841-I853 HydrophobicContact CD2-CG2 3.97Å; L841-I853 HydrophobicContact CG-CG2 4.4Å; L841-T854 HydrophobicContact CB-CG2 3.67Å; L841-T854 HydrophobicContact CD1-CG2 3.94Å
842	R	94.1	Very high	93.6	Very high	29 Å²	29	47 Å²	47	11%	0.109	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-33.9	177	-59.8	-59.2	-80.6	127.4	-2.8	111.5	W838 L839 L844 E845 G846 R851 T854 D859 F877	W838-R842 HydrophobicContact CD2-CG 3.98Å; W838-R842 VanDerWaalsContact CE2-CG 3.48Å; W838-R842 HydrophobicContact CG-CG 4.27Å; W838-R842 HydrophobicContact CH2-CG 4.48Å; W838-R842 HydrophobicContact CZ2-CG 3.78Å; W838-R842 WeakPolarHBondContact O-CG 3.26Å; W838-R842 PolarHBondContact O-N 3.23Å; L839-R842 PolarHBondContact O-N 2.96Å; R842-L844 VanDerWaalsContact C-N 3.34Å; R842-E845 WeakPolarHBondContact CD-OE2 3.12Å; R842-E845 IonicContact CZ-OE2 3.37Å; R842-E845 IonicContact NH1-OE2 3.61Å; R842-E845 PolarHBondContact NH1-OE2 2.88Å; R842-E845 PolarHBondContact O-N 3.49Å; R842-G846 PolarHBondContact O-N 3.38Å; R842-R851 VanDerWaalsContact CZ-CZ 3.42Å; R842-T854 WeakPolarHBondContact CD-OG1 3.27Å; R842-T854 HydrophobicContact CG-CG2 4.45Å; R842-D859 IonicContact CZ-OD1 3.75Å; R842-D859 IonicContact CZ-OD2 3.72Å; R842-D859 IonicContact NE-OD1 2.68Å; R842-D859 PolarHBondContact NE-OD1 3.06Å; R842-D859 VanDerWaalsContact NE-OD1 3.08Å; R842-D859 IonicContact NE-OD2 3.79Å; R842-D859 IonicContact NH2-OD1 2.73Å; R842-D859 IonicContact NH2-OD2 2.83Å; R842-D859 PolarHBondContact NH2-OD2 3.08Å; R842-F877 HydrophobicContact CB-CD1 4.26Å; R842-F877 HydrophobicContact CB-CD2 4.21Å; R842-F877 HydrophobicContact CB-CE1 3.71Å; R842-F877 HydrophobicContact CB-CE2 3.65Å; R842-F877 HydrophobicContact CB-CZ 3.39Å; R842-F877 HydrophobicContact CG-CE2 4.39Å
843	N	94.4	Very high	93.5	Very high	80 Å²	80	47.6 Å²	47.6	43%	0.428	24%	0.237	S	C	.	.	H	α-helix	trans	-71.1	-21.3	172.2	-77.3	-52.7	0	0	0	114.2	L839 L841 R847	L839-N843 WeakPolarHBondContact O-CB 3.23Å; L839-N843 VanDerWaalsContact O-CG 3.32Å; L839-N843 PolarHBondContact O-N 3.31Å; L839-N843 PolarHBondContact O-ND2 2.66Å; L841-N843 PolarHBondContact O-N 2.69Å; N843-R847 WeakPolarHBondContact O-CG 3.14Å; N843-R847 PolarHBondContact O-NE 2.95Å; N843-R847 VanDerWaalsContact O-NE 3.1Å
844	L	95.3	Very high	93.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-77.9	-50.6	167	178.8	63.5	0	0	0	110.5	F678 Q682 Q715 D840 L841 R842 G846 R847 M848 I853	F678-L844 HydrophobicContact CE2-CB 4.23Å; F678-L844 HydrophobicContact CE2-CD2 4.32Å; F678-L844 HydrophobicContact CZ-CB 4.19Å; F678-L844 HydrophobicContact CZ-CD2 3.83Å; F678-L844 HydrophobicContact CZ-CG 4.47Å; Q682-L844 VanDerWaalsContact CD-CD2 3.49Å; Q682-L844 HydrophobicContact CG-CD2 4.41Å; Q715-L844 HydrophobicContact CB-CD1 4.21Å; D840-L844 PolarHBondContact O-N 3.33Å; D840-L844 VanDerWaalsContact O-N 3.14Å; L841-L844 WeakPolarHBondContact O-CA 3.49Å; L841-L844 WeakPolarHBondContact O-CB 3.08Å; L841-L844 PolarHBondContact O-N 2.97Å; R842-L844 VanDerWaalsContact C-N 3.34Å; L844-G846 VanDerWaalsContact C-N 3.31Å; L844-G846 PolarHBondContact O-N 2.87Å; L844-R847 PolarHBondContact O-N 2.84Å; L844-M848 HydrophobicContact CD1-CG 4.27Å; L844-M848 HydrophobicContact CG-CG 4.38Å; L844-M848 WeakPolarHBondContact O-CG 3.32Å; L844-M848 PolarHBondContact O-N 3.14Å; L844-I853 HydrophobicContact CD2-CD1 3.81Å
845	E	94.8	Very high	93.4	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-41.2	-179.7	-67.5	179.9	139.9	0	0	112.2	L841 R842 R847 M848 N849 E850 R851 Y852 I853 T854	L841-E845 WeakPolarHBondContact O-CG 3.5Å; L841-E845 PolarHBondContact O-N 2.99Å; R842-E845 WeakPolarHBondContact CD-OE2 3.12Å; R842-E845 IonicContact CZ-OE2 3.37Å; R842-E845 IonicContact NH1-OE2 3.61Å; R842-E845 PolarHBondContact NH1-OE2 2.88Å; R842-E845 PolarHBondContact O-N 3.49Å; E845-R847 VanDerWaalsContact C-N 3.34Å; E845-R847 PolarHBondContact O-N 2.59Å; E845-M848 CarbonylContact O-C 3.56Å; E845-M848 PolarHBondContact O-N 3.43Å; E845-N849 PolarHBondContact O-N 3.41Å; E845-E850 WeakPolarHBondContact CA-O 3.48Å; E845-E850 WeakPolarHBondContact CB-O 3.43Å; E845-E850 PolarHBondContact O-N 2.96Å; E845-R851 WeakPolarHBondContact OE1-CG 3.4Å; E845-Y852 PolarHBondContact OE1-N 2.89Å; E845-I853 HydrophobicContact CG-CD1 4.21Å; E845-I853 HydrophobicContact CG-CG1 4.32Å; E845-I853 WeakPolarHBondContact OE1-CA 3.41Å; E845-I853 PolarHBondContact OE1-N 3.18Å; E845-T854 PolarHBondContact OE1-N 3.16Å; E845-T854 PolarHBondContact OE2-OG1 3.25Å
846	G	92	Very high	93.1	Very high	55 Å²	55	52.6 Å²	52.6	57%	0.567	26%	0.26	S	S	*	.	H	α-helix	trans	-65.4	-30.2	174.4	0	0	0	0	0	114.3	R842 L844	R842-G846 PolarHBondContact O-N 3.38Å; L844-G846 VanDerWaalsContact C-N 3.31Å; L844-G846 PolarHBondContact O-N 2.87Å
847	R	92.7	Very high	92.7	Very high	138 Å²	138	52.2 Å²	52.2	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-78.1	-29.1	171.8	-74	-174.8	-63.8	149.8	0.9	112.7	D711 F713 N843 L844 E845	D711-R847 IonicContact OD2-NH1 3.65Å; D711-R847 PolarHBondContact OD2-NH1 3.47Å; F713-R847 PolarHBondContact O-NH2 3.06Å; N843-R847 WeakPolarHBondContact O-CG 3.14Å; N843-R847 PolarHBondContact O-NE 2.95Å; N843-R847 VanDerWaalsContact O-NE 3.1Å; L844-R847 PolarHBondContact O-N 2.84Å; E845-R847 VanDerWaalsContact C-N 3.34Å; E845-R847 PolarHBondContact O-N 2.59Å
848	M	90.3	Very high	92.4	Very high	69 Å²	69	52.9 Å²	52.9	34%	0.34	27%	0.27	S	S	.	.	H	α-helix	trans	-78.2	-21.1	174.7	-69.4	-59.6	-50.7	0	0	113	Q715 L844 E845 E850	Q715-M848 HydrophobicContact CB-SD 4.49Å; L844-M848 HydrophobicContact CD1-CG 4.27Å; L844-M848 HydrophobicContact CG-CG 4.38Å; L844-M848 WeakPolarHBondContact O-CG 3.32Å; L844-M848 PolarHBondContact O-N 3.14Å; E845-M848 CarbonylContact O-C 3.56Å; E845-M848 PolarHBondContact O-N 3.43Å; M848-E850 HydrophobicContact CB-CB 4.38Å; M848-E850 PolarHBondContact O-N 3.32Å
849	N	90.6	Very high	92.1	Very high	157 Å²	157	53.7 Å²	53.7	84%	0.84	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	34.5	-166.6	-161.8	91.4	0	0	0	112.3	E845	E845-N849 PolarHBondContact O-N 3.41Å
850	E	90.4	Very high	91.7	Very high	92 Å²	92	58.6 Å²	58.6	43%	0.43	30%	0.3	S	S	.	.			trans	-149.7	128.5	-179.2	-174.4	-179	-175.1	0	0	109.5	P633 E845 M848 Y852	P633-E850 VanDerWaalsContact CG-CD 3.42Å; P633-E850 WeakPolarHBondContact CG-OE1 3.26Å; P633-E850 WeakPolarHBondContact CG-OE2 3.46Å; E845-E850 WeakPolarHBondContact CA-O 3.48Å; E845-E850 WeakPolarHBondContact CB-O 3.43Å; E845-E850 PolarHBondContact O-N 2.96Å; M848-E850 HydrophobicContact CB-CB 4.38Å; M848-E850 PolarHBondContact O-N 3.32Å; E850-Y852 HydrophobicContact CG-CD1 4.42Å
851	R	92.8	Very high	91.4	Very high	64 Å²	64	63 Å²	63	24%	0.242	32%	0.316	C	S	.	.			trans	-93.3	122	171.4	-167.1	-174.1	-158.4	138.8	14	109.2	R842 E845 T854 H855 E856 D859	R842-R851 VanDerWaalsContact CZ-CZ 3.42Å; E845-R851 WeakPolarHBondContact OE1-CG 3.4Å; R851-T854 WeakPolarHBondContact CG-O 3.33Å; R851-T854 PolarHBondContact NE-O 2.78Å; R851-T854 PolarHBondContact NE-OG1 3.35Å; R851-T854 PolarHBondContact NH2-OG1 2.9Å; R851-H855 VanDerWaalsContact CZ-C 3.49Å; R851-H855 PolarHBondContact NH2-O 2.86Å; R851-H855 VanDerWaalsContact NH2-O 3.1Å; R851-E856 WeakPolarHBondContact CD-OE1 3.43Å; R851-E856 IonicContact CZ-OE1 2.67Å; R851-E856 IonicContact NE-OE1 2.61Å; R851-E856 PolarHBondContact NE-OE1 2.93Å; R851-E856 VanDerWaalsContact NH1-CD 3.34Å; R851-E856 IonicContact NH1-OE1 2.68Å; R851-E856 PolarHBondContact NH1-OE1 3.1Å; R851-D859 IonicContact CZ-OD1 3.8Å; R851-D859 IonicContact CZ-OD2 2.85Å; R851-D859 VanDerWaalsContact CZ-OD2 3.26Å; R851-D859 IonicContact NH1-OD2 3.54Å; R851-D859 PolarHBondContact NH1-OD2 2.79Å; R851-D859 IonicContact NH2-OD1 2.72Å; R851-D859 PolarHBondContact NH2-OD1 2.98Å; R851-D859 IonicContact NH2-OD2 2.68Å; R851-D859 PolarHBondContact NH2-OD2 3.22Å
852	Y	93.9	Very high	91.2	Very high	27 Å²	27	63.8 Å²	63.8	11%	0.106	32%	0.318	C	S	.	.			trans	-149.5	-7.3	-179.1	73.9	-88.2	0	0	0	114.5	P633 V685 Q715 E845 E850	P633-Y852 HydrophobicContact CB-CD1 3.91Å; P633-Y852 HydrophobicContact CB-CD2 4.02Å; P633-Y852 HydrophobicContact CB-CE1 3.74Å; P633-Y852 HydrophobicContact CB-CE2 3.86Å; P633-Y852 HydrophobicContact CB-CG 4.05Å; P633-Y852 HydrophobicContact CG-CD1 3.91Å; P633-Y852 HydrophobicContact CG-CD2 4.13Å; P633-Y852 HydrophobicContact CG-CE1 4.26Å; P633-Y852 HydrophobicContact CG-CE2 4.47Å; P633-Y852 HydrophobicContact CG-CG 3.84Å; V685-Y852 HydrophobicContact CG1-CD2 4.33Å; V685-Y852 VanDerWaalsContact CG1-O 3.32Å; V685-Y852 WeakPolarHBondContact CG1-O 3.3Å; Q715-Y852 PolarHBondContact NE2-OH 2.86Å; E845-Y852 PolarHBondContact OE1-N 2.89Å; E850-Y852 HydrophobicContact CG-CD1 4.42Å
853	I	94.7	Very high	91	Very high	15 Å²	15	63.8 Å²	63.8	8%	0.077	32%	0.321	C	S	.	.	S	Bend	trans	-111.4	-49.6	-174.3	-40.1	170.8	0	0	0	110.4	T681 Q682 V685 L841 L844 E845	T681-I853 HydrophobicContact CG2-CG2 3.99Å; Q682-I853 HydrophobicContact CG-CD1 4.05Å; V685-I853 HydrophobicContact CB-CG2 4.49Å; V685-I853 HydrophobicContact CG2-CG2 3.88Å; L841-I853 HydrophobicContact CD1-CB 4.47Å; L841-I853 HydrophobicContact CD1-CG2 3.72Å; L841-I853 HydrophobicContact CD2-CD1 4Å; L841-I853 HydrophobicContact CD2-CG2 3.97Å; L841-I853 HydrophobicContact CG-CG2 4.4Å; L844-I853 HydrophobicContact CD2-CD1 3.81Å; E845-I853 HydrophobicContact CG-CD1 4.21Å; E845-I853 HydrophobicContact CG-CG1 4.32Å; E845-I853 WeakPolarHBondContact OE1-CA 3.41Å; E845-I853 PolarHBondContact OE1-N 3.18Å
854	T	92.9	Very high	90.7	Very high	13 Å²	13	65.2 Å²	65.2	8%	0.08	33%	0.325	C	S	.	.	S	Bend	trans	-94.8	162.1	177.9	73.2	0	0	0	0	111.1	L841 R842 E845 R851	L841-T854 HydrophobicContact CB-CG2 3.67Å; L841-T854 HydrophobicContact CD1-CG2 3.94Å; R842-T854 WeakPolarHBondContact CD-OG1 3.27Å; R842-T854 HydrophobicContact CG-CG2 4.45Å; E845-T854 PolarHBondContact OE1-N 3.16Å; E845-T854 PolarHBondContact OE2-OG1 3.25Å; R851-T854 WeakPolarHBondContact CG-O 3.33Å; R851-T854 PolarHBondContact NE-O 2.78Å; R851-T854 PolarHBondContact NE-OG1 3.35Å; R851-T854 PolarHBondContact NH2-OG1 2.9Å
855	H	89.4	Confident	90.5	Very high	115 Å²	115	68.4 Å²	68.4	53%	0.532	34%	0.339	S	S	.	.			trans	-117.8	153.7	177.4	-173.4	-113.5	0	0	0	111.2	R851 S857 D858	R851-H855 VanDerWaalsContact CZ-C 3.49Å; R851-H855 PolarHBondContact NH2-O 2.86Å; R851-H855 VanDerWaalsContact NH2-O 3.1Å; H855-S857 PolarHBondContact ND1-OG 3.36Å; H855-S857 PolarHBondContact O-N 3.03Å; H855-S857 VanDerWaalsContact O-N 3.13Å; H855-D858 PolarHBondContact N-OD2 3.09Å; H855-D858 WeakPolarHBondContact O-CA 3.26Å; H855-D858 WeakPolarHBondContact O-CB 3.28Å; H855-D858 PolarHBondContact O-N 3.28Å
856	E	87.1	Confident	90.3	Very high	108 Å²	108	68.3 Å²	68.3	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-51.8	-37.3	-179	-77.9	52.8	-132.1	0	0	112.9	R851 D858 D859	R851-E856 WeakPolarHBondContact CD-OE1 3.43Å; R851-E856 IonicContact CZ-OE1 2.67Å; R851-E856 IonicContact NE-OE1 2.61Å; R851-E856 PolarHBondContact NE-OE1 2.93Å; R851-E856 VanDerWaalsContact NH1-CD 3.34Å; R851-E856 IonicContact NH1-OE1 2.68Å; R851-E856 PolarHBondContact NH1-OE1 3.1Å; E856-D858 PolarHBondContact O-N 3.01Å; E856-D859 PolarHBondContact O-N 3.23Å; E856-D859 VanDerWaalsContact O-N 3.09Å
857	S	85.9	Confident	90.2	Very high	66 Å²	66	72 Å²	72	46%	0.462	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-21.1	175.8	62	0	0	0	0	114.2	H855 D859 R861	H855-S857 PolarHBondContact ND1-OG 3.36Å; H855-S857 PolarHBondContact O-N 3.03Å; H855-S857 VanDerWaalsContact O-N 3.13Å; S857-D859 VanDerWaalsContact C-N 3.32Å; S857-R861 WeakPolarHBondContact O-CB 3.35Å; S857-R861 PolarHBondContact O-N 3.12Å
858	D	88.1	Confident	90.3	Very high	28 Å²	28	71.6 Å²	71.6	15%	0.15	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-36.5	173.5	-64.3	-41.7	0	0	0	111.1	H855 E856 R861 W862	H855-D858 PolarHBondContact N-OD2 3.09Å; H855-D858 WeakPolarHBondContact O-CA 3.26Å; H855-D858 WeakPolarHBondContact O-CB 3.28Å; H855-D858 PolarHBondContact O-N 3.28Å; E856-D858 PolarHBondContact O-N 3.01Å; D858-R861 PolarHBondContact O-N 3.48Å; D858-R861 IonicContact OD1-CZ 2.84Å; D858-R861 IonicContact OD1-NE 3.42Å; D858-R861 IonicContact OD1-NH2 2.69Å; D858-R861 PolarHBondContact OD1-NH2 3.32Å; D858-W862 WeakPolarHBondContact O-CB 3.34Å; D858-W862 PolarHBondContact O-N 3.45Å
859	D	88.8	Confident	90.3	Very high	21 Å²	21	71 Å²	71	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-43.7	-171.9	-60.2	-22.5	0	0	0	110.7	W838 R842 R851 E856 S857 L863 Y873	W838-D859 HydrophobicContact CZ2-CB 4.39Å; W838-D859 VanDerWaalsContact CZ2-OD1 3.31Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.36Å; W838-D859 PolarHBondContact NE1-OD1 3.02Å; R842-D859 IonicContact CZ-OD1 3.75Å; R842-D859 IonicContact CZ-OD2 3.72Å; R842-D859 IonicContact NE-OD1 2.68Å; R842-D859 PolarHBondContact NE-OD1 3.06Å; R842-D859 VanDerWaalsContact NE-OD1 3.08Å; R842-D859 IonicContact NE-OD2 3.79Å; R842-D859 IonicContact NH2-OD1 2.73Å; R842-D859 IonicContact NH2-OD2 2.83Å; R842-D859 PolarHBondContact NH2-OD2 3.08Å; R851-D859 IonicContact CZ-OD1 3.8Å; R851-D859 IonicContact CZ-OD2 2.85Å; R851-D859 VanDerWaalsContact CZ-OD2 3.26Å; R851-D859 IonicContact NH1-OD2 3.54Å; R851-D859 PolarHBondContact NH1-OD2 2.79Å; R851-D859 IonicContact NH2-OD1 2.72Å; R851-D859 PolarHBondContact NH2-OD1 2.98Å; R851-D859 IonicContact NH2-OD2 2.68Å; R851-D859 PolarHBondContact NH2-OD2 3.22Å; E856-D859 PolarHBondContact O-N 3.23Å; E856-D859 VanDerWaalsContact O-N 3.09Å; S857-D859 VanDerWaalsContact C-N 3.32Å; D859-L863 VanDerWaalsContact O-CB 3.22Å; D859-L863 WeakPolarHBondContact O-CB 3.33Å; D859-L863 PolarHBondContact O-N 2.89Å; D859-Y873 PolarHBondContact O-OH 3.35Å
860	L	86.1	Confident	90.3	Very high	129 Å²	129	67 Å²	67	68%	0.675	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-44.9	173.2	-67.1	176.1	0	0	0	112.3	W862 L863 H864	L860-W862 VanDerWaalsContact C-N 3.34Å; L860-W862 PolarHBondContact O-N 2.8Å; L860-L863 PolarHBondContact O-N 3.19Å; L860-H864 PolarHBondContact O-N 2.79Å; L860-H864 VanDerWaalsContact O-N 3.08Å
861	R	89.4	Confident	90.3	Very high	104 Å²	104	66.5 Å²	66.5	39%	0.392	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-44.8	178.7	175.9	173.6	66.2	137.2	-1.8	111.7	Q833 S857 D858 H865	Q833-R861 VanDerWaalsContact OE1-CZ 3.31Å; S857-R861 WeakPolarHBondContact O-CB 3.35Å; S857-R861 PolarHBondContact O-N 3.12Å; D858-R861 PolarHBondContact O-N 3.48Å; D858-R861 IonicContact OD1-CZ 2.84Å; D858-R861 IonicContact OD1-NE 3.42Å; D858-R861 IonicContact OD1-NH2 2.69Å; D858-R861 PolarHBondContact OD1-NH2 3.32Å; R861-H865 WeakPolarHBondContact O-CB 3.46Å; R861-H865 PolarHBondContact O-N 3.45Å; R861-H865 VanDerWaalsContact O-N 3.15Å
862	W	91.9	Very high	90	Very high	21 Å²	21	70.1 Å²	70.1	8%	0.08	37%	0.371	C	S	.	.	H	α-helix	trans	-80.8	-27.1	-178.8	-69.9	122.1	0	0	0	113.4	Y835 W838 D858 L860 H865 A866	Y835-W862 HydrophobicContact CD2-CB 3.83Å; Y835-W862 AromaticContact CD2-CD2 3.96Å; Y835-W862 HydrophobicContact CD2-CD2 3.96Å; Y835-W862 AromaticContact CD2-CE3 3.65Å; Y835-W862 HydrophobicContact CD2-CE3 3.65Å; Y835-W862 HydrophobicContact CD2-CG 4.06Å; Y835-W862 HydrophobicContact CE2-CB 3.91Å; Y835-W862 HydrophobicContact CG-CE3 4.16Å; W838-W862 HydrophobicContact CB-CD2 4.5Å; W838-W862 HydrophobicContact CB-CG 4.27Å; W838-W862 AromaticContact CD1-CD1 3.34Å; W838-W862 AromaticContact CD1-NE1 3.75Å; W838-W862 HydrophobicContact CD2-CB 3.89Å; W838-W862 AromaticContact CD2-CD1 3.48Å; W838-W862 VanDerWaalsContact CD2-CD1 3.48Å; W838-W862 AromaticContact CD2-CG 3.8Å; W838-W862 HydrophobicContact CD2-CG 3.8Å; W838-W862 AromaticContact CE2-CD1 3.81Å; W838-W862 HydrophobicContact CE3-CB 3.84Å; W838-W862 HydrophobicContact CE3-CG 4.05Å; W838-W862 AromaticContact CG-CD1 3.2Å; W838-W862 AromaticContact CG-CG 3.9Å; W838-W862 HydrophobicContact CG-CG 3.9Å; W838-W862 AromaticContact CG-NE1 3.57Å; W838-W862 HydrophobicContact CH2-CB 4.33Å; W838-W862 HydrophobicContact CZ2-CB 4.32Å; W838-W862 HydrophobicContact CZ3-CB 4.07Å; W838-W862 AromaticContact NE1-CD1 3.66Å; D858-W862 WeakPolarHBondContact O-CB 3.34Å; D858-W862 PolarHBondContact O-N 3.45Å; L860-W862 VanDerWaalsContact C-N 3.34Å; L860-W862 PolarHBondContact O-N 2.8Å; W862-H865 HydrophobicContact CE3-CB 3.88Å; W862-H865 AromaticContact CE3-CD2 3.62Å; W862-H865 AromaticContact CE3-CG 3.83Å; W862-H865 HydrophobicContact CZ3-CB 4.34Å; W862-H865 AromaticContact CZ3-CD2 3.65Å; W862-H865 AromaticContact CZ3-CG 3.88Å; W862-H865 PolarHBondContact O-N 3.48Å; W862-A866 VanDerWaalsContact O-CB 3.28Å; W862-A866 WeakPolarHBondContact O-CB 3.37Å; W862-A866 PolarHBondContact O-N 3.28Å
863	L	89.3	Confident	89.6	Confident	30 Å²	30	70.3 Å²	70.3	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-50.5	168.7	177.9	63.5	0	0	0	111.4	D859 L860 H865 A866 Q867 Y873 M878	D859-L863 VanDerWaalsContact O-CB 3.22Å; D859-L863 WeakPolarHBondContact O-CB 3.33Å; D859-L863 PolarHBondContact O-N 2.89Å; L860-L863 PolarHBondContact O-N 3.19Å; L863-H865 PolarHBondContact O-N 3.43Å; L863-A866 PolarHBondContact O-N 3.33Å; L863-Q867 VanDerWaalsContact O-CG 3.32Å; L863-Q867 WeakPolarHBondContact O-CG 3.36Å; L863-Q867 PolarHBondContact O-N 3.09Å; L863-Y873 HydrophobicContact CB-CD2 4.07Å; L863-Y873 HydrophobicContact CB-CE2 3.69Å; L863-Y873 HydrophobicContact CD1-CD1 3.82Å; L863-Y873 HydrophobicContact CD1-CD2 3.86Å; L863-Y873 HydrophobicContact CD1-CE1 4.12Å; L863-Y873 HydrophobicContact CD1-CE2 4.11Å; L863-Y873 HydrophobicContact CD1-CG 3.7Å; L863-M878 HydrophobicContact CD2-CE 3.9Å
864	H	88.4	Confident	89.1	Confident	110 Å²	110	71 Å²	71	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-41.6	177.6	-176.8	-129.7	0	0	0	111.8	L860 A866 Q867 L868	L860-H864 PolarHBondContact O-N 2.79Å; L860-H864 VanDerWaalsContact O-N 3.08Å; H864-A866 PolarHBondContact O-N 3Å; H864-Q867 PolarHBondContact O-N 3.37Å; H864-L868 WeakPolarHBondContact O-CG 3.18Å; H864-L868 PolarHBondContact O-N 2.9Å
865	H	90.1	Very high	88.1	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.329	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-42.4	174	178.5	74	0	0	0	112.8	R861 W862 L863 S869	R861-H865 WeakPolarHBondContact O-CB 3.46Å; R861-H865 PolarHBondContact O-N 3.45Å; R861-H865 VanDerWaalsContact O-N 3.15Å; W862-H865 HydrophobicContact CE3-CB 3.88Å; W862-H865 AromaticContact CE3-CD2 3.62Å; W862-H865 AromaticContact CE3-CG 3.83Å; W862-H865 HydrophobicContact CZ3-CB 4.34Å; W862-H865 AromaticContact CZ3-CD2 3.65Å; W862-H865 AromaticContact CZ3-CG 3.88Å; W862-H865 PolarHBondContact O-N 3.48Å; L863-H865 PolarHBondContact O-N 3.43Å; H865-S869 PolarHBondContact CE1-OG 3.09Å; H865-S869 WeakPolarHBondContact O-CB 3.38Å; H865-S869 PolarHBondContact O-N 2.72Å; H865-S869 PolarHBondContact O-OG 2.97Å
866	A	91.1	Very high	87.4	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.008	41%	0.406	C	S	.	.	H	α-helix	trans	-64.9	-44.6	178.2	0	0	0	0	0	111.6	Y835 W862 L863 H864 S869 G870 L871 Y873	Y835-A866 HydrophobicContact CE1-CB 4.49Å; Y835-A866 HydrophobicContact CE2-CB 4.13Å; W862-A866 VanDerWaalsContact O-CB 3.28Å; W862-A866 WeakPolarHBondContact O-CB 3.37Å; W862-A866 PolarHBondContact O-N 3.28Å; L863-A866 PolarHBondContact O-N 3.33Å; H864-A866 PolarHBondContact O-N 3Å; A866-S869 PolarHBondContact O-N 3.18Å; A866-G870 PolarHBondContact O-N 3.3Å; A866-L871 HydrophobicContact CB-CB 4.23Å; A866-L871 PolarHBondContact O-N 3.2Å; A866-Y873 HydrophobicContact CB-CD2 4.23Å
867	Q	91.2	Very high	86.7	Confident	132 Å²	132	70.2 Å²	70.2	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-58.6	-50.2	175.2	-71.8	170.6	-5.8	0	0	112.2	L863 H864 S869 G870	L863-Q867 VanDerWaalsContact O-CG 3.32Å; L863-Q867 WeakPolarHBondContact O-CG 3.36Å; L863-Q867 PolarHBondContact O-N 3.09Å; H864-Q867 PolarHBondContact O-N 3.37Å; Q867-S869 VanDerWaalsContact C-N 3.28Å; Q867-S869 PolarHBondContact O-N 3.27Å; Q867-G870 PolarHBondContact O-N 3.06Å
868	L	93.2	Very high	85.6	Confident	130 Å²	130	71.7 Å²	71.7	68%	0.681	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-31.4	177.8	-71.4	179.3	0	0	0	113.3	H864	H864-L868 WeakPolarHBondContact O-CG 3.18Å; H864-L868 PolarHBondContact O-N 2.9Å
869	S	91.2	Very high	83.7	Confident	58 Å²	58	77.3 Å²	77.3	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-93.7	-2.5	-175.6	-52.5	0	0	0	0	113.9	H865 A866 Q867 L871	H865-S869 PolarHBondContact CE1-OG 3.09Å; H865-S869 WeakPolarHBondContact O-CB 3.38Å; H865-S869 PolarHBondContact O-N 2.72Å; H865-S869 PolarHBondContact O-OG 2.97Å; A866-S869 PolarHBondContact O-N 3.18Å; Q867-S869 VanDerWaalsContact C-N 3.28Å; Q867-S869 PolarHBondContact O-N 3.27Å; S869-L871 VanDerWaalsContact C-N 3.28Å; S869-L871 PolarHBondContact O-N 3Å
870	G	89.9	Confident	81.7	Confident	72 Å²	72	78.3 Å²	78.3	74%	0.742	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	28.8	-174.9	0	0	0	0	0	114	A866 Q867	A866-G870 PolarHBondContact O-N 3.3Å; Q867-G870 PolarHBondContact O-N 3.06Å
871	L	90.5	Very high	79.5	Confident	82 Å²	82	78.7 Å²	78.7	43%	0.429	44%	0.443	S	S	.	.			trans	-95.2	148.7	-179.6	-59.6	174.2	0	0	0	111	Y835 A866 S869	Y835-L871 HydrophobicContact CD1-CD1 3.7Å; Y835-L871 HydrophobicContact CE1-CB 4.04Å; Y835-L871 HydrophobicContact CE1-CD1 4.01Å; A866-L871 HydrophobicContact CB-CB 4.23Å; A866-L871 PolarHBondContact O-N 3.2Å; S869-L871 VanDerWaalsContact C-N 3.28Å; S869-L871 PolarHBondContact O-N 3Å
872	D	86.9	Confident	77.2	Confident	139 Å²	139	80.1 Å²	80.1	74%	0.743	46%	0.458	S	S	*	.			trans	-68.5	139	173.9	-172.9	25	0	0	0	111.3	Y835	Y835-D872 PolarHBondContact OH-O 3.43Å
873	Y	84.8	Confident	74.4	Confident	31 Å²	31	87 Å²	87	12%	0.122	50%	0.495	C	S	.	.			trans	-120.9	114.6	179	-174.3	-82.3	0	0	0	109.3	Y835 W838 D859 L863 A866 S875 F877 M878	Y835-Y873 HydrophobicContact CE2-CD2 4.48Å; W838-Y873 HydrophobicContact CH2-CD2 4.08Å; W838-Y873 AromaticContact CH2-CE2 3.31Å; W838-Y873 HydrophobicContact CH2-CE2 3.31Å; W838-Y873 AromaticContact CH2-CZ 3.66Å; W838-Y873 HydrophobicContact CZ2-CE2 4.11Å; W838-Y873 HydrophobicContact CZ3-CD2 4.33Å; W838-Y873 AromaticContact CZ3-CE2 3.94Å; W838-Y873 HydrophobicContact CZ3-CE2 3.94Å; D859-Y873 PolarHBondContact O-OH 3.35Å; L863-Y873 HydrophobicContact CB-CD2 4.07Å; L863-Y873 HydrophobicContact CB-CE2 3.69Å; L863-Y873 HydrophobicContact CD1-CD1 3.82Å; L863-Y873 HydrophobicContact CD1-CD2 3.86Å; L863-Y873 HydrophobicContact CD1-CE1 4.12Å; L863-Y873 HydrophobicContact CD1-CE2 4.11Å; L863-Y873 HydrophobicContact CD1-CG 3.7Å; A866-Y873 HydrophobicContact CB-CD2 4.23Å; Y873-S875 PolarHBondContact O-N 2.88Å; Y873-S875 VanDerWaalsContact O-N 3.09Å; Y873-F877 HydrophobicContact CE1-CB 4.29Å; Y873-M878 HydrophobicContact CD1-CG 4.19Å; Y873-M878 HydrophobicContact CD1-SD 4.49Å; Y873-M878 HydrophobicContact CE1-CG 3.69Å; Y873-M878 HydrophobicContact CE1-SD 4.43Å
874	P	84.8	Confident	71.9	Confident	30 Å²	30	93.1 Å²	93.1	20%	0.195	53%	0.529	C	S	.	.			trans	-63	115.6	-172.6	-24.1	34.2	0	0	0	112.7	L839 N876 F877	L839-P874 HydrophobicContact CD2-CG 3.69Å; P874-N876 WeakPolarHBondContact CB-OD1 3.43Å; P874-N876 PolarHBondContact O-N 3.08Å; P874-N876 VanDerWaalsContact O-N 3.12Å; P874-F877 HydrophobicContact CB-CD2 3.73Å; P874-F877 HydrophobicContact CB-CE2 3.81Å; P874-F877 HydrophobicContact CB-CG 4.42Å; P874-F877 HydrophobicContact CG-CD2 3.95Å; P874-F877 HydrophobicContact CG-CE2 3.77Å; P874-F877 WeakPolarHBondContact O-CB 3.44Å; P874-F877 PolarHBondContact O-N 3.47Å
875	S	71.9	Confident	69.5	Low	93 Å²	93	93.4 Å²	93.4	65%	0.65	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.4	-175.9	56.6	0	0	0	0	113.7	Y873 F877 M878	Y873-S875 PolarHBondContact O-N 2.88Å; Y873-S875 VanDerWaalsContact O-N 3.09Å; S875-F877 PolarHBondContact O-N 2.85Å; S875-M878 PolarHBondContact O-N 3.19Å; S875-M878 VanDerWaalsContact O-N 3.07Å
876	N	74	Confident	67	Low	104 Å²	104	96 Å²	96	56%	0.556	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-65.4	-12.6	172.8	64.9	-76.1	0	0	0	114.1	P874	P874-N876 WeakPolarHBondContact CB-OD1 3.43Å; P874-N876 PolarHBondContact O-N 3.08Å; P874-N876 VanDerWaalsContact O-N 3.12Å
877	F	73.7	Confident	64.5	Low	23 Å²	23	101.3 Å²	101.3	10%	0.101	59%	0.588	C	S	.	*	G	3₁₀ helix	trans	-91.5	-6	172	-58.8	-34.5	0	0	0	113.8	W838 L839 R842 Y873 P874 S875	W838-F877 AromaticContact CH2-CD2 3.95Å; W838-F877 HydrophobicContact CH2-CD2 3.95Å; W838-F877 HydrophobicContact CZ2-CD2 4.49Å; L839-F877 HydrophobicContact CD2-CE2 4.07Å; R842-F877 HydrophobicContact CB-CD1 4.26Å; R842-F877 HydrophobicContact CB-CD2 4.21Å; R842-F877 HydrophobicContact CB-CE1 3.71Å; R842-F877 HydrophobicContact CB-CE2 3.65Å; R842-F877 HydrophobicContact CB-CZ 3.39Å; R842-F877 HydrophobicContact CG-CE2 4.39Å; Y873-F877 HydrophobicContact CE1-CB 4.29Å; P874-F877 HydrophobicContact CB-CD2 3.73Å; P874-F877 HydrophobicContact CB-CE2 3.81Å; P874-F877 HydrophobicContact CB-CG 4.42Å; P874-F877 HydrophobicContact CG-CD2 3.95Å; P874-F877 HydrophobicContact CG-CE2 3.77Å; P874-F877 WeakPolarHBondContact O-CB 3.44Å; P874-F877 PolarHBondContact O-N 3.47Å; S875-F877 PolarHBondContact O-N 2.85Å
878	M	62	Low	62.2	Low	96 Å²	96	96.2 Å²	96.2	47%	0.473	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	-23.8	175.3	-59.9	-160	77.6	0	0	113.4	L863 Y873 S875 G880	L863-M878 HydrophobicContact CD2-CE 3.9Å; Y873-M878 HydrophobicContact CD1-CG 4.19Å; Y873-M878 HydrophobicContact CD1-SD 4.49Å; Y873-M878 HydrophobicContact CE1-CG 3.69Å; Y873-M878 HydrophobicContact CE1-SD 4.43Å; S875-M878 PolarHBondContact O-N 3.19Å; S875-M878 VanDerWaalsContact O-N 3.07Å; M878-G880 PolarHBondContact O-N 3.04Å
879	N	48.4	Very low	59.7	Low	147 Å²	147	96.3 Å²	96.3	79%	0.786	57%	0.57	S	S	*	*			trans	-85.9	44.9	-175.7	-67.8	-12.4	0	0	0	113.4
880	G	46.7	Very low	57.3	Low	42 Å²	42	101.3 Å²	101.3	43%	0.433	59%	0.587	S	S	.	*	S	Bend	trans	-69.9	171.2	158.5	0	0	0	0	0	111.1	M878 L882	M878-G880 PolarHBondContact O-N 3.04Å; G880-L882 PolarHBondContact O-N 3.41Å
881	P	40.5	Very low	55	Low	137 Å²	137	106.8 Å²	106.8	89%	0.89	59%	0.585	S	S	*	*	S	Bend	trans	-74.5	72.1	-178.4	31.8	-35.9	0	0	0	112.3	N883	P881-N883 VanDerWaalsContact C-N 3.35Å
882	L	41.7	Very low	52.7	Low	134 Å²	134	110.9 Å²	110.9	70%	0.702	60%	0.596	S	S	*	*			trans	-89.9	8	176.9	-89.1	158	0	0	0	113.7	G880	G880-L882 PolarHBondContact O-N 3.41Å
883	N	33.3	Very low	50.7	Low	164 Å²	164	110.3 Å²	110.3	88%	0.877	59%	0.589	S	S	*	*			trans	-89.4	-12.1	-176.7	-77.7	-4	0	0	0	114.6	P881	P881-N883 VanDerWaalsContact C-N 3.35Å
884	D	36.6	Very low	48.7	Very low	160 Å²	160	115 Å²	115	86%	0.856	61%	0.612	S	S	*	*			trans	-97	84.8	168.2	-79.4	-46.2	0	0	0	109	D886	D884-D886 PolarHBondContact O-N 2.83Å; D884-D886 VanDerWaalsContact O-N 3.16Å
885	V	38	Very low	46.8	Very low	115 Å²	115	119.4 Å²	119.4	70%	0.697	63%	0.63	S	S	*	*			trans	-78.2	94.9	173.3	-179.1	0	0	0	0	108.9
886	D	37	Very low	45.7	Very low	127 Å²	127	120.9 Å²	120.9	68%	0.679	63%	0.626	S	S	*	*			trans	-66	131.7	167.5	-175.1	41.6	0	0	0	109.7	D884 G888	D884-D886 PolarHBondContact O-N 2.83Å; D884-D886 VanDerWaalsContact O-N 3.16Å; D886-G888 PolarHBondContact O-N 2.88Å
887	P	37.7	Very low	44.5	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-64.4	6.4	-175.3	-25.4	36	0	0	0	116.7	M889	P887-M889 PolarHBondContact O-N 3.01Å
888	G	42.8	Very low	43.1	Very low	26 Å²	26	127.9 Å²	127.9	27%	0.268	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-69	-15.1	177.3	0	0	0	0	0	115	D886 E890 R891	D886-G888 PolarHBondContact O-N 2.88Å; G888-E890 VanDerWaalsContact C-N 3.34Å; G888-E890 PolarHBondContact O-N 3.31Å; G888-R891 PolarHBondContact O-N 3.3Å
889	M	41.8	Very low	42.6	Very low	132 Å²	132	129.3 Å²	129.3	65%	0.65	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-67.6	-27.9	-169.7	-156.1	165.8	-169.1	0	0	114.3	P887 R891 Y892	P887-M889 PolarHBondContact O-N 3.01Å; M889-R891 VanDerWaalsContact C-N 3.31Å; M889-R891 PolarHBondContact O-N 2.9Å; M889-Y892 PolarHBondContact O-N 3.21Å
890	E	40.4	Very low	42.7	Very low	162 Å²	162	129 Å²	129	76%	0.757	66%	0.659	S	S	*	*	H	α-helix	trans	-64.6	-34	176.7	-65	-176.4	148.8	0	0	112.3	G888 Y892 H893	G888-E890 VanDerWaalsContact C-N 3.34Å; G888-E890 PolarHBondContact O-N 3.31Å; E890-Y892 VanDerWaalsContact C-N 3.29Å; E890-Y892 PolarHBondContact O-N 3.32Å; E890-H893 PolarHBondContact O-N 2.82Å
891	R	40.8	Very low	43.1	Very low	187 Å²	187	129.9 Å²	129.9	71%	0.706	66%	0.656	S	S	*	*	H	α-helix	trans	-70.2	-20.9	178.8	-78.8	-173.6	170.9	-176	-1.7	114.6	G888 M889 Q895	G888-R891 PolarHBondContact O-N 3.3Å; M889-R891 VanDerWaalsContact C-N 3.31Å; M889-R891 PolarHBondContact O-N 2.9Å; R891-Q895 PolarHBondContact O-N 3.08Å
892	Y	43.1	Very low	43.4	Very low	169 Å²	169	128 Å²	128	66%	0.663	64%	0.638	S	S	*	*	H	α-helix	trans	-76.3	-35.2	179.3	-80.1	-78.8	0	0	0	111.7	M889 E890 Q895 E896	M889-Y892 PolarHBondContact O-N 3.21Å; E890-Y892 VanDerWaalsContact C-N 3.29Å; E890-Y892 PolarHBondContact O-N 3.32Å; Y892-Q895 PolarHBondContact O-N 2.99Å; Y892-E896 PolarHBondContact O-N 3.4Å; Y892-E896 VanDerWaalsContact O-N 3.09Å
893	H	45.5	Very low	43.7	Very low	126 Å²	126	125.1 Å²	125.1	58%	0.583	63%	0.629	S	S	*	*	H	α-helix	trans	-67.7	-40.4	173.5	-78.1	-56	0	0	0	112.5	E890 Q895 E896 E897	E890-H893 PolarHBondContact O-N 2.82Å; H893-Q895 VanDerWaalsContact C-N 3.28Å; H893-Q895 PolarHBondContact O-N 3.24Å; H893-E896 PolarHBondContact O-N 3.11Å; H893-E897 PolarHBondContact O-N 2.99Å; H893-E897 VanDerWaalsContact O-N 3.14Å
894	E	42.8	Very low	44.7	Very low	131 Å²	131	123.8 Å²	123.8	61%	0.612	62%	0.617	S	S	*	*	H	α-helix	trans	-59.2	-37.9	174.2	-65.8	-176.6	138	0	0	112.3	E898	E894-E898 PolarHBondContact O-N 3.11Å
895	Q	44.8	Very low	45.3	Very low	121 Å²	121	124.2 Å²	124.2	57%	0.565	61%	0.607	S	S	*	*	H	α-helix	trans	-76.6	-24.1	177.3	-73.4	-163.4	-33.6	0	0	114.2	R891 Y892 H893 L899	R891-Q895 PolarHBondContact O-N 3.08Å; Y892-Q895 PolarHBondContact O-N 2.99Å; H893-Q895 VanDerWaalsContact C-N 3.28Å; H893-Q895 PolarHBondContact O-N 3.24Å; Q895-L899 PolarHBondContact O-N 3.3Å; Q895-L899 VanDerWaalsContact O-N 3.14Å
896	E	48.4	Very low	45.9	Very low	124 Å²	124	123.8 Å²	123.8	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-76.5	-41.1	177.5	-155.6	156.7	-134.6	0	0	110.6	Y892 H893 L899 E900	Y892-E896 PolarHBondContact O-N 3.4Å; Y892-E896 VanDerWaalsContact O-N 3.09Å; H893-E896 PolarHBondContact O-N 3.11Å; E896-L899 PolarHBondContact O-N 3.4Å; E896-L899 VanDerWaalsContact O-N 3.14Å; E896-E900 PolarHBondContact O-N 2.78Å
897	E	48.7	Very low	46.4	Very low	145 Å²	145	122.3 Å²	122.3	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-63.6	-38.8	170.2	-72.8	-167.2	144	0	0	112.9	H893 L899 T901	H893-E897 PolarHBondContact O-N 2.99Å; H893-E897 VanDerWaalsContact O-N 3.14Å; E897-L899 VanDerWaalsContact C-N 3.29Å; E897-L899 PolarHBondContact O-N 2.94Å; E897-T901 WeakPolarHBondContact O-CB 3.28Å; E897-T901 WeakPolarHBondContact O-CG2 3.44Å; E897-T901 PolarHBondContact O-N 2.81Å; E897-T901 PolarHBondContact O-OG1 2.91Å
898	E	45.1	Very low	46.7	Very low	129 Å²	129	125.4 Å²	125.4	60%	0.603	61%	0.609	S	S	*	*	H	α-helix	trans	-62.3	-35.8	171.6	-85.9	-157.4	134.7	0	0	112	E894 T901 L902	E894-E898 PolarHBondContact O-N 3.11Å; E898-T901 PolarHBondContact O-OG1 2.77Å; E898-L902 WeakPolarHBondContact O-CB 3.49Å; E898-L902 WeakPolarHBondContact O-CD1 3.1Å; E898-L902 WeakPolarHBondContact O-CG 3.45Å; E898-L902 PolarHBondContact O-N 2.84Å; E898-L902 VanDerWaalsContact O-N 3.1Å
899	L	49.6	Very low	46.4	Very low	127 Å²	127	134.3 Å²	134.3	67%	0.665	65%	0.649	S	S	*	*	H	α-helix	trans	-74.1	-41.3	179.7	-127.1	74.7	0	0	0	112.9	Q895 E896 E897 L902 S903	Q895-L899 PolarHBondContact O-N 3.3Å; Q895-L899 VanDerWaalsContact O-N 3.14Å; E896-L899 PolarHBondContact O-N 3.4Å; E896-L899 VanDerWaalsContact O-N 3.14Å; E897-L899 VanDerWaalsContact C-N 3.29Å; E897-L899 PolarHBondContact O-N 2.94Å; L899-L902 PolarHBondContact O-N 3.28Å; L899-S903 WeakPolarHBondContact O-CB 3.4Å; L899-S903 PolarHBondContact O-N 3.34Å
900	E	52.5	Low	46.6	Very low	139 Å²	139	134.4 Å²	134.4	65%	0.65	65%	0.649	S	S	*	*	H	α-helix	trans	-66.1	-45.8	175.9	-69.6	-160.9	131.4	0	0	111.3	E896 L902 S903 E904	E896-E900 PolarHBondContact O-N 2.78Å; E900-L902 VanDerWaalsContact C-N 3.26Å; E900-L902 PolarHBondContact O-N 3.39Å; E900-S903 WeakPolarHBondContact O-CA 3.35Å; E900-S903 WeakPolarHBondContact O-CB 3.08Å; E900-S903 PolarHBondContact O-N 3.28Å; E900-E904 PolarHBondContact O-N 2.79Å
901	T	54.1	Low	47	Very low	62 Å²	62	132.9 Å²	132.9	38%	0.38	64%	0.644	S	S	.	*	H	α-helix	trans	-67.5	-23	177.6	57.3	0	0	0	0	113.7	E897 E898 R905	E897-T901 WeakPolarHBondContact O-CB 3.28Å; E897-T901 WeakPolarHBondContact O-CG2 3.44Å; E897-T901 PolarHBondContact O-N 2.81Å; E897-T901 PolarHBondContact O-OG1 2.91Å; E898-T901 PolarHBondContact O-OG1 2.77Å; T901-R905 WeakPolarHBondContact O-CD 3.39Å; T901-R905 VanDerWaalsContact O-CG 3.27Å; T901-R905 WeakPolarHBondContact O-CG 3.31Å; T901-R905 PolarHBondContact O-N 2.82Å
902	L	46.1	Very low	47.3	Very low	96 Å²	96	129.9 Å²	129.9	50%	0.503	64%	0.64	S	S	.	*	H	α-helix	trans	-75.5	-37.4	166.5	-77.3	169.7	0	0	0	112.4	E898 L899 E900 R905 V906	E898-L902 WeakPolarHBondContact O-CB 3.49Å; E898-L902 WeakPolarHBondContact O-CD1 3.1Å; E898-L902 WeakPolarHBondContact O-CG 3.45Å; E898-L902 PolarHBondContact O-N 2.84Å; E898-L902 VanDerWaalsContact O-N 3.1Å; L899-L902 PolarHBondContact O-N 3.28Å; E900-L902 VanDerWaalsContact C-N 3.26Å; E900-L902 PolarHBondContact O-N 3.39Å; L902-R905 PolarHBondContact O-N 2.84Å; L902-V906 WeakPolarHBondContact O-CG2 3.41Å; L902-V906 PolarHBondContact O-N 2.87Å; L902-V906 VanDerWaalsContact O-N 3.08Å
903	S	49.5	Very low	47.6	Very low	74 Å²	74	127.6 Å²	127.6	52%	0.517	64%	0.639	S	S	.	*	H	α-helix	trans	-64.9	-42.4	177.3	-169.3	0	0	0	0	112.4	L899 E900 V906 S907	L899-S903 WeakPolarHBondContact O-CB 3.4Å; L899-S903 PolarHBondContact O-N 3.34Å; E900-S903 WeakPolarHBondContact O-CA 3.35Å; E900-S903 WeakPolarHBondContact O-CB 3.08Å; E900-S903 PolarHBondContact O-N 3.28Å; S903-V906 PolarHBondContact O-N 2.91Å; S903-S907 PolarHBondContact O-N 3.43Å; S903-S907 PolarHBondContact O-OG 3.2Å
904	E	52.4	Low	47.7	Very low	136 Å²	136	127.8 Å²	127.8	64%	0.636	64%	0.642	S	S	*	*	H	α-helix	trans	-62.5	-46.1	174	-68.2	-169.3	138.7	0	0	111.4	E900 V906 S907 E908	E900-E904 PolarHBondContact O-N 2.79Å; E904-V906 VanDerWaalsContact C-N 3.25Å; E904-V906 PolarHBondContact O-N 3.15Å; E904-S907 WeakPolarHBondContact O-CA 3.34Å; E904-S907 WeakPolarHBondContact O-CB 3.12Å; E904-S907 PolarHBondContact O-N 3.44Å; E904-E908 PolarHBondContact O-N 2.8Å
905	R	49.3	Very low	48	Very low	169 Å²	169	127.5 Å²	127.5	64%	0.638	64%	0.644	S	S	*	*	H	α-helix	trans	-65.2	-23.8	178.3	-74.8	175	178.4	165.1	4.3	114.6	T901 L902 S907	T901-R905 WeakPolarHBondContact O-CD 3.39Å; T901-R905 VanDerWaalsContact O-CG 3.27Å; T901-R905 WeakPolarHBondContact O-CG 3.31Å; T901-R905 PolarHBondContact O-N 2.82Å; L902-R905 PolarHBondContact O-N 2.84Å; R905-S907 VanDerWaalsContact C-N 3.33Å
906	V	51.8	Low	48.2	Very low	107 Å²	107	128 Å²	128	65%	0.648	65%	0.65	S	S	*	*	H	α-helix	trans	-83.8	-12.2	172.4	171.3	0	0	0	0	111.8	L902 S903 E904	L902-V906 WeakPolarHBondContact O-CG2 3.41Å; L902-V906 PolarHBondContact O-N 2.87Å; L902-V906 VanDerWaalsContact O-N 3.08Å; S903-V906 PolarHBondContact O-N 2.91Å; E904-V906 VanDerWaalsContact C-N 3.25Å; E904-V906 PolarHBondContact O-N 3.15Å
907	S	47.7	Very low	48.2	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	66%	0.655	S	S	*	*	H	α-helix	trans	-92.6	-11.6	177.2	-56.5	0	0	0	0	113.9	S903 E904 R905	S903-S907 PolarHBondContact O-N 3.43Å; S903-S907 PolarHBondContact O-OG 3.2Å; E904-S907 WeakPolarHBondContact O-CA 3.34Å; E904-S907 WeakPolarHBondContact O-CB 3.12Å; E904-S907 PolarHBondContact O-N 3.44Å; R905-S907 VanDerWaalsContact C-N 3.33Å
908	E	43.1	Very low	48.2	Very low	177 Å²	177	126.9 Å²	126.9	83%	0.827	65%	0.653	S	S	*	*			trans	-103.9	14.1	176	-62.8	-162.6	132.6	0	0	114	E904	E904-E908 PolarHBondContact O-N 2.8Å
909	L	37.2	Very low	48.5	Very low	212 Å²	212	126.7 Å²	126.7	100%	1.11	66%	0.658	S	S	*	*			trans	-123.5	0	-179.1	-74.9	174	0	0	0	113.3

Retrieved 909 of 909 residues in 569 ms (Link to these results)

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