A0A3Q0KVG9_SCHMA Loading...

Protein phosphatase methylesterase 1

Demethylates proteins that have been reversibly carboxymethylated.

AlphaFold DB , UniProt , Accession A0A3Q0KVG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	36.6	Very low	242 Å²	242	134.2 Å²	134.2	100%	1.192	82%	0.815	S	S	*	*				0	122.9	0	-83.4	175.2	163.4	0	0	108.1
2	S	40.3	Very low	36.2	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	81%	0.808	S	S	*	*			trans	38.2	104.5	166.5	54.8	0	0	0	0	119.4
3	S	35.1	Very low	36	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	82%	0.815	S	S	*	*				64.9	129.7	84.7	73	0	0	0	0	112.7
4	V	39.6	Very low	35.5	Very low	134 Å²	134	134.1 Å²	134.1	81%	0.812	82%	0.817	S	S	*	*				-158	139	56.5	170.1	0	0	0	0	110.8
5	S	32.1	Very low	35.2	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	82%	0.82	S	S	*	*			trans	-86.1	145.2	167.8	45	0	0	0	0	112.5
6	S	38.9	Very low	34.8	Very low	124 Å²	124	141.1 Å²	141.1	87%	0.867	82%	0.822	S	S	*	*			trans	-141.3	106.6	151.2	60.5	0	0	0	0	110.3
7	V	34.8	Very low	34.5	Very low	121 Å²	121	144.1 Å²	144.1	73%	0.733	83%	0.826	S	S	*	*			trans	-75	150.2	168.3	171.3	0	0	0	0	109.3
8	L	37.5	Very low	34.3	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	82%	0.824	S	S	*	*			trans	169.8	155.6	135.6	-90.2	178.3	0	0	0	111.6
9	P	34.2	Very low	34.1	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	83%	0.826	S	S	*	*				-126.7	-175.6	-104.8	42.1	-27.2	0	0	0	115.6
10	S	31.9	Very low	33.9	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	83%	0.825	S	S	*	*			trans	-46.7	134.4	176.1	52.6	0	0	0	0	117.8
11	D	38.7	Very low	33.6	Very low	171 Å²	171	145.8 Å²	145.8	91%	0.914	83%	0.827	S	S	*	*			trans	-162.7	120.4	142.1	-85.6	-36.7	0	0	0	104.9
12	G	32	Very low	33.7	Very low	71 Å²	71	144.9 Å²	144.9	73%	0.732	81%	0.811	S	S	*	*				108.8	115.5	63.9	0	0	0	0	0	108.5
13	K	33.5	Very low	33.9	Very low	207 Å²	207	147.4 Å²	147.4	90%	0.9	82%	0.816	S	S	*	*			trans	104.9	110.7	163.9	-60.6	175.3	176.5	176.3	0	118.7
14	C	28.8	Very low	34.9	Very low	124 Å²	124	146.4 Å²	146.4	84%	0.838	82%	0.822	S	S	*	*			trans	27.1	107.6	146.6	-71.5	0	0	0	0	119.3
15	K	30	Very low	36.4	Very low	197 Å²	197	145 Å²	145	86%	0.857	81%	0.807	S	S	*	*			trans	-102.3	76	153.1	-75.4	-175.8	175.1	-179.5	0	109.5
16	E	30.1	Very low	39.2	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	79%	0.788	S	S	*	*			trans	-135.1	69.8	162.2	-84	-172.2	159	0	0	107.6
17	Q	29.7	Very low	41.9	Very low	192 Å²	192	137.6 Å²	137.6	90%	0.897	75%	0.752	S	S	*	*			trans	-167	74.7	170.6	-108.6	167.8	12.3	0	0	107.6
18	L	29.8	Very low	44.8	Very low	149 Å²	149	135.5 Å²	135.5	78%	0.78	74%	0.736	S	S	*	*			trans	-137.2	95.2	172.7	-87.8	159.9	0	0	0	106.9
19	N	30.6	Very low	47.7	Very low	161 Å²	161	128.9 Å²	128.9	86%	0.861	70%	0.702	S	S	*	*			trans	159.2	41.3	148.5	-80.9	-16.4	0	0	0	114.6
20	S	30.1	Very low	50.6	Low	118 Å²	118	124.1 Å²	124.1	83%	0.825	67%	0.671	S	S	*	*	S	Bend	trans	-110.2	11.3	170.4	61.5	0	0	0	0	115
21	E	28.6	Very low	53.7	Low	185 Å²	185	123 Å²	123	86%	0.864	65%	0.653	S	S	*	*			trans	-135	70.6	-178.5	-66.4	-178.5	171.8	0	0	111.2
22	R	40.5	Very low	56.5	Low	223 Å²	223	116.8 Å²	116.8	84%	0.842	62%	0.618	S	S	*	*	S	Bend	trans	-91.3	125.5	150.6	-75.7	-172	-175.8	-165.1	2.1	106.2	G24	R22-G24 PolarHBondContact O-N 3.5Å
23	N	45.3	Very low	59.6	Low	156 Å²	156	116.6 Å²	116.6	83%	0.834	61%	0.605	S	S	*	*			trans	-29.3	127.9	174.8	-85.9	-19.9	0	0	0	111.8	E25	N23-E25 PolarHBondContact O-N 3.35Å
24	G	55.4	Low	62.6	Low	86 Å²	86	112.7 Å²	112.7	89%	0.887	59%	0.59	S	S	*	*			trans	-55.1	85.7	-166.8	0	0	0	0	0	115	R22 S26	R22-G24 PolarHBondContact O-N 3.5Å; G24-S26 PolarHBondContact O-N 3.05Å
25	E	71.4	Confident	66	Low	104 Å²	104	108.3 Å²	108.3	49%	0.486	56%	0.556	S	S	.	*			trans	-65.3	121.5	172	-71.3	176.9	154.5	0	0	108.6	N23 V206	N23-E25 PolarHBondContact O-N 3.35Å; E25-V206 WeakPolarHBondContact OE2-CG2 3.35Å
26	S	91.5	Very high	69.2	Low	47 Å²	47	99 Å²	99	33%	0.329	52%	0.515	S	S	.	.			trans	-70.8	134.4	173.1	169.3	0	0	0	0	109.5	G24 D28 R210	G24-S26 PolarHBondContact O-N 3.05Å; S26-D28 VanDerWaalsContact C-N 3.33Å; S26-D28 VanDerWaalsContact OG-CB 3.25Å; S26-D28 WeakPolarHBondContact OG-CB 3.48Å; S26-D28 PolarHBondContact OG-N 3.25Å; S26-D28 PolarHBondContact OG-OD2 3.32Å; S26-R210 VanDerWaalsContact O-CD 3.32Å; S26-R210 WeakPolarHBondContact O-CD 3.39Å
27	Y	95.8	Very high	72.4	Confident	27 Å²	27	95.5 Å²	95.5	11%	0.106	50%	0.503	C	S	.	.			trans	-98.1	16	169.8	-59.6	-64.8	0	0	0	111.6	P191 I194 E195 V198 V206	Y27-P191 WeakPolarHBondContact CB-O 3.46Å; Y27-P191 WeakPolarHBondContact O-CA 3.33Å; Y27-I194 HydrophobicContact CD1-CG2 4.02Å; Y27-I194 HydrophobicContact CG-CG2 4.45Å; Y27-I194 VanDerWaalsContact O-CD1 3.23Å; Y27-I194 WeakPolarHBondContact O-CD1 3.4Å; Y27-E195 HydrophobicContact CD1-CB 4.26Å; Y27-E195 HydrophobicContact CD2-CB 3.52Å; Y27-E195 HydrophobicContact CD2-CG 3.64Å; Y27-E195 HydrophobicContact CE2-CB 3.86Å; Y27-E195 HydrophobicContact CE2-CG 3.49Å; Y27-E195 VanDerWaalsContact CE2-CG 3.49Å; Y27-E195 HydrophobicContact CG-CB 3.74Å; Y27-E195 HydrophobicContact CG-CG 4.32Å; Y27-V198 HydrophobicContact CD1-CG2 4.5Å; Y27-V198 HydrophobicContact CE1-CB 4.17Å; Y27-V198 HydrophobicContact CE1-CG1 4.3Å; Y27-V198 HydrophobicContact CE1-CG2 4.17Å; Y27-V206 HydrophobicContact CD1-CG1 4.28Å; Y27-V206 HydrophobicContact CE1-CG1 4.32Å; Y27-V206 HydrophobicContact CE1-CG2 4.4Å
28	D	96.1	Very high	75.7	Confident	77 Å²	77	90.1 Å²	90.1	41%	0.412	48%	0.479	S	S	.	.			trans	-66.2	132.5	178.3	-60.4	-37.6	0	0	0	109.8	S26 R210	S26-D28 VanDerWaalsContact C-N 3.33Å; S26-D28 VanDerWaalsContact OG-CB 3.25Å; S26-D28 WeakPolarHBondContact OG-CB 3.48Å; S26-D28 PolarHBondContact OG-N 3.25Å; S26-D28 PolarHBondContact OG-OD2 3.32Å; D28-R210 PolarHBondContact O-NE 3.41Å; D28-R210 PolarHBondContact O-NH2 3.34Å
29	P	97.1	Very high	78.9	Confident	19 Å²	19	86.3 Å²	86.3	12%	0.123	45%	0.454	C	S	.	.			trans	-62.5	148.7	-177.9	27.1	-35.7	0	0	0	111.4	L190 I194 R210 P214 L230 L237	P29-L190 HydrophobicContact CB-CD1 4.45Å; P29-L190 HydrophobicContact CG-CB 4.14Å; P29-L190 HydrophobicContact CG-CD1 4.17Å; P29-I194 HydrophobicContact CB-CD1 3.81Å; P29-R210 WeakPolarHBondContact CA-O 3.31Å; P29-P214 HydrophobicContact CB-CG 3.94Å; P29-L230 HydrophobicContact CB-CD1 4.01Å; P29-L230 HydrophobicContact CB-CD2 3.96Å; P29-L230 HydrophobicContact CG-CD1 3.66Å; P29-L237 HydrophobicContact CG-CD2 3.52Å
30	V	96.3	Very high	82.1	Confident	7 Å²	7	82.4 Å²	82.4	4%	0.042	43%	0.434	C	S	.	.			trans	-113.7	140.7	177.2	168.8	0	0	0	0	109.2	E34 Y35 R210 V211	V30-E34 HydrophobicContact CG1-CB 4Å; V30-E34 HydrophobicContact CG1-CG 3.86Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.27Å; V30-E34 VanDerWaalsContact CG1-OE2 3.24Å; V30-E34 WeakPolarHBondContact CG1-OE2 3.35Å; V30-Y35 HydrophobicContact CG1-CE2 3.79Å; V30-R210 HydrophobicContact CB-CB 4.41Å; V30-R210 HydrophobicContact CG2-CB 4.12Å; V30-R210 VanDerWaalsContact CG2-NH2 3.3Å; V30-R210 PolarHBondContact N-O 2.91Å; V30-V211 HydrophobicContact CB-CB 4.44Å
31	K	96.4	Very high	85.3	Confident	79 Å²	79	79.8 Å²	79.8	34%	0.343	41%	0.41	S	S	.	.			trans	-73.6	147.7	178.5	-68.8	-170	176	-166.9	0	111	S33 E34 L230 D231	K31-S33 PolarHBondContact O-N 3.04Å; K31-S33 VanDerWaalsContact O-N 3.08Å; K31-E34 PolarHBondContact O-N 3.37Å; K31-L230 WeakPolarHBondContact CE-O 3.38Å; K31-L230 HydrophobicContact CG-CD2 4.14Å; K31-L230 HydrophobicContact CG-CG 4.09Å; K31-L230 PolarHBondContact NZ-O 3.37Å; K31-D231 PolarHBondContact NZ-O 3.44Å
32	W	97.8	Very high	88.7	Confident	42 Å²	42	72 Å²	72	16%	0.159	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-54.6	-29.4	175.4	64	-95.3	0	0	0	113	E34 Y35 F36 R39 Y52 L72 D231	W32-E34 PolarHBondContact O-N 2.92Å; W32-Y35 PolarHBondContact O-N 3.19Å; W32-F36 HydrophobicContact CE3-CB 4.01Å; W32-F36 HydrophobicContact CZ3-CB 4.41Å; W32-F36 PolarHBondContact O-N 3.1Å; W32-R39 HydrophobicContact CD2-CB 4.11Å; W32-R39 HydrophobicContact CE3-CB 4.08Å; W32-R39 HydrophobicContact CH2-CB 3.36Å; W32-R39 HydrophobicContact CZ2-CB 3.37Å; W32-R39 HydrophobicContact CZ2-CG 4.18Å; W32-R39 HydrophobicContact CZ3-CB 3.74Å; W32-Y52 HydrophobicContact CB-CD1 4.03Å; W32-Y52 HydrophobicContact CB-CE1 3.68Å; W32-Y52 AromaticContact CD1-CE1 3.94Å; W32-Y52 AromaticContact CD2-CD1 3.94Å; W32-Y52 HydrophobicContact CD2-CD1 3.94Å; W32-Y52 AromaticContact CD2-CE1 3.69Å; W32-Y52 HydrophobicContact CD2-CE1 3.69Å; W32-Y52 AromaticContact CE3-CD1 3.9Å; W32-Y52 HydrophobicContact CE3-CD1 3.9Å; W32-Y52 HydrophobicContact CE3-CE1 4.14Å; W32-Y52 HydrophobicContact CG-CD1 4.02Å; W32-Y52 AromaticContact CG-CE1 3.47Å; W32-Y52 HydrophobicContact CG-CE1 3.47Å; W32-Y52 VanDerWaalsContact CG-CE1 3.47Å; W32-L72 HydrophobicContact CB-CD2 3.56Å; W32-D231 PolarHBondContact NE1-OD1 3.15Å; W32-D231 PolarHBondContact NE1-OD2 2.96Å
33	S	97.3	Very high	91.4	Very high	67 Å²	67	67.6 Å²	67.6	47%	0.469	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-66.9	-12.9	-176.1	57.5	0	0	0	0	114	K31 Y35	K31-S33 PolarHBondContact O-N 3.04Å; K31-S33 VanDerWaalsContact O-N 3.08Å; S33-Y35 VanDerWaalsContact C-N 3.28Å
34	E	97	Very high	93.9	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-73.1	-24	170	-67.4	-170.1	-155.5	0	0	112.2	V30 K31 W32	V30-E34 HydrophobicContact CG1-CB 4Å; V30-E34 HydrophobicContact CG1-CG 3.86Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.27Å; V30-E34 VanDerWaalsContact CG1-OE2 3.24Å; V30-E34 WeakPolarHBondContact CG1-OE2 3.35Å; K31-E34 PolarHBondContact O-N 3.37Å; W32-E34 PolarHBondContact O-N 2.92Å
35	Y	98.4	Very high	95.6	Very high	32 Å²	32	66.5 Å²	66.5	13%	0.125	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-35.3	-173.3	-62.1	-83.1	0	0	0	113.1	V30 W32 S33 R54 A75 V76 V211	V30-Y35 HydrophobicContact CG1-CE2 3.79Å; W32-Y35 PolarHBondContact O-N 3.19Å; S33-Y35 VanDerWaalsContact C-N 3.28Å; Y35-R54 VanDerWaalsContact O-CD 3.24Å; Y35-R54 WeakPolarHBondContact O-CD 3.35Å; Y35-R54 PolarHBondContact O-NH1 3.17Å; Y35-A75 HydrophobicContact CD1-CB 4.44Å; Y35-A75 HydrophobicContact CD2-CB 4.04Å; Y35-A75 HydrophobicContact CG-CB 3.82Å; Y35-V76 HydrophobicContact CD1-CG2 4.4Å; Y35-V76 HydrophobicContact CE1-CB 4.35Å; Y35-V76 HydrophobicContact CE1-CG2 3.8Å; Y35-V211 HydrophobicContact CD2-CB 4.09Å; Y35-V211 HydrophobicContact CD2-CG1 4.19Å; Y35-V211 HydrophobicContact CD2-CG2 3.7Å; Y35-V211 HydrophobicContact CE2-CB 3.77Å; Y35-V211 HydrophobicContact CE2-CG1 3.86Å; Y35-V211 HydrophobicContact CE2-CG2 3.91Å
36	F	98.4	Very high	96.5	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.317	C	S	.	.			trans	-110.7	148.2	177.4	-60.7	-80.5	0	0	0	111.4	W32 Y52 R54 L72 W74 A75 S78 A91	W32-F36 HydrophobicContact CE3-CB 4.01Å; W32-F36 HydrophobicContact CZ3-CB 4.41Å; W32-F36 PolarHBondContact O-N 3.1Å; F36-Y52 HydrophobicContact CB-CD1 4.5Å; F36-Y52 HydrophobicContact CD2-CD1 4.12Å; F36-Y52 HydrophobicContact CD2-CG 4.1Å; F36-Y52 HydrophobicContact CE2-CG 4.33Å; F36-Y52 HydrophobicContact CG-CD1 4.47Å; F36-Y52 HydrophobicContact CG-CG 4.41Å; F36-R54 HydrophobicContact CD1-CB 4.11Å; F36-L72 HydrophobicContact CD2-CD2 4.49Å; F36-L72 HydrophobicContact CE2-CD2 4.21Å; F36-W74 HydrophobicContact CZ-CB 4.47Å; F36-A75 HydrophobicContact CD2-CB 4.43Å; F36-A75 HydrophobicContact CE2-CB 3.73Å; F36-A75 HydrophobicContact CZ-CB 4.38Å; F36-S78 WeakPolarHBondContact CE1-OG 3.15Å; F36-A91 HydrophobicContact CE1-CB 4.31Å; F36-A91 HydrophobicContact CZ-CB 4.05Å
37	N	97.5	Very high	96.7	Very high	109 Å²	109	60.7 Å²	60.7	58%	0.583	31%	0.306	S	S	*	.	S	Bend	trans	-88.4	-28.6	179.9	-54.5	117.6	0	0	0	112.3	R53 R54	N37-R53 PolarHBondContact N-O 3.05Å; N37-R54 VanDerWaalsContact OD1-CG 3.32Å; N37-R54 WeakPolarHBondContact OD1-CG 3.38Å
38	I	97.8	Very high	96.9	Very high	78 Å²	78	61.2 Å²	61.2	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	-175.7	-58.8	170.5	0	0	0	108.8	D40 Y52 R53	I38-D40 HydrophobicContact CG2-CB 4.17Å; I38-Y52 CarbonylContact O-C 3.43Å; I38-Y52 WeakPolarHBondContact O-CA 3.44Å; I38-R53 HydrophobicContact CB-CB 4.19Å; I38-R53 PolarHBondContact N-O 3.49Å; I38-R53 PolarHBondContact O-N 3.31Å
39	R	97.7	Very high	97	Very high	70 Å²	70	57.6 Å²	57.6	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.1	164.4	173.6	-170.2	159.5	-178.1	-1	106.1	W32 R50 I51 Y52 N228 D231	W32-R39 HydrophobicContact CD2-CB 4.11Å; W32-R39 HydrophobicContact CE3-CB 4.08Å; W32-R39 HydrophobicContact CH2-CB 3.36Å; W32-R39 HydrophobicContact CZ2-CB 3.37Å; W32-R39 HydrophobicContact CZ2-CG 4.18Å; W32-R39 HydrophobicContact CZ3-CB 3.74Å; R39-R50 VanDerWaalsContact CZ-CZ 3.5Å; R39-I51 WeakPolarHBondContact CA-O 3.01Å; R39-Y52 HydrophobicContact CB-CD1 4.07Å; R39-Y52 HydrophobicContact CB-CE1 4Å; R39-Y52 HydrophobicContact CG-CD1 4.21Å; R39-Y52 HydrophobicContact CG-CE1 3.73Å; R39-N228 PolarHBondContact NH2-OD1 3.37Å; R39-D231 IonicContact CZ-OD2 3.34Å; R39-D231 IonicContact NH1-OD2 3.17Å; R39-D231 PolarHBondContact NH1-OD2 3.32Å
40	D	97.5	Very high	97.1	Very high	79 Å²	79	57.1 Å²	57.1	42%	0.422	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165	-176.4	-156.5	1.9	0	0	0	110.7	I38 R50 I51	I38-D40 HydrophobicContact CG2-CB 4.17Å; D40-R50 WeakPolarHBondContact O-CD 3.36Å; D40-I51 HydrophobicContact CB-CD1 4.19Å; D40-I51 HydrophobicContact CB-CG1 3.88Å; D40-I51 PolarHBondContact N-O 2.97Å; D40-I51 WeakPolarHBondContact O-CG1 3.35Å; D40-I51 PolarHBondContact O-N 2.94Å
41	D	98.2	Very high	97.2	Very high	63 Å²	63	56.8 Å²	56.8	34%	0.337	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.9	-179.3	-79.6	-33.7	0	0	0	109.5	T48 R50	D41-T48 HydrophobicContact CB-CG2 3.59Å; D41-R50 WeakPolarHBondContact OD1-CA 3.24Å; D41-R50 IonicContact OD1-CZ 2.95Å; D41-R50 VanDerWaalsContact OD1-CZ 3.28Å; D41-R50 IonicContact OD1-NE 3.34Å; D41-R50 PolarHBondContact OD1-NE 3Å; D41-R50 IonicContact OD1-NH2 3.82Å; D41-R50 PolarHBondContact OD1-NH2 3.29Å; D41-R50 IonicContact OD2-CZ 2.63Å; D41-R50 IonicContact OD2-NE 2.72Å; D41-R50 IonicContact OD2-NH2 2.71Å; D41-R50 PolarHBondContact OD2-NH2 2.93Å
42	I	98.2	Very high	97.3	Very high	22 Å²	22	53 Å²	53	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.3	177.7	-56.3	-60.4	0	0	0	108.8	L44 F49 I51 A123 M124	I42-L44 HydrophobicContact CG2-CD2 4.17Å; I42-L44 HydrophobicContact CG2-CG 4.2Å; I42-F49 HydrophobicContact CB-CB 4.49Å; I42-F49 PolarHBondContact N-O 3.32Å; I42-F49 PolarHBondContact O-N 2.9Å; I42-I51 HydrophobicContact CD1-CD1 3.89Å; I42-I51 HydrophobicContact CG1-CD1 3.9Å; I42-I51 HydrophobicContact CG1-CG1 4.27Å; I42-I51 HydrophobicContact CG1-CG2 4.04Å; I42-A123 HydrophobicContact CG2-CB 3.84Å; I42-M124 HydrophobicContact CD1-CG 3.83Å; I42-M124 HydrophobicContact CD1-SD 4.4Å; I42-M124 HydrophobicContact CG1-CG 4.26Å
43	E	97.8	Very high	97.3	Very high	130 Å²	130	54.3 Å²	54.3	61%	0.607	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.3	177.6	-61.1	-62.6	170	0	0	111.1	T48	E43-T48 VanDerWaalsContact CD-OG1 3.31Å; E43-T48 WeakPolarHBondContact OE1-CG2 3.4Å; E43-T48 PolarHBondContact OE1-OG1 2.82Å; E43-T48 WeakPolarHBondContact OE2-CB 3.48Å; E43-T48 PolarHBondContact OE2-OG1 2.81Å
44	L	97.2	Very high	97.4	Very high	34 Å²	34	53.2 Å²	53.2	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.5	173.7	-60	179.3	0	0	0	109.4	I42 G46 G47 F49 K119 I120 A123	I42-L44 HydrophobicContact CG2-CD2 4.17Å; I42-L44 HydrophobicContact CG2-CG 4.2Å; L44-G46 PolarHBondContact O-N 3.4Å; L44-G47 PolarHBondContact N-O 3.39Å; L44-G47 PolarHBondContact O-N 2.93Å; L44-F49 HydrophobicContact CB-CD2 4.42Å; L44-F49 HydrophobicContact CB-CE2 4.31Å; L44-F49 HydrophobicContact CD1-CD2 3.76Å; L44-F49 HydrophobicContact CD1-CE2 3.79Å; L44-F49 HydrophobicContact CG-CD2 4.2Å; L44-F49 HydrophobicContact CG-CE2 4.42Å; L44-K119 HydrophobicContact CD1-CB 3.65Å; L44-K119 HydrophobicContact CD2-CB 4.26Å; L44-I120 HydrophobicContact CD1-CG1 3.8Å; L44-A123 HydrophobicContact CD2-CB 3.92Å
45	E	92.6	Very high	97.3	Very high	185 Å²	185	48.3 Å²	48.3	86%	0.864	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.5	179.1	-174.5	-173.6	-173.7	0	0	113.7
46	G	89.8	Confident	97.1	Very high	19 Å²	19	52.9 Å²	52.9	20%	0.196	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.8	-178.3	0	0	0	0	0	115.6	L44 C102 T103	L44-G46 PolarHBondContact O-N 3.4Å; G46-C102 WeakPolarHBondContact O-CA 3.31Å; G46-C102 VanDerWaalsContact O-CB 3.31Å; G46-C102 WeakPolarHBondContact O-CB 3.44Å; G46-T103 PolarHBondContact O-N 2.98Å; G46-T103 PolarHBondContact O-OG1 3.27Å
47	G	96.7	Very high	96.9	Very high	10 Å²	10	57.5 Å²	57.5	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.2	175.4	-176.6	0	0	0	0	0	115	L44 K101	L44-G47 PolarHBondContact N-O 3.39Å; L44-G47 PolarHBondContact O-N 2.93Å; G47-K101 CarbonylContact C-O 3.58Å; G47-K101 VanDerWaalsContact CA-O 3.25Å; G47-K101 WeakPolarHBondContact CA-O 3.39Å
48	T	98.4	Very high	96.8	Very high	38 Å²	38	54 Å²	54	23%	0.233	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.6	177.5	-47.4	0	0	0	0	109.2	D41 E43 T100 K101	D41-T48 HydrophobicContact CB-CG2 3.59Å; E43-T48 VanDerWaalsContact CD-OG1 3.31Å; E43-T48 WeakPolarHBondContact OE1-CG2 3.4Å; E43-T48 PolarHBondContact OE1-OG1 2.82Å; E43-T48 WeakPolarHBondContact OE2-CB 3.48Å; E43-T48 PolarHBondContact OE2-OG1 2.81Å; T48-T100 WeakPolarHBondContact O-CA 3.46Å; T48-K101 PolarHBondContact N-O 2.87Å; T48-K101 PolarHBondContact O-N 3.25Å
49	F	98.7	Very high	96.8	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.8	-177.2	-69.5	-95.9	0	0	0	111.3	I42 L44 R95 T100 C102 D116 I120	I42-F49 HydrophobicContact CB-CB 4.49Å; I42-F49 PolarHBondContact N-O 3.32Å; I42-F49 PolarHBondContact O-N 2.9Å; L44-F49 HydrophobicContact CB-CD2 4.42Å; L44-F49 HydrophobicContact CB-CE2 4.31Å; L44-F49 HydrophobicContact CD1-CD2 3.76Å; L44-F49 HydrophobicContact CD1-CE2 3.79Å; L44-F49 HydrophobicContact CG-CD2 4.2Å; L44-F49 HydrophobicContact CG-CE2 4.42Å; F49-R95 HydrophobicContact CE1-CB 4.44Å; F49-T100 WeakPolarHBondContact CA-OG1 3.44Å; F49-T100 HydrophobicContact CD1-CG2 3.55Å; F49-T100 HydrophobicContact CE1-CG2 3.85Å; F49-T100 HydrophobicContact CG-CG2 4.1Å; F49-C102 VanDerWaalsContact CZ-SG 3.53Å; F49-D116 HydrophobicContact CE1-CB 3.88Å; F49-D116 HydrophobicContact CZ-CB 3.79Å; F49-D116 VanDerWaalsContact CZ-CG 3.45Å; F49-I120 HydrophobicContact CB-CD1 3.79Å; F49-I120 HydrophobicContact CB-CG1 4.21Å; F49-I120 HydrophobicContact CD1-CD1 3.62Å; F49-I120 HydrophobicContact CD2-CD1 4.36Å; F49-I120 HydrophobicContact CD2-CG1 4.44Å; F49-I120 HydrophobicContact CE1-CD1 4.27Å; F49-I120 HydrophobicContact CG-CD1 3.66Å; F49-I120 HydrophobicContact CG-CG1 4.15Å
50	R	98.6	Very high	96.9	Very high	9 Å²	9	47.1 Å²	47.1	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134	176.6	169.9	63	48.1	59.9	16.8	110.8	R39 D40 D41 Y52 D93 D99 T100	R39-R50 VanDerWaalsContact CZ-CZ 3.5Å; D40-R50 WeakPolarHBondContact O-CD 3.36Å; D41-R50 WeakPolarHBondContact OD1-CA 3.24Å; D41-R50 IonicContact OD1-CZ 2.95Å; D41-R50 VanDerWaalsContact OD1-CZ 3.28Å; D41-R50 IonicContact OD1-NE 3.34Å; D41-R50 PolarHBondContact OD1-NE 3Å; D41-R50 IonicContact OD1-NH2 3.82Å; D41-R50 PolarHBondContact OD1-NH2 3.29Å; D41-R50 IonicContact OD2-CZ 2.63Å; D41-R50 IonicContact OD2-NE 2.72Å; D41-R50 IonicContact OD2-NH2 2.71Å; D41-R50 PolarHBondContact OD2-NH2 2.93Å; R50-Y52 HydrophobicContact CG-CD2 4.2Å; R50-Y52 HydrophobicContact CG-CE2 3.48Å; R50-Y52 VanDerWaalsContact CG-CE2 3.48Å; R50-D93 HydrophobicContact CB-CB 3.97Å; R50-D93 WeakPolarHBondContact CB-OD2 3.36Å; R50-D93 HydrophobicContact CG-CB 4.44Å; R50-D93 VanDerWaalsContact CG-OD2 3.24Å; R50-D93 WeakPolarHBondContact CG-OD2 3.08Å; R50-D93 PolarHBondContact O-N 3.35Å; R50-D99 HydrophobicContact CB-CB 3.98Å; R50-D99 HydrophobicContact CG-CB 4.07Å; R50-D99 VanDerWaalsContact CZ-CB 3.49Å; R50-D99 IonicContact CZ-OD2 3.79Å; R50-D99 IonicContact NH1-OD2 2.64Å; R50-D99 PolarHBondContact NH1-OD2 3.28Å; R50-T100 PolarHBondContact N-OG1 3.21Å
51	I	98.7	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.3	171.7	67.2	168	0	0	0	112.7	R39 D40 I42 R53 L90 A91 V92 M124	R39-I51 WeakPolarHBondContact CA-O 3.01Å; D40-I51 HydrophobicContact CB-CD1 4.19Å; D40-I51 HydrophobicContact CB-CG1 3.88Å; D40-I51 PolarHBondContact N-O 2.97Å; D40-I51 WeakPolarHBondContact O-CG1 3.35Å; D40-I51 PolarHBondContact O-N 2.94Å; I42-I51 HydrophobicContact CD1-CD1 3.89Å; I42-I51 HydrophobicContact CG1-CD1 3.9Å; I42-I51 HydrophobicContact CG1-CG1 4.27Å; I42-I51 HydrophobicContact CG1-CG2 4.04Å; I51-R53 HydrophobicContact CD1-CG 4.22Å; I51-L90 HydrophobicContact CB-CD2 4.33Å; I51-L90 HydrophobicContact CD1-CD1 4.26Å; I51-L90 HydrophobicContact CG2-CD2 4.22Å; I51-A91 CarbonylContact C-O 3.54Å; I51-A91 WeakPolarHBondContact CA-O 3.43Å; I51-V92 HydrophobicContact CG2-CG2 4.03Å; I51-M124 HydrophobicContact CD1-CE 3.56Å; I51-M124 HydrophobicContact CD1-SD 3.71Å
52	Y	98.8	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.6	171.9	-62.1	-91.6	0	0	0	110.1	W32 F36 I38 R39 R50 A71 L72 L90 A91	W32-Y52 HydrophobicContact CB-CD1 4.03Å; W32-Y52 HydrophobicContact CB-CE1 3.68Å; W32-Y52 AromaticContact CD1-CE1 3.94Å; W32-Y52 AromaticContact CD2-CD1 3.94Å; W32-Y52 HydrophobicContact CD2-CD1 3.94Å; W32-Y52 AromaticContact CD2-CE1 3.69Å; W32-Y52 HydrophobicContact CD2-CE1 3.69Å; W32-Y52 AromaticContact CE3-CD1 3.9Å; W32-Y52 HydrophobicContact CE3-CD1 3.9Å; W32-Y52 HydrophobicContact CE3-CE1 4.14Å; W32-Y52 HydrophobicContact CG-CD1 4.02Å; W32-Y52 AromaticContact CG-CE1 3.47Å; W32-Y52 HydrophobicContact CG-CE1 3.47Å; W32-Y52 VanDerWaalsContact CG-CE1 3.47Å; F36-Y52 HydrophobicContact CB-CD1 4.5Å; F36-Y52 HydrophobicContact CD2-CD1 4.12Å; F36-Y52 HydrophobicContact CD2-CG 4.1Å; F36-Y52 HydrophobicContact CE2-CG 4.33Å; F36-Y52 HydrophobicContact CG-CD1 4.47Å; F36-Y52 HydrophobicContact CG-CG 4.41Å; I38-Y52 CarbonylContact O-C 3.43Å; I38-Y52 WeakPolarHBondContact O-CA 3.44Å; R39-Y52 HydrophobicContact CB-CD1 4.07Å; R39-Y52 HydrophobicContact CB-CE1 4Å; R39-Y52 HydrophobicContact CG-CD1 4.21Å; R39-Y52 HydrophobicContact CG-CE1 3.73Å; R50-Y52 HydrophobicContact CG-CD2 4.2Å; R50-Y52 HydrophobicContact CG-CE2 3.48Å; R50-Y52 VanDerWaalsContact CG-CE2 3.48Å; Y52-A71 HydrophobicContact CD2-CB 3.51Å; Y52-A71 HydrophobicContact CE2-CB 3.9Å; Y52-L72 HydrophobicContact CD1-CD2 4.15Å; Y52-L72 HydrophobicContact CD2-CD2 4.18Å; Y52-L72 HydrophobicContact CE1-CD2 3.88Å; Y52-L72 HydrophobicContact CE2-CD2 3.91Å; Y52-L72 HydrophobicContact CE2-CG 4.39Å; Y52-L72 HydrophobicContact CG-CD2 4.29Å; Y52-L90 WeakPolarHBondContact O-CA 3.07Å; Y52-A91 PolarHBondContact N-O 3.4Å; Y52-A91 PolarHBondContact O-N 2.87Å
53	R	98.6	Very high	97	Very high	68 Å²	68	39.3 Å²	39.3	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.4	-174.3	-52.8	170.7	63.6	-171.6	-0.3	112.9	N37 I38 I51 C89 L90	N37-R53 PolarHBondContact N-O 3.05Å; I38-R53 HydrophobicContact CB-CB 4.19Å; I38-R53 PolarHBondContact N-O 3.49Å; I38-R53 PolarHBondContact O-N 3.31Å; I51-R53 HydrophobicContact CD1-CG 4.22Å; R53-C89 VanDerWaalsContact CA-O 3.26Å; R53-C89 WeakPolarHBondContact CA-O 3.36Å; R53-L90 HydrophobicContact CG-CD1 4.09Å; R53-L90 HydrophobicContact CG-CG 4.13Å
54	R	98.2	Very high	97	Very high	44 Å²	44	33.1 Å²	33.1	17%	0.166	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.2	172.5	-167.7	-167.1	176.9	81.5	-4	110.3	Y35 F36 N37 S78 T82 D83 Q88 C89	Y35-R54 VanDerWaalsContact O-CD 3.24Å; Y35-R54 WeakPolarHBondContact O-CD 3.35Å; Y35-R54 PolarHBondContact O-NH1 3.17Å; F36-R54 HydrophobicContact CD1-CB 4.11Å; N37-R54 VanDerWaalsContact OD1-CG 3.32Å; N37-R54 WeakPolarHBondContact OD1-CG 3.38Å; R54-S78 WeakPolarHBondContact CD-O 3.22Å; R54-T82 VanDerWaalsContact CD-OG1 3.31Å; R54-T82 WeakPolarHBondContact CD-OG1 3.44Å; R54-T82 HydrophobicContact CG-CG2 4.22Å; R54-T82 PolarHBondContact NE-OG1 2.95Å; R54-D83 IonicContact NH2-OD1 2.72Å; R54-Q88 CarbonylContact O-C 3.57Å; R54-C89 HydrophobicContact CB-CB 4.2Å; R54-C89 PolarHBondContact N-O 2.7Å; R54-C89 PolarHBondContact O-N 2.85Å
55	G	96.5	Very high	97.1	Very high	21 Å²	21	31.5 Å²	31.5	22%	0.216	18%	0.176	C	C	.	.			trans	81.1	158.5	-179.6	0	0	0	0	0	113.3
56	V	93.6	Very high	97.4	Very high	128 Å²	128	22.7 Å²	22.7	78%	0.776	14%	0.135	S	C	*	.	S	Bend	trans	-134.7	-5.4	-171.3	-64.8	0	0	0	0	114.1
57	E	93	Very high	97.7	Very high	100 Å²	100	22.3 Å²	22.3	47%	0.467	13%	0.131	S	C	.	.	S	Bend	trans	-132	155.2	-174.5	-77.8	177.1	-151.5	0	0	111.4	K86 C87 Q88	E57-K86 CarbonylContact O-C 3.56Å; E57-K86 IonicContact OE2-NZ 2.75Å; E57-K86 PolarHBondContact OE2-NZ 2.92Å; E57-C87 CarbonylContact O-C 3.54Å; E57-C87 WeakPolarHBondContact O-CA 2.99Å; E57-C87 PolarHBondContact O-N 3.37Å; E57-Q88 PolarHBondContact O-N 2.79Å
58	G	96.6	Very high	97.7	Very high	34 Å²	34	22.3 Å²	22.3	35%	0.351	13%	0.131	S	C	.	.	S	Bend	trans	79.8	-167.6	175.1	0	0	0	0	0	113.6	Q88	G58-Q88 PolarHBondContact O-NE2 3.22Å
59	P	98.2	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.013	12%	0.124	C	C	.	.			trans	-67.9	153.8	-176.3	30.8	-36.9	0	0	0	111.7	K86 C87 Q88 P131 I133 L442 F447	P59-K86 WeakPolarHBondContact CD-O 3.24Å; P59-C87 HydrophobicContact CG-CB 4.43Å; P59-Q88 PolarHBondContact O-N 3.25Å; P59-P131 CarbonylContact C-O 3.57Å; P59-P131 WeakPolarHBondContact CA-O 3.48Å; P59-P131 HydrophobicContact CB-CB 4.23Å; P59-P131 WeakPolarHBondContact CB-O 3.29Å; P59-I133 HydrophobicContact CB-CD1 3.53Å; P59-I133 HydrophobicContact CG-CD1 4.25Å; P59-L442 HydrophobicContact CG-CD2 4.47Å; P59-F447 HydrophobicContact CB-CB 4.45Å; P59-F447 WeakPolarHBondContact CD-O 3.21Å; P59-F447 HydrophobicContact CG-CB 4.19Å
60	L	98.7	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.8	177.2	-178.3	68.1	0	0	0	110.8	F62 Q88 L90 Y125 P130 P131 I132 I133	L60-F62 HydrophobicContact CD2-CD2 4.03Å; L60-F62 PolarHBondContact O-N 3.35Å; L60-Q88 HydrophobicContact CD1-CB 3.73Å; L60-L90 HydrophobicContact CD1-CB 3.76Å; L60-Y125 HydrophobicContact CD2-CE2 3.55Å; L60-P130 HydrophobicContact CB-CG 3.93Å; L60-P131 PolarHBondContact N-O 3.04Å; L60-I132 HydrophobicContact CB-CG1 4.41Å; L60-I132 HydrophobicContact CD2-CD1 4.38Å; L60-I132 HydrophobicContact CD2-CG1 4.25Å; L60-I132 WeakPolarHBondContact O-CA 3.37Å; L60-I133 PolarHBondContact O-N 3.2Å
61	L	98.8	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.1	163.2	-58.9	-175.2	0	0	0	108.7	F63 I81 Q88 L90 I133 V135 L442	L61-F63 HydrophobicContact CB-CE1 4.09Å; L61-F63 HydrophobicContact CB-CE2 3.87Å; L61-F63 HydrophobicContact CB-CZ 3.58Å; L61-F63 HydrophobicContact CD1-CE1 4.48Å; L61-F63 HydrophobicContact CD1-CZ 3.82Å; L61-F63 HydrophobicContact CG-CZ 4.35Å; L61-I81 HydrophobicContact CD1-CG1 3.83Å; L61-I81 HydrophobicContact CD1-CG2 4.08Å; L61-Q88 PolarHBondContact N-O 3.46Å; L61-L90 PolarHBondContact O-N 3.38Å; L61-I133 HydrophobicContact CD2-CB 3.78Å; L61-I133 HydrophobicContact CD2-CD1 4.35Å; L61-I133 HydrophobicContact CD2-CG1 4.32Å; L61-I133 HydrophobicContact CD2-CG2 4.16Å; L61-V135 HydrophobicContact CD2-CG2 4.43Å; L61-L442 HydrophobicContact CD1-CD1 4.38Å; L61-L442 HydrophobicContact CD2-CD1 4.13Å; L61-L442 HydrophobicContact CD2-CD2 4.02Å
62	F	98.8	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.3	-178.9	-164.4	-68.3	0	0	0	109.5	L60 L64 L90 V92 I117 I120 I121 I132 I133 L134 V135	L60-F62 HydrophobicContact CD2-CD2 4.03Å; L60-F62 PolarHBondContact O-N 3.35Å; F62-L64 HydrophobicContact CD1-CD2 3.86Å; F62-L64 HydrophobicContact CD1-CG 4.43Å; F62-L64 HydrophobicContact CE1-CD2 3.64Å; F62-L90 CarbonylContact C-O 3.5Å; F62-L90 WeakPolarHBondContact CA-O 3.45Å; F62-L90 HydrophobicContact CD2-CD2 4.02Å; F62-L90 HydrophobicContact CE1-CD2 4.44Å; F62-L90 HydrophobicContact CE2-CD2 3.69Å; F62-L90 HydrophobicContact CZ-CD2 3.94Å; F62-V92 HydrophobicContact CD1-CG2 4.44Å; F62-V92 HydrophobicContact CE1-CB 4.43Å; F62-V92 HydrophobicContact CE1-CG2 3.46Å; F62-V92 VanDerWaalsContact CE1-CG2 3.46Å; F62-V92 HydrophobicContact CE2-CG2 4.34Å; F62-V92 HydrophobicContact CZ-CG2 3.41Å; F62-V92 VanDerWaalsContact CZ-CG2 3.41Å; F62-I117 HydrophobicContact CD1-CG2 4.5Å; F62-I117 HydrophobicContact CE1-CD1 4.42Å; F62-I117 HydrophobicContact CE1-CG2 3.85Å; F62-I117 HydrophobicContact CZ-CG2 4.27Å; F62-I120 HydrophobicContact CE2-CG2 4.4Å; F62-I120 HydrophobicContact CZ-CG2 3.97Å; F62-I121 HydrophobicContact CD2-CD1 4.14Å; F62-I121 HydrophobicContact CD2-CG1 3.81Å; F62-I121 HydrophobicContact CE2-CD1 4.02Å; F62-I121 HydrophobicContact CE2-CG1 3.32Å; F62-I121 HydrophobicContact CG-CD1 4.47Å; F62-I121 HydrophobicContact CZ-CD1 4.22Å; F62-I121 HydrophobicContact CZ-CG1 3.72Å; F62-I132 HydrophobicContact CB-CG2 3.97Å; F62-I133 PolarHBondContact N-O 3.07Å; F62-L134 HydrophobicContact CB-CD2 4.11Å; F62-L134 HydrophobicContact CD1-CD2 4.12Å; F62-L134 HydrophobicContact CG-CD2 4.26Å; F62-V135 PolarHBondContact O-N 3.08Å
63	F	98.9	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.2	-167.7	-63.9	-65.2	0	0	0	113.5	L61 W74 L77 C89 L90 A91 V92 V135	L61-F63 HydrophobicContact CB-CE1 4.09Å; L61-F63 HydrophobicContact CB-CE2 3.87Å; L61-F63 HydrophobicContact CB-CZ 3.58Å; L61-F63 HydrophobicContact CD1-CE1 4.48Å; L61-F63 HydrophobicContact CD1-CZ 3.82Å; L61-F63 HydrophobicContact CG-CZ 4.35Å; F63-W74 HydrophobicContact CB-CB 4.18Å; F63-W74 HydrophobicContact CB-CD2 3.64Å; F63-W74 HydrophobicContact CB-CE3 4.35Å; F63-W74 HydrophobicContact CB-CG 3.51Å; F63-W74 HydrophobicContact CB-CZ2 4.45Å; F63-W74 AromaticContact CD1-CD2 3.73Å; F63-W74 HydrophobicContact CD1-CD2 3.73Å; F63-W74 AromaticContact CD1-CE3 3.54Å; F63-W74 HydrophobicContact CD1-CE3 3.54Å; F63-W74 HydrophobicContact CD1-CG 4.21Å; F63-W74 HydrophobicContact CD1-CH2 4.38Å; F63-W74 AromaticContact CD1-CZ3 3.88Å; F63-W74 HydrophobicContact CD1-CZ3 3.88Å; F63-W74 HydrophobicContact CD2-CB 4.07Å; F63-W74 HydrophobicContact CD2-CG 4.26Å; F63-W74 HydrophobicContact CE1-CE3 4.02Å; F63-W74 HydrophobicContact CE1-CZ3 4.31Å; F63-W74 HydrophobicContact CG-CB 4.09Å; F63-W74 AromaticContact CG-CD2 3.78Å; F63-W74 HydrophobicContact CG-CD2 3.78Å; F63-W74 HydrophobicContact CG-CE3 4.06Å; F63-W74 AromaticContact CG-CG 3.79Å; F63-W74 HydrophobicContact CG-CG 3.79Å; F63-L77 HydrophobicContact CE1-CD2 4.05Å; F63-L77 HydrophobicContact CZ-CD2 4.33Å; F63-C89 HydrophobicContact CD2-CB 4.41Å; F63-C89 HydrophobicContact CE2-CB 3.75Å; F63-L90 PolarHBondContact N-O 3.41Å; F63-A91 HydrophobicContact CB-CB 4.08Å; F63-A91 HydrophobicContact CD2-CB 4.41Å; F63-V92 PolarHBondContact O-N 3.44Å; F63-V135 CarbonylContact C-O 3.26Å; F63-V135 WeakPolarHBondContact CA-O 3.5Å; F63-V135 HydrophobicContact CD1-CB 3.56Å; F63-V135 HydrophobicContact CD1-CG1 3.72Å; F63-V135 HydrophobicContact CD1-CG2 4.15Å; F63-V135 HydrophobicContact CE1-CB 3.84Å; F63-V135 HydrophobicContact CE1-CG1 3.84Å; F63-V135 HydrophobicContact CE1-CG2 3.97Å
64	L	98.9	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.2	179.4	-54.4	-176	0	0	0	110.9	F62 W74 M94 I117 V135 G136 H137 V143 A144	F62-L64 HydrophobicContact CD1-CD2 3.86Å; F62-L64 HydrophobicContact CD1-CG 4.43Å; F62-L64 HydrophobicContact CE1-CD2 3.64Å; L64-W74 VanDerWaalsContact O-CZ2 3.32Å; L64-W74 WeakPolarHBondContact O-CZ2 3.33Å; L64-M94 HydrophobicContact CB-SD 4.38Å; L64-M94 HydrophobicContact CD2-SD 4.48Å; L64-I117 HydrophobicContact CD1-CG1 4.22Å; L64-I117 HydrophobicContact CD1-CG2 4.47Å; L64-I117 HydrophobicContact CD2-CD1 3.49Å; L64-I117 VanDerWaalsContact CD2-CD1 3.49Å; L64-I117 HydrophobicContact CD2-CG1 3.89Å; L64-I117 HydrophobicContact CD2-CG2 4.32Å; L64-V135 PolarHBondContact N-O 2.77Å; L64-G136 WeakPolarHBondContact O-CA 3.03Å; L64-H137 PolarHBondContact O-N 3.11Å; L64-V143 HydrophobicContact CD1-CB 4.16Å; L64-V143 HydrophobicContact CD1-CG1 3.9Å; L64-A144 HydrophobicContact CD1-CB 3.99Å
65	H	98.8	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-72.9	168.8	-174.9	66.4	73.1	0	0	0	114.3	F69 S70 A71 V92 M94 H97 H137 G140	H65-F69 HydrophobicContact CB-CB 4Å; H65-S70 VanDerWaalsContact CB-O 3.23Å; H65-S70 WeakPolarHBondContact CB-O 3.41Å; H65-A71 PolarHBondContact CD2-N 2.57Å; H65-V92 PolarHBondContact CD2-O 3.44Å; H65-M94 PolarHBondContact NE2-N 3.21Å; H65-M94 WeakPolarHBondContact O-CE 3.43Å; H65-H97 VanDerWaalsContact CE1-CB 3.41Å; H65-H97 WeakPolarHBondContact CE1-CB 3.36Å; H65-H97 AromaticContact CE1-CD2 3.57Å; H65-H97 AromaticContact CE1-CG 3.41Å; H65-H97 VanDerWaalsContact CE1-CG 3.41Å; H65-H137 CarbonylContact C-O 3.59Å; H65-G140 VanDerWaalsContact O-CA 3.29Å; H65-G140 WeakPolarHBondContact O-CA 3.28Å; H65-G140 PolarHBondContact O-N 2.77Å; H65-G140 VanDerWaalsContact O-N 3.12Å
66	G	97.8	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-75	171.2	174.2	0	0	0	0	0	114.4	G68 F69 H137	G66-G68 PolarHBondContact O-N 3.31Å; G66-F69 WeakPolarHBondContact O-CB 3.35Å; G66-F69 PolarHBondContact O-N 3.08Å; G66-H137 VanDerWaalsContact CA-O 3.27Å; G66-H137 WeakPolarHBondContact CA-O 3.09Å; G66-H137 PolarHBondContact N-O 3.15Å
67	G	96.8	Very high	98.1	Very high	12 Å²	12	9.9 Å²	9.9	12%	0.124	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	129.2	175.5	0	0	0	0	0	111.7	F69	G67-F69 VanDerWaalsContact C-N 3.31Å; G67-F69 VanDerWaalsContact O-CD2 3.26Å; G67-F69 WeakPolarHBondContact O-CD2 3.47Å
68	G	96.6	Very high	98.3	Very high	10 Å²	10	5.1 Å²	5.1	10%	0.103	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-4.1	-175.3	0	0	0	0	0	115.4	G66 H97 Q216	G66-G68 PolarHBondContact O-N 3.31Å; G68-H97 PolarHBondContact N-CD2 3.37Å; G68-H97 VanDerWaalsContact N-CD2 3.34Å; G68-H97 PolarHBondContact N-NE2 3.49Å; G68-Q216 WeakPolarHBondContact O-CG 3.49Å
69	F	98.1	Very high	98.4	Very high	19 Å²	19	4.7 Å²	4.7	8%	0.083	3%	0.032	C	C	.	.			trans	-93.6	-165.5	177.6	-64.9	-99.1	0	0	0	111.5	H65 G66 G67 T73 H97 A425 E428	H65-F69 HydrophobicContact CB-CB 4Å; G66-F69 WeakPolarHBondContact O-CB 3.35Å; G66-F69 PolarHBondContact O-N 3.08Å; G67-F69 VanDerWaalsContact C-N 3.31Å; G67-F69 VanDerWaalsContact O-CD2 3.26Å; G67-F69 WeakPolarHBondContact O-CD2 3.47Å; F69-T73 WeakPolarHBondContact CD1-OG1 3.45Å; F69-H97 PolarHBondContact O-CD2 2.8Å; F69-H97 VanDerWaalsContact O-CD2 3.32Å; F69-A425 HydrophobicContact CE1-CB 4.26Å; F69-A425 HydrophobicContact CZ-CB 4.47Å; F69-E428 WeakPolarHBondContact CD1-OE1 3.32Å
70	S	98.7	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.			trans	-147.6	176	172.2	76	0	0	0	0	110.4	H65 L72 T73 D93	H65-S70 VanDerWaalsContact CB-O 3.23Å; H65-S70 WeakPolarHBondContact CB-O 3.41Å; S70-L72 PolarHBondContact O-N 3.01Å; S70-L72 VanDerWaalsContact O-N 3.08Å; S70-L72 PolarHBondContact OG-N 3.37Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.38Å; S70-T73 PolarHBondContact O-N 3.41Å; S70-T73 VanDerWaalsContact O-N 3.15Å; S70-T73 PolarHBondContact O-OG1 3.25Å; S70-D93 VanDerWaalsContact CB-OD1 3.32Å; S70-D93 WeakPolarHBondContact CB-OD1 3.27Å
71	A	98.8	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-52.4	-28	172.8	0	0	0	0	0	113.3	Y52 H65 T73 W74 A91 D93	Y52-A71 HydrophobicContact CD2-CB 3.51Å; Y52-A71 HydrophobicContact CE2-CB 3.9Å; H65-A71 PolarHBondContact CD2-N 2.57Å; A71-T73 PolarHBondContact O-N 3.37Å; A71-W74 WeakPolarHBondContact O-CB 3.41Å; A71-W74 VanDerWaalsContact O-CD1 3.27Å; A71-W74 PolarHBondContact O-N 3.21Å; A71-A91 HydrophobicContact CB-CB 3.73Å; A71-A91 WeakPolarHBondContact O-CB 3.45Å; A71-D93 WeakPolarHBondContact CB-OD1 3.28Å; A71-D93 PolarHBondContact N-OD1 2.94Å
72	L	98.7	Very high	98.3	Very high	6 Å²	6	7.3 Å²	7.3	3%	0.031	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-69.5	-14.7	-177.3	-59.4	-177.5	0	0	0	113.6	W32 F36 Y52 S70 W74 A75 V211 S212 T227	W32-L72 HydrophobicContact CB-CD2 3.56Å; F36-L72 HydrophobicContact CD2-CD2 4.49Å; F36-L72 HydrophobicContact CE2-CD2 4.21Å; Y52-L72 HydrophobicContact CD1-CD2 4.15Å; Y52-L72 HydrophobicContact CD2-CD2 4.18Å; Y52-L72 HydrophobicContact CE1-CD2 3.88Å; Y52-L72 HydrophobicContact CE2-CD2 3.91Å; Y52-L72 HydrophobicContact CE2-CG 4.39Å; Y52-L72 HydrophobicContact CG-CD2 4.29Å; S70-L72 PolarHBondContact O-N 3.01Å; S70-L72 VanDerWaalsContact O-N 3.08Å; S70-L72 PolarHBondContact OG-N 3.37Å; L72-W74 PolarHBondContact O-N 2.96Å; L72-W74 VanDerWaalsContact O-N 3.1Å; L72-A75 VanDerWaalsContact O-CB 3.23Å; L72-A75 WeakPolarHBondContact O-CB 3.1Å; L72-A75 PolarHBondContact O-N 2.81Å; L72-A75 VanDerWaalsContact O-N 3.08Å; L72-V211 WeakPolarHBondContact CD1-O 3.28Å; L72-S212 WeakPolarHBondContact O-CB 3.26Å; L72-T227 HydrophobicContact CD1-CG2 3.53Å
73	T	98.6	Very high	98.2	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.025	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-53.1	-25.1	165.9	-76.6	0	0	0	0	112.7	F69 S70 A71 Q427 E428	F69-T73 WeakPolarHBondContact CD1-OG1 3.45Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.38Å; S70-T73 PolarHBondContact O-N 3.41Å; S70-T73 VanDerWaalsContact O-N 3.15Å; S70-T73 PolarHBondContact O-OG1 3.25Å; A71-T73 PolarHBondContact O-N 3.37Å; T73-Q427 HydrophobicContact CG2-CG 3.72Å; T73-E428 VanDerWaalsContact CB-OE1 3.31Å; T73-E428 WeakPolarHBondContact CB-OE1 3.39Å; T73-E428 HydrophobicContact CG2-CG 3.74Å; T73-E428 VanDerWaalsContact CG2-OE1 3.26Å; T73-E428 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E428 PolarHBondContact OG1-OE1 2.98Å
74	W	98.8	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-96.3	1.3	-177.5	-53.6	106.1	0	0	0	113.8	F36 F63 L64 A71 L72 L77 S78 A91 V135 H137 I162 Q427	F36-W74 HydrophobicContact CZ-CB 4.47Å; F63-W74 HydrophobicContact CB-CB 4.18Å; F63-W74 HydrophobicContact CB-CD2 3.64Å; F63-W74 HydrophobicContact CB-CE3 4.35Å; F63-W74 HydrophobicContact CB-CG 3.51Å; F63-W74 HydrophobicContact CB-CZ2 4.45Å; F63-W74 AromaticContact CD1-CD2 3.73Å; F63-W74 HydrophobicContact CD1-CD2 3.73Å; F63-W74 AromaticContact CD1-CE3 3.54Å; F63-W74 HydrophobicContact CD1-CE3 3.54Å; F63-W74 HydrophobicContact CD1-CG 4.21Å; F63-W74 HydrophobicContact CD1-CH2 4.38Å; F63-W74 AromaticContact CD1-CZ3 3.88Å; F63-W74 HydrophobicContact CD1-CZ3 3.88Å; F63-W74 HydrophobicContact CD2-CB 4.07Å; F63-W74 HydrophobicContact CD2-CG 4.26Å; F63-W74 HydrophobicContact CE1-CE3 4.02Å; F63-W74 HydrophobicContact CE1-CZ3 4.31Å; F63-W74 HydrophobicContact CG-CB 4.09Å; F63-W74 AromaticContact CG-CD2 3.78Å; F63-W74 HydrophobicContact CG-CD2 3.78Å; F63-W74 HydrophobicContact CG-CE3 4.06Å; F63-W74 AromaticContact CG-CG 3.79Å; F63-W74 HydrophobicContact CG-CG 3.79Å; L64-W74 VanDerWaalsContact O-CZ2 3.32Å; L64-W74 WeakPolarHBondContact O-CZ2 3.33Å; A71-W74 WeakPolarHBondContact O-CB 3.41Å; A71-W74 VanDerWaalsContact O-CD1 3.27Å; A71-W74 PolarHBondContact O-N 3.21Å; L72-W74 PolarHBondContact O-N 2.96Å; L72-W74 VanDerWaalsContact O-N 3.1Å; W74-L77 HydrophobicContact CE3-CD2 3.71Å; W74-L77 HydrophobicContact CZ3-CD2 3.9Å; W74-L77 PolarHBondContact O-N 3.47Å; W74-S78 VanDerWaalsContact O-CB 3.24Å; W74-S78 WeakPolarHBondContact O-CB 3.33Å; W74-S78 PolarHBondContact O-N 3.2Å; W74-S78 PolarHBondContact O-OG 3.37Å; W74-A91 HydrophobicContact CB-CB 4.06Å; W74-A91 HydrophobicContact CG-CB 4.28Å; W74-V135 HydrophobicContact CH2-CG1 4.01Å; W74-V135 HydrophobicContact CZ3-CG1 4.04Å; W74-H137 HydrophobicContact CH2-CB 3.86Å; W74-H137 HydrophobicContact CZ2-CB 3.82Å; W74-I162 HydrophobicContact CH2-CD1 3.78Å; W74-I162 HydrophobicContact CZ3-CD1 3.82Å; W74-Q427 HydrophobicContact CE3-CB 4.14Å; W74-Q427 HydrophobicContact CE3-CG 3.9Å; W74-Q427 HydrophobicContact CH2-CB 4.4Å; W74-Q427 HydrophobicContact CH2-CG 4Å; W74-Q427 HydrophobicContact CZ3-CB 3.68Å; W74-Q427 HydrophobicContact CZ3-CG 3.58Å
75	A	98.8	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-58.1	-171.1	0	0	0	0	0	113.1	Y35 F36 L72 L77 S78 S79 V211	Y35-A75 HydrophobicContact CD1-CB 4.44Å; Y35-A75 HydrophobicContact CD2-CB 4.04Å; Y35-A75 HydrophobicContact CG-CB 3.82Å; F36-A75 HydrophobicContact CD2-CB 4.43Å; F36-A75 HydrophobicContact CE2-CB 3.73Å; F36-A75 HydrophobicContact CZ-CB 4.38Å; L72-A75 VanDerWaalsContact O-CB 3.23Å; L72-A75 WeakPolarHBondContact O-CB 3.1Å; L72-A75 PolarHBondContact O-N 2.81Å; L72-A75 VanDerWaalsContact O-N 3.08Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 2.64Å; A75-S78 PolarHBondContact O-N 3.06Å; A75-S79 PolarHBondContact O-N 3.18Å; A75-V211 HydrophobicContact CB-CB 4.4Å; A75-V211 HydrophobicContact CB-CG1 3.65Å; A75-V211 HydrophobicContact CB-CG2 3.81Å
76	V	98.7	Very high	97.9	Very high	18 Å²	18	19 Å²	19	11%	0.109	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-43.1	-178.8	-176.5	0	0	0	0	110.8	Y35 S78 S79 L80 V211 P431	Y35-V76 HydrophobicContact CD1-CG2 4.4Å; Y35-V76 HydrophobicContact CE1-CB 4.35Å; Y35-V76 HydrophobicContact CE1-CG2 3.8Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.31Å; V76-S79 PolarHBondContact O-N 3.3Å; V76-L80 HydrophobicContact CG1-CD1 3.86Å; V76-L80 HydrophobicContact CG1-CG 4.46Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 2.91Å; V76-L80 VanDerWaalsContact O-N 3.13Å; V76-V211 HydrophobicContact CG2-CG1 4.21Å; V76-P431 HydrophobicContact CB-CB 4.18Å; V76-P431 HydrophobicContact CB-CG 4.23Å; V76-P431 HydrophobicContact CG1-CB 3.83Å; V76-P431 HydrophobicContact CG1-CG 3.59Å
77	L	98.7	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-44.8	176.8	179.4	62.6	0	0	0	111.8	F63 W74 A75 S79 L80 I81 Q427 P431 V434 A435 L438	F63-L77 HydrophobicContact CE1-CD2 4.05Å; F63-L77 HydrophobicContact CZ-CD2 4.33Å; W74-L77 HydrophobicContact CE3-CD2 3.71Å; W74-L77 HydrophobicContact CZ3-CD2 3.9Å; W74-L77 PolarHBondContact O-N 3.47Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-L77 PolarHBondContact O-N 2.64Å; L77-S79 VanDerWaalsContact C-N 3.31Å; L77-S79 PolarHBondContact O-N 2.8Å; L77-L80 PolarHBondContact O-N 3.31Å; L77-I81 VanDerWaalsContact O-CG2 3.26Å; L77-I81 WeakPolarHBondContact O-CG2 3.43Å; L77-I81 PolarHBondContact O-N 3.21Å; L77-Q427 HydrophobicContact CD2-CB 4.33Å; L77-P431 WeakPolarHBondContact CD1-O 3.19Å; L77-V434 HydrophobicContact CD1-CB 4.09Å; L77-V434 HydrophobicContact CD1-CG1 3.81Å; L77-V434 HydrophobicContact CD2-CG1 3.92Å; L77-A435 HydrophobicContact CD1-CB 3.78Å; L77-L438 HydrophobicContact CD1-CD1 4.28Å; L77-L438 HydrophobicContact CD2-CD1 3.92Å; L77-L438 HydrophobicContact CG-CD1 4.49Å
78	S	98.7	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-40.2	-178.9	-62.9	0	0	0	0	111.4	F36 R54 W74 A75 V76 T82	F36-S78 WeakPolarHBondContact CE1-OG 3.15Å; R54-S78 WeakPolarHBondContact CD-O 3.22Å; W74-S78 VanDerWaalsContact O-CB 3.24Å; W74-S78 WeakPolarHBondContact O-CB 3.33Å; W74-S78 PolarHBondContact O-N 3.2Å; W74-S78 PolarHBondContact O-OG 3.37Å; A75-S78 PolarHBondContact O-N 3.06Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.31Å; S78-T82 VanDerWaalsContact O-CG2 3.28Å; S78-T82 WeakPolarHBondContact O-CG2 3.37Å; S78-T82 PolarHBondContact O-N 3.38Å; S78-T82 PolarHBondContact O-OG1 3.03Å
79	S	98.2	Very high	98	Very high	24 Å²	24	19.3 Å²	19.3	17%	0.168	10%	0.098	C	C	.	.	H	α-helix	trans	-60.9	-55.7	173.3	-166.5	0	0	0	0	111	A75 V76 L77 I81 T82 D83	A75-S79 PolarHBondContact O-N 3.18Å; V76-S79 PolarHBondContact O-N 3.3Å; L77-S79 VanDerWaalsContact C-N 3.31Å; L77-S79 PolarHBondContact O-N 2.8Å; S79-I81 PolarHBondContact O-N 3.35Å; S79-T82 PolarHBondContact O-N 3.4Å; S79-T82 PolarHBondContact O-OG1 3.08Å; S79-D83 VanDerWaalsContact O-CG 3.23Å; S79-D83 PolarHBondContact O-N 2.74Å
80	L	98.1	Very high	98.1	Very high	52 Å²	52	18.4 Å²	18.4	27%	0.272	9%	0.094	S	C	.	.	H	α-helix	trans	-61.7	-41.8	-174	-66.3	169.5	0	0	0	113.1	V76 L77 D83 Q84 P431 D432 A435	V76-L80 HydrophobicContact CG1-CD1 3.86Å; V76-L80 HydrophobicContact CG1-CG 4.46Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 2.91Å; V76-L80 VanDerWaalsContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.31Å; L80-D83 PolarHBondContact O-N 3.5Å; L80-Q84 WeakPolarHBondContact O-CG 3.34Å; L80-Q84 PolarHBondContact O-N 3.38Å; L80-P431 HydrophobicContact CD1-CB 3.89Å; L80-P431 HydrophobicContact CD1-CG 4.16Å; L80-D432 HydrophobicContact CD1-CB 4.35Å; L80-A435 HydrophobicContact CB-CB 3.79Å
81	I	98.1	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70	-37.8	-178.4	-170.1	59.7	0	0	0	112.1	L61 L77 S79 D83 Q84 V85 A435 L438 A439	L61-I81 HydrophobicContact CD1-CG1 3.83Å; L61-I81 HydrophobicContact CD1-CG2 4.08Å; L77-I81 VanDerWaalsContact O-CG2 3.26Å; L77-I81 WeakPolarHBondContact O-CG2 3.43Å; L77-I81 PolarHBondContact O-N 3.21Å; S79-I81 PolarHBondContact O-N 3.35Å; I81-D83 PolarHBondContact O-N 2.67Å; I81-Q84 PolarHBondContact O-N 3.16Å; I81-Q84 VanDerWaalsContact O-N 3.15Å; I81-V85 HydrophobicContact CD1-CG2 3.82Å; I81-V85 HydrophobicContact CG1-CG2 4.03Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 3.45Å; I81-A435 HydrophobicContact CB-CB 4.33Å; I81-A435 VanDerWaalsContact CD1-O 3.28Å; I81-A435 WeakPolarHBondContact CD1-O 3.24Å; I81-L438 HydrophobicContact CD1-CB 3.92Å; I81-A439 HydrophobicContact CD1-CB 3.8Å
82	T	97.2	Very high	98.1	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.043	9%	0.094	C	C	.	.	H	α-helix	trans	-69.7	-21.6	177.6	57.7	0	0	0	0	113.3	R54 S78 S79 R451	R54-T82 VanDerWaalsContact CD-OG1 3.31Å; R54-T82 WeakPolarHBondContact CD-OG1 3.44Å; R54-T82 HydrophobicContact CG-CG2 4.22Å; R54-T82 PolarHBondContact NE-OG1 2.95Å; S78-T82 VanDerWaalsContact O-CG2 3.28Å; S78-T82 WeakPolarHBondContact O-CG2 3.37Å; S78-T82 PolarHBondContact O-N 3.38Å; S78-T82 PolarHBondContact O-OG1 3.03Å; S79-T82 PolarHBondContact O-N 3.4Å; S79-T82 PolarHBondContact O-OG1 3.08Å; T82-R451 WeakPolarHBondContact O-CD 3.31Å; T82-R451 PolarHBondContact O-NE 3.22Å
83	D	96.1	Very high	98.1	Very high	96 Å²	96	18.2 Å²	18.2	51%	0.513	9%	0.093	S	C	.	.	H	α-helix	trans	-78.5	-26.1	173.9	-62	-19	0	0	0	111.3	R54 S79 L80 I81 R451	R54-D83 IonicContact NH2-OD1 2.72Å; S79-D83 VanDerWaalsContact O-CG 3.23Å; S79-D83 PolarHBondContact O-N 2.74Å; L80-D83 PolarHBondContact O-N 3.5Å; I81-D83 PolarHBondContact O-N 2.67Å; D83-R451 WeakPolarHBondContact O-CD 3.15Å
84	Q	95.8	Very high	98.1	Very high	62 Å²	62	18.1 Å²	18.1	29%	0.29	9%	0.093	S	C	.	.	H	α-helix	trans	-90	-36.6	-178.8	-67.5	177.5	25.6	0	0	114	L80 I81 A435 E436 A439 R451	L80-Q84 WeakPolarHBondContact O-CG 3.34Å; L80-Q84 PolarHBondContact O-N 3.38Å; I81-Q84 PolarHBondContact O-N 3.16Å; I81-Q84 VanDerWaalsContact O-N 3.15Å; Q84-A435 PolarHBondContact OE1-O 3.38Å; Q84-E436 VanDerWaalsContact OE1-CA 3.31Å; Q84-A439 HydrophobicContact CB-CB 4.25Å; Q84-R451 PolarHBondContact O-N 3.17Å
85	V	97.1	Very high	98	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-139.4	158.3	-176.3	-65.1	0	0	0	0	111.5	I81 C87 A439 L442 V443 T448 R451	I81-V85 HydrophobicContact CD1-CG2 3.82Å; I81-V85 HydrophobicContact CG1-CG2 4.03Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 3.45Å; V85-C87 HydrophobicContact CG2-CB 4.26Å; V85-C87 PolarHBondContact O-N 2.84Å; V85-C87 VanDerWaalsContact O-N 3.15Å; V85-A439 HydrophobicContact CG1-CB 3.7Å; V85-L442 HydrophobicContact CG2-CD1 3.99Å; V85-V443 HydrophobicContact CG1-CG2 4.13Å; V85-T448 HydrophobicContact CB-CG2 3.8Å; V85-T448 HydrophobicContact CG1-CG2 4.14Å; V85-T448 HydrophobicContact CG2-CG2 4.23Å; V85-R451 PolarHBondContact O-NE 3.14Å
86	K	96.9	Very high	98	Very high	86 Å²	86	19.1 Å²	19.1	37%	0.374	10%	0.099	S	C	.	.	S	Bend	trans	-72.2	106.4	168.5	-65.7	-175.5	176.6	-163.1	0	109	E57 P59 T448 R451	E57-K86 CarbonylContact O-C 3.56Å; E57-K86 IonicContact OE2-NZ 2.75Å; E57-K86 PolarHBondContact OE2-NZ 2.92Å; P59-K86 WeakPolarHBondContact CD-O 3.24Å; K86-T448 WeakPolarHBondContact O-CB 3.43Å; K86-T448 PolarHBondContact O-OG1 3.33Å; K86-R451 HydrophobicContact CG-CG 4.33Å
87	C	98	Very high	98	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.094	C	C	.	.			trans	-150.6	163.4	173.7	64.1	0	0	0	0	111.1	E57 P59 V85	E57-C87 CarbonylContact O-C 3.54Å; E57-C87 WeakPolarHBondContact O-CA 2.99Å; E57-C87 PolarHBondContact O-N 3.37Å; P59-C87 HydrophobicContact CG-CB 4.43Å; V85-C87 HydrophobicContact CG2-CB 4.26Å; V85-C87 PolarHBondContact O-N 2.84Å; V85-C87 VanDerWaalsContact O-N 3.15Å
88	Q	98.1	Very high	97.9	Very high	26 Å²	26	18.3 Å²	18.3	12%	0.121	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.8	168.3	-61.7	172.8	66.3	0	0	108.1	R54 E57 G58 P59 L60 L61	R54-Q88 CarbonylContact O-C 3.57Å; E57-Q88 PolarHBondContact O-N 2.79Å; G58-Q88 PolarHBondContact O-NE2 3.22Å; P59-Q88 PolarHBondContact O-N 3.25Å; L60-Q88 HydrophobicContact CD1-CB 3.73Å; L61-Q88 PolarHBondContact N-O 3.46Å
89	C	98.7	Very high	97.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.9	174.8	-68.6	0	0	0	0	108.6	R53 R54 F63	R53-C89 VanDerWaalsContact CA-O 3.26Å; R53-C89 WeakPolarHBondContact CA-O 3.36Å; R54-C89 HydrophobicContact CB-CB 4.2Å; R54-C89 PolarHBondContact N-O 2.7Å; R54-C89 PolarHBondContact O-N 2.85Å; F63-C89 HydrophobicContact CD2-CB 4.41Å; F63-C89 HydrophobicContact CE2-CB 3.75Å
90	L	98.7	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	115.5	171	-171.1	154.4	0	0	0	110.2	I51 Y52 R53 L60 L61 F62 F63 V92 M124	I51-L90 HydrophobicContact CB-CD2 4.33Å; I51-L90 HydrophobicContact CD1-CD1 4.26Å; I51-L90 HydrophobicContact CG2-CD2 4.22Å; Y52-L90 WeakPolarHBondContact O-CA 3.07Å; R53-L90 HydrophobicContact CG-CD1 4.09Å; R53-L90 HydrophobicContact CG-CG 4.13Å; L60-L90 HydrophobicContact CD1-CB 3.76Å; L61-L90 PolarHBondContact O-N 3.38Å; F62-L90 CarbonylContact C-O 3.5Å; F62-L90 WeakPolarHBondContact CA-O 3.45Å; F62-L90 HydrophobicContact CD2-CD2 4.02Å; F62-L90 HydrophobicContact CE1-CD2 4.44Å; F62-L90 HydrophobicContact CE2-CD2 3.69Å; F62-L90 HydrophobicContact CZ-CD2 3.94Å; F63-L90 PolarHBondContact N-O 3.41Å; L90-V92 HydrophobicContact CD2-CG2 3.36Å; L90-M124 HydrophobicContact CD1-CE 3.27Å; L90-M124 HydrophobicContact CD1-SD 3.16Å; L90-M124 WeakPolarHBondContact CD1-SD 3.44Å; L90-M124 HydrophobicContact CD2-SD 4.49Å; L90-M124 HydrophobicContact CG-SD 4.4Å
91	A	98.9	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.3	177	0	0	0	0	0	110.4	F36 I51 Y52 F63 A71 W74	F36-A91 HydrophobicContact CE1-CB 4.31Å; F36-A91 HydrophobicContact CZ-CB 4.05Å; I51-A91 CarbonylContact C-O 3.54Å; I51-A91 WeakPolarHBondContact CA-O 3.43Å; Y52-A91 PolarHBondContact N-O 3.4Å; Y52-A91 PolarHBondContact O-N 2.87Å; F63-A91 HydrophobicContact CB-CB 4.08Å; F63-A91 HydrophobicContact CD2-CB 4.41Å; A71-A91 HydrophobicContact CB-CB 3.73Å; A71-A91 WeakPolarHBondContact O-CB 3.45Å; W74-A91 HydrophobicContact CB-CB 4.06Å; W74-A91 HydrophobicContact CG-CB 4.28Å
92	V	98.8	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.3	-177	179.6	0	0	0	0	110.3	I51 F62 F63 H65 L90 M94 I117 I120	I51-V92 HydrophobicContact CG2-CG2 4.03Å; F62-V92 HydrophobicContact CD1-CG2 4.44Å; F62-V92 HydrophobicContact CE1-CB 4.43Å; F62-V92 HydrophobicContact CE1-CG2 3.46Å; F62-V92 VanDerWaalsContact CE1-CG2 3.46Å; F62-V92 HydrophobicContact CE2-CG2 4.34Å; F62-V92 HydrophobicContact CZ-CG2 3.41Å; F62-V92 VanDerWaalsContact CZ-CG2 3.41Å; F63-V92 PolarHBondContact O-N 3.44Å; H65-V92 PolarHBondContact CD2-O 3.44Å; L90-V92 HydrophobicContact CD2-CG2 3.36Å; V92-M94 PolarHBondContact O-N 2.81Å; V92-I117 HydrophobicContact CG1-CD1 4.31Å; V92-I120 HydrophobicContact CG1-CD1 3.68Å; V92-I120 HydrophobicContact CG2-CG2 4.4Å
93	D	98.8	Very high	97.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.139	C	C	.	.			trans	-77.9	112.8	160.6	-75.2	-25.4	0	0	0	108.2	R50 S70 A71 G98 D99 T100	R50-D93 HydrophobicContact CB-CB 3.97Å; R50-D93 WeakPolarHBondContact CB-OD2 3.36Å; R50-D93 HydrophobicContact CG-CB 4.44Å; R50-D93 VanDerWaalsContact CG-OD2 3.24Å; R50-D93 WeakPolarHBondContact CG-OD2 3.08Å; R50-D93 PolarHBondContact O-N 3.35Å; S70-D93 VanDerWaalsContact CB-OD1 3.32Å; S70-D93 WeakPolarHBondContact CB-OD1 3.27Å; A71-D93 WeakPolarHBondContact CB-OD1 3.28Å; A71-D93 PolarHBondContact N-OD1 2.94Å; D93-G98 VanDerWaalsContact CG-CA 3.49Å; D93-G98 WeakPolarHBondContact OD2-CA 3.43Å; D93-D99 PolarHBondContact OD2-N 3.16Å; D93-T100 VanDerWaalsContact CB-OG1 3.27Å; D93-T100 WeakPolarHBondContact CB-OG1 3.43Å; D93-T100 WeakPolarHBondContact O-CB 3.27Å; D93-T100 PolarHBondContact O-OG1 2.7Å
94	M	98.7	Very high	97.7	Very high	3 Å²	3	26 Å²	26	2%	0.015	13%	0.133	C	C	.	.			trans	-72	164.2	177.9	-67.1	-173	-73.3	0	0	111.2	L64 H65 V92 G96 H97 I117 M139 V143	L64-M94 HydrophobicContact CB-SD 4.38Å; L64-M94 HydrophobicContact CD2-SD 4.48Å; H65-M94 PolarHBondContact NE2-N 3.21Å; H65-M94 WeakPolarHBondContact O-CE 3.43Å; V92-M94 PolarHBondContact O-N 2.81Å; M94-G96 PolarHBondContact O-N 2.95Å; M94-H97 WeakPolarHBondContact O-CA 3.23Å; M94-H97 WeakPolarHBondContact O-CB 3.46Å; M94-H97 PolarHBondContact O-N 2.81Å; M94-I117 HydrophobicContact CG-CD1 4.21Å; M94-M139 HydrophobicContact CE-CE 3.35Å; M94-M139 HydrophobicContact SD-CE 4.35Å; M94-V143 HydrophobicContact SD-CG2 4.38Å
95	R	98.2	Very high	97.7	Very high	14 Å²	14	25.5 Å²	25.5	5%	0.053	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	135.3	175.3	178.7	179.1	-62.9	-89.2	-5.7	112.1	F49 H97 C102 N104 D107 L108 L113 D116	F49-R95 HydrophobicContact CE1-CB 4.44Å; R95-H97 PolarHBondContact O-N 2.9Å; R95-H97 VanDerWaalsContact O-N 3.15Å; R95-H97 PolarHBondContact O-ND1 2.98Å; R95-C102 HydrophobicContact CG-CB 4.2Å; R95-N104 WeakPolarHBondContact CD-O 3.4Å; R95-N104 PolarHBondContact NH1-O 2.91Å; R95-D107 WeakPolarHBondContact CD-O 3.45Å; R95-L108 HydrophobicContact CB-CD2 4.04Å; R95-L108 HydrophobicContact CG-CD2 3.93Å; R95-L108 WeakPolarHBondContact O-CD2 3.01Å; R95-L113 HydrophobicContact CB-CD2 4.07Å; R95-D116 IonicContact CZ-OD1 3.89Å; R95-D116 IonicContact CZ-OD2 3.9Å; R95-D116 VanDerWaalsContact CZ-OD2 3.24Å; R95-D116 IonicContact NE-OD2 3.95Å; R95-D116 PolarHBondContact NE-OD2 2.94Å; R95-D116 VanDerWaalsContact NH2-CG 3.27Å; R95-D116 IonicContact NH2-OD1 3.28Å; R95-D116 PolarHBondContact NH2-OD1 3.35Å; R95-D116 IonicContact NH2-OD2 3.86Å; R95-D116 PolarHBondContact NH2-OD2 3.13Å
96	G	97.3	Very high	97.6	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-7.7	-177.3	0	0	0	0	0	116.4	M94 D105 R363	M94-G96 PolarHBondContact O-N 2.95Å; G96-D105 PolarHBondContact N-OD1 3Å; G96-R363 PolarHBondContact O-NE 3.38Å
97	H	98.4	Very high	97.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-113.5	166.5	-174.3	-63	78	0	0	0	113	H65 G68 F69 M94 R95 D99 T100	H65-H97 VanDerWaalsContact CE1-CB 3.41Å; H65-H97 WeakPolarHBondContact CE1-CB 3.36Å; H65-H97 AromaticContact CE1-CD2 3.57Å; H65-H97 AromaticContact CE1-CG 3.41Å; H65-H97 VanDerWaalsContact CE1-CG 3.41Å; G68-H97 PolarHBondContact N-CD2 3.37Å; G68-H97 VanDerWaalsContact N-CD2 3.34Å; G68-H97 PolarHBondContact N-NE2 3.49Å; F69-H97 PolarHBondContact O-CD2 2.8Å; F69-H97 VanDerWaalsContact O-CD2 3.32Å; M94-H97 WeakPolarHBondContact O-CA 3.23Å; M94-H97 WeakPolarHBondContact O-CB 3.46Å; M94-H97 PolarHBondContact O-N 2.81Å; R95-H97 PolarHBondContact O-N 2.9Å; R95-H97 VanDerWaalsContact O-N 3.15Å; R95-H97 PolarHBondContact O-ND1 2.98Å; H97-D99 PolarHBondContact O-N 3Å; H97-T100 PolarHBondContact O-N 2.94Å; H97-T100 VanDerWaalsContact O-N 3.16Å
98	G	98	Very high	97.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-119.8	175.5	0	0	0	0	0	112.6	D93 T225 R363	D93-G98 VanDerWaalsContact CG-CA 3.49Å; D93-G98 WeakPolarHBondContact OD2-CA 3.43Å; G98-T225 WeakPolarHBondContact O-CG2 3.35Å; G98-R363 VanDerWaalsContact O-CZ 3.25Å; G98-R363 PolarHBondContact O-NH1 3.09Å
99	D	97.6	Very high	97.5	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.032	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-1.7	175.9	-83.3	-50.9	0	0	0	114.9	R50 D93 H97 T225 T227 N228	R50-D99 HydrophobicContact CB-CB 3.98Å; R50-D99 HydrophobicContact CG-CB 4.07Å; R50-D99 VanDerWaalsContact CZ-CB 3.49Å; R50-D99 IonicContact CZ-OD2 3.79Å; R50-D99 IonicContact NH1-OD2 2.64Å; R50-D99 PolarHBondContact NH1-OD2 3.28Å; D93-D99 PolarHBondContact OD2-N 3.16Å; H97-D99 PolarHBondContact O-N 3Å; D99-T225 VanDerWaalsContact OD1-CB 3.22Å; D99-T225 WeakPolarHBondContact OD1-CB 3.35Å; D99-T225 VanDerWaalsContact OD1-CG2 3.24Å; D99-T225 WeakPolarHBondContact OD1-CG2 3.41Å; D99-T225 PolarHBondContact OD1-OG1 2.92Å; D99-T227 VanDerWaalsContact CG-OG1 3.24Å; D99-T227 PolarHBondContact OD1-OG1 3.06Å; D99-T227 WeakPolarHBondContact OD2-CB 3.45Å; D99-T227 PolarHBondContact OD2-OG1 3.22Å; D99-N228 PolarHBondContact OD1-ND2 2.76Å
100	T	98.5	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.			trans	-60	141.4	175.9	-74.2	0	0	0	0	111	T48 F49 R50 D93 H97 R363	T48-T100 WeakPolarHBondContact O-CA 3.46Å; F49-T100 WeakPolarHBondContact CA-OG1 3.44Å; F49-T100 HydrophobicContact CD1-CG2 3.55Å; F49-T100 HydrophobicContact CE1-CG2 3.85Å; F49-T100 HydrophobicContact CG-CG2 4.1Å; R50-T100 PolarHBondContact N-OG1 3.21Å; D93-T100 VanDerWaalsContact CB-OG1 3.27Å; D93-T100 WeakPolarHBondContact CB-OG1 3.43Å; D93-T100 WeakPolarHBondContact O-CB 3.27Å; D93-T100 PolarHBondContact O-OG1 2.7Å; H97-T100 PolarHBondContact O-N 2.94Å; H97-T100 VanDerWaalsContact O-N 3.16Å; T100-R363 PolarHBondContact O-NH2 2.97Å
101	K	97.1	Very high	97.5	Very high	118 Å²	118	31.9 Å²	31.9	51%	0.513	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.4	177.1	-66.6	-179.4	-176.6	174.5	0	109.3	G47 T48	G47-K101 CarbonylContact C-O 3.58Å; G47-K101 VanDerWaalsContact CA-O 3.25Å; G47-K101 WeakPolarHBondContact CA-O 3.39Å; T48-K101 PolarHBondContact N-O 2.87Å; T48-K101 PolarHBondContact O-N 3.25Å
102	C	97.4	Very high	97.4	Very high	19 Å²	19	33 Å²	33	13%	0.128	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	162.1	176.9	-56.7	0	0	0	0	112.2	G46 F49 R95 N104 D105	G46-C102 WeakPolarHBondContact O-CA 3.31Å; G46-C102 VanDerWaalsContact O-CB 3.31Å; G46-C102 WeakPolarHBondContact O-CB 3.44Å; F49-C102 VanDerWaalsContact CZ-SG 3.53Å; R95-C102 HydrophobicContact CG-CB 4.2Å; C102-N104 PolarHBondContact O-N 2.92Å; C102-D105 VanDerWaalsContact CB-OD1 3.27Å; C102-D105 WeakPolarHBondContact CB-OD1 3.4Å; C102-D105 PolarHBondContact N-OD1 3.34Å; C102-D105 VanDerWaalsContact N-OD1 3.1Å
103	T	95.4	Very high	97.4	Very high	122 Å²	122	33 Å²	33	75%	0.748	18%	0.18	S	C	*	.	S	Bend	trans	-63.2	-30.9	175	52.8	0	0	0	0	112.3	G46	G46-T103 PolarHBondContact O-N 2.98Å; G46-T103 PolarHBondContact O-OG1 3.27Å
104	N	95.7	Very high	97.4	Very high	74 Å²	74	33 Å²	33	40%	0.396	18%	0.179	S	C	.	.			trans	-135.1	94.9	172.6	179.9	8.5	0	0	0	109.6	R95 C102 D106 D107	R95-N104 WeakPolarHBondContact CD-O 3.4Å; R95-N104 PolarHBondContact NH1-O 2.91Å; C102-N104 PolarHBondContact O-N 2.92Å; N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 PolarHBondContact O-N 3Å; N104-D106 PolarHBondContact OD1-N 3.28Å; N104-D107 WeakPolarHBondContact ND2-CB 3.37Å; N104-D107 PolarHBondContact OD1-N 3.03Å
105	D	95.1	Very high	97.3	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	-76.9	-9.4	176.4	-83.2	-21.6	0	0	0	113.2	G96 C102	G96-D105 PolarHBondContact N-OD1 3Å; C102-D105 VanDerWaalsContact CB-OD1 3.27Å; C102-D105 WeakPolarHBondContact CB-OD1 3.4Å; C102-D105 PolarHBondContact N-OD1 3.34Å; C102-D105 VanDerWaalsContact N-OD1 3.1Å
106	D	94.8	Very high	97.3	Very high	120 Å²	120	37.5 Å²	37.5	64%	0.642	20%	0.2	S	C	*	.	S	Bend	trans	-88.2	-20.9	-175.4	-66.5	-39	0	0	0	113.4	N104 L108 F372	N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 PolarHBondContact O-N 3Å; N104-D106 PolarHBondContact OD1-N 3.28Å; D106-L108 PolarHBondContact O-N 3.38Å; D106-F372 VanDerWaalsContact O-CE2 3.3Å; D106-F372 WeakPolarHBondContact O-CE2 3.36Å
107	D	97.1	Very high	97.4	Very high	46 Å²	46	37.3 Å²	37.3	25%	0.246	20%	0.197	C	C	.	.			trans	-82	94.8	172.9	177.4	16.8	0	0	0	110.9	R95 N104 S109 T112	R95-D107 WeakPolarHBondContact CD-O 3.45Å; N104-D107 WeakPolarHBondContact ND2-CB 3.37Å; N104-D107 PolarHBondContact OD1-N 3.03Å; D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.41Å; D107-S109 PolarHBondContact OD1-N 3.12Å; D107-S109 VanDerWaalsContact OD1-N 3.1Å; D107-S109 PolarHBondContact OD1-OG 2.92Å; D107-T112 WeakPolarHBondContact OD2-CB 3.36Å; D107-T112 PolarHBondContact OD2-OG1 3.35Å
108	L	97.6	Very high	97.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.202	C	C	.	.			trans	-110.1	30.5	176	-62.2	168.6	0	0	0	111.4	R95 D106 L113 I364 T369 F372 W376	R95-L108 HydrophobicContact CB-CD2 4.04Å; R95-L108 HydrophobicContact CG-CD2 3.93Å; R95-L108 WeakPolarHBondContact O-CD2 3.01Å; D106-L108 PolarHBondContact O-N 3.38Å; L108-L113 HydrophobicContact CB-CD1 4.44Å; L108-L113 HydrophobicContact CD2-CD2 3.84Å; L108-L113 WeakPolarHBondContact O-CD1 3.45Å; L108-I364 HydrophobicContact CD1-CD1 3.89Å; L108-T369 HydrophobicContact CD1-CG2 3.33Å; L108-F372 HydrophobicContact CB-CD2 3.95Å; L108-F372 HydrophobicContact CB-CE2 4.18Å; L108-W376 HydrophobicContact CB-CZ2 4.18Å; L108-W376 PolarHBondContact O-NE1 3.45Å
109	S	97.8	Very high	97.4	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.112	22%	0.221	C	C	.	.			trans	-59.4	152	170.9	62.5	0	0	0	0	111.1	D107 D111 T112 L113	D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.41Å; D107-S109 PolarHBondContact OD1-N 3.12Å; D107-S109 VanDerWaalsContact OD1-N 3.1Å; D107-S109 PolarHBondContact OD1-OG 2.92Å; S109-D111 PolarHBondContact O-N 3Å; S109-T112 PolarHBondContact O-N 3.01Å; S109-T112 WeakPolarHBondContact OG-CB 3.35Å; S109-T112 PolarHBondContact OG-N 2.96Å; S109-T112 PolarHBondContact OG-OG1 2.75Å; S109-L113 WeakPolarHBondContact O-CG 3.37Å; S109-L113 PolarHBondContact O-N 3.42Å
110	I	97.9	Very high	97.4	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-32.6	-178.4	-163.5	57.5	0	0	0	111.5	S114 A142 V143 H146 E375	I110-S114 VanDerWaalsContact O-CB 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 2.91Å; I110-S114 PolarHBondContact O-OG 3.22Å; I110-A142 HydrophobicContact CD1-CB 4.21Å; I110-V143 HydrophobicContact CD1-CB 4.43Å; I110-V143 HydrophobicContact CD1-CG2 3.81Å; I110-H146 HydrophobicContact CD1-CB 4.42Å; I110-H146 HydrophobicContact CG1-CB 3.98Å; I110-H146 VanDerWaalsContact CG1-CG 3.43Å; I110-E375 HydrophobicContact CB-CG 4.47Å; I110-E375 HydrophobicContact CG2-CG 3.84Å; I110-E375 WeakPolarHBondContact CG2-OE1 3.47Å
111	D	97.5	Very high	97.4	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-68.3	-47.4	179	-176.8	54	0	0	0	111.9	S109 S114 K115 K150	S109-D111 PolarHBondContact O-N 3Å; D111-S114 PolarHBondContact O-N 3.46Å; D111-K115 WeakPolarHBondContact O-CB 3.48Å; D111-K115 VanDerWaalsContact O-CG 3.3Å; D111-K115 WeakPolarHBondContact O-CG 3.14Å; D111-K115 PolarHBondContact O-N 3.27Å; D111-K115 IonicContact OD1-NZ 2.76Å; D111-K115 WeakPolarHBondContact OD2-CE 3.4Å; D111-K115 IonicContact OD2-NZ 3.76Å; D111-K115 PolarHBondContact OD2-NZ 3.3Å; D111-K150 IonicContact OD1-NZ 3.93Å; D111-K150 PolarHBondContact OD1-NZ 3.35Å
112	T	97.9	Very high	97.4	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.135	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-49.8	177	-68.5	0	0	0	0	111.1	D107 S109 S114 K115 D116	D107-T112 WeakPolarHBondContact OD2-CB 3.36Å; D107-T112 PolarHBondContact OD2-OG1 3.35Å; S109-T112 PolarHBondContact O-N 3.01Å; S109-T112 WeakPolarHBondContact OG-CB 3.35Å; S109-T112 PolarHBondContact OG-N 2.96Å; S109-T112 PolarHBondContact OG-OG1 2.75Å; T112-S114 VanDerWaalsContact C-N 3.32Å; T112-S114 PolarHBondContact O-N 3.01Å; T112-K115 PolarHBondContact O-N 3.1Å; T112-K115 VanDerWaalsContact O-N 3.16Å; T112-D116 PolarHBondContact O-N 3.48Å
113	L	98.3	Very high	97.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-43.7	177.2	-68.9	175.2	0	0	0	111.9	R95 L108 S109 D116 I117 M139 V143	R95-L113 HydrophobicContact CB-CD2 4.07Å; L108-L113 HydrophobicContact CB-CD1 4.44Å; L108-L113 HydrophobicContact CD2-CD2 3.84Å; L108-L113 WeakPolarHBondContact O-CD1 3.45Å; S109-L113 WeakPolarHBondContact O-CG 3.37Å; S109-L113 PolarHBondContact O-N 3.42Å; L113-D116 PolarHBondContact O-N 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3.08Å; L113-M139 HydrophobicContact CD1-CG 4.49Å; L113-M139 HydrophobicContact CD1-SD 4.28Å; L113-V143 HydrophobicContact CB-CG1 4.35Å; L113-V143 HydrophobicContact CB-CG2 3.76Å; L113-V143 HydrophobicContact CD1-CG2 3.95Å; L113-V143 HydrophobicContact CG-CG2 4.49Å
114	S	98.3	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-39.6	177.9	-59.2	0	0	0	0	112.4	I110 D111 T112 D116 I117 I118 H146	I110-S114 VanDerWaalsContact O-CB 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 2.91Å; I110-S114 PolarHBondContact O-OG 3.22Å; D111-S114 PolarHBondContact O-N 3.46Å; T112-S114 VanDerWaalsContact C-N 3.32Å; T112-S114 PolarHBondContact O-N 3.01Å; S114-D116 VanDerWaalsContact C-N 3.35Å; S114-I117 PolarHBondContact O-N 3.15Å; S114-I118 WeakPolarHBondContact O-CD1 3.46Å; S114-I118 VanDerWaalsContact O-CG1 3.31Å; S114-I118 WeakPolarHBondContact O-CG1 3.43Å; S114-I118 PolarHBondContact O-N 3.1Å; S114-I118 VanDerWaalsContact O-N 3.11Å; S114-H146 WeakPolarHBondContact OG-CB 3.41Å
115	K	97.9	Very high	97.4	Very high	101 Å²	101	37 Å²	37	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-63.5	-41.2	176.5	-79.6	169.3	174.2	167.8	0	111.4	D111 T112 I118 K119	D111-K115 WeakPolarHBondContact O-CB 3.48Å; D111-K115 VanDerWaalsContact O-CG 3.3Å; D111-K115 WeakPolarHBondContact O-CG 3.14Å; D111-K115 PolarHBondContact O-N 3.27Å; D111-K115 IonicContact OD1-NZ 2.76Å; D111-K115 WeakPolarHBondContact OD2-CE 3.4Å; D111-K115 IonicContact OD2-NZ 3.76Å; D111-K115 PolarHBondContact OD2-NZ 3.3Å; T112-K115 PolarHBondContact O-N 3.1Å; T112-K115 VanDerWaalsContact O-N 3.16Å; K115-I118 PolarHBondContact O-N 3.3Å; K115-K119 WeakPolarHBondContact O-CB 3.33Å; K115-K119 WeakPolarHBondContact O-CG 3.23Å; K115-K119 PolarHBondContact O-N 3.3Å
116	D	98.3	Very high	97.3	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-49.7	176.5	-69.9	-23.6	0	0	0	110.8	F49 R95 T112 L113 S114 I118 K119 I120	F49-D116 HydrophobicContact CE1-CB 3.88Å; F49-D116 HydrophobicContact CZ-CB 3.79Å; F49-D116 VanDerWaalsContact CZ-CG 3.45Å; R95-D116 IonicContact CZ-OD1 3.89Å; R95-D116 IonicContact CZ-OD2 3.9Å; R95-D116 VanDerWaalsContact CZ-OD2 3.24Å; R95-D116 IonicContact NE-OD2 3.95Å; R95-D116 PolarHBondContact NE-OD2 2.94Å; R95-D116 VanDerWaalsContact NH2-CG 3.27Å; R95-D116 IonicContact NH2-OD1 3.28Å; R95-D116 PolarHBondContact NH2-OD1 3.35Å; R95-D116 IonicContact NH2-OD2 3.86Å; R95-D116 PolarHBondContact NH2-OD2 3.13Å; T112-D116 PolarHBondContact O-N 3.48Å; L113-D116 PolarHBondContact O-N 3.31Å; S114-D116 VanDerWaalsContact C-N 3.35Å; D116-I118 PolarHBondContact O-N 3.07Å; D116-K119 PolarHBondContact O-N 3.17Å; D116-I120 VanDerWaalsContact O-CG1 3.27Å; D116-I120 WeakPolarHBondContact O-CG1 3.47Å; D116-I120 PolarHBondContact O-N 3.03Å
117	I	98.5	Very high	97.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-43.9	178.7	-61.6	-46.3	0	0	0	112.1	F62 L64 V92 M94 L113 S114 K119 I120 I121 V143 V147	F62-I117 HydrophobicContact CD1-CG2 4.5Å; F62-I117 HydrophobicContact CE1-CD1 4.42Å; F62-I117 HydrophobicContact CE1-CG2 3.85Å; F62-I117 HydrophobicContact CZ-CG2 4.27Å; L64-I117 HydrophobicContact CD1-CG1 4.22Å; L64-I117 HydrophobicContact CD1-CG2 4.47Å; L64-I117 HydrophobicContact CD2-CD1 3.49Å; L64-I117 VanDerWaalsContact CD2-CD1 3.49Å; L64-I117 HydrophobicContact CD2-CG1 3.89Å; L64-I117 HydrophobicContact CD2-CG2 4.32Å; V92-I117 HydrophobicContact CG1-CD1 4.31Å; M94-I117 HydrophobicContact CG-CD1 4.21Å; L113-I117 WeakPolarHBondContact O-CG1 3.35Å; L113-I117 PolarHBondContact O-N 3.08Å; S114-I117 PolarHBondContact O-N 3.15Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.42Å; I117-I120 HydrophobicContact CD1-CD1 4.29Å; I117-I120 PolarHBondContact O-N 3.22Å; I117-I121 HydrophobicContact CG2-CD1 3.95Å; I117-I121 WeakPolarHBondContact O-CG1 3.15Å; I117-I121 PolarHBondContact O-N 3.45Å; I117-V143 HydrophobicContact CG1-CG1 3.78Å; I117-V147 HydrophobicContact CB-CG2 3.98Å; I117-V147 HydrophobicContact CG2-CG1 4.39Å; I117-V147 HydrophobicContact CG2-CG2 4.08Å
118	I	98.1	Very high	96.9	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.097	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-44.7	177.2	-68.7	162.4	0	0	0	110.8	S114 K115 D116 I121 F122 V147 K150 T152 I153	S114-I118 WeakPolarHBondContact O-CD1 3.46Å; S114-I118 VanDerWaalsContact O-CG1 3.31Å; S114-I118 WeakPolarHBondContact O-CG1 3.43Å; S114-I118 PolarHBondContact O-N 3.1Å; S114-I118 VanDerWaalsContact O-N 3.11Å; K115-I118 PolarHBondContact O-N 3.3Å; D116-I118 PolarHBondContact O-N 3.07Å; I118-I121 PolarHBondContact O-N 3.06Å; I118-F122 HydrophobicContact CG2-CD2 3.65Å; I118-F122 HydrophobicContact CG2-CE2 3.49Å; I118-F122 VanDerWaalsContact CG2-CE2 3.49Å; I118-F122 VanDerWaalsContact O-CD2 3.28Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.17Å; I118-V147 HydrophobicContact CG1-CG1 3.96Å; I118-V147 HydrophobicContact CG1-CG2 4.4Å; I118-K150 HydrophobicContact CD1-CB 4.4Å; I118-K150 HydrophobicContact CD1-CD 3.72Å; I118-T152 VanDerWaalsContact CD1-OG1 3.3Å; I118-T152 WeakPolarHBondContact CD1-OG1 3.24Å; I118-I153 HydrophobicContact CG1-CD1 4.5Å
119	K	97.9	Very high	96.8	Very high	95 Å²	95	49.5 Å²	49.5	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-40.8	177.8	-74.1	-179.8	176.9	-171.9	0	112.2	L44 K115 D116 I117 F122 A123	L44-K119 HydrophobicContact CD1-CB 3.65Å; L44-K119 HydrophobicContact CD2-CB 4.26Å; K115-K119 WeakPolarHBondContact O-CB 3.33Å; K115-K119 WeakPolarHBondContact O-CG 3.23Å; K115-K119 PolarHBondContact O-N 3.3Å; D116-K119 PolarHBondContact O-N 3.17Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.42Å; K119-F122 PolarHBondContact O-N 3.23Å; K119-A123 WeakPolarHBondContact O-CB 3.38Å; K119-A123 PolarHBondContact O-N 3.38Å
120	I	98.2	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-47.9	175.9	-67.2	166.5	0	0	0	110.2	L44 F49 F62 V92 D116 I117 F122 A123 M124	L44-I120 HydrophobicContact CD1-CG1 3.8Å; F49-I120 HydrophobicContact CB-CD1 3.79Å; F49-I120 HydrophobicContact CB-CG1 4.21Å; F49-I120 HydrophobicContact CD1-CD1 3.62Å; F49-I120 HydrophobicContact CD2-CD1 4.36Å; F49-I120 HydrophobicContact CD2-CG1 4.44Å; F49-I120 HydrophobicContact CE1-CD1 4.27Å; F49-I120 HydrophobicContact CG-CD1 3.66Å; F49-I120 HydrophobicContact CG-CG1 4.15Å; F62-I120 HydrophobicContact CE2-CG2 4.4Å; F62-I120 HydrophobicContact CZ-CG2 3.97Å; V92-I120 HydrophobicContact CG1-CD1 3.68Å; V92-I120 HydrophobicContact CG2-CG2 4.4Å; D116-I120 VanDerWaalsContact O-CG1 3.27Å; D116-I120 WeakPolarHBondContact O-CG1 3.47Å; D116-I120 PolarHBondContact O-N 3.03Å; I117-I120 HydrophobicContact CD1-CD1 4.29Å; I117-I120 PolarHBondContact O-N 3.22Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 3.37Å; I120-A123 PolarHBondContact O-N 2.86Å; I120-M124 HydrophobicContact CG2-CG 4.5Å; I120-M124 HydrophobicContact CG2-SD 4.33Å; I120-M124 WeakPolarHBondContact O-CB 3.49Å; I120-M124 VanDerWaalsContact O-CG 3.3Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.5Å
121	I	97.9	Very high	96.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-45.7	179	-71	169.7	0	0	0	111	F62 I117 I118 M124 Y125 I132 L134 I153	F62-I121 HydrophobicContact CD2-CD1 4.14Å; F62-I121 HydrophobicContact CD2-CG1 3.81Å; F62-I121 HydrophobicContact CE2-CD1 4.02Å; F62-I121 HydrophobicContact CE2-CG1 3.32Å; F62-I121 HydrophobicContact CG-CD1 4.47Å; F62-I121 HydrophobicContact CZ-CD1 4.22Å; F62-I121 HydrophobicContact CZ-CG1 3.72Å; I117-I121 HydrophobicContact CG2-CD1 3.95Å; I117-I121 WeakPolarHBondContact O-CG1 3.15Å; I117-I121 PolarHBondContact O-N 3.45Å; I118-I121 PolarHBondContact O-N 3.06Å; I121-M124 PolarHBondContact O-N 3.36Å; I121-Y125 PolarHBondContact O-N 3.21Å; I121-I132 HydrophobicContact CG2-CD1 3.71Å; I121-L134 HydrophobicContact CD1-CD2 4.28Å; I121-I153 HydrophobicContact CD1-CD1 3.46Å; I121-I153 VanDerWaalsContact CD1-CD1 3.46Å; I121-I153 HydrophobicContact CD1-CG1 4.32Å; I121-I153 HydrophobicContact CG2-CG1 4.46Å; I121-I153 HydrophobicContact CG2-CG2 4.3Å
122	F	97.3	Very high	96.8	Very high	97 Å²	97	49.9 Å²	49.9	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-35.4	178.4	-76.2	-51.8	0	0	0	114.1	I118 K119 I120 M124 Y125 P126 T152	I118-F122 HydrophobicContact CG2-CD2 3.65Å; I118-F122 HydrophobicContact CG2-CE2 3.49Å; I118-F122 VanDerWaalsContact CG2-CE2 3.49Å; I118-F122 VanDerWaalsContact O-CD2 3.28Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.17Å; K119-F122 PolarHBondContact O-N 3.23Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 3.37Å; F122-M124 VanDerWaalsContact C-N 3.28Å; F122-M124 PolarHBondContact O-N 3.12Å; F122-Y125 CarbonylContact O-C 3.55Å; F122-P126 WeakPolarHBondContact O-CA 3.37Å; F122-T152 VanDerWaalsContact CZ-O 3.28Å; F122-T152 WeakPolarHBondContact CZ-O 3.28Å
123	A	97.5	Very high	96.8	Very high	51 Å²	51	48.9 Å²	48.9	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-35.7	175.6	0	0	0	0	0	111.7	I42 L44 K119 I120	I42-A123 HydrophobicContact CG2-CB 3.84Å; L44-A123 HydrophobicContact CD2-CB 3.92Å; K119-A123 WeakPolarHBondContact O-CB 3.38Å; K119-A123 PolarHBondContact O-N 3.38Å; I120-A123 PolarHBondContact O-N 2.86Å
124	M	96	Very high	96.8	Very high	34 Å²	34	48.8 Å²	48.8	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-78.1	-34.5	178.8	-73.2	-161.2	75.9	0	0	114.2	I42 I51 L90 I120 I121 F122 P126	I42-M124 HydrophobicContact CD1-CG 3.83Å; I42-M124 HydrophobicContact CD1-SD 4.4Å; I42-M124 HydrophobicContact CG1-CG 4.26Å; I51-M124 HydrophobicContact CD1-CE 3.56Å; I51-M124 HydrophobicContact CD1-SD 3.71Å; L90-M124 HydrophobicContact CD1-CE 3.27Å; L90-M124 HydrophobicContact CD1-SD 3.16Å; L90-M124 WeakPolarHBondContact CD1-SD 3.44Å; L90-M124 HydrophobicContact CD2-SD 4.49Å; L90-M124 HydrophobicContact CG-SD 4.4Å; I120-M124 HydrophobicContact CG2-CG 4.5Å; I120-M124 HydrophobicContact CG2-SD 4.33Å; I120-M124 WeakPolarHBondContact O-CB 3.49Å; I120-M124 VanDerWaalsContact O-CG 3.3Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.5Å; I121-M124 PolarHBondContact O-N 3.36Å; F122-M124 VanDerWaalsContact C-N 3.28Å; F122-M124 PolarHBondContact O-N 3.12Å; M124-P126 VanDerWaalsContact C-CD 3.49Å
125	Y	96	Very high	96.9	Very high	34 Å²	34	48.8 Å²	48.8	13%	0.133	26%	0.255	C	S	.	.			trans	-129.7	70.6	-176.6	-59.7	-81.5	0	0	0	110.3	L60 I121 F122 M127 A129 P130	L60-Y125 HydrophobicContact CD2-CE2 3.55Å; I121-Y125 PolarHBondContact O-N 3.21Å; F122-Y125 CarbonylContact O-C 3.55Å; Y125-M127 PolarHBondContact O-N 2.97Å; Y125-A129 HydrophobicContact CD1-CB 4.15Å; Y125-A129 HydrophobicContact CD2-CB 4.17Å; Y125-A129 HydrophobicContact CG-CB 3.72Å; Y125-P130 VanDerWaalsContact CE1-CD 3.47Å; Y125-P130 HydrophobicContact CE1-CG 4.24Å
126	P	93.6	Very high	96.9	Very high	108 Å²	108	44 Å²	44	70%	0.701	23%	0.234	S	C	*	.	S	Bend	trans	-69.2	-19.5	-175.4	26.9	-35.8	0	0	0	114	F122 M124	F122-P126 WeakPolarHBondContact O-CA 3.37Å; M124-P126 VanDerWaalsContact C-CD 3.49Å
127	M	91.5	Very high	96.9	Very high	184 Å²	184	43.5 Å²	43.5	91%	0.906	23%	0.231	S	C	*	.	S	Bend	trans	-107.6	-69.2	-177.9	-70.5	-74.5	-66.5	0	0	111.3	Y125	Y125-M127 PolarHBondContact O-N 2.97Å
128	E	90.3	Very high	96.8	Very high	174 Å²	174	44.3 Å²	44.3	81%	0.813	24%	0.238	S	C	*	.			trans	-142.5	126.5	-178.1	-172.9	174.1	-170	0	0	109
129	A	95.1	Very high	96.7	Very high	18 Å²	18	43.5 Å²	43.5	15%	0.149	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-95	145.2	172.5	0	0	0	0	0	109.7	Y125 I132 S155	Y125-A129 HydrophobicContact CD1-CB 4.15Å; Y125-A129 HydrophobicContact CD2-CB 4.17Å; Y125-A129 HydrophobicContact CG-CB 3.72Å; A129-I132 HydrophobicContact CB-CD1 3.98Å; A129-I132 HydrophobicContact CB-CG1 4.36Å; A129-S155 WeakPolarHBondContact CB-OG 3.27Å
130	P	97	Very high	96.8	Very high	28 Å²	28	39 Å²	39	18%	0.182	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-60.3	167.5	165.8	31.2	-37.1	0	0	0	110.1	L60 Y125 I132	L60-P130 HydrophobicContact CB-CG 3.93Å; Y125-P130 VanDerWaalsContact CE1-CD 3.47Å; Y125-P130 HydrophobicContact CE1-CG 4.24Å; P130-I132 VanDerWaalsContact O-CG1 3.28Å; P130-I132 WeakPolarHBondContact O-CG1 3.41Å; P130-I132 PolarHBondContact O-N 2.86Å; P130-I132 VanDerWaalsContact O-N 3.12Å
131	P	98.1	Very high	96.8	Very high	63 Å²	63	39 Å²	39	41%	0.409	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-52	122	172.2	-25.6	34.5	0	0	0	111	P59 L60 A157	P59-P131 CarbonylContact C-O 3.57Å; P59-P131 WeakPolarHBondContact CA-O 3.48Å; P59-P131 HydrophobicContact CB-CB 4.23Å; P59-P131 WeakPolarHBondContact CB-O 3.29Å; L60-P131 PolarHBondContact N-O 3.04Å; P131-A157 HydrophobicContact CB-CB 3.84Å
132	I	98.6	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.3	-176.6	-58.2	-175.6	0	0	0	109.6	L60 F62 I121 A129 P130 L134 I153 S155 A157 G158	L60-I132 HydrophobicContact CB-CG1 4.41Å; L60-I132 HydrophobicContact CD2-CD1 4.38Å; L60-I132 HydrophobicContact CD2-CG1 4.25Å; L60-I132 WeakPolarHBondContact O-CA 3.37Å; F62-I132 HydrophobicContact CB-CG2 3.97Å; I121-I132 HydrophobicContact CG2-CD1 3.71Å; A129-I132 HydrophobicContact CB-CD1 3.98Å; A129-I132 HydrophobicContact CB-CG1 4.36Å; P130-I132 VanDerWaalsContact O-CG1 3.28Å; P130-I132 WeakPolarHBondContact O-CG1 3.41Å; P130-I132 PolarHBondContact O-N 2.86Å; P130-I132 VanDerWaalsContact O-N 3.12Å; I132-L134 HydrophobicContact CG2-CD2 4.37Å; I132-L134 HydrophobicContact CG2-CG 4.47Å; I132-I153 HydrophobicContact CD1-CG2 4.01Å; I132-S155 WeakPolarHBondContact CD1-OG 3.39Å; I132-S155 WeakPolarHBondContact CG1-OG 3.28Å; I132-S155 PolarHBondContact N-O 2.82Å; I132-A157 PolarHBondContact O-N 3Å; I132-G158 PolarHBondContact O-N 3.38Å
133	I	98.8	Very high	96.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.4	166.5	-60.3	79.4	0	0	0	106.8	P59 L60 L61 F62 V135 G158 V160 F441 L442 F447	P59-I133 HydrophobicContact CB-CD1 3.53Å; P59-I133 HydrophobicContact CG-CD1 4.25Å; L60-I133 PolarHBondContact O-N 3.2Å; L61-I133 HydrophobicContact CD2-CB 3.78Å; L61-I133 HydrophobicContact CD2-CD1 4.35Å; L61-I133 HydrophobicContact CD2-CG1 4.32Å; L61-I133 HydrophobicContact CD2-CG2 4.16Å; F62-I133 PolarHBondContact N-O 3.07Å; I133-V135 HydrophobicContact CG2-CG2 4.04Å; I133-G158 WeakPolarHBondContact CA-O 3.29Å; I133-V160 HydrophobicContact CG2-CG2 3.89Å; I133-F441 HydrophobicContact CG2-CE1 4.47Å; I133-L442 HydrophobicContact CD1-CD2 3.82Å; I133-L442 HydrophobicContact CG1-CD2 3.84Å; I133-F447 HydrophobicContact CD1-CD2 4.25Å; I133-F447 HydrophobicContact CG1-CD2 4.17Å; I133-F447 HydrophobicContact CG1-CE2 4.35Å
134	L	98.8	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.9	172.3	-69.2	172	0	0	0	108.8	F62 I121 I132 A144 V147 A148 L156 G158 L159 V160	F62-L134 HydrophobicContact CB-CD2 4.11Å; F62-L134 HydrophobicContact CD1-CD2 4.12Å; F62-L134 HydrophobicContact CG-CD2 4.26Å; I121-L134 HydrophobicContact CD1-CD2 4.28Å; I132-L134 HydrophobicContact CG2-CD2 4.37Å; I132-L134 HydrophobicContact CG2-CG 4.47Å; L134-A144 HydrophobicContact CB-CB 4.16Å; L134-V147 HydrophobicContact CD1-CB 4.17Å; L134-V147 HydrophobicContact CD1-CG1 3.75Å; L134-A148 HydrophobicContact CD1-CB 4.32Å; L134-L156 HydrophobicContact CB-CD1 4.36Å; L134-L156 HydrophobicContact CD1-CD1 3.65Å; L134-L156 HydrophobicContact CG-CD1 3.67Å; L134-G158 PolarHBondContact N-O 2.86Å; L134-G158 VanDerWaalsContact N-O 3.08Å; L134-L159 HydrophobicContact CB-CD1 3.89Å; L134-L159 CarbonylContact O-C 3.41Å; L134-L159 WeakPolarHBondContact O-CA 3.33Å; L134-V160 PolarHBondContact O-N 3.27Å
135	V	98.9	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.4	177.9	-177.5	0	0	0	0	108.3	L61 F62 F63 L64 W74 I133 V160 I162	L61-V135 HydrophobicContact CD2-CG2 4.43Å; F62-V135 PolarHBondContact O-N 3.08Å; F63-V135 CarbonylContact C-O 3.26Å; F63-V135 WeakPolarHBondContact CA-O 3.5Å; F63-V135 HydrophobicContact CD1-CB 3.56Å; F63-V135 HydrophobicContact CD1-CG1 3.72Å; F63-V135 HydrophobicContact CD1-CG2 4.15Å; F63-V135 HydrophobicContact CE1-CB 3.84Å; F63-V135 HydrophobicContact CE1-CG1 3.84Å; F63-V135 HydrophobicContact CE1-CG2 3.97Å; L64-V135 PolarHBondContact N-O 2.77Å; W74-V135 HydrophobicContact CH2-CG1 4.01Å; W74-V135 HydrophobicContact CZ3-CG1 4.04Å; I133-V135 HydrophobicContact CG2-CG2 4.04Å; V135-V160 WeakPolarHBondContact CA-O 3.5Å; V135-V160 HydrophobicContact CB-CB 4.28Å; V135-V160 HydrophobicContact CG1-CB 4.06Å; V135-V160 HydrophobicContact CG1-CG1 4.26Å; V135-V160 HydrophobicContact CG2-CB 3.99Å; V135-V160 HydrophobicContact CG2-CG2 4.03Å; V135-I162 HydrophobicContact CG1-CD1 4.17Å
136	G	98.8	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.6	-174.4	0	0	0	0	0	113.3	L64 G140 G141 V160 I162	L64-G136 WeakPolarHBondContact O-CA 3.03Å; G136-G140 WeakPolarHBondContact CA-O 3.39Å; G136-G141 VanDerWaalsContact C-CA 3.46Å; G136-G141 VanDerWaalsContact C-N 3.32Å; G136-G141 WeakPolarHBondContact O-CA 3.34Å; G136-V160 PolarHBondContact N-O 3.32Å; G136-I162 PolarHBondContact O-N 3.25Å
137	H	98.2	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135	172.9	169.2	-116	0	0	0	111	L64 H65 G66 W74 M139 G140 G141 I162 H424 Q427	L64-H137 PolarHBondContact O-N 3.11Å; H65-H137 CarbonylContact C-O 3.59Å; G66-H137 VanDerWaalsContact CA-O 3.27Å; G66-H137 WeakPolarHBondContact CA-O 3.09Å; G66-H137 PolarHBondContact N-O 3.15Å; W74-H137 HydrophobicContact CH2-CB 3.86Å; W74-H137 HydrophobicContact CZ2-CB 3.82Å; H137-M139 PolarHBondContact O-N 3.35Å; H137-G140 WeakPolarHBondContact O-CA 3.39Å; H137-G140 PolarHBondContact O-N 3.27Å; H137-G141 PolarHBondContact O-N 3.09Å; H137-I162 HydrophobicContact CB-CB 4.27Å; H137-I162 PolarHBondContact CD2-O 3.36Å; H137-H424 AromaticContact CE1-CD2 3.6Å; H137-H424 AromaticContact CE1-NE2 3.69Å; H137-H424 AromaticContact NE2-CD2 3.59Å; H137-H424 AromaticContact NE2-NE2 3.6Å; H137-H424 PolarHBondContact NE2-O 3.3Å; H137-Q427 PolarHBondContact CD2-OE1 2.78Å; H137-Q427 PolarHBondContact ND1-NE2 3.25Å; H137-Q427 VanDerWaalsContact ND1-NE2 3.16Å
138	S	95.8	Very high	97.7	Very high	21 Å²	21	16.3 Å²	16.3	15%	0.147	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-124.6	174.1	-168	0	0	0	0	112.4	G140 G141 A142 I162 V164 H424	S138-G140 PolarHBondContact O-N 2.81Å; S138-G141 WeakPolarHBondContact O-CA 3.38Å; S138-G141 PolarHBondContact O-N 2.92Å; S138-A142 PolarHBondContact O-N 3.03Å; S138-I162 PolarHBondContact N-O 3.47Å; S138-I162 VanDerWaalsContact N-O 3.07Å; S138-V164 WeakPolarHBondContact O-CG2 3.5Å; S138-H424 WeakPolarHBondContact CB-NE2 3.38Å; S138-H424 PolarHBondContact OG-NE2 2.78Å
139	M	97.3	Very high	98.1	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-47	-44	170.8	-176.5	-172.8	77.8	0	0	113.1	M94 L113 H137 G141 A142 V143 W376	M94-M139 HydrophobicContact CE-CE 3.35Å; M94-M139 HydrophobicContact SD-CE 4.35Å; L113-M139 HydrophobicContact CD1-CG 4.49Å; L113-M139 HydrophobicContact CD1-SD 4.28Å; H137-M139 PolarHBondContact O-N 3.35Å; M139-G141 VanDerWaalsContact C-N 3.26Å; M139-G141 PolarHBondContact O-N 2.72Å; M139-A142 WeakPolarHBondContact O-CB 3.15Å; M139-A142 PolarHBondContact O-N 3.18Å; M139-A142 VanDerWaalsContact O-N 3.17Å; M139-V143 WeakPolarHBondContact O-CG2 3.3Å; M139-V143 PolarHBondContact O-N 3.15Å; M139-W376 HydrophobicContact CB-CE3 4.21Å; M139-W376 HydrophobicContact CB-CZ3 4.17Å; M139-W376 HydrophobicContact CG-CD2 4.01Å; M139-W376 HydrophobicContact CG-CE3 3.8Å; M139-W376 HydrophobicContact CG-CH2 3.98Å; M139-W376 HydrophobicContact CG-CZ2 4.18Å; M139-W376 HydrophobicContact CG-CZ3 3.77Å; M139-W376 HydrophobicContact SD-CE3 4.36Å; M139-W376 HydrophobicContact SD-CH2 3.41Å; M139-W376 WeakPolarHBondContact SD-CH2 3.41Å; M139-W376 HydrophobicContact SD-CZ2 3.72Å; M139-W376 HydrophobicContact SD-CZ3 3.76Å
140	G	98.6	Very high	98.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-27.4	176.2	0	0	0	0	0	113.6	H65 G136 H137 S138 A144	H65-G140 VanDerWaalsContact O-CA 3.29Å; H65-G140 WeakPolarHBondContact O-CA 3.28Å; H65-G140 PolarHBondContact O-N 2.77Å; H65-G140 VanDerWaalsContact O-N 3.12Å; G136-G140 WeakPolarHBondContact CA-O 3.39Å; H137-G140 WeakPolarHBondContact O-CA 3.39Å; H137-G140 PolarHBondContact O-N 3.27Å; S138-G140 PolarHBondContact O-N 2.81Å; G140-A144 WeakPolarHBondContact O-CB 3.32Å; G140-A144 PolarHBondContact O-N 2.99Å
141	G	98.3	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-43.9	170.6	0	0	0	0	0	112.2	G136 H137 S138 M139 A144 V145	G136-G141 VanDerWaalsContact C-CA 3.46Å; G136-G141 VanDerWaalsContact C-N 3.32Å; G136-G141 WeakPolarHBondContact O-CA 3.34Å; H137-G141 PolarHBondContact O-N 3.09Å; S138-G141 WeakPolarHBondContact O-CA 3.38Å; S138-G141 PolarHBondContact O-N 2.92Å; M139-G141 VanDerWaalsContact C-N 3.26Å; M139-G141 PolarHBondContact O-N 2.72Å; G141-A144 PolarHBondContact O-N 2.85Å; G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.35Å; G141-V145 VanDerWaalsContact O-N 3.12Å
142	A	98.3	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-48.4	172.6	0	0	0	0	0	111.7	I110 S138 M139 A144 V145 H146 W376 F377 L380	I110-A142 HydrophobicContact CD1-CB 4.21Å; S138-A142 PolarHBondContact O-N 3.03Å; M139-A142 WeakPolarHBondContact O-CB 3.15Å; M139-A142 PolarHBondContact O-N 3.18Å; M139-A142 VanDerWaalsContact O-N 3.17Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.23Å; A142-V145 PolarHBondContact O-N 2.9Å; A142-H146 PolarHBondContact O-CD2 3.39Å; A142-H146 VanDerWaalsContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.18Å; A142-W376 HydrophobicContact CB-CB 4.21Å; A142-W376 WeakPolarHBondContact CB-O 3.27Å; A142-F377 HydrophobicContact CB-CD1 4.28Å; A142-F377 HydrophobicContact CB-CE1 4.18Å; A142-L380 HydrophobicContact CB-CD1 4.18Å; A142-L380 HydrophobicContact CB-CD2 4.17Å
143	V	98.7	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.8	-45.5	176.7	177.6	0	0	0	0	110.9	L64 M94 I110 L113 I117 M139 V145 H146 V147	L64-V143 HydrophobicContact CD1-CB 4.16Å; L64-V143 HydrophobicContact CD1-CG1 3.9Å; M94-V143 HydrophobicContact SD-CG2 4.38Å; I110-V143 HydrophobicContact CD1-CB 4.43Å; I110-V143 HydrophobicContact CD1-CG2 3.81Å; L113-V143 HydrophobicContact CB-CG1 4.35Å; L113-V143 HydrophobicContact CB-CG2 3.76Å; L113-V143 HydrophobicContact CD1-CG2 3.95Å; L113-V143 HydrophobicContact CG-CG2 4.49Å; I117-V143 HydrophobicContact CG1-CG1 3.78Å; M139-V143 WeakPolarHBondContact O-CG2 3.3Å; M139-V143 PolarHBondContact O-N 3.15Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 2.81Å; V143-H146 PolarHBondContact O-N 3.44Å; V143-V147 HydrophobicContact CG1-CG2 4.07Å; V143-V147 WeakPolarHBondContact O-CB 3.32Å; V143-V147 VanDerWaalsContact O-CG2 3.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.22Å; V143-V147 PolarHBondContact O-N 3.49Å
144	A	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-44.3	178.4	0	0	0	0	0	112.5	L64 L134 G140 G141 A142 A148 L159	L64-A144 HydrophobicContact CD1-CB 3.99Å; L134-A144 HydrophobicContact CB-CB 4.16Å; G140-A144 WeakPolarHBondContact O-CB 3.32Å; G140-A144 PolarHBondContact O-N 2.99Å; G141-A144 PolarHBondContact O-N 2.85Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.43Å; A144-A148 PolarHBondContact O-N 3.36Å; A144-L159 HydrophobicContact CB-CD1 3.62Å
145	V	98.6	Very high	97.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-45.8	176.8	172.7	0	0	0	0	111.1	G141 A142 V143 A148 C149 L159 V161 L380 L383 F384 I387	G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.35Å; G141-V145 VanDerWaalsContact O-N 3.12Å; A142-V145 PolarHBondContact O-N 2.9Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 2.81Å; V145-A148 PolarHBondContact O-N 2.72Å; V145-C149 WeakPolarHBondContact O-CB 3.31Å; V145-C149 PolarHBondContact O-N 3.11Å; V145-C149 PolarHBondContact O-SG 2.81Å; V145-L159 HydrophobicContact CG2-CD2 3.98Å; V145-V161 HydrophobicContact CG2-CG2 3.77Å; V145-L380 HydrophobicContact CB-CD1 3.62Å; V145-L380 HydrophobicContact CG1-CD1 3.62Å; V145-L380 HydrophobicContact CG2-CD1 3.95Å; V145-L383 HydrophobicContact CG1-CB 3.72Å; V145-F384 HydrophobicContact CG1-CB 4.23Å; V145-F384 HydrophobicContact CG2-CB 4.22Å; V145-F384 HydrophobicContact CG2-CD2 4.1Å; V145-I387 HydrophobicContact CG1-CD1 4.08Å
146	H	98.5	Very high	97.7	Very high	34 Å²	34	25.3 Å²	25.3	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-41.2	179.8	-83.6	-103.4	0	0	0	112.4	I110 S114 A142 V143 C149 K150	I110-H146 HydrophobicContact CD1-CB 4.42Å; I110-H146 HydrophobicContact CG1-CB 3.98Å; I110-H146 VanDerWaalsContact CG1-CG 3.43Å; S114-H146 WeakPolarHBondContact OG-CB 3.41Å; A142-H146 PolarHBondContact O-CD2 3.39Å; A142-H146 VanDerWaalsContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.18Å; V143-H146 PolarHBondContact O-N 3.44Å; H146-C149 PolarHBondContact O-N 2.96Å; H146-K150 WeakPolarHBondContact O-CG 3.25Å; H146-K150 PolarHBondContact O-N 2.67Å; H146-K150 VanDerWaalsContact O-N 3.1Å
147	V	98.6	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-48.1	173.5	169.5	0	0	0	0	110.6	I117 I118 L134 V143 C149 K150 I153	I117-V147 HydrophobicContact CB-CG2 3.98Å; I117-V147 HydrophobicContact CG2-CG1 4.39Å; I117-V147 HydrophobicContact CG2-CG2 4.08Å; I118-V147 HydrophobicContact CG1-CG1 3.96Å; I118-V147 HydrophobicContact CG1-CG2 4.4Å; L134-V147 HydrophobicContact CD1-CB 4.17Å; L134-V147 HydrophobicContact CD1-CG1 3.75Å; V143-V147 HydrophobicContact CG1-CG2 4.07Å; V143-V147 WeakPolarHBondContact O-CB 3.32Å; V143-V147 VanDerWaalsContact O-CG2 3.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.22Å; V143-V147 PolarHBondContact O-N 3.49Å; V147-C149 PolarHBondContact O-N 3.26Å; V147-K150 PolarHBondContact O-N 3.25Å; V147-I153 HydrophobicContact CG1-CD1 3.32Å
148	A	98.6	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-42.6	177.4	0	0	0	0	0	112.3	L134 A144 V145 K150 R151 L156 L159 I387	L134-A148 HydrophobicContact CD1-CB 4.32Å; A144-A148 WeakPolarHBondContact O-CB 3.43Å; A144-A148 PolarHBondContact O-N 3.36Å; V145-A148 PolarHBondContact O-N 2.72Å; A148-K150 VanDerWaalsContact C-N 3.27Å; A148-K150 PolarHBondContact O-N 2.97Å; A148-R151 VanDerWaalsContact O-CD 3.23Å; A148-R151 WeakPolarHBondContact O-CD 3.39Å; A148-R151 PolarHBondContact O-N 3.39Å; A148-R151 VanDerWaalsContact O-N 3.13Å; A148-L156 HydrophobicContact CB-CD2 3.59Å; A148-L159 HydrophobicContact CB-CD2 4.39Å; A148-I387 HydrophobicContact CB-CD1 3.58Å; A148-I387 HydrophobicContact CB-CG1 4.2Å; A148-I387 HydrophobicContact CB-CG2 4.37Å
149	C	97.5	Very high	97.8	Very high	34 Å²	34	25.2 Å²	25.2	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-29.2	178.4	-71.9	0	0	0	0	113.6	V145 H146 V147 R151 L383	V145-C149 WeakPolarHBondContact O-CB 3.31Å; V145-C149 PolarHBondContact O-N 3.11Å; V145-C149 PolarHBondContact O-SG 2.81Å; H146-C149 PolarHBondContact O-N 2.96Å; V147-C149 PolarHBondContact O-N 3.26Å; C149-R151 PolarHBondContact O-N 3.14Å; C149-L383 HydrophobicContact CB-CD2 4.42Å; C149-L383 PolarHBondContact SG-O 2.94Å
150	K	97.2	Very high	97.9	Very high	76 Å²	76	25.2 Å²	25.2	33%	0.33	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19	176.5	-75.4	177.7	175.7	-167.8	0	113.2	D111 I118 H146 V147 A148 T152	D111-K150 IonicContact OD1-NZ 3.93Å; D111-K150 PolarHBondContact OD1-NZ 3.35Å; I118-K150 HydrophobicContact CD1-CB 4.4Å; I118-K150 HydrophobicContact CD1-CD 3.72Å; H146-K150 WeakPolarHBondContact O-CG 3.25Å; H146-K150 PolarHBondContact O-N 2.67Å; H146-K150 VanDerWaalsContact O-N 3.1Å; V147-K150 PolarHBondContact O-N 3.25Å; A148-K150 VanDerWaalsContact C-N 3.27Å; A148-K150 PolarHBondContact O-N 2.97Å; K150-T152 HydrophobicContact CB-CG2 4.21Å; K150-T152 PolarHBondContact O-N 3.15Å; K150-T152 VanDerWaalsContact O-N 3.15Å
151	R	96	Very high	97.9	Very high	129 Å²	129	25.4 Å²	25.4	49%	0.487	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.2	178	-58.2	-58	-175.1	107.5	38.9	115	A148 C149 P388 E389	A148-R151 VanDerWaalsContact O-CD 3.23Å; A148-R151 WeakPolarHBondContact O-CD 3.39Å; A148-R151 PolarHBondContact O-N 3.39Å; A148-R151 VanDerWaalsContact O-N 3.13Å; C149-R151 PolarHBondContact O-N 3.14Å; R151-P388 VanDerWaalsContact CZ-CG 3.43Å; R151-P388 VanDerWaalsContact NH2-CG 3.29Å; R151-E389 IonicContact CZ-OE1 2.9Å; R151-E389 IonicContact CZ-OE2 2.78Å; R151-E389 IonicContact NH1-OE1 2.67Å; R151-E389 PolarHBondContact NH1-OE1 2.74Å; R151-E389 IonicContact NH1-OE2 2.87Å
152	T	95.8	Very high	97.9	Very high	56 Å²	56	25.4 Å²	25.4	34%	0.344	14%	0.137	S	C	.	.			trans	-87.4	-17.4	179.8	53	0	0	0	0	113.4	I118 F122 K150 P154	I118-T152 VanDerWaalsContact CD1-OG1 3.3Å; I118-T152 WeakPolarHBondContact CD1-OG1 3.24Å; F122-T152 VanDerWaalsContact CZ-O 3.28Å; F122-T152 WeakPolarHBondContact CZ-O 3.28Å; K150-T152 HydrophobicContact CB-CG2 4.21Å; K150-T152 PolarHBondContact O-N 3.15Å; K150-T152 VanDerWaalsContact O-N 3.15Å; T152-P154 VanDerWaalsContact O-CD 3.31Å; T152-P154 WeakPolarHBondContact O-CD 3.44Å
153	I	96.5	Very high	97.6	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.051	14%	0.139	C	C	.	.			trans	-100	103.3	-176.7	-59.5	161.3	0	0	0	108.6	I118 I121 I132 V147 S155 L156	I118-I153 HydrophobicContact CG1-CD1 4.5Å; I121-I153 HydrophobicContact CD1-CD1 3.46Å; I121-I153 VanDerWaalsContact CD1-CD1 3.46Å; I121-I153 HydrophobicContact CD1-CG1 4.32Å; I121-I153 HydrophobicContact CG2-CG1 4.46Å; I121-I153 HydrophobicContact CG2-CG2 4.3Å; I132-I153 HydrophobicContact CD1-CG2 4.01Å; V147-I153 HydrophobicContact CG1-CD1 3.32Å; I153-S155 VanDerWaalsContact C-N 3.28Å; I153-S155 PolarHBondContact O-N 3.2Å; I153-L156 HydrophobicContact CB-CB 4.29Å; I153-L156 HydrophobicContact CG2-CB 4.17Å; I153-L156 WeakPolarHBondContact O-CB 3.48Å; I153-L156 PolarHBondContact O-N 3.33Å
154	P	95.7	Very high	97.2	Very high	124 Å²	124	26 Å²	26	81%	0.805	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.6	-174.2	-21.3	35.2	0	0	0	113.6	T152 L156	T152-P154 VanDerWaalsContact O-CD 3.31Å; T152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-L156 VanDerWaalsContact C-N 3.3Å; P154-L156 PolarHBondContact O-N 3.36Å
155	S	97.5	Very high	96.7	Very high	28 Å²	28	26 Å²	26	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.1	-179.8	60.7	0	0	0	0	113.9	A129 I132 I153 A157	A129-S155 WeakPolarHBondContact CB-OG 3.27Å; I132-S155 WeakPolarHBondContact CD1-OG 3.39Å; I132-S155 WeakPolarHBondContact CG1-OG 3.28Å; I132-S155 PolarHBondContact N-O 2.82Å; I153-S155 VanDerWaalsContact C-N 3.28Å; I153-S155 PolarHBondContact O-N 3.2Å; S155-A157 PolarHBondContact O-N 2.89Å; S155-A157 VanDerWaalsContact O-N 3.11Å
156	L	98.3	Very high	96.2	Very high	16 Å²	16	27.7 Å²	27.7	8%	0.084	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	115.3	177.9	-177.7	68.1	0	0	0	109.6	L134 A148 I153 P154 E389	L134-L156 HydrophobicContact CB-CD1 4.36Å; L134-L156 HydrophobicContact CD1-CD1 3.65Å; L134-L156 HydrophobicContact CG-CD1 3.67Å; A148-L156 HydrophobicContact CB-CD2 3.59Å; I153-L156 HydrophobicContact CB-CB 4.29Å; I153-L156 HydrophobicContact CG2-CB 4.17Å; I153-L156 WeakPolarHBondContact O-CB 3.48Å; I153-L156 PolarHBondContact O-N 3.33Å; P154-L156 VanDerWaalsContact C-N 3.3Å; P154-L156 PolarHBondContact O-N 3.36Å; L156-E389 HydrophobicContact CG-CG 4.35Å
157	A	98.3	Very high	95.6	Very high	19 Å²	19	27.8 Å²	27.8	16%	0.157	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-23.7	-175.8	0	0	0	0	0	112.9	P131 I132 S155 P390 F447	P131-A157 HydrophobicContact CB-CB 3.84Å; I132-A157 PolarHBondContact O-N 3Å; S155-A157 PolarHBondContact O-N 2.89Å; S155-A157 VanDerWaalsContact O-N 3.11Å; A157-P390 WeakPolarHBondContact O-CD 3.22Å; A157-F447 HydrophobicContact CB-CD1 4.37Å; A157-F447 HydrophobicContact CB-CE1 3.99Å; A157-F447 HydrophobicContact CB-CZ 4.19Å; A157-F447 WeakPolarHBondContact O-CZ 3.31Å
158	G	98.6	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	166.3	-179.8	0	0	0	0	0	113.9	I132 I133 L134 P390	I132-G158 PolarHBondContact O-N 3.38Å; I133-G158 WeakPolarHBondContact CA-O 3.29Å; L134-G158 PolarHBondContact N-O 2.86Å; L134-G158 VanDerWaalsContact N-O 3.08Å; G158-P390 WeakPolarHBondContact CA-O 3.26Å
159	L	98.8	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.8	178.9	175.1	65.2	0	0	0	111.1	L134 A144 V145 A148 V161 F384 I387 P390 K391 L392	L134-L159 HydrophobicContact CB-CD1 3.89Å; L134-L159 CarbonylContact O-C 3.41Å; L134-L159 WeakPolarHBondContact O-CA 3.33Å; A144-L159 HydrophobicContact CB-CD1 3.62Å; V145-L159 HydrophobicContact CG2-CD2 3.98Å; A148-L159 HydrophobicContact CB-CD2 4.39Å; L159-V161 HydrophobicContact CD1-CG2 4.27Å; L159-V161 HydrophobicContact CD2-CG2 4.32Å; L159-V161 HydrophobicContact CG-CG2 4.15Å; L159-F384 HydrophobicContact CD2-CD2 3.86Å; L159-F384 HydrophobicContact CD2-CE2 4.15Å; L159-I387 HydrophobicContact CD2-CD1 3.45Å; L159-I387 VanDerWaalsContact CD2-CD1 3.45Å; L159-P390 PolarHBondContact N-O 2.58Å; L159-K391 HydrophobicContact CB-CG 4.23Å; L159-K391 CarbonylContact O-C 2.98Å; L159-K391 VanDerWaalsContact O-CA 3.28Å; L159-K391 WeakPolarHBondContact O-CA 3.46Å; L159-L392 PolarHBondContact O-N 3.2Å
160	V	98.8	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.2	172.6	-172	0	0	0	0	109.5	I133 L134 V135 G136 I162 L392 L394 L438 F441	I133-V160 HydrophobicContact CG2-CG2 3.89Å; L134-V160 PolarHBondContact O-N 3.27Å; V135-V160 WeakPolarHBondContact CA-O 3.5Å; V135-V160 HydrophobicContact CB-CB 4.28Å; V135-V160 HydrophobicContact CG1-CB 4.06Å; V135-V160 HydrophobicContact CG1-CG1 4.26Å; V135-V160 HydrophobicContact CG2-CB 3.99Å; V135-V160 HydrophobicContact CG2-CG2 4.03Å; G136-V160 PolarHBondContact N-O 3.32Å; V160-I162 HydrophobicContact CG1-CG1 4.36Å; V160-L392 CarbonylContact C-O 3.52Å; V160-L392 VanDerWaalsContact CA-O 3.27Å; V160-L392 WeakPolarHBondContact CA-O 3.38Å; V160-L392 HydrophobicContact CG1-CB 4.2Å; V160-L392 HydrophobicContact CG1-CD2 4.09Å; V160-L392 HydrophobicContact CG1-CG 4.18Å; V160-L392 HydrophobicContact CG2-CB 4.14Å; V160-L392 HydrophobicContact CG2-CD2 4.31Å; V160-L394 HydrophobicContact CG1-CD1 4.31Å; V160-L394 HydrophobicContact CG1-CG 4.2Å; V160-L438 HydrophobicContact CB-CD2 4.4Å; V160-L438 HydrophobicContact CG1-CD2 4.02Å; V160-L438 HydrophobicContact CG2-CD2 3.83Å; V160-F441 HydrophobicContact CG2-CE1 4.3Å
161	V	98.4	Very high	93.5	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131	176	179	0	0	0	0	108.6	V145 L159 V164 F384 L392 L393 L394	V145-V161 HydrophobicContact CG2-CG2 3.77Å; L159-V161 HydrophobicContact CD1-CG2 4.27Å; L159-V161 HydrophobicContact CD2-CG2 4.32Å; L159-V161 HydrophobicContact CG-CG2 4.15Å; V161-V164 HydrophobicContact CG1-CB 3.9Å; V161-V164 HydrophobicContact CG1-CG2 4.36Å; V161-F384 HydrophobicContact CB-CE2 4.46Å; V161-F384 HydrophobicContact CG2-CD2 3.95Å; V161-F384 HydrophobicContact CG2-CE2 3.89Å; V161-L392 PolarHBondContact N-O 2.96Å; V161-L393 HydrophobicContact CB-CD1 3.88Å; V161-L393 HydrophobicContact CG1-CD1 3.93Å; V161-L393 WeakPolarHBondContact O-CA 3.28Å; V161-L394 PolarHBondContact O-N 2.83Å
162	I	97.6	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.2	-178.6	-49	-173	0	0	0	109.7	W74 V135 G136 H137 S138 V160 V164 L394 V426 Q427	W74-I162 HydrophobicContact CH2-CD1 3.78Å; W74-I162 HydrophobicContact CZ3-CD1 3.82Å; V135-I162 HydrophobicContact CG1-CD1 4.17Å; G136-I162 PolarHBondContact O-N 3.25Å; H137-I162 HydrophobicContact CB-CB 4.27Å; H137-I162 PolarHBondContact CD2-O 3.36Å; S138-I162 PolarHBondContact N-O 3.47Å; S138-I162 VanDerWaalsContact N-O 3.07Å; V160-I162 HydrophobicContact CG1-CG1 4.36Å; I162-V164 PolarHBondContact O-N 3.29Å; I162-L394 HydrophobicContact CD1-CD1 4.01Å; I162-L394 HydrophobicContact CG1-CB 4.28Å; I162-L394 HydrophobicContact CG1-CD1 4.03Å; I162-L394 HydrophobicContact CG1-CG 4.33Å; I162-L394 HydrophobicContact CG2-CB 4.24Å; I162-V426 HydrophobicContact CG2-CB 3.85Å; I162-V426 HydrophobicContact CG2-CG2 4.22Å; I162-Q427 HydrophobicContact CD1-CB 4.14Å
163	D	93.3	Very high	92.5	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	17%	0.174	C	C	.	.	S	Bend	trans	55.2	44.4	171	-148.2	41.3	0	0	0	114.7	L394 A396 R400 H424 V426	D163-L394 PolarHBondContact N-O 2.87Å; D163-A396 PolarHBondContact OD1-N 2.87Å; D163-R400 WeakPolarHBondContact OD1-CD 3.45Å; D163-R400 IonicContact OD1-CZ 3.52Å; D163-R400 VanDerWaalsContact OD1-CZ 3.27Å; D163-R400 IonicContact OD1-NE 3.27Å; D163-R400 IonicContact OD1-NH1 3.3Å; D163-R400 PolarHBondContact OD1-NH1 3.27Å; D163-R400 IonicContact OD2-CZ 3.97Å; D163-R400 VanDerWaalsContact OD2-CZ 3.3Å; D163-R400 IonicContact OD2-NH1 2.87Å; D163-R400 PolarHBondContact OD2-NH1 3.26Å; D163-R400 IonicContact OD2-NH2 3.87Å; D163-H424 WeakPolarHBondContact OD2-CA 3.32Å; D163-H424 IonicContact OD2-CE1 3.68Å; D163-H424 IonicContact OD2-CG 3.26Å; D163-H424 IonicContact OD2-ND1 3.51Å; D163-H424 PolarHBondContact OD2-ND1 2.82Å; D163-H424 VanDerWaalsContact OD2-ND1 3.15Å; D163-V426 HydrophobicContact CB-CG2 4.28Å
164	V	89.7	Confident	91.9	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.042	21%	0.212	C	C	.	.			trans	-134.4	124	172	-173.5	0	0	0	0	110.7	S138 V161 I162 F377 L380	S138-V164 WeakPolarHBondContact O-CG2 3.5Å; V161-V164 HydrophobicContact CG1-CB 3.9Å; V161-V164 HydrophobicContact CG1-CG2 4.36Å; I162-V164 PolarHBondContact O-N 3.29Å; V164-F377 HydrophobicContact CG1-CD1 3.78Å; V164-F377 HydrophobicContact CG1-CE1 3.89Å; V164-L380 HydrophobicContact CG1-CD2 3.35Å
165	V	88.4	Confident	91.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	20%	0.195	C	C	.	.			trans	-137	136.4	164.5	178.4	0	0	0	0	107.5	G167 S168 A169 L393 L395 R400 L401 D402 L405	V165-G167 PolarHBondContact O-N 2.86Å; V165-S168 PolarHBondContact O-N 3.23Å; V165-S168 PolarHBondContact O-OG 3.03Å; V165-A169 WeakPolarHBondContact O-CB 3.32Å; V165-A169 PolarHBondContact O-N 3.12Å; V165-L393 HydrophobicContact CG2-CD2 4.37Å; V165-L395 HydrophobicContact CG2-CD1 4.4Å; V165-L395 HydrophobicContact CG2-CD2 3.81Å; V165-R400 WeakPolarHBondContact CB-O 3.31Å; V165-R400 WeakPolarHBondContact CG1-O 3.33Å; V165-R400 HydrophobicContact CG2-CB 4.24Å; V165-R400 WeakPolarHBondContact CG2-O 3.25Å; V165-L401 HydrophobicContact CG2-CD2 4.47Å; V165-D402 HydrophobicContact CG1-CB 3.85Å; V165-D402 WeakPolarHBondContact CG1-OD2 3.39Å; V165-L405 HydrophobicContact CB-CD1 4.13Å; V165-L405 HydrophobicContact CG1-CD1 3.59Å; V165-L405 HydrophobicContact CG1-CG 4.42Å; V165-L405 HydrophobicContact CG2-CD1 3.77Å
166	E	89.4	Confident	91.2	Very high	37 Å²	37	33.7 Å²	33.7	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-52.2	-53.5	-172.4	168.4	172.1	-175.6	0	0	112.6	S168 A169 L170 F377 G379 L380 S381	E166-S168 PolarHBondContact O-N 3.31Å; E166-A169 PolarHBondContact O-N 3.37Å; E166-L170 HydrophobicContact CG-CD1 3.82Å; E166-L170 HydrophobicContact CG-CG 4.45Å; E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 3.5Å; E166-F377 WeakPolarHBondContact CG-O 3.35Å; E166-G379 PolarHBondContact OE1-N 3.28Å; E166-G379 WeakPolarHBondContact OE2-CA 3.42Å; E166-G379 PolarHBondContact OE2-N 2.81Å; E166-L380 HydrophobicContact CB-CB 4.34Å; E166-L380 PolarHBondContact OE2-N 3.32Å; E166-S381 WeakPolarHBondContact CB-OG 3.32Å; E166-S381 PolarHBondContact OE2-N 3.46Å
167	G	85	Confident	90.8	Very high	36 Å²	36	33.9 Å²	33.9	37%	0.371	20%	0.199	S	C	.	.	H	α-helix	trans	-59.3	-49.2	-176.5	0	0	0	0	0	113.2	V165 S171 D402	V165-G167 PolarHBondContact O-N 2.86Å; G167-S171 WeakPolarHBondContact O-CB 3.33Å; G167-S171 PolarHBondContact O-N 2.85Å; G167-S171 VanDerWaalsContact O-N 3.14Å; G167-S171 PolarHBondContact O-OG 2.89Å; G167-D402 PolarHBondContact N-OD2 3.23Å
168	S	85.7	Confident	90.5	Very high	25 Å²	25	36.1 Å²	36.1	18%	0.175	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-37.6	179.9	58	0	0	0	0	111.9	V165 E166 S171 S172 R400	V165-S168 PolarHBondContact O-N 3.23Å; V165-S168 PolarHBondContact O-OG 3.03Å; E166-S168 PolarHBondContact O-N 3.31Å; S168-S171 PolarHBondContact O-N 3.16Å; S168-S171 PolarHBondContact O-OG 2.9Å; S168-S172 WeakPolarHBondContact O-CB 3.42Å; S168-S172 PolarHBondContact O-N 3.42Å; S168-S172 PolarHBondContact O-OG 2.84Å; S168-R400 PolarHBondContact OG-O 3.11Å
169	A	85.9	Confident	90.2	Very high	14 Å²	14	41.8 Å²	41.8	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-52.5	175.8	0	0	0	0	0	111.3	V165 E166 S171 S172 L173 F377	V165-A169 WeakPolarHBondContact O-CB 3.32Å; V165-A169 PolarHBondContact O-N 3.12Å; E166-A169 PolarHBondContact O-N 3.37Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 3.36Å; A169-S172 WeakPolarHBondContact O-CB 3.4Å; A169-S172 PolarHBondContact O-N 2.82Å; A169-S172 VanDerWaalsContact O-N 3.08Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.12Å; A169-F377 HydrophobicContact CB-CB 4.18Å; A169-F377 HydrophobicContact CB-CD1 3.93Å; A169-F377 HydrophobicContact CB-CD2 4.07Å; A169-F377 HydrophobicContact CB-CE1 4.38Å; A169-F377 HydrophobicContact CB-CG 3.78Å
170	L	88.2	Confident	89.9	Confident	52 Å²	52	42.1 Å²	42.1	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-36.1	179.2	-70.8	176.3	0	0	0	112.5	E166 L173 K374 F377	E166-L170 HydrophobicContact CG-CD1 3.82Å; E166-L170 HydrophobicContact CG-CG 4.45Å; E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 3.5Å; L170-L173 HydrophobicContact CD2-CD1 3.97Å; L170-K374 HydrophobicContact CD2-CG 4.33Å; L170-F377 HydrophobicContact CD2-CB 4.12Å; L170-F377 HydrophobicContact CG-CB 4.27Å
171	S	87.8	Confident	89.6	Confident	69 Å²	69	50 Å²	50	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-40.7	174.2	75.8	0	0	0	0	112.2	G167 S168 A169 L173 R174	G167-S171 WeakPolarHBondContact O-CB 3.33Å; G167-S171 PolarHBondContact O-N 2.85Å; G167-S171 VanDerWaalsContact O-N 3.14Å; G167-S171 PolarHBondContact O-OG 2.89Å; S168-S171 PolarHBondContact O-N 3.16Å; S168-S171 PolarHBondContact O-OG 2.9Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 3.36Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 2.96Å; S171-R174 PolarHBondContact O-N 2.84Å
172	S	86	Confident	89.4	Confident	73 Å²	73	54.3 Å²	54.3	51%	0.51	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-27.1	-178.9	-59.8	0	0	0	0	112.9	S168 A169 R174 G175 M176	S168-S172 WeakPolarHBondContact O-CB 3.42Å; S168-S172 PolarHBondContact O-N 3.42Å; S168-S172 PolarHBondContact O-OG 2.84Å; A169-S172 WeakPolarHBondContact O-CB 3.4Å; A169-S172 PolarHBondContact O-N 2.82Å; A169-S172 VanDerWaalsContact O-N 3.08Å; S172-R174 PolarHBondContact O-N 2.83Å; S172-R174 VanDerWaalsContact O-N 3.07Å; S172-G175 PolarHBondContact O-N 3.25Å; S172-G175 VanDerWaalsContact O-N 3.1Å; S172-M176 PolarHBondContact O-N 2.86Å
173	L	85.5	Confident	89.2	Confident	30 Å²	30	55.7 Å²	55.7	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-29.5	177	-63.1	-172.3	0	0	0	112.9	A169 L170 S171 G175 M176 W373 F377	A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.12Å; L170-L173 HydrophobicContact CD2-CD1 3.97Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 2.96Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.94Å; L173-M176 HydrophobicContact CD2-CE 3.33Å; L173-M176 PolarHBondContact O-N 3.42Å; L173-W373 HydrophobicContact CB-CE3 4.41Å; L173-W373 HydrophobicContact CD1-CB 3.71Å; L173-W373 HydrophobicContact CD2-CB 3.79Å; L173-W373 HydrophobicContact CD2-CD2 4.16Å; L173-W373 HydrophobicContact CD2-CE3 3.88Å; L173-W373 HydrophobicContact CD2-CG 4.19Å; L173-W373 HydrophobicContact CG-CB 4.38Å; L173-F377 HydrophobicContact CD1-CD2 4.34Å; L173-F377 HydrophobicContact CD2-CD2 4.28Å; L173-F377 HydrophobicContact CD2-CE2 3.99Å
174	R	83.4	Confident	89.4	Confident	227 Å²	227	57.5 Å²	57.5	86%	0.857	32%	0.322	S	S	*	.	H	α-helix	trans	-64.2	-36.8	-179.6	-62.8	-179.1	-178.5	-177.5	0.9	112.8	S171 S172	S171-R174 PolarHBondContact O-N 2.84Å; S172-R174 PolarHBondContact O-N 2.83Å; S172-R174 VanDerWaalsContact O-N 3.07Å
175	G	88.8	Confident	89.6	Confident	43 Å²	43	62.5 Å²	62.5	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-91.4	-16.7	179.8	0	0	0	0	0	113.9	S172 L173 T177 A178 F179	S172-G175 PolarHBondContact O-N 3.25Å; S172-G175 VanDerWaalsContact O-N 3.1Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.94Å; G175-T177 PolarHBondContact O-N 2.93Å; G175-A178 PolarHBondContact O-N 2.86Å; G175-A178 VanDerWaalsContact O-N 3.15Å; G175-F179 PolarHBondContact O-N 3.16Å
176	M	89.1	Confident	90	Very high	49 Å²	49	64.4 Å²	64.4	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-39.8	-170.3	-171	154.4	64.8	0	0	113	S172 L173 A178 F179 L180 W373	S172-M176 PolarHBondContact O-N 2.86Å; L173-M176 HydrophobicContact CD2-CE 3.33Å; L173-M176 PolarHBondContact O-N 3.42Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 3.38Å; M176-F179 PolarHBondContact O-N 2.74Å; M176-L180 HydrophobicContact CG-CD1 3.95Å; M176-L180 HydrophobicContact CG-CG 4.16Å; M176-L180 WeakPolarHBondContact O-CB 3.24Å; M176-L180 VanDerWaalsContact O-CG 3.24Å; M176-L180 WeakPolarHBondContact O-CG 3.42Å; M176-L180 PolarHBondContact O-N 3.34Å; M176-W373 HydrophobicContact CB-CH2 4.23Å; M176-W373 HydrophobicContact CB-CZ3 3.98Å; M176-W373 HydrophobicContact CE-CD2 3.23Å; M176-W373 VanDerWaalsContact CE-CE2 3.45Å; M176-W373 HydrophobicContact CE-CE3 3.16Å; M176-W373 HydrophobicContact CE-CG 4.02Å; M176-W373 HydrophobicContact CE-CH2 3.54Å; M176-W373 HydrophobicContact CE-CZ2 3.6Å; M176-W373 HydrophobicContact CE-CZ3 3.32Å; M176-W373 HydrophobicContact CG-CH2 3.96Å; M176-W373 HydrophobicContact CG-CZ3 4.15Å
177	T	89.8	Confident	90.4	Very high	20 Å²	20	62.8 Å²	62.8	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-39	177.7	-54.1	0	0	0	0	112.1	G175 R181 I367 Q370	G175-T177 PolarHBondContact O-N 2.93Å; T177-R181 VanDerWaalsContact O-CG 3.32Å; T177-R181 WeakPolarHBondContact O-CG 3.49Å; T177-R181 PolarHBondContact O-N 2.77Å; T177-I367 HydrophobicContact CG2-CG2 4.25Å; T177-Q370 PolarHBondContact OG1-OE1 3.38Å; T177-Q370 VanDerWaalsContact OG1-OE1 3.11Å
178	A	92.7	Very high	90.9	Very high	67 Å²	67	65 Å²	65	55%	0.554	35%	0.349	S	S	*	.	H	α-helix	trans	-67.3	-45.2	176.5	0	0	0	0	0	111.2	G175 M176 L180 R181 S182	G175-A178 PolarHBondContact O-N 2.86Å; G175-A178 VanDerWaalsContact O-N 3.15Å; M176-A178 VanDerWaalsContact C-N 3.32Å; M176-A178 PolarHBondContact O-N 3.38Å; A178-L180 PolarHBondContact O-N 2.98Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-S182 PolarHBondContact O-N 2.74Å
179	F	91.4	Very high	91.4	Very high	118 Å²	118	63.8 Å²	63.8	52%	0.518	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-45.8	175.2	171.2	-102.2	0	0	0	112.4	G175 M176 R181 S182	G175-F179 PolarHBondContact O-N 3.16Å; M176-F179 PolarHBondContact O-N 2.74Å; F179-R181 VanDerWaalsContact C-N 3.29Å; F179-R181 PolarHBondContact O-N 3.41Å; F179-S182 PolarHBondContact O-N 3.24Å; F179-S182 PolarHBondContact O-OG 2.89Å
180	L	92.7	Very high	92	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-34.1	-178.9	-68.3	173.4	0	0	0	112.2	M176 A178 R183 L366 I367 W373	M176-L180 HydrophobicContact CG-CD1 3.95Å; M176-L180 HydrophobicContact CG-CG 4.16Å; M176-L180 WeakPolarHBondContact O-CB 3.24Å; M176-L180 VanDerWaalsContact O-CG 3.24Å; M176-L180 WeakPolarHBondContact O-CG 3.42Å; M176-L180 PolarHBondContact O-N 3.34Å; A178-L180 PolarHBondContact O-N 2.98Å; L180-R183 VanDerWaalsContact CD2-CZ 3.48Å; L180-R183 PolarHBondContact O-NE 3.32Å; L180-L366 HydrophobicContact CD1-CB 4.01Å; L180-L366 HydrophobicContact CD1-CD2 4.13Å; L180-L366 HydrophobicContact CD1-CG 4.2Å; L180-L366 HydrophobicContact CD2-CB 4.43Å; L180-L366 HydrophobicContact CD2-CD2 4.01Å; L180-I367 HydrophobicContact CB-CD1 4.08Å; L180-I367 HydrophobicContact CB-CG1 3.83Å; L180-I367 HydrophobicContact CD1-CG1 3.87Å; L180-W373 HydrophobicContact CD1-CH2 3.99Å; L180-W373 HydrophobicContact CD1-CZ2 4.05Å
181	R	92.8	Very high	92.4	Very high	166 Å²	166	60.7 Å²	60.7	63%	0.626	32%	0.323	S	S	*	.	H	α-helix	trans	-74.1	-29.7	176.2	-72.9	178.4	-179.6	155.8	1.5	113.3	T177 A178 F179 R183 I367	T177-R181 VanDerWaalsContact O-CG 3.32Å; T177-R181 WeakPolarHBondContact O-CG 3.49Å; T177-R181 PolarHBondContact O-N 2.77Å; A178-R181 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact C-N 3.29Å; F179-R181 PolarHBondContact O-N 3.41Å; R181-R183 PolarHBondContact O-N 3.15Å; R181-I367 HydrophobicContact CG-CD1 3.58Å
182	S	93.7	Very high	92.8	Very high	93 Å²	93	60.6 Å²	60.6	65%	0.65	32%	0.315	S	S	*	.	H	α-helix	trans	-74.7	-13	178.5	67.3	0	0	0	0	113.4	A178 F179	A178-S182 PolarHBondContact O-N 2.74Å; F179-S182 PolarHBondContact O-N 3.24Å; F179-S182 PolarHBondContact O-OG 2.89Å
183	R	94.7	Very high	93.3	Very high	29 Å²	29	57.1 Å²	57.1	11%	0.109	29%	0.291	C	S	.	.	S	Bend	trans	-67.8	149.4	175.3	-61.4	-175.3	-58	167.3	5.4	111	L180 R181 Q185 W196 W362	L180-R183 VanDerWaalsContact CD2-CZ 3.48Å; L180-R183 PolarHBondContact O-NE 3.32Å; R181-R183 PolarHBondContact O-N 3.15Å; R183-Q185 PolarHBondContact O-N 3.05Å; R183-Q185 PolarHBondContact O-NE2 3.15Å; R183-W196 HydrophobicContact CB-CH2 4.32Å; R183-W196 HydrophobicContact CB-CZ2 4.3Å; R183-W196 HydrophobicContact CG-CH2 4.1Å; R183-W196 HydrophobicContact CG-CZ2 4.28Å; R183-W362 HydrophobicContact CB-CZ2 4.07Å; R183-W362 HydrophobicContact CG-CZ2 4.49Å
184	P	95.9	Very high	93.9	Very high	44 Å²	44	55.7 Å²	55.7	29%	0.286	28%	0.283	S	S	.	.			trans	-52.8	133.4	166.3	-22.8	33.4	0	0	0	110.1	S186 F187 W196 W362	P184-S186 VanDerWaalsContact C-N 3.27Å; P184-F187 HydrophobicContact CB-CE1 4.02Å; P184-F187 HydrophobicContact CB-CZ 4.15Å; P184-F187 HydrophobicContact CG-CE1 4.18Å; P184-F187 HydrophobicContact CG-CZ 4.43Å; P184-W196 HydrophobicContact CG-CD2 4.18Å; P184-W196 HydrophobicContact CG-CG 4.32Å; P184-W196 HydrophobicContact CG-CZ2 4.09Å; P184-W196 VanDerWaalsContact CG-NE1 3.33Å; P184-W362 PolarHBondContact O-NE1 3.35Å
185	Q	95.3	Very high	94.6	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.523	25%	0.249	S	C	.	.	S	Bend	trans	-80.7	-14.1	179.7	-61.8	-57	-52.9	0	0	112.3	R183 T361	R183-Q185 PolarHBondContact O-N 3.05Å; R183-Q185 PolarHBondContact O-NE2 3.15Å; Q185-T361 PolarHBondContact O-OG1 3.37Å
186	S	96.9	Very high	95	Very high	40 Å²	40	47.2 Å²	47.2	28%	0.28	24%	0.239	S	C	.	.			trans	-158.7	158.4	-176.9	60.3	0	0	0	0	112.6	P184 P358 Y360	P184-S186 VanDerWaalsContact C-N 3.27Å; S186-P358 WeakPolarHBondContact OG-CB 3.35Å; S186-P358 WeakPolarHBondContact OG-CG 3.02Å; S186-Y360 CarbonylContact C-O 3.57Å; S186-Y360 WeakPolarHBondContact CA-O 3.46Å; S186-Y360 WeakPolarHBondContact CB-O 3.34Å
187	F	97.1	Very high	95.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-130.9	146.8	179.5	-56.8	-82.1	0	0	0	110.9	P184 A193 W196 L217 Q359 Y360 W362	P184-F187 HydrophobicContact CB-CE1 4.02Å; P184-F187 HydrophobicContact CB-CZ 4.15Å; P184-F187 HydrophobicContact CG-CE1 4.18Å; P184-F187 HydrophobicContact CG-CZ 4.43Å; F187-A193 HydrophobicContact CB-CB 3.78Å; F187-A193 HydrophobicContact CD1-CB 3.71Å; F187-A193 HydrophobicContact CD2-CB 3.85Å; F187-A193 HydrophobicContact CE1-CB 4.21Å; F187-A193 HydrophobicContact CE2-CB 4.35Å; F187-A193 HydrophobicContact CG-CB 3.49Å; F187-A193 VanDerWaalsContact CG-CB 3.49Å; F187-W196 HydrophobicContact CE1-CB 3.96Å; F187-W196 AromaticContact CE1-CD2 3.82Å; F187-W196 HydrophobicContact CE1-CD2 3.82Å; F187-W196 AromaticContact CE1-CE3 3.87Å; F187-W196 HydrophobicContact CE1-CE3 3.87Å; F187-W196 AromaticContact CE1-CG 3.86Å; F187-W196 HydrophobicContact CE1-CG 3.86Å; F187-W196 HydrophobicContact CZ-CD2 4.03Å; F187-W196 AromaticContact CZ-CE3 3.7Å; F187-W196 HydrophobicContact CZ-CE3 3.7Å; F187-W196 HydrophobicContact CZ-CZ3 4.18Å; F187-L217 HydrophobicContact CD2-CD1 4.38Å; F187-L217 HydrophobicContact CD2-CD2 3.9Å; F187-L217 HydrophobicContact CE2-CD2 3.82Å; F187-Q359 WeakPolarHBondContact O-CA 3.28Å; F187-Q359 PolarHBondContact O-N 3.32Å; F187-Y360 PolarHBondContact N-O 3.2Å; F187-Y360 PolarHBondContact O-N 2.91Å; F187-W362 HydrophobicContact CE2-CH2 4.39Å; F187-W362 AromaticContact CE2-CZ2 3.99Å; F187-W362 HydrophobicContact CE2-CZ2 3.99Å; F187-W362 HydrophobicContact CZ-CH2 4.35Å; F187-W362 AromaticContact CZ-CZ2 3.94Å; F187-W362 HydrophobicContact CZ-CZ2 3.94Å
188	F	96.1	Very high	95.7	Very high	81 Å²	81	45 Å²	45	36%	0.355	23%	0.228	S	C	.	.	S	Bend	trans	-80.2	-24.7	179.5	-66.3	-87.3	0	0	0	113.3	Q192 N356 C357 P358 Q359	F188-Q192 VanDerWaalsContact CD2-OE1 3.32Å; F188-N356 WeakPolarHBondContact CE1-O 3.3Å; F188-C357 WeakPolarHBondContact CD1-O 3.36Å; F188-P358 HydrophobicContact CE1-CG 4.12Å; F188-P358 HydrophobicContact CZ-CG 4.15Å; F188-Q359 VanDerWaalsContact O-CB 3.24Å; F188-Q359 WeakPolarHBondContact O-CB 3.4Å; F188-Q359 WeakPolarHBondContact O-CG 3.37Å
189	S	96.3	Very high	95.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	23%	0.233	C	C	.	.	S	Bend	trans	-158.8	164.4	178	64.2	0	0	0	0	110.9	Q192 A193 V236 S238	S189-Q192 PolarHBondContact O-N 3.34Å; S189-Q192 PolarHBondContact OG-N 3.37Å; S189-A193 PolarHBondContact O-N 2.84Å; S189-A193 VanDerWaalsContact O-N 3.11Å; S189-V236 VanDerWaalsContact CB-O 3.32Å; S189-V236 WeakPolarHBondContact CB-O 3.49Å; S189-S238 WeakPolarHBondContact CB-O 3.49Å; S189-S238 PolarHBondContact OG-O 2.61Å
190	L	96.8	Very high	96	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-43.7	176.2	-62.6	-175.8	0	0	0	112.5	P29 Q192 A193 I194 P214 L217 A226 A235 V236 Y360	P29-L190 HydrophobicContact CB-CD1 4.45Å; P29-L190 HydrophobicContact CG-CB 4.14Å; P29-L190 HydrophobicContact CG-CD1 4.17Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.24Å; L190-A193 WeakPolarHBondContact O-CB 3.26Å; L190-A193 PolarHBondContact O-N 3.34Å; L190-A193 VanDerWaalsContact O-N 3.08Å; L190-I194 WeakPolarHBondContact O-CG1 3.08Å; L190-I194 PolarHBondContact O-N 2.76Å; L190-P214 HydrophobicContact CD1-CB 4.5Å; L190-L217 HydrophobicContact CD2-CD1 3.96Å; L190-A226 HydrophobicContact CD1-CB 4.18Å; L190-A226 HydrophobicContact CD2-CB 3.57Å; L190-A235 HydrophobicContact CD1-CB 3.76Å; L190-V236 PolarHBondContact N-O 3.45Å; L190-V236 VanDerWaalsContact N-O 3.1Å; L190-Y360 HydrophobicContact CD2-CD1 3.95Å; L190-Y360 HydrophobicContact CD2-CD2 3.76Å; L190-Y360 HydrophobicContact CD2-CE1 3.81Å; L190-Y360 HydrophobicContact CD2-CE2 3.56Å; L190-Y360 HydrophobicContact CD2-CG 3.95Å; L190-Y360 HydrophobicContact CG-CD2 4.27Å; L190-Y360 HydrophobicContact CG-CE1 4.38Å; L190-Y360 HydrophobicContact CG-CE2 3.63Å
191	P	97.1	Very high	96	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-35.6	177.1	-26.8	37.4	0	0	0	113.8	Y27 A193 E195 L237 K239	Y27-P191 WeakPolarHBondContact CB-O 3.46Å; Y27-P191 WeakPolarHBondContact O-CA 3.33Å; P191-A193 VanDerWaalsContact C-N 3.35Å; P191-E195 WeakPolarHBondContact O-CB 3.45Å; P191-E195 PolarHBondContact O-N 3.39Å; P191-L237 WeakPolarHBondContact CG-O 3.42Å; P191-K239 HydrophobicContact CB-CG 4.23Å
192	Q	96.3	Very high	96	Very high	66 Å²	66	43.2 Å²	43.2	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-65.9	-39.7	174.3	-174	-167.9	54.1	0	0	111.7	F188 S189 L190 E195 W196	F188-Q192 VanDerWaalsContact CD2-OE1 3.32Å; S189-Q192 PolarHBondContact O-N 3.34Å; S189-Q192 PolarHBondContact OG-N 3.37Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.24Å; Q192-E195 PolarHBondContact O-N 3.17Å; Q192-W196 WeakPolarHBondContact O-CB 3.37Å; Q192-W196 PolarHBondContact O-N 2.64Å
193	A	97.4	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-43.2	179.2	0	0	0	0	0	111.4	F187 S189 L190 P191 W196 S197 F213 L217	F187-A193 HydrophobicContact CB-CB 3.78Å; F187-A193 HydrophobicContact CD1-CB 3.71Å; F187-A193 HydrophobicContact CD2-CB 3.85Å; F187-A193 HydrophobicContact CE1-CB 4.21Å; F187-A193 HydrophobicContact CE2-CB 4.35Å; F187-A193 HydrophobicContact CG-CB 3.49Å; F187-A193 VanDerWaalsContact CG-CB 3.49Å; S189-A193 PolarHBondContact O-N 2.84Å; S189-A193 VanDerWaalsContact O-N 3.11Å; L190-A193 WeakPolarHBondContact O-CB 3.26Å; L190-A193 PolarHBondContact O-N 3.34Å; L190-A193 VanDerWaalsContact O-N 3.08Å; P191-A193 VanDerWaalsContact C-N 3.35Å; A193-W196 PolarHBondContact O-N 2.92Å; A193-S197 PolarHBondContact O-N 3.14Å; A193-F213 VanDerWaalsContact C-CE1 3.48Å; A193-F213 HydrophobicContact CB-CD1 4.05Å; A193-F213 HydrophobicContact CB-CE1 3.73Å; A193-F213 WeakPolarHBondContact O-CE1 3.41Å; A193-L217 HydrophobicContact CB-CD1 3.53Å
194	I	97.9	Very high	96.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-44.7	174	-66.4	161.2	0	0	0	110.8	Y27 P29 L190 W196 S197 V198 A209 R210 F213 P214	Y27-I194 HydrophobicContact CD1-CG2 4.02Å; Y27-I194 HydrophobicContact CG-CG2 4.45Å; Y27-I194 VanDerWaalsContact O-CD1 3.23Å; Y27-I194 WeakPolarHBondContact O-CD1 3.4Å; P29-I194 HydrophobicContact CB-CD1 3.81Å; L190-I194 WeakPolarHBondContact O-CG1 3.08Å; L190-I194 PolarHBondContact O-N 2.76Å; I194-W196 VanDerWaalsContact C-N 3.29Å; I194-W196 PolarHBondContact O-N 2.63Å; I194-S197 PolarHBondContact O-N 3.28Å; I194-S197 PolarHBondContact O-OG 3.14Å; I194-V198 WeakPolarHBondContact O-CG2 3.29Å; I194-V198 PolarHBondContact O-N 3.2Å; I194-V198 VanDerWaalsContact O-N 3.12Å; I194-A209 HydrophobicContact CG2-CB 4.11Å; I194-R210 HydrophobicContact CG2-CG 4.06Å; I194-F213 HydrophobicContact CG1-CB 4.14Å; I194-F213 HydrophobicContact CG1-CD1 4.35Å; I194-P214 HydrophobicContact CD1-CG 4.27Å
195	E	97.4	Very high	96.2	Very high	30 Å²	30	43.1 Å²	43.1	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-41.1	176.1	-179.3	165	-162.5	0	0	111.8	Y27 P191 Q192 R199 K239	Y27-E195 HydrophobicContact CD1-CB 4.26Å; Y27-E195 HydrophobicContact CD2-CB 3.52Å; Y27-E195 HydrophobicContact CD2-CG 3.64Å; Y27-E195 HydrophobicContact CE2-CB 3.86Å; Y27-E195 HydrophobicContact CE2-CG 3.49Å; Y27-E195 VanDerWaalsContact CE2-CG 3.49Å; Y27-E195 HydrophobicContact CG-CB 3.74Å; Y27-E195 HydrophobicContact CG-CG 4.32Å; P191-E195 WeakPolarHBondContact O-CB 3.45Å; P191-E195 PolarHBondContact O-N 3.39Å; Q192-E195 PolarHBondContact O-N 3.17Å; E195-R199 VanDerWaalsContact CD-NH1 3.29Å; E195-R199 WeakPolarHBondContact O-CB 3.06Å; E195-R199 WeakPolarHBondContact O-CG 3.29Å; E195-R199 PolarHBondContact O-N 3.04Å; E195-R199 IonicContact OE1-CZ 2.91Å; E195-R199 IonicContact OE1-NH1 3.92Å; E195-R199 PolarHBondContact OE1-NH1 3.16Å; E195-R199 IonicContact OE1-NH2 3.15Å; E195-R199 PolarHBondContact OE1-NH2 2.89Å; E195-K239 IonicContact OE1-NZ 3.05Å; E195-K239 IonicContact OE2-NZ 3.07Å; E195-K239 PolarHBondContact OE2-NZ 3.1Å
196	W	97	Very high	96.3	Very high	61 Å²	61	38.6 Å²	38.6	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-42	175.1	173.6	85.2	0	0	0	112.2	R183 P184 F187 Q192 A193 I194 V198 R199 S200 F213 W362	R183-W196 HydrophobicContact CB-CH2 4.32Å; R183-W196 HydrophobicContact CB-CZ2 4.3Å; R183-W196 HydrophobicContact CG-CH2 4.1Å; R183-W196 HydrophobicContact CG-CZ2 4.28Å; P184-W196 HydrophobicContact CG-CD2 4.18Å; P184-W196 HydrophobicContact CG-CG 4.32Å; P184-W196 HydrophobicContact CG-CZ2 4.09Å; P184-W196 VanDerWaalsContact CG-NE1 3.33Å; F187-W196 HydrophobicContact CE1-CB 3.96Å; F187-W196 AromaticContact CE1-CD2 3.82Å; F187-W196 HydrophobicContact CE1-CD2 3.82Å; F187-W196 AromaticContact CE1-CE3 3.87Å; F187-W196 HydrophobicContact CE1-CE3 3.87Å; F187-W196 AromaticContact CE1-CG 3.86Å; F187-W196 HydrophobicContact CE1-CG 3.86Å; F187-W196 HydrophobicContact CZ-CD2 4.03Å; F187-W196 AromaticContact CZ-CE3 3.7Å; F187-W196 HydrophobicContact CZ-CE3 3.7Å; F187-W196 HydrophobicContact CZ-CZ3 4.18Å; Q192-W196 WeakPolarHBondContact O-CB 3.37Å; Q192-W196 PolarHBondContact O-N 2.64Å; A193-W196 PolarHBondContact O-N 2.92Å; I194-W196 VanDerWaalsContact C-N 3.29Å; I194-W196 PolarHBondContact O-N 2.63Å; W196-V198 VanDerWaalsContact C-N 3.3Å; W196-V198 PolarHBondContact O-N 3.07Å; W196-R199 PolarHBondContact O-N 3.37Å; W196-S200 VanDerWaalsContact O-CB 3.24Å; W196-S200 WeakPolarHBondContact O-CB 3.3Å; W196-S200 PolarHBondContact O-N 3.08Å; W196-S200 PolarHBondContact O-OG 3.37Å; W196-F213 HydrophobicContact CE3-CE1 4.43Å; W196-F213 AromaticContact CE3-CZ 3.8Å; W196-F213 HydrophobicContact CE3-CZ 3.8Å; W196-F213 HydrophobicContact CZ3-CE2 4.25Å; W196-F213 AromaticContact CZ3-CZ 3.72Å; W196-F213 HydrophobicContact CZ3-CZ 3.72Å; W196-W362 AromaticContact CH2-CH2 3.98Å; W196-W362 HydrophobicContact CH2-CH2 3.98Å; W196-W362 AromaticContact CH2-CZ2 3.97Å; W196-W362 HydrophobicContact CH2-CZ2 3.97Å; W196-W362 AromaticContact CZ3-CH2 3.61Å; W196-W362 HydrophobicContact CZ3-CH2 3.61Å; W196-W362 AromaticContact CZ3-CZ2 3.92Å; W196-W362 HydrophobicContact CZ3-CZ2 3.92Å
197	S	97.1	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-35.9	-178.8	77	0	0	0	0	112.3	A193 I194 S200 Q202 I203 F213	A193-S197 PolarHBondContact O-N 3.14Å; I194-S197 PolarHBondContact O-N 3.28Å; I194-S197 PolarHBondContact O-OG 3.14Å; S197-S200 PolarHBondContact O-OG 2.94Å; S197-Q202 PolarHBondContact O-N 2.95Å; S197-I203 PolarHBondContact O-N 3.21Å; S197-I203 VanDerWaalsContact O-N 3.16Å; S197-F213 VanDerWaalsContact CB-CD2 3.41Å
198	V	96.6	Very high	96.4	Very high	23 Å²	23	40.7 Å²	40.7	14%	0.139	19%	0.194	C	C	.	.	H	α-helix	trans	-71.5	-50.3	174.4	176.8	0	0	0	0	111.3	Y27 I194 W196 S200 S201 I203 V206 A209	Y27-V198 HydrophobicContact CD1-CG2 4.5Å; Y27-V198 HydrophobicContact CE1-CB 4.17Å; Y27-V198 HydrophobicContact CE1-CG1 4.3Å; Y27-V198 HydrophobicContact CE1-CG2 4.17Å; I194-V198 WeakPolarHBondContact O-CG2 3.29Å; I194-V198 PolarHBondContact O-N 3.2Å; I194-V198 VanDerWaalsContact O-N 3.12Å; W196-V198 VanDerWaalsContact C-N 3.3Å; W196-V198 PolarHBondContact O-N 3.07Å; V198-S200 VanDerWaalsContact C-N 3.33Å; V198-S200 PolarHBondContact O-N 3.34Å; V198-S201 WeakPolarHBondContact O-CA 3.41Å; V198-S201 PolarHBondContact O-N 3.38Å; V198-I203 WeakPolarHBondContact CA-O 3.5Å; V198-V206 HydrophobicContact CG1-CG2 3.94Å; V198-V206 HydrophobicContact CG2-CG2 4.16Å; V198-A209 HydrophobicContact CG2-CB 3.66Å
199	R	95.4	Very high	96.5	Very high	170 Å²	170	36.8 Å²	36.8	64%	0.642	18%	0.177	S	C	*	.	H	α-helix	trans	-66.8	-32.7	-177.2	-75.5	-171.3	173.5	138	12.4	113.7	E195 W196 S201	E195-R199 VanDerWaalsContact CD-NH1 3.29Å; E195-R199 WeakPolarHBondContact O-CB 3.06Å; E195-R199 WeakPolarHBondContact O-CG 3.29Å; E195-R199 PolarHBondContact O-N 3.04Å; E195-R199 IonicContact OE1-CZ 2.91Å; E195-R199 IonicContact OE1-NH1 3.92Å; E195-R199 PolarHBondContact OE1-NH1 3.16Å; E195-R199 IonicContact OE1-NH2 3.15Å; E195-R199 PolarHBondContact OE1-NH2 2.89Å; W196-R199 PolarHBondContact O-N 3.37Å; R199-S201 PolarHBondContact O-N 3.32Å
200	S	94.4	Very high	96.6	Very high	55 Å²	55	39.6 Å²	39.6	39%	0.385	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.2	173.3	62.1	0	0	0	0	113.3	W196 S197 V198 Q202	W196-S200 VanDerWaalsContact O-CB 3.24Å; W196-S200 WeakPolarHBondContact O-CB 3.3Å; W196-S200 PolarHBondContact O-N 3.08Å; W196-S200 PolarHBondContact O-OG 3.37Å; S197-S200 PolarHBondContact O-OG 2.94Å; V198-S200 VanDerWaalsContact C-N 3.33Å; V198-S200 PolarHBondContact O-N 3.34Å; S200-Q202 PolarHBondContact O-N 3.38Å
201	S	94.1	Very high	96.6	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	23.7	-174.7	-56.4	0	0	0	0	114.1	V198 R199 I203	V198-S201 WeakPolarHBondContact O-CA 3.41Å; V198-S201 PolarHBondContact O-N 3.38Å; R199-S201 PolarHBondContact O-N 3.32Å; S201-I203 VanDerWaalsContact C-N 3.35Å
202	Q	93	Very high	96.7	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.15	19%	0.188	C	C	.	.	S	Bend	trans	-67	-40.4	171.1	-175.9	177.8	-29.3	0	0	110.5	S197 S200	S197-Q202 PolarHBondContact O-N 2.95Å; S200-Q202 PolarHBondContact O-N 3.38Å
203	I	95.9	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-133.5	111.3	170.2	-57.4	166	0	0	0	107.2	S197 V198 S201 N205 A209 F213 E428	S197-I203 PolarHBondContact O-N 3.21Å; S197-I203 VanDerWaalsContact O-N 3.16Å; V198-I203 WeakPolarHBondContact CA-O 3.5Å; S201-I203 VanDerWaalsContact C-N 3.35Å; I203-N205 WeakPolarHBondContact CG2-O 3.41Å; I203-A209 HydrophobicContact CB-CB 4.1Å; I203-A209 HydrophobicContact CD1-CB 4.33Å; I203-A209 HydrophobicContact CG2-CB 3.9Å; I203-F213 HydrophobicContact CD1-CB 4.42Å; I203-F213 HydrophobicContact CD1-CD2 3.86Å; I203-E428 WeakPolarHBondContact CD1-OE2 3.3Å; I203-E428 HydrophobicContact CG2-CB 3.89Å
204	R	95.4	Very high	96.8	Very high	123 Å²	123	36.6 Å²	36.6	46%	0.464	17%	0.174	S	C	.	.			trans	-77.3	-24.7	-173.7	-60.7	179.3	179	-157.1	-4.8	112.7	R421 D429	R204-R421 PolarHBondContact NH1-O 3.14Å; R204-D429 HydrophobicContact CB-CB 4.28Å; R204-D429 WeakPolarHBondContact CB-OD1 3.32Å; R204-D429 PolarHBondContact N-OD1 3.31Å; R204-D429 IonicContact NE-OD2 3.86Å
205	N	96.7	Very high	96.8	Very high	41 Å²	41	36.6 Å²	36.6	22%	0.219	17%	0.174	C	C	.	.			trans	-91.5	118.9	179.3	-172.2	-72.1	0	0	0	111.2	I203 N207 S208 A209 E428	I203-N205 WeakPolarHBondContact CG2-O 3.41Å; N205-N207 PolarHBondContact O-N 3.12Å; N205-N207 WeakPolarHBondContact OD1-CA 3.5Å; N205-N207 WeakPolarHBondContact OD1-CB 3.45Å; N205-N207 PolarHBondContact OD1-N 3.11Å; N205-S208 PolarHBondContact O-N 2.87Å; N205-S208 PolarHBondContact OD1-N 3.38Å; N205-S208 PolarHBondContact OD1-OG 3.45Å; N205-A209 WeakPolarHBondContact O-CB 3.46Å; N205-A209 PolarHBondContact O-N 3.2Å; N205-E428 WeakPolarHBondContact CB-O 3.45Å
206	V	97.3	Very high	96.9	Very high	17 Å²	17	35.3 Å²	35.3	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-39.7	-177.9	179	0	0	0	0	112.3	E25 Y27 V198 A209 R210	E25-V206 WeakPolarHBondContact OE2-CG2 3.35Å; Y27-V206 HydrophobicContact CD1-CG1 4.28Å; Y27-V206 HydrophobicContact CE1-CG1 4.32Å; Y27-V206 HydrophobicContact CE1-CG2 4.4Å; V198-V206 HydrophobicContact CG1-CG2 3.94Å; V198-V206 HydrophobicContact CG2-CG2 4.16Å; V206-A209 PolarHBondContact O-N 3.07Å; V206-R210 HydrophobicContact CG1-CG 4.18Å; V206-R210 WeakPolarHBondContact O-CG 3.44Å; V206-R210 PolarHBondContact O-N 3.4Å
207	N	97.2	Very high	96.9	Very high	85 Å²	85	32.5 Å²	32.5	46%	0.455	16%	0.158	S	C	.	.	H	α-helix	trans	-64.6	-43.7	180	-67.3	-23.1	0	0	0	111.3	N205 R210	N205-N207 PolarHBondContact O-N 3.12Å; N205-N207 WeakPolarHBondContact OD1-CA 3.5Å; N205-N207 WeakPolarHBondContact OD1-CB 3.45Å; N205-N207 PolarHBondContact OD1-N 3.11Å; N207-R210 PolarHBondContact O-N 3.39Å
208	S	98.3	Very high	97	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-49.6	173.1	-56.3	0	0	0	0	110.7	N205 R210 V211 S212 E428	N205-S208 PolarHBondContact O-N 2.87Å; N205-S208 PolarHBondContact OD1-N 3.38Å; N205-S208 PolarHBondContact OD1-OG 3.45Å; S208-R210 VanDerWaalsContact C-N 3.31Å; S208-R210 PolarHBondContact O-N 3.32Å; S208-V211 VanDerWaalsContact O-CG1 3.3Å; S208-V211 WeakPolarHBondContact O-CG1 3.41Å; S208-V211 PolarHBondContact O-N 3.47Å; S208-S212 WeakPolarHBondContact O-CB 3.42Å; S208-S212 PolarHBondContact O-N 3Å; S208-S212 PolarHBondContact O-OG 3.08Å; S208-E428 WeakPolarHBondContact CB-O 3.25Å; S208-E428 PolarHBondContact OG-O 2.95Å
209	A	98.2	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-39.3	-178.7	0	0	0	0	0	113.2	I194 V198 I203 N205 V206 V211 F213	I194-A209 HydrophobicContact CG2-CB 4.11Å; V198-A209 HydrophobicContact CG2-CB 3.66Å; I203-A209 HydrophobicContact CB-CB 4.1Å; I203-A209 HydrophobicContact CD1-CB 4.33Å; I203-A209 HydrophobicContact CG2-CB 3.9Å; N205-A209 WeakPolarHBondContact O-CB 3.46Å; N205-A209 PolarHBondContact O-N 3.2Å; V206-A209 PolarHBondContact O-N 3.07Å; A209-V211 VanDerWaalsContact C-N 3.3Å; A209-V211 PolarHBondContact O-N 3.37Å; A209-F213 WeakPolarHBondContact O-CB 2.91Å; A209-F213 PolarHBondContact O-N 3.15Å; A209-F213 VanDerWaalsContact O-N 3.09Å
210	R	98.1	Very high	97	Very high	60 Å²	60	31 Å²	31	23%	0.226	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-31.6	-178.8	-73.6	170.1	71.4	-156.2	-1.2	113.5	S26 D28 P29 V30 I194 V206 N207 S208	S26-R210 VanDerWaalsContact O-CD 3.32Å; S26-R210 WeakPolarHBondContact O-CD 3.39Å; D28-R210 PolarHBondContact O-NE 3.41Å; D28-R210 PolarHBondContact O-NH2 3.34Å; P29-R210 WeakPolarHBondContact CA-O 3.31Å; V30-R210 HydrophobicContact CB-CB 4.41Å; V30-R210 HydrophobicContact CG2-CB 4.12Å; V30-R210 VanDerWaalsContact CG2-NH2 3.3Å; V30-R210 PolarHBondContact N-O 2.91Å; I194-R210 HydrophobicContact CG2-CG 4.06Å; V206-R210 HydrophobicContact CG1-CG 4.18Å; V206-R210 WeakPolarHBondContact O-CG 3.44Å; V206-R210 PolarHBondContact O-N 3.4Å; N207-R210 PolarHBondContact O-N 3.39Å; S208-R210 VanDerWaalsContact C-N 3.31Å; S208-R210 PolarHBondContact O-N 3.32Å
211	V	98.2	Very high	97.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-95.3	-38.1	178.2	62.8	0	0	0	0	112.6	V30 Y35 L72 A75 V76 S208 A209	V30-V211 HydrophobicContact CB-CB 4.44Å; Y35-V211 HydrophobicContact CD2-CB 4.09Å; Y35-V211 HydrophobicContact CD2-CG1 4.19Å; Y35-V211 HydrophobicContact CD2-CG2 3.7Å; Y35-V211 HydrophobicContact CE2-CB 3.77Å; Y35-V211 HydrophobicContact CE2-CG1 3.86Å; Y35-V211 HydrophobicContact CE2-CG2 3.91Å; L72-V211 WeakPolarHBondContact CD1-O 3.28Å; A75-V211 HydrophobicContact CB-CB 4.4Å; A75-V211 HydrophobicContact CB-CG1 3.65Å; A75-V211 HydrophobicContact CB-CG2 3.81Å; V76-V211 HydrophobicContact CG2-CG1 4.21Å; S208-V211 VanDerWaalsContact O-CG1 3.3Å; S208-V211 WeakPolarHBondContact O-CG1 3.41Å; S208-V211 PolarHBondContact O-N 3.47Å; A209-V211 VanDerWaalsContact C-N 3.3Å; A209-V211 PolarHBondContact O-N 3.37Å
212	S	98.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-87	-38.1	-170.5	71.8	0	0	0	0	113.7	L72 S208 G215 E428	L72-S212 WeakPolarHBondContact O-CB 3.26Å; S208-S212 WeakPolarHBondContact O-CB 3.42Å; S208-S212 PolarHBondContact O-N 3Å; S208-S212 PolarHBondContact O-OG 3.08Å; S212-G215 PolarHBondContact O-N 3.18Å; S212-E428 VanDerWaalsContact CB-OE2 3.22Å; S212-E428 WeakPolarHBondContact CB-OE2 3.27Å; S212-E428 PolarHBondContact OG-OE2 3.47Å
213	F	98.3	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.1	-36	-170.5	-158.5	-105.6	0	0	0	114	A193 I194 W196 S197 I203 A209 G215 Q216 L217 W362	A193-F213 VanDerWaalsContact C-CE1 3.48Å; A193-F213 HydrophobicContact CB-CD1 4.05Å; A193-F213 HydrophobicContact CB-CE1 3.73Å; A193-F213 WeakPolarHBondContact O-CE1 3.41Å; I194-F213 HydrophobicContact CG1-CB 4.14Å; I194-F213 HydrophobicContact CG1-CD1 4.35Å; W196-F213 HydrophobicContact CE3-CE1 4.43Å; W196-F213 AromaticContact CE3-CZ 3.8Å; W196-F213 HydrophobicContact CE3-CZ 3.8Å; W196-F213 HydrophobicContact CZ3-CE2 4.25Å; W196-F213 AromaticContact CZ3-CZ 3.72Å; W196-F213 HydrophobicContact CZ3-CZ 3.72Å; S197-F213 VanDerWaalsContact CB-CD2 3.41Å; I203-F213 HydrophobicContact CD1-CB 4.42Å; I203-F213 HydrophobicContact CD1-CD2 3.86Å; A209-F213 WeakPolarHBondContact O-CB 2.91Å; A209-F213 PolarHBondContact O-N 3.15Å; A209-F213 VanDerWaalsContact O-N 3.09Å; F213-G215 PolarHBondContact O-N 3.41Å; F213-Q216 WeakPolarHBondContact O-CB 3.41Å; F213-Q216 PolarHBondContact O-N 3.47Å; F213-L217 HydrophobicContact CD1-CD1 4.17Å; F213-L217 HydrophobicContact CE1-CD1 4.11Å; F213-W362 HydrophobicContact CE2-CH2 4.17Å; F213-W362 HydrophobicContact CE2-CZ3 4.15Å; F213-W362 AromaticContact CZ-CH2 3.7Å; F213-W362 HydrophobicContact CZ-CH2 3.7Å; F213-W362 AromaticContact CZ-CZ3 3.87Å; F213-W362 HydrophobicContact CZ-CZ3 3.87Å
214	P	98.1	Very high	97.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-53.6	-33.1	170.1	-28.2	36.8	0	0	0	113.6	P29 L190 I194 Q216 L217 A226 T227	P29-P214 HydrophobicContact CB-CG 3.94Å; L190-P214 HydrophobicContact CD1-CB 4.5Å; I194-P214 HydrophobicContact CD1-CG 4.27Å; P214-Q216 PolarHBondContact O-N 3.18Å; P214-Q216 VanDerWaalsContact O-N 3.09Å; P214-L217 PolarHBondContact O-N 3.29Å; P214-L217 VanDerWaalsContact O-N 3.11Å; P214-A226 HydrophobicContact CB-CB 4.31Å; P214-A226 WeakPolarHBondContact O-CB 3.23Å; P214-T227 HydrophobicContact CB-CG2 4.45Å
215	G	98	Very high	97.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63	-14.4	176.5	0	0	0	0	0	114.8	S212 F213	S212-G215 PolarHBondContact O-N 3.18Å; F213-G215 PolarHBondContact O-N 3.41Å
216	Q	98.3	Very high	97.3	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-94.5	-0.2	179.7	-50.3	-174.1	21.5	0	0	112.7	G68 F213 P214 W362 R363	G68-Q216 WeakPolarHBondContact O-CG 3.49Å; F213-Q216 WeakPolarHBondContact O-CB 3.41Å; F213-Q216 PolarHBondContact O-N 3.47Å; P214-Q216 PolarHBondContact O-N 3.18Å; P214-Q216 VanDerWaalsContact O-N 3.09Å; Q216-W362 HydrophobicContact CB-CE3 4.4Å; Q216-W362 HydrophobicContact CB-CZ3 4.26Å; Q216-R363 WeakPolarHBondContact O-CB 3.42Å; Q216-R363 PolarHBondContact O-N 3.33Å
217	L	98.4	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.3	-169.8	-57.8	177.9	0	0	0	112.8	F187 L190 A193 F213 P214 A226 T361 W362	F187-L217 HydrophobicContact CD2-CD1 4.38Å; F187-L217 HydrophobicContact CD2-CD2 3.9Å; F187-L217 HydrophobicContact CE2-CD2 3.82Å; L190-L217 HydrophobicContact CD2-CD1 3.96Å; A193-L217 HydrophobicContact CB-CD1 3.53Å; F213-L217 HydrophobicContact CD1-CD1 4.17Å; F213-L217 HydrophobicContact CE1-CD1 4.11Å; P214-L217 PolarHBondContact O-N 3.29Å; P214-L217 VanDerWaalsContact O-N 3.11Å; L217-A226 HydrophobicContact CB-CB 3.95Å; L217-A226 PolarHBondContact O-N 2.77Å; L217-T361 CarbonylContact C-O 3.57Å; L217-T361 VanDerWaalsContact CA-O 3.31Å; L217-T361 WeakPolarHBondContact CA-O 3.47Å; L217-W362 HydrophobicContact CD2-CD2 4.48Å; L217-W362 HydrophobicContact CD2-CE3 4.06Å; L217-W362 HydrophobicContact CD2-CZ3 4.37Å
218	K	97.7	Very high	97.1	Very high	66 Å²	66	28.2 Å²	28.2	29%	0.287	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.2	168.3	68	-176	175.8	-160	0	111	Q224 Y360 T361 W362 R363	K218-Q224 CarbonylContact C-O 3.58Å; K218-Q224 WeakPolarHBondContact CA-O 3.31Å; K218-Q224 VanDerWaalsContact CB-O 3.32Å; K218-Q224 WeakPolarHBondContact CB-O 3.38Å; K218-Y360 CarbonylContact O-C 3.45Å; K218-Y360 WeakPolarHBondContact O-CA 3.24Å; K218-T361 HydrophobicContact CG-CG2 3.95Å; K218-T361 PolarHBondContact N-O 3.28Å; K218-T361 PolarHBondContact O-N 2.98Å; K218-W362 WeakPolarHBondContact CE-O 3.21Å; K218-R363 PolarHBondContact NZ-O 2.83Å
219	R	97.1	Very high	96.9	Very high	14 Å²	14	28.4 Å²	28.4	5%	0.053	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.3	171.7	175.4	124.9	-54.1	-83	-23.6	110	T221 T222 G223 Q224 E229 Q359 Y360	R219-T221 VanDerWaalsContact C-N 3.34Å; R219-T221 WeakPolarHBondContact CD-OG1 3.46Å; R219-T221 WeakPolarHBondContact CG-OG1 3.36Å; R219-T221 PolarHBondContact O-N 2.88Å; R219-T222 VanDerWaalsContact CB-OG1 3.27Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 HydrophobicContact CG-CG2 4.12Å; R219-T222 VanDerWaalsContact CG-OG1 3.31Å; R219-T222 WeakPolarHBondContact CG-OG1 3.47Å; R219-G223 VanDerWaalsContact O-CA 3.27Å; R219-G223 WeakPolarHBondContact O-CA 3.26Å; R219-G223 PolarHBondContact O-N 2.69Å; R219-Q224 PolarHBondContact N-O 3.4Å; R219-E229 WeakPolarHBondContact CB-OE1 3.3Å; R219-E229 WeakPolarHBondContact CD-OE1 3.47Å; R219-E229 IonicContact NE-OE1 3.96Å; R219-E229 PolarHBondContact NE-OE1 3.31Å; R219-E229 IonicContact NE-OE2 3.24Å; R219-E229 PolarHBondContact NE-OE2 3Å; R219-E229 VanDerWaalsContact NE-OE2 3.17Å; R219-Q359 PolarHBondContact NH1-O 2.92Å; R219-Q359 VanDerWaalsContact NH1-O 3.1Å; R219-Q359 PolarHBondContact NH2-O 3.37Å; R219-Y360 HydrophobicContact CB-CE1 4.45Å
220	I	96.7	Very high	96.8	Very high	82 Å²	82	29.3 Å²	29.3	42%	0.421	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.2	176.7	-68.6	168.9	0	0	0	111.1	P358 Q359 T361	I220-P358 HydrophobicContact CD1-CB 4.13Å; I220-Q359 PolarHBondContact N-O 3.04Å; I220-T361 HydrophobicContact CG1-CG2 3.85Å
221	T	95.2	Very high	96.5	Very high	112 Å²	112	28.4 Å²	28.4	69%	0.687	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-33.9	-171.7	52.5	0	0	0	0	114.4	R219	R219-T221 VanDerWaalsContact C-N 3.34Å; R219-T221 WeakPolarHBondContact CD-OG1 3.46Å; R219-T221 WeakPolarHBondContact CG-OG1 3.36Å; R219-T221 PolarHBondContact O-N 2.88Å
222	T	94.6	Very high	96.3	Very high	78 Å²	78	32.4 Å²	32.4	48%	0.479	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-16.6	-173.9	65.9	0	0	0	0	112.7	R219 Q224	R219-T222 VanDerWaalsContact CB-OG1 3.27Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 HydrophobicContact CG-CG2 4.12Å; R219-T222 VanDerWaalsContact CG-OG1 3.31Å; R219-T222 WeakPolarHBondContact CG-OG1 3.47Å; T222-Q224 PolarHBondContact O-N 3.19Å; T222-Q224 VanDerWaalsContact O-N 3.14Å; T222-Q224 WeakPolarHBondContact OG1-CB 3.22Å; T222-Q224 PolarHBondContact OG1-N 3.39Å
223	G	94.7	Very high	96	Very high	43 Å²	43	35.5 Å²	35.5	44%	0.443	22%	0.222	S	C	.	.			trans	68.7	-2	-170.7	0	0	0	0	0	114.4	R219	R219-G223 VanDerWaalsContact O-CA 3.27Å; R219-G223 WeakPolarHBondContact O-CA 3.26Å; R219-G223 PolarHBondContact O-N 2.69Å
224	Q	95.6	Very high	95.8	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	25%	0.249	S	C	.	.			trans	-68.9	143.3	179.4	-64.6	-62.9	-30.5	0	0	110.5	K218 R219 T222 E229	K218-Q224 CarbonylContact C-O 3.58Å; K218-Q224 WeakPolarHBondContact CA-O 3.31Å; K218-Q224 VanDerWaalsContact CB-O 3.32Å; K218-Q224 WeakPolarHBondContact CB-O 3.38Å; R219-Q224 PolarHBondContact N-O 3.4Å; T222-Q224 PolarHBondContact O-N 3.19Å; T222-Q224 VanDerWaalsContact O-N 3.14Å; T222-Q224 WeakPolarHBondContact OG1-CB 3.22Å; T222-Q224 PolarHBondContact OG1-N 3.39Å; Q224-E229 HydrophobicContact CB-CG 4.37Å
225	T	97.4	Very high	95.5	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.031	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-63	145.6	174.7	53	0	0	0	0	110.8	G98 D99 T227 N228 E229	G98-T225 WeakPolarHBondContact O-CG2 3.35Å; D99-T225 VanDerWaalsContact OD1-CB 3.22Å; D99-T225 WeakPolarHBondContact OD1-CB 3.35Å; D99-T225 VanDerWaalsContact OD1-CG2 3.24Å; D99-T225 WeakPolarHBondContact OD1-CG2 3.41Å; D99-T225 PolarHBondContact OD1-OG1 2.92Å; T225-T227 WeakPolarHBondContact CB-OG1 3.24Å; T225-T227 PolarHBondContact O-N 2.89Å; T225-T227 PolarHBondContact OG1-OG1 2.71Å; T225-N228 PolarHBondContact O-N 2.54Å; T225-N228 WeakPolarHBondContact OG1-CB 3.47Å; T225-N228 VanDerWaalsContact OG1-CG 3.25Å; T225-N228 PolarHBondContact OG1-N 3.08Å; T225-N228 PolarHBondContact OG1-ND2 3.1Å; T225-E229 PolarHBondContact O-N 2.68Å; T225-E229 VanDerWaalsContact O-N 3.14Å
226	A	97.5	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-26.3	176.8	0	0	0	0	0	112.4	L190 P214 L217 E229 L230 Y360	L190-A226 HydrophobicContact CD1-CB 4.18Å; L190-A226 HydrophobicContact CD2-CB 3.57Å; P214-A226 HydrophobicContact CB-CB 4.31Å; P214-A226 WeakPolarHBondContact O-CB 3.23Å; L217-A226 HydrophobicContact CB-CB 3.95Å; L217-A226 PolarHBondContact O-N 2.77Å; A226-E229 PolarHBondContact O-N 2.95Å; A226-L230 VanDerWaalsContact O-CB 3.3Å; A226-L230 WeakPolarHBondContact O-CB 3.33Å; A226-L230 PolarHBondContact O-N 2.91Å; A226-Y360 HydrophobicContact CB-CD1 4.05Å; A226-Y360 HydrophobicContact CB-CE1 3.8Å
227	T	96.1	Very high	94.7	Very high	6 Å²	6	47 Å²	47	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-46	172.4	47.3	0	0	0	0	112.1	L72 D99 P214 T225 E229 L230 D231	L72-T227 HydrophobicContact CD1-CG2 3.53Å; D99-T227 VanDerWaalsContact CG-OG1 3.24Å; D99-T227 PolarHBondContact OD1-OG1 3.06Å; D99-T227 WeakPolarHBondContact OD2-CB 3.45Å; D99-T227 PolarHBondContact OD2-OG1 3.22Å; P214-T227 HydrophobicContact CB-CG2 4.45Å; T225-T227 WeakPolarHBondContact CB-OG1 3.24Å; T225-T227 PolarHBondContact O-N 2.89Å; T225-T227 PolarHBondContact OG1-OG1 2.71Å; T227-E229 PolarHBondContact O-N 2.97Å; T227-L230 PolarHBondContact O-N 3.29Å; T227-D231 PolarHBondContact O-N 3.22Å
228	N	94.5	Very high	93.8	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-37.2	175.8	-74.4	-33	0	0	0	112.3	R39 D99 T225 D231 S232	R39-N228 PolarHBondContact NH2-OD1 3.37Å; D99-N228 PolarHBondContact OD1-ND2 2.76Å; T225-N228 PolarHBondContact O-N 2.54Å; T225-N228 WeakPolarHBondContact OG1-CB 3.47Å; T225-N228 VanDerWaalsContact OG1-CG 3.25Å; T225-N228 PolarHBondContact OG1-N 3.08Å; T225-N228 PolarHBondContact OG1-ND2 3.1Å; N228-D231 PolarHBondContact O-N 3.28Å; N228-S232 VanDerWaalsContact O-CB 3.31Å; N228-S232 WeakPolarHBondContact O-CB 3.38Å; N228-S232 PolarHBondContact O-N 2.83Å; N228-S232 PolarHBondContact O-OG 3.49Å
229	E	94.8	Very high	92.1	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-39.4	174.4	-68.8	-163.8	163.7	0	0	112.4	R219 Q224 T225 A226 T227 S232 G233 I234 A235 Y360	R219-E229 WeakPolarHBondContact CB-OE1 3.3Å; R219-E229 WeakPolarHBondContact CD-OE1 3.47Å; R219-E229 IonicContact NE-OE1 3.96Å; R219-E229 PolarHBondContact NE-OE1 3.31Å; R219-E229 IonicContact NE-OE2 3.24Å; R219-E229 PolarHBondContact NE-OE2 3Å; R219-E229 VanDerWaalsContact NE-OE2 3.17Å; Q224-E229 HydrophobicContact CB-CG 4.37Å; T225-E229 PolarHBondContact O-N 2.68Å; T225-E229 VanDerWaalsContact O-N 3.14Å; A226-E229 PolarHBondContact O-N 2.95Å; T227-E229 PolarHBondContact O-N 2.97Å; E229-S232 PolarHBondContact O-N 3.12Å; E229-G233 PolarHBondContact O-N 3.43Å; E229-I234 HydrophobicContact CB-CG1 3.91Å; E229-I234 HydrophobicContact CG-CD1 4.17Å; E229-I234 HydrophobicContact CG-CG1 4.02Å; E229-I234 PolarHBondContact O-N 2.99Å; E229-A235 HydrophobicContact CB-CB 4.1Å; E229-A235 PolarHBondContact O-N 3.38Å; E229-Y360 WeakPolarHBondContact OE2-CE1 3.46Å; E229-Y360 PolarHBondContact OE2-OH 3.4Å
230	L	94.5	Very high	89.8	Confident	20 Å²	20	53.2 Å²	53.2	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-43.4	176.9	-174.6	66	0	0	0	111	P29 K31 A226 T227 G233 A235	P29-L230 HydrophobicContact CB-CD1 4.01Å; P29-L230 HydrophobicContact CB-CD2 3.96Å; P29-L230 HydrophobicContact CG-CD1 3.66Å; K31-L230 WeakPolarHBondContact CE-O 3.38Å; K31-L230 HydrophobicContact CG-CD2 4.14Å; K31-L230 HydrophobicContact CG-CG 4.09Å; K31-L230 PolarHBondContact NZ-O 3.37Å; A226-L230 VanDerWaalsContact O-CB 3.3Å; A226-L230 WeakPolarHBondContact O-CB 3.33Å; A226-L230 PolarHBondContact O-N 2.91Å; T227-L230 PolarHBondContact O-N 3.29Å; L230-G233 PolarHBondContact O-N 2.89Å; L230-A235 HydrophobicContact CB-CB 4.44Å; L230-A235 HydrophobicContact CD1-CB 4.38Å
231	D	93.5	Very high	87.5	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.214	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-39.3	177.7	-80.4	-7.6	0	0	0	112	K31 W32 R39 T227 N228 G233	K31-D231 PolarHBondContact NZ-O 3.44Å; W32-D231 PolarHBondContact NE1-OD1 3.15Å; W32-D231 PolarHBondContact NE1-OD2 2.96Å; R39-D231 IonicContact CZ-OD2 3.34Å; R39-D231 IonicContact NH1-OD2 3.17Å; R39-D231 PolarHBondContact NH1-OD2 3.32Å; T227-D231 PolarHBondContact O-N 3.22Å; N228-D231 PolarHBondContact O-N 3.28Å; D231-G233 PolarHBondContact O-N 3.19Å
232	S	93.3	Very high	84.8	Confident	86 Å²	86	54 Å²	54	60%	0.601	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.8	178.4	-52.1	0	0	0	0	113.9	N228 E229 I234	N228-S232 VanDerWaalsContact O-CB 3.31Å; N228-S232 WeakPolarHBondContact O-CB 3.38Å; N228-S232 PolarHBondContact O-N 2.83Å; N228-S232 PolarHBondContact O-OG 3.49Å; E229-S232 PolarHBondContact O-N 3.12Å; S232-I234 VanDerWaalsContact C-N 3.3Å; S232-I234 PolarHBondContact O-N 3.43Å
233	G	92.6	Very high	82.1	Confident	65 Å²	65	55.5 Å²	55.5	67%	0.67	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	18.7	179	0	0	0	0	0	114.8	E229 L230 D231	E229-G233 PolarHBondContact O-N 3.43Å; L230-G233 PolarHBondContact O-N 2.89Å; D231-G233 PolarHBondContact O-N 3.19Å
234	I	93	Very high	79.2	Confident	112 Å²	112	60.8 Å²	60.8	57%	0.574	37%	0.369	S	S	*	.			trans	-110.4	2.6	-177.8	65.5	175.1	0	0	0	113.2	E229 S232	E229-I234 HydrophobicContact CB-CG1 3.91Å; E229-I234 HydrophobicContact CG-CD1 4.17Å; E229-I234 HydrophobicContact CG-CG1 4.02Å; E229-I234 PolarHBondContact O-N 2.99Å; S232-I234 VanDerWaalsContact C-N 3.3Å; S232-I234 PolarHBondContact O-N 3.43Å
235	A	92.5	Very high	76.3	Confident	16 Å²	16	62 Å²	62	13%	0.132	39%	0.385	C	S	.	.			trans	-60.9	144.3	178.1	0	0	0	0	0	112.1	L190 E229 L230 L237 Y360	L190-A235 HydrophobicContact CD1-CB 3.76Å; E229-A235 HydrophobicContact CB-CB 4.1Å; E229-A235 PolarHBondContact O-N 3.38Å; L230-A235 HydrophobicContact CB-CB 4.44Å; L230-A235 HydrophobicContact CD1-CB 4.38Å; A235-L237 HydrophobicContact CB-CD2 4.21Å; A235-L237 PolarHBondContact O-N 3.25Å; A235-Y360 WeakPolarHBondContact CA-OH 3.38Å
236	V	90	Very high	73.3	Confident	35 Å²	35	66.7 Å²	66.7	21%	0.212	42%	0.417	C	S	.	.			trans	-80.4	107.5	176.8	-174.9	0	0	0	0	109.2	S189 L190 Q359 Y360	S189-V236 VanDerWaalsContact CB-O 3.32Å; S189-V236 WeakPolarHBondContact CB-O 3.49Å; L190-V236 PolarHBondContact N-O 3.45Å; L190-V236 VanDerWaalsContact N-O 3.1Å; V236-Q359 HydrophobicContact CG1-CG 4.47Å; V236-Y360 HydrophobicContact CB-CE2 3.98Å; V236-Y360 HydrophobicContact CG2-CE2 4.44Å; V236-Y360 PolarHBondContact N-OH 3.02Å
237	L	89	Confident	70.3	Confident	86 Å²	86	74.5 Å²	74.5	45%	0.45	46%	0.458	S	S	.	.			trans	-103.8	-12.5	-176.8	-56.5	-177	0	0	0	114.1	P29 P191 A235 K239	P29-L237 HydrophobicContact CG-CD2 3.52Å; P191-L237 WeakPolarHBondContact CG-O 3.42Å; A235-L237 HydrophobicContact CB-CD2 4.21Å; A235-L237 PolarHBondContact O-N 3.25Å; L237-K239 PolarHBondContact O-N 3.13Å
238	S	80.1	Confident	67.3	Low	71 Å²	71	80.4 Å²	80.4	50%	0.497	50%	0.495	S	S	.	.			trans	-74.2	130.4	-177	55.6	0	0	0	0	112	S189 A240	S189-S238 WeakPolarHBondContact CB-O 3.49Å; S189-S238 PolarHBondContact OG-O 2.61Å; S238-A240 VanDerWaalsContact C-N 3.3Å; S238-A240 PolarHBondContact O-N 3.44Å
239	K	60.8	Low	64.5	Low	98 Å²	98	83.8 Å²	83.8	43%	0.426	52%	0.52	S	S	.	.			trans	-83.4	70.6	165.7	-65	-169.6	-175.6	-163.8	0	109.4	P191 E195 L237 V241	P191-K239 HydrophobicContact CB-CG 4.23Å; E195-K239 IonicContact OE1-NZ 3.05Å; E195-K239 IonicContact OE2-NZ 3.07Å; E195-K239 PolarHBondContact OE2-NZ 3.1Å; L237-K239 PolarHBondContact O-N 3.13Å; K239-V241 VanDerWaalsContact C-N 3.27Å; K239-V241 PolarHBondContact O-N 2.98Å
240	A	49.1	Very low	61.7	Low	42 Å²	42	90.2 Å²	90.2	35%	0.347	56%	0.56	S	S	.	*			trans	-73	90.4	167.2	0	0	0	0	0	108.3	S238	S238-A240 VanDerWaalsContact C-N 3.3Å; S238-A240 PolarHBondContact O-N 3.44Å
241	V	48.1	Very low	58.8	Low	114 Å²	114	97.1 Å²	97.1	69%	0.691	60%	0.597	S	S	*	*			trans	-76.3	133.2	163.5	-178.6	0	0	0	0	106.6	K239 S243	K239-V241 VanDerWaalsContact C-N 3.27Å; K239-V241 PolarHBondContact O-N 2.98Å; V241-S243 PolarHBondContact O-N 2.99Å
242	P	40.2	Very low	56	Low	96 Å²	96	103.2 Å²	103.2	62%	0.623	63%	0.629	S	S	*	*			trans	-62.1	112.2	172	-13.7	26.5	0	0	0	108.8	I244	P242-I244 PolarHBondContact O-N 2.71Å
243	S	36.6	Very low	53.1	Low	110 Å²	110	103.1 Å²	103.1	77%	0.769	64%	0.642	S	S	*	*			trans	-67.4	111	159.6	34.3	0	0	0	0	107.3	V241 P245	V241-S243 PolarHBondContact O-N 2.99Å; S243-P245 WeakPolarHBondContact O-CD 3.45Å
244	I	35.1	Very low	50.1	Low	154 Å²	154	103.7 Å²	103.7	79%	0.79	65%	0.647	S	S	*	*			trans	-61.9	126.1	168.1	-58.6	173.3	0	0	0	106.7	P242 S246	P242-I244 PolarHBondContact O-N 2.71Å; I244-S246 PolarHBondContact O-N 2.85Å; I244-S246 VanDerWaalsContact O-N 3.17Å
245	P	34.9	Very low	47.1	Very low	112 Å²	112	105.3 Å²	105.3	73%	0.727	66%	0.662	S	S	*	*			trans	-62	121.2	171.9	-15.7	28.5	0	0	0	108.5	S243 L247	S243-P245 WeakPolarHBondContact O-CD 3.45Å; P245-L247 PolarHBondContact O-N 2.77Å
246	S	33.2	Very low	44.1	Very low	102 Å²	102	110.4 Å²	110.4	71%	0.713	70%	0.695	S	S	*	*			trans	-59.9	110.1	168.3	51.5	0	0	0	0	108.6	I244 T248	I244-S246 PolarHBondContact O-N 2.85Å; I244-S246 VanDerWaalsContact O-N 3.17Å; S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 3.36Å
247	L	34.2	Very low	41.2	Very low	165 Å²	165	114.1 Å²	114.1	86%	0.864	72%	0.723	S	S	*	*			trans	-67.3	89.7	167	-85.6	156.9	0	0	0	108.7	P245 S249	P245-L247 PolarHBondContact O-N 2.77Å; L247-S249 PolarHBondContact O-N 2.78Å; L247-S249 VanDerWaalsContact O-N 3.08Å
248	T	34.2	Very low	38.6	Very low	130 Å²	130	116.8 Å²	116.8	80%	0.798	74%	0.743	S	S	*	*			trans	-72	88.7	153.9	49.9	0	0	0	0	107.1	S246	S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 3.36Å
249	S	34.6	Very low	36.2	Very low	99 Å²	99	118.1 Å²	118.1	69%	0.692	75%	0.752	S	S	*	*			trans	-86.6	115.6	163.1	53.7	0	0	0	0	107.9	L247 L251	L247-S249 PolarHBondContact O-N 2.78Å; L247-S249 VanDerWaalsContact O-N 3.08Å; S249-L251 PolarHBondContact O-N 2.87Å
250	T	36.6	Very low	34.4	Very low	142 Å²	142	124.6 Å²	124.6	87%	0.871	77%	0.774	S	S	*	*			trans	-57	125.3	160.3	23.4	0	0	0	0	108.6	D252	T250-D252 PolarHBondContact O-N 2.9Å
251	L	33.7	Very low	33.4	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	80%	0.799	S	S	*	*			trans	-52.2	125.6	177.9	-69.4	147.8	0	0	0	111.2	S249	S249-L251 PolarHBondContact O-N 2.87Å
252	D	35	Very low	32.5	Very low	167 Å²	167	130.4 Å²	130.4	89%	0.893	80%	0.802	S	S	*	*			trans	-160.9	121	132.4	-103.1	-21.2	0	0	0	111.2	T250	T250-D252 PolarHBondContact O-N 2.9Å
253	G	31.8	Very low	32.1	Very low	85 Å²	85	131.1 Å²	131.1	88%	0.876	81%	0.81	S	S	*	*	S	Bend	trans	63.3	90.1	150.5	0	0	0	0	0	119.3
254	G	30.3	Very low	31.8	Very low	76 Å²	76	134 Å²	134	78%	0.784	81%	0.811	S	S	*	*			trans	170.4	86.3	160.9	0	0	0	0	0	114	C256	G254-C256 PolarHBondContact O-N 3.2Å
255	V	29.5	Very low	31.6	Very low	147 Å²	147	132.3 Å²	132.3	89%	0.891	81%	0.81	S	S	*	*			trans	-68.8	116.9	174.9	-178.4	0	0	0	0	109.5
256	C	28.6	Very low	31.4	Very low	122 Å²	122	135.3 Å²	135.3	82%	0.824	82%	0.819	S	S	*	*			trans	-138.2	109.3	156.9	-102.9	0	0	0	0	109.5	G254	G254-C256 PolarHBondContact O-N 3.2Å
257	S	30.3	Very low	31.4	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	82%	0.818	S	S	*	*			trans	-67.6	121.9	173	50.2	0	0	0	0	110.7
258	V	32.9	Very low	31.3	Very low	143 Å²	143	137 Å²	137	87%	0.867	82%	0.819	S	S	*	*			trans	-114.2	102.3	161.8	-169.8	0	0	0	0	107.9
259	S	30	Very low	31.1	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	82%	0.817	S	S	*	*			trans	-77	134.6	171.3	45.8	0	0	0	0	111.1
260	R	24.2	Very low	31.1	Very low	235 Å²	235	138.3 Å²	138.3	89%	0.887	82%	0.822	S	S	*	*			trans	38.2	128.5	149.5	-63.1	-177.9	-165.6	-161.4	2.7	118.6
261	L	28.4	Very low	30.8	Very low	169 Å²	169	140.8 Å²	140.8	89%	0.885	82%	0.824	S	S	*	*				-151.9	102.2	121.7	-97.8	140.1	0	0	0	108.6
262	S	27.2	Very low	31	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	82%	0.821	S	S	*	*			trans	-79.7	120.6	161.2	162.5	0	0	0	0	106.6
263	S	32.5	Very low	30.8	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	81%	0.811	S	S	*	*			trans	-104.5	96.7	173.9	-26	0	0	0	0	107.8
264	Q	31.5	Very low	31	Very low	170 Å²	170	142 Å²	142	79%	0.794	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.4	150.9	163.8	-72.5	-172.8	-28.9	0	0	110
265	P	30.8	Very low	31	Very low	119 Å²	119	142.7 Å²	142.7	77%	0.773	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.2	131.7	168.8	7.6	8.2	0	0	0	109.7	V267	P265-V267 PolarHBondContact O-N 3.27Å
266	L	29.9	Very low	31.2	Very low	175 Å²	175	146.9 Å²	146.9	92%	0.916	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.2	120.4	171.5	-71.9	163.4	0	0	0	109.6
267	V	33.8	Very low	31.4	Very low	114 Å²	114	146 Å²	146	69%	0.691	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-99.8	118.3	159.7	177.4	0	0	0	0	105.7	P265 D269	P265-V267 PolarHBondContact O-N 3.27Å; V267-D269 PolarHBondContact O-N 3.42Å
268	E	31.4	Very low	31.6	Very low	188 Å²	188	146.2 Å²	146.2	88%	0.879	80%	0.799	S	S	*	*			trans	-84.1	103.1	167.4	-79.4	-177.8	157.7	0	0	108.2
269	D	29.9	Very low	31.5	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	80%	0.801	S	S	*	*			trans	-81.3	127	162.1	-73.8	-38.4	0	0	0	108.9	V267	V267-D269 PolarHBondContact O-N 3.42Å
270	S	34	Very low	31.8	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	81%	0.808	S	S	*	*			trans	-125.9	84	161.9	49.5	0	0	0	0	109
271	E	31.3	Very low	32.2	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	80%	0.802	S	S	*	*			trans	-80.8	117.3	159.2	-74.7	-171.2	151.3	0	0	108.6
272	I	37.4	Very low	32.4	Very low	155 Å²	155	143.6 Å²	143.6	80%	0.795	79%	0.79	S	S	*	*			trans	-102.3	110.4	161.1	-67.7	177.6	0	0	0	107.2
273	D	31.7	Very low	32.7	Very low	128 Å²	128	146.7 Å²	146.7	68%	0.684	79%	0.793	S	S	*	*			trans	-62.1	130.5	169.1	-166.6	-1.8	0	0	0	110.6	S275	D273-S275 PolarHBondContact OD1-OG 2.81Å
274	N	34.8	Very low	32.7	Very low	160 Å²	160	147.4 Å²	147.4	86%	0.856	79%	0.788	S	S	*	*			trans	-151.6	88.3	158.2	-107.5	-25.3	0	0	0	109.8
275	S	30.7	Very low	32.8	Very low	91 Å²	91	145.6 Å²	145.6	64%	0.636	78%	0.784	S	S	*	*			trans	-79.1	120.6	163.5	35.3	0	0	0	0	110.3	D273	D273-S275 PolarHBondContact OD1-OG 2.81Å
276	R	34.2	Very low	33	Very low	234 Å²	234	146.6 Å²	146.6	88%	0.883	78%	0.782	S	S	*	*			trans	-178.6	103.6	153.3	-101.4	163.3	-173.3	-154.9	3.2	108.5
277	S	32.4	Very low	33	Very low	105 Å²	105	146.5 Å²	146.5	73%	0.734	78%	0.776	S	S	*	*				102.7	136.9	83.5	-67.2	0	0	0	0	112.5
278	S	35.2	Very low	33.1	Very low	116 Å²	116	147.8 Å²	147.8	81%	0.811	78%	0.784	S	S	*	*			trans	81.7	107.6	157.9	60.1	0	0	0	0	120.9
279	Q	30.4	Very low	32.9	Very low	196 Å²	196	145.9 Å²	145.9	92%	0.916	78%	0.78	S	S	*	*			trans	-63.2	136.7	149	-60.9	165.9	-44.6	0	0	111.1
280	I	35.6	Very low	33.4	Very low	159 Å²	159	148.3 Å²	148.3	82%	0.815	79%	0.787	S	S	*	*			trans	-154	102.8	147.8	-56.6	-174.3	0	0	0	106
281	N	32.7	Very low	33.1	Very low	146 Å²	146	150.2 Å²	150.2	78%	0.781	79%	0.788	S	S	*	*				63.1	118.1	91.1	-109.2	9.5	0	0	0	117.8
282	S	34	Very low	33.3	Very low	90 Å²	90	146.9 Å²	146.9	63%	0.629	79%	0.786	S	S	*	*			trans	65.7	115.8	134.1	54.4	0	0	0	0	122.4
283	Q	32.4	Very low	32.9	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	79%	0.786	S	S	*	*				59.2	128.1	124.4	-79.6	177.8	-32.2	0	0	121.7
284	N	33.5	Very low	33	Very low	126 Å²	126	145 Å²	145	67%	0.674	79%	0.791	S	S	*	*				123.9	136.9	130	-75.4	-16.3	0	0	0	118.5
285	N	33.7	Very low	32.8	Very low	132 Å²	132	145.1 Å²	145.1	71%	0.706	79%	0.791	S	S	*	*			trans	83.4	110.5	153.1	-55.4	-25	0	0	0	117.1
286	L	34.6	Very low	32.9	Very low	140 Å²	140	146.2 Å²	146.2	73%	0.733	80%	0.796	S	S	*	*				77.9	112.7	71.1	-78.2	166.1	0	0	0	113.6
287	E	29.9	Very low	32.8	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	79%	0.794	S	S	*	*			trans	52.6	131.5	144.3	-64.4	178.9	153.7	0	0	120.9
288	V	34.5	Very low	32.4	Very low	141 Å²	141	142.9 Å²	142.9	86%	0.855	79%	0.793	S	S	*	*				172.1	131.8	108.6	160.8	0	0	0	0	110.3
289	D	29.2	Very low	32	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	79%	0.794	S	S	*	*			trans	-49.8	149.8	171.1	-75.7	-48.6	0	0	0	115.4
290	Q	38.4	Very low	31.9	Very low	194 Å²	194	140.7 Å²	140.7	91%	0.907	79%	0.787	S	S	*	*			trans	-152.2	123.9	131.6	-72.8	-154.1	-8.1	0	0	112.8
291	N	29.3	Very low	31.7	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	79%	0.789	S	S	*	*			trans	-65.1	147.6	166.6	-94.8	-33.6	0	0	0	112.6
292	S	35.1	Very low	31.7	Very low	123 Å²	123	138.6 Å²	138.6	86%	0.86	79%	0.791	S	S	*	*			trans	-154.9	119.5	152.5	-66.9	0	0	0	0	110.7
293	T	28.2	Very low	31.6	Very low	130 Å²	130	138.3 Å²	138.3	80%	0.798	80%	0.802	S	S	*	*			trans	-90	168.5	-177.9	31	0	0	0	0	113
294	S	33.5	Very low	31.4	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	80%	0.8	S	S	*	*			trans	94	142	160.9	76.9	0	0	0	0	117.3
295	L	30.4	Very low	31.3	Very low	164 Å²	164	137.2 Å²	137.2	86%	0.859	81%	0.81	S	S	*	*			cis	-168.9	166.1	-20	-105	169.7	0	0	0	104.9
296	P	33.2	Very low	31.1	Very low	113 Å²	113	139 Å²	139	73%	0.734	81%	0.814	S	S	*	*			trans	-95.3	166.4	-158.3	38.3	-36.6	0	0	0	115.7
297	I	31.9	Very low	31.1	Very low	165 Å²	165	141.3 Å²	141.3	85%	0.846	82%	0.82	S	S	*	*			trans	-125.3	128.6	168.9	-62.4	177.7	0	0	0	110.1
298	C	24.1	Very low	31	Very low	105 Å²	105	139.5 Å²	139.5	71%	0.709	82%	0.816	S	S	*	*			trans	-106.8	140.1	176.4	-165.1	0	0	0	0	108.2
299	C	28.5	Very low	31	Very low	124 Å²	124	138.4 Å²	138.4	84%	0.838	81%	0.81	S	S	*	*			trans	-136.3	113.3	161.7	-69.7	0	0	0	0	109.3
300	N	26.7	Very low	31.2	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	81%	0.812	S	S	*	*			trans	-93	149.1	161.5	-76.1	-27.8	0	0	0	108.8
301	D	33.1	Very low	30.8	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	81%	0.807	S	S	*	*			trans	-173.1	111	141.2	-95.7	-23.9	0	0	0	107.2
302	A	31.5	Very low	30.9	Very low	100 Å²	100	137.3 Å²	137.3	83%	0.826	81%	0.81	S	S	*	*				83.2	118.2	74.8	0	0	0	0	0	113.4
303	G	32.5	Very low	30.5	Very low	84 Å²	84	136.1 Å²	136.1	87%	0.866	80%	0.802	S	S	*	*			trans	172.7	81.8	174.8	0	0	0	0	0	114.2
304	S	27.8	Very low	30.8	Very low	108 Å²	108	136 Å²	136	76%	0.755	80%	0.8	S	S	*	*			trans	-69.6	151.6	177.4	-180	0	0	0	0	113.7
305	L	31.6	Very low	30.8	Very low	168 Å²	168	137.2 Å²	137.2	88%	0.88	80%	0.798	S	S	*	*				-179.4	119.2	125.9	-93.9	154.5	0	0	0	112
306	Q	29.1	Very low	30.7	Very low	169 Å²	169	134.3 Å²	134.3	79%	0.79	79%	0.792	S	S	*	*			trans	-86.2	149.8	167	-73.9	175.3	-25.1	0	0	110.6
307	H	34.1	Very low	30.8	Very low	188 Å²	188	134.6 Å²	134.6	87%	0.87	80%	0.796	S	S	*	*			trans	-141.6	121	151	-119.1	-67.6	0	0	0	110.7
308	N	28.2	Very low	30.6	Very low	135 Å²	135	136 Å²	136	72%	0.722	80%	0.796	S	S	*	*			trans	-83.7	-179.8	171.2	-87	-23.4	0	0	0	111.8
309	T	34.7	Very low	31	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	81%	0.808	S	S	*	*			trans	97.3	136.4	167.2	61.6	0	0	0	0	115.8
310	E	34.3	Very low	31	Very low	178 Å²	178	140 Å²	140	83%	0.832	80%	0.8	S	S	*	*			cis	-166.8	166.1	-6.9	-116.1	169.3	-171.4	0	0	109.2
311	N	28.2	Very low	31.4	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	80%	0.8	S	S	*	*			trans	-56.7	154	-177.1	-62	-50	0	0	0	116.5
312	V	32.5	Very low	31.2	Very low	147 Å²	147	140 Å²	140	89%	0.891	80%	0.802	S	S	*	*				-158.3	122	122	176.4	0	0	0	0	110.2
313	S	27.2	Very low	31.3	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	79%	0.794	S	S	*	*			trans	-95.7	155.6	161.2	47.8	0	0	0	0	110.6
314	V	34.8	Very low	31.3	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	79%	0.793	S	S	*	*			trans	176.6	123.7	141	151.7	0	0	0	0	113.1
315	N	32.2	Very low	31.3	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	79%	0.792	S	S	*	*			trans	62.3	109.8	142.5	-61.7	-9	0	0	0	125.7
316	S	29.6	Very low	31.3	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	79%	0.792	S	S	*	*				9.8	135.3	119.1	61.8	0	0	0	0	121.8
317	S	33.5	Very low	31.3	Very low	119 Å²	119	138.2 Å²	138.2	83%	0.832	79%	0.788	S	S	*	*				-178.5	129.3	113.3	54.6	0	0	0	0	114.6
318	K	29.6	Very low	31.1	Very low	195 Å²	195	135.9 Å²	135.9	85%	0.848	78%	0.78	S	S	*	*			trans	-9.9	144.1	156	-65.4	171.6	174.8	177.6	0	119.9
319	F	31.4	Very low	31.4	Very low	218 Å²	218	137.4 Å²	137.4	96%	0.956	78%	0.783	S	S	*	*				-150.4	142	122.5	-116.9	-84	0	0	0	111.4
320	S	28.7	Very low	31.1	Very low	95 Å²	95	136 Å²	136	66%	0.664	78%	0.778	S	S	*	*			trans	-133	145.2	-169.5	55.1	0	0	0	0	110.6
321	S	35.1	Very low	31.1	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	78%	0.777	S	S	*	*			trans	173.4	115.4	145.6	47.9	0	0	0	0	108.2
322	Q	29.8	Very low	31.3	Very low	191 Å²	191	133.5 Å²	133.5	89%	0.893	78%	0.777	S	S	*	*				54.7	133.8	80.3	-74.7	-174.5	-10.8	0	0	112.4
323	S	32.6	Very low	31.3	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	77%	0.768	S	S	*	*			cis	-166.7	162.3	24.9	64.4	0	0	0	0	112.1
324	T	31.6	Very low	31.8	Very low	138 Å²	138	130.3 Å²	130.3	85%	0.847	77%	0.772	S	S	*	*			trans	45.2	134.4	137.4	59.7	0	0	0	0	119.9
325	G	28.5	Very low	31.8	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	77%	0.773	S	S	*	*			cis	141.9	156.1	30.9	0	0	0	0	0	108.1
326	E	32.9	Very low	32	Very low	188 Å²	188	131 Å²	131	88%	0.879	78%	0.776	S	S	*	*			trans	90	104.9	161	-57.7	-172.6	152.4	0	0	122.3
327	S	28.3	Very low	32.2	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	78%	0.776	S	S	*	*				58.7	116.6	110	-45.2	0	0	0	0	124.3
328	I	30.6	Very low	32.1	Very low	138 Å²	138	130.3 Å²	130.3	71%	0.708	77%	0.768	S	S	*	*			trans	52.4	112.6	131	-37	173.1	0	0	0	120.1
329	H	33.8	Very low	32.5	Very low	167 Å²	167	131.2 Å²	131.2	77%	0.773	77%	0.772	S	S	*	*				164.1	132.9	113	-98.3	-67.7	0	0	0	113.3
330	S	28.7	Very low	32.5	Very low	89 Å²	89	126.4 Å²	126.4	62%	0.622	76%	0.761	S	S	*	*			trans	-23	145	155.1	43.2	0	0	0	0	118.4
331	I	33.9	Very low	32.4	Very low	161 Å²	161	127.9 Å²	127.9	83%	0.826	77%	0.766	S	S	*	*				179.5	142.3	117.7	-86.9	154.7	0	0	0	111.5
332	S	31.9	Very low	32.3	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	77%	0.766	S	S	*	*			trans	-49.1	161.1	179.2	50.5	0	0	0	0	119.9
333	G	32.3	Very low	32.2	Very low	67 Å²	67	125.2 Å²	125.2	69%	0.691	76%	0.763	S	S	*	*			trans	169.1	116.3	145.7	0	0	0	0	0	118.3
334	S	37.5	Very low	32.2	Very low	112 Å²	112	128 Å²	128	78%	0.783	77%	0.768	S	S	*	*			trans	88.2	107.2	146.4	66.7	0	0	0	0	121.3
335	T	34.6	Very low	32.2	Very low	127 Å²	127	126 Å²	126	78%	0.779	76%	0.76	S	S	*	*				75.4	132.1	80	22.3	0	0	0	0	114.3
336	L	36.8	Very low	32.1	Very low	152 Å²	152	132.6 Å²	132.6	80%	0.796	77%	0.769	S	S	*	*			cis	-173	-174.3	37.7	-93.8	136.8	0	0	0	108.2
337	P	35.3	Very low	32.2	Very low	112 Å²	112	131.4 Å²	131.4	73%	0.727	76%	0.763	S	S	*	*			cis	-133.3	178.6	-39.2	34	-13.9	0	0	0	115.2
338	S	31.3	Very low	32.3	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	76%	0.764	S	S	*	*			trans	-58.8	153.9	179.9	53.3	0	0	0	0	119.9
339	F	36.5	Very low	32.2	Very low	214 Å²	214	128.3 Å²	128.3	94%	0.939	77%	0.765	S	S	*	*			trans	-144.9	154.7	137	-93.2	-76.6	0	0	0	111.8
340	T	32	Very low	31.9	Very low	116 Å²	116	127.7 Å²	127.7	71%	0.712	77%	0.766	S	S	*	*			trans	-96.1	143	-150.3	38.7	0	0	0	0	117
341	T	26.9	Very low	32	Very low	126 Å²	126	130 Å²	130	77%	0.773	78%	0.777	S	S	*	*			trans	45.9	112.4	135.7	-28.7	0	0	0	0	121.4
342	S	32	Very low	31.9	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	77%	0.767	S	S	*	*			trans	-153	122.6	133.9	63.7	0	0	0	0	111.5
343	T	27.5	Very low	32	Very low	135 Å²	135	126.9 Å²	126.9	83%	0.828	76%	0.764	S	S	*	*			trans	-59.8	119.8	176.5	-43.8	0	0	0	0	111.8
344	I	33	Very low	32.7	Very low	154 Å²	154	130.6 Å²	130.6	79%	0.79	76%	0.763	S	S	*	*			trans	-130.8	127.5	161.3	-63	-178.6	0	0	0	109.7
345	S	31	Very low	33.5	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	75%	0.746	S	S	*	*			trans	-58.5	145.5	-174.9	45.3	0	0	0	0	115.9	H347	S345-H347 PolarHBondContact O-N 3.15Å
346	K	28.2	Very low	35.3	Very low	209 Å²	209	128.1 Å²	128.1	91%	0.909	74%	0.741	S	S	*	*			trans	-59.2	120.3	162.3	-68	174.6	175.8	177.1	0	111.2
347	H	33.8	Very low	37.7	Very low	164 Å²	164	123.9 Å²	123.9	76%	0.759	72%	0.724	S	S	*	*			trans	-146.4	103	153.8	-96.8	-66.8	0	0	0	105.6	S345	S345-H347 PolarHBondContact O-N 3.15Å
348	S	29.9	Very low	40.4	Very low	102 Å²	102	121 Å²	121	71%	0.713	70%	0.704	S	S	*	*				60.2	115.6	87.2	74.5	0	0	0	0	113.9
349	G	29	Very low	43.5	Very low	71 Å²	71	117.3 Å²	117.3	73%	0.732	68%	0.677	S	S	*	*			trans	110.8	110.3	147.7	0	0	0	0	0	115.9	V351	G349-V351 PolarHBondContact O-N 2.89Å
350	L	28.2	Very low	46.5	Very low	154 Å²	154	107.1 Å²	107.1	81%	0.806	63%	0.632	S	S	*	*			trans	-41.4	126.3	163.6	-82.4	73.8	0	0	0	111.8	T352	L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 HydrophobicContact CB-CG2 4.35Å; L350-T352 HydrophobicContact CD2-CG2 4.01Å; L350-T352 PolarHBondContact O-N 3.17Å
351	V	29.8	Very low	49.6	Very low	138 Å²	138	103.3 Å²	103.3	84%	0.836	61%	0.609	S	S	*	*			trans	-83.3	84.6	156.7	-179.4	0	0	0	0	107.2	G349 C353	G349-V351 PolarHBondContact O-N 2.89Å; V351-C353 VanDerWaalsContact C-N 3.35Å; V351-C353 PolarHBondContact O-N 2.88Å
352	T	31.4	Very low	53	Low	102 Å²	102	98.1 Å²	98.1	63%	0.626	58%	0.575	S	S	*	*			trans	-75.7	91.4	160.6	46.2	0	0	0	0	107.9	L350 Q354	L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 HydrophobicContact CB-CG2 4.35Å; L350-T352 HydrophobicContact CD2-CG2 4.01Å; L350-T352 PolarHBondContact O-N 3.17Å; T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.27Å
353	C	36	Very low	56.1	Low	107 Å²	107	94.4 Å²	94.4	72%	0.723	54%	0.544	S	S	*	.			trans	-65.9	102.3	154	-114.2	0	0	0	0	106.1	V351 S355	V351-C353 VanDerWaalsContact C-N 3.35Å; V351-C353 PolarHBondContact O-N 2.88Å; C353-S355 PolarHBondContact O-N 3.39Å
354	Q	46.9	Very low	59.4	Low	146 Å²	146	89.1 Å²	89.1	68%	0.682	51%	0.511	S	S	*	.			trans	-59.6	88.8	165.6	-73.7	-178.6	-11	0	0	107	T352 N356	T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.27Å; Q354-N356 PolarHBondContact O-N 3.39Å
355	S	53.3	Low	62.4	Low	62 Å²	62	85.5 Å²	85.5	43%	0.434	49%	0.493	S	S	.	.			trans	-80.8	107.4	-177	36.3	0	0	0	0	107.5	C353 C357 Q359	C353-S355 PolarHBondContact O-N 3.39Å; S355-C357 PolarHBondContact O-N 3.47Å; S355-Q359 PolarHBondContact O-NE2 3.46Å; S355-Q359 PolarHBondContact OG-NE2 2.61Å
356	N	71.6	Confident	65.3	Low	124 Å²	124	81.6 Å²	81.6	66%	0.663	46%	0.464	S	S	*	.			trans	-63.3	21.8	169.4	-76.6	-9.3	0	0	0	113	F188 Q354	F188-N356 WeakPolarHBondContact CE1-O 3.3Å; Q354-N356 PolarHBondContact O-N 3.39Å
357	C	88.1	Confident	68.5	Low	64 Å²	64	73.5 Å²	73.5	43%	0.432	43%	0.431	S	S	.	.	S	Bend	trans	-103.7	149.2	174	66.3	0	0	0	0	110	F188 S355 Q359	F188-C357 WeakPolarHBondContact CD1-O 3.36Å; S355-C357 PolarHBondContact O-N 3.47Å; C357-Q359 WeakPolarHBondContact O-CG 3.31Å; C357-Q359 PolarHBondContact O-NE2 2.97Å; C357-Q359 PolarHBondContact SG-NE2 3.42Å
358	P	92.5	Very high	71.4	Confident	50 Å²	50	72.6 Å²	72.6	33%	0.325	42%	0.424	S	S	.	.			trans	-58.1	142.2	171.3	-21.2	31.7	0	0	0	111.3	S186 F188 I220	S186-P358 WeakPolarHBondContact OG-CB 3.35Å; S186-P358 WeakPolarHBondContact OG-CG 3.02Å; F188-P358 HydrophobicContact CE1-CG 4.12Å; F188-P358 HydrophobicContact CZ-CG 4.15Å; I220-P358 HydrophobicContact CD1-CB 4.13Å
359	Q	96.5	Very high	74.5	Confident	19 Å²	19	68 Å²	68	9%	0.089	39%	0.392	C	S	.	.			trans	-111.3	-44.2	-166	-64.4	-63.4	-40.5	0	0	110	F187 F188 R219 I220 V236 S355 C357	F187-Q359 WeakPolarHBondContact O-CA 3.28Å; F187-Q359 PolarHBondContact O-N 3.32Å; F188-Q359 VanDerWaalsContact O-CB 3.24Å; F188-Q359 WeakPolarHBondContact O-CB 3.4Å; F188-Q359 WeakPolarHBondContact O-CG 3.37Å; R219-Q359 PolarHBondContact NH1-O 2.92Å; R219-Q359 VanDerWaalsContact NH1-O 3.1Å; R219-Q359 PolarHBondContact NH2-O 3.37Å; I220-Q359 PolarHBondContact N-O 3.04Å; V236-Q359 HydrophobicContact CG1-CG 4.47Å; S355-Q359 PolarHBondContact O-NE2 3.46Å; S355-Q359 PolarHBondContact OG-NE2 2.61Å; C357-Q359 WeakPolarHBondContact O-CG 3.31Å; C357-Q359 PolarHBondContact O-NE2 2.97Å; C357-Q359 PolarHBondContact SG-NE2 3.42Å
360	Y	98.1	Very high	77.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.3	-177.7	-66.1	-78.5	0	0	0	112	S186 F187 L190 K218 R219 A226 E229 A235 V236	S186-Y360 CarbonylContact C-O 3.57Å; S186-Y360 WeakPolarHBondContact CA-O 3.46Å; S186-Y360 WeakPolarHBondContact CB-O 3.34Å; F187-Y360 PolarHBondContact N-O 3.2Å; F187-Y360 PolarHBondContact O-N 2.91Å; L190-Y360 HydrophobicContact CD2-CD1 3.95Å; L190-Y360 HydrophobicContact CD2-CD2 3.76Å; L190-Y360 HydrophobicContact CD2-CE1 3.81Å; L190-Y360 HydrophobicContact CD2-CE2 3.56Å; L190-Y360 HydrophobicContact CD2-CG 3.95Å; L190-Y360 HydrophobicContact CG-CD2 4.27Å; L190-Y360 HydrophobicContact CG-CE1 4.38Å; L190-Y360 HydrophobicContact CG-CE2 3.63Å; K218-Y360 CarbonylContact O-C 3.45Å; K218-Y360 WeakPolarHBondContact O-CA 3.24Å; R219-Y360 HydrophobicContact CB-CE1 4.45Å; A226-Y360 HydrophobicContact CB-CD1 4.05Å; A226-Y360 HydrophobicContact CB-CE1 3.8Å; E229-Y360 WeakPolarHBondContact OE2-CE1 3.46Å; E229-Y360 PolarHBondContact OE2-OH 3.4Å; A235-Y360 WeakPolarHBondContact CA-OH 3.38Å; V236-Y360 HydrophobicContact CB-CE2 3.98Å; V236-Y360 HydrophobicContact CG2-CE2 4.44Å; V236-Y360 PolarHBondContact N-OH 3.02Å
361	T	98.1	Very high	80.8	Confident	37 Å²	37	66.8 Å²	66.8	23%	0.227	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	173.9	169.1	-169.7	0	0	0	0	109.6	Q185 L217 K218 I220	Q185-T361 PolarHBondContact O-OG1 3.37Å; L217-T361 CarbonylContact C-O 3.57Å; L217-T361 VanDerWaalsContact CA-O 3.31Å; L217-T361 WeakPolarHBondContact CA-O 3.47Å; K218-T361 HydrophobicContact CG-CG2 3.95Å; K218-T361 PolarHBondContact N-O 3.28Å; K218-T361 PolarHBondContact O-N 2.98Å; I220-T361 HydrophobicContact CG1-CG2 3.85Å
362	W	98	Very high	84	Confident	17 Å²	17	62.2 Å²	62.2	6%	0.064	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.6	177.9	-60.8	103.4	0	0	0	111.3	R183 P184 F187 W196 F213 Q216 L217 K218 I364	R183-W362 HydrophobicContact CB-CZ2 4.07Å; R183-W362 HydrophobicContact CG-CZ2 4.49Å; P184-W362 PolarHBondContact O-NE1 3.35Å; F187-W362 HydrophobicContact CE2-CH2 4.39Å; F187-W362 AromaticContact CE2-CZ2 3.99Å; F187-W362 HydrophobicContact CE2-CZ2 3.99Å; F187-W362 HydrophobicContact CZ-CH2 4.35Å; F187-W362 AromaticContact CZ-CZ2 3.94Å; F187-W362 HydrophobicContact CZ-CZ2 3.94Å; W196-W362 AromaticContact CH2-CH2 3.98Å; W196-W362 HydrophobicContact CH2-CH2 3.98Å; W196-W362 AromaticContact CH2-CZ2 3.97Å; W196-W362 HydrophobicContact CH2-CZ2 3.97Å; W196-W362 AromaticContact CZ3-CH2 3.61Å; W196-W362 HydrophobicContact CZ3-CH2 3.61Å; W196-W362 AromaticContact CZ3-CZ2 3.92Å; W196-W362 HydrophobicContact CZ3-CZ2 3.92Å; F213-W362 HydrophobicContact CE2-CH2 4.17Å; F213-W362 HydrophobicContact CE2-CZ3 4.15Å; F213-W362 AromaticContact CZ-CH2 3.7Å; F213-W362 HydrophobicContact CZ-CH2 3.7Å; F213-W362 AromaticContact CZ-CZ3 3.87Å; F213-W362 HydrophobicContact CZ-CZ3 3.87Å; Q216-W362 HydrophobicContact CB-CE3 4.4Å; Q216-W362 HydrophobicContact CB-CZ3 4.26Å; L217-W362 HydrophobicContact CD2-CD2 4.48Å; L217-W362 HydrophobicContact CD2-CE3 4.06Å; L217-W362 HydrophobicContact CD2-CZ3 4.37Å; K218-W362 WeakPolarHBondContact CE-O 3.21Å; W362-I364 VanDerWaalsContact C-N 3.3Å; W362-I364 PolarHBondContact O-N 2.73Å
363	R	98	Very high	87	Confident	31 Å²	31	57.6 Å²	57.6	12%	0.117	31%	0.313	C	S	.	.	S	Bend	trans	-55.2	-49.2	176.7	164.6	59.3	-164.7	-124.2	1.7	110.5	G96 G98 T100 Q216 K218	G96-R363 PolarHBondContact O-NE 3.38Å; G98-R363 VanDerWaalsContact O-CZ 3.25Å; G98-R363 PolarHBondContact O-NH1 3.09Å; T100-R363 PolarHBondContact O-NH2 2.97Å; Q216-R363 WeakPolarHBondContact O-CB 3.42Å; Q216-R363 PolarHBondContact O-N 3.33Å; K218-R363 PolarHBondContact NZ-O 2.83Å
364	I	96.7	Very high	89.8	Confident	25 Å²	25	59.6 Å²	59.6	13%	0.128	31%	0.309	C	S	.	.	S	Bend	trans	-118.6	137.4	-179.4	-173.1	170.9	0	0	0	110.9	L108 W362 L366 T369	L108-I364 HydrophobicContact CD1-CD1 3.89Å; W362-I364 VanDerWaalsContact C-N 3.3Å; W362-I364 PolarHBondContact O-N 2.73Å; I364-L366 PolarHBondContact O-N 3.27Å; I364-T369 HydrophobicContact CD1-CG2 4.03Å
365	D	94.7	Very high	92.1	Very high	78 Å²	78	56.8 Å²	56.8	42%	0.417	30%	0.296	S	S	.	.			trans	-81.6	90.5	165.5	-178.8	-1.4	0	0	0	108.7	I367 K368	D365-I367 PolarHBondContact O-N 2.89Å; D365-I367 VanDerWaalsContact O-N 3.12Å; D365-I367 WeakPolarHBondContact OD1-CB 3.48Å; D365-I367 PolarHBondContact OD1-N 2.91Å; D365-K368 HydrophobicContact CB-CD 4.09Å; D365-K368 HydrophobicContact CB-CG 4.15Å; D365-K368 WeakPolarHBondContact O-CB 3.3Å; D365-K368 PolarHBondContact O-N 3.09Å; D365-K368 VanDerWaalsContact OD2-CE 3.3Å; D365-K368 WeakPolarHBondContact OD2-CE 3.44Å; D365-K368 WeakPolarHBondContact OD2-CG 3.5Å
366	L	93.6	Very high	94.1	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.6	-21.5	-174.2	-163.4	65.8	0	0	0	112.5	L180 I364 K368 T369 W373	L180-L366 HydrophobicContact CD1-CB 4.01Å; L180-L366 HydrophobicContact CD1-CD2 4.13Å; L180-L366 HydrophobicContact CD1-CG 4.2Å; L180-L366 HydrophobicContact CD2-CB 4.43Å; L180-L366 HydrophobicContact CD2-CD2 4.01Å; I364-L366 PolarHBondContact O-N 3.27Å; L366-K368 VanDerWaalsContact C-N 3.25Å; L366-K368 PolarHBondContact O-N 2.99Å; L366-T369 HydrophobicContact CD1-CG2 4.22Å; L366-T369 PolarHBondContact O-N 3.03Å; L366-T369 VanDerWaalsContact O-N 3.14Å; L366-T369 PolarHBondContact O-OG1 2.88Å; L366-W373 WeakPolarHBondContact O-CZ2 3.32Å
367	I	94.1	Very high	95.2	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.2	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64.8	-33.4	177	-62.4	171.7	0	0	0	110.7	T177 L180 R181 D365 T369 Q370	T177-I367 HydrophobicContact CG2-CG2 4.25Å; L180-I367 HydrophobicContact CB-CD1 4.08Å; L180-I367 HydrophobicContact CB-CG1 3.83Å; L180-I367 HydrophobicContact CD1-CG1 3.87Å; R181-I367 HydrophobicContact CG-CD1 3.58Å; D365-I367 PolarHBondContact O-N 2.89Å; D365-I367 VanDerWaalsContact O-N 3.12Å; D365-I367 WeakPolarHBondContact OD1-CB 3.48Å; D365-I367 PolarHBondContact OD1-N 2.91Å; I367-T369 PolarHBondContact O-N 3.32Å; I367-T369 VanDerWaalsContact O-N 3.14Å; I367-Q370 WeakPolarHBondContact O-CB 3.06Å; I367-Q370 PolarHBondContact O-N 3.18Å; I367-Q370 VanDerWaalsContact O-N 3.08Å
368	K	94.7	Very high	95.6	Very high	145 Å²	145	48 Å²	48	63%	0.63	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.5	-19.1	177.3	-66.8	-176.9	-179.4	-175.9	0	113.3	D365 L366 Q370 P371	D365-K368 HydrophobicContact CB-CD 4.09Å; D365-K368 HydrophobicContact CB-CG 4.15Å; D365-K368 WeakPolarHBondContact O-CB 3.3Å; D365-K368 PolarHBondContact O-N 3.09Å; D365-K368 VanDerWaalsContact OD2-CE 3.3Å; D365-K368 WeakPolarHBondContact OD2-CE 3.44Å; D365-K368 WeakPolarHBondContact OD2-CG 3.5Å; L366-K368 VanDerWaalsContact C-N 3.25Å; L366-K368 PolarHBondContact O-N 2.99Å; K368-Q370 VanDerWaalsContact C-N 3.31Å; K368-P371 VanDerWaalsContact O-CD 3.29Å; K368-P371 WeakPolarHBondContact O-CD 3.47Å
369	T	94.8	Very high	95.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.031	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-88.1	-2.8	-179.6	81.4	0	0	0	0	112.4	L108 I364 L366 I367 P371 F372 W373	L108-T369 HydrophobicContact CD1-CG2 3.33Å; I364-T369 HydrophobicContact CD1-CG2 4.03Å; L366-T369 HydrophobicContact CD1-CG2 4.22Å; L366-T369 PolarHBondContact O-N 3.03Å; L366-T369 VanDerWaalsContact O-N 3.14Å; L366-T369 PolarHBondContact O-OG1 2.88Å; I367-T369 PolarHBondContact O-N 3.32Å; I367-T369 VanDerWaalsContact O-N 3.14Å; T369-P371 VanDerWaalsContact C-N 3.29Å; T369-P371 VanDerWaalsContact O-N 3.15Å; T369-F372 PolarHBondContact O-N 2.95Å; T369-W373 VanDerWaalsContact C-NE1 3.3Å; T369-W373 PolarHBondContact O-NE1 3.19Å; T369-W373 PolarHBondContact OG1-NE1 3.45Å
370	Q	94.5	Very high	95.8	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-47.3	-39.5	177.8	-177.3	-179.2	-30.3	0	0	115	T177 I367 K368 F372 W373	T177-Q370 PolarHBondContact OG1-OE1 3.38Å; T177-Q370 VanDerWaalsContact OG1-OE1 3.11Å; I367-Q370 WeakPolarHBondContact O-CB 3.06Å; I367-Q370 PolarHBondContact O-N 3.18Å; I367-Q370 VanDerWaalsContact O-N 3.08Å; K368-Q370 VanDerWaalsContact C-N 3.31Å; Q370-F372 PolarHBondContact O-N 2.86Å; Q370-F372 VanDerWaalsContact O-N 3.14Å; Q370-W373 VanDerWaalsContact CA-CE2 3.42Å; Q370-W373 HydrophobicContact CB-CD2 4.13Å; Q370-W373 HydrophobicContact CB-CE3 4.1Å; Q370-W373 HydrophobicContact CB-CH2 3.99Å; Q370-W373 HydrophobicContact CB-CZ2 3.99Å; Q370-W373 HydrophobicContact CB-CZ3 4.05Å; Q370-W373 HydrophobicContact CG-CD2 4.24Å; Q370-W373 HydrophobicContact CG-CE3 3.78Å; Q370-W373 HydrophobicContact CG-CH2 4.22Å; Q370-W373 HydrophobicContact CG-CZ3 3.78Å; Q370-W373 PolarHBondContact O-N 3.32Å
371	P	95.7	Very high	95.7	Very high	105 Å²	105	46.3 Å²	46.3	68%	0.682	24%	0.238	S	C	*	.	H	α-helix	trans	-56.3	-28.2	176.7	-27.8	37.6	0	0	0	114.4	K368 T369	K368-P371 VanDerWaalsContact O-CD 3.29Å; K368-P371 WeakPolarHBondContact O-CD 3.47Å; T369-P371 VanDerWaalsContact C-N 3.29Å; T369-P371 VanDerWaalsContact O-N 3.15Å
372	F	96.3	Very high	95.6	Very high	43 Å²	43	51 Å²	51	19%	0.189	26%	0.255	C	S	.	.	H	α-helix	trans	-92.1	-17.3	-176.4	-52.3	-69.7	0	0	0	113.8	D106 L108 T369 Q370 K374 E375 W376	D106-F372 VanDerWaalsContact O-CE2 3.3Å; D106-F372 WeakPolarHBondContact O-CE2 3.36Å; L108-F372 HydrophobicContact CB-CD2 3.95Å; L108-F372 HydrophobicContact CB-CE2 4.18Å; T369-F372 PolarHBondContact O-N 2.95Å; Q370-F372 PolarHBondContact O-N 2.86Å; Q370-F372 VanDerWaalsContact O-N 3.14Å; F372-K374 VanDerWaalsContact C-N 3.32Å; F372-K374 PolarHBondContact O-N 2.91Å; F372-E375 WeakPolarHBondContact O-CB 3.33Å; F372-E375 PolarHBondContact O-N 2.93Å; F372-W376 HydrophobicContact CB-CZ2 3.86Å; F372-W376 VanDerWaalsContact O-CD1 3.3Å; F372-W376 PolarHBondContact O-N 3.11Å; F372-W376 VanDerWaalsContact O-N 3.08Å
373	W	94.7	Very high	95.6	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-40.9	-170.1	-63.9	-7.3	0	0	0	113.6	L173 M176 L180 L366 T369 Q370 E375 W376 F377	L173-W373 HydrophobicContact CB-CE3 4.41Å; L173-W373 HydrophobicContact CD1-CB 3.71Å; L173-W373 HydrophobicContact CD2-CB 3.79Å; L173-W373 HydrophobicContact CD2-CD2 4.16Å; L173-W373 HydrophobicContact CD2-CE3 3.88Å; L173-W373 HydrophobicContact CD2-CG 4.19Å; L173-W373 HydrophobicContact CG-CB 4.38Å; M176-W373 HydrophobicContact CB-CH2 4.23Å; M176-W373 HydrophobicContact CB-CZ3 3.98Å; M176-W373 HydrophobicContact CE-CD2 3.23Å; M176-W373 VanDerWaalsContact CE-CE2 3.45Å; M176-W373 HydrophobicContact CE-CE3 3.16Å; M176-W373 HydrophobicContact CE-CG 4.02Å; M176-W373 HydrophobicContact CE-CH2 3.54Å; M176-W373 HydrophobicContact CE-CZ2 3.6Å; M176-W373 HydrophobicContact CE-CZ3 3.32Å; M176-W373 HydrophobicContact CG-CH2 3.96Å; M176-W373 HydrophobicContact CG-CZ3 4.15Å; L180-W373 HydrophobicContact CD1-CH2 3.99Å; L180-W373 HydrophobicContact CD1-CZ2 4.05Å; L366-W373 WeakPolarHBondContact O-CZ2 3.32Å; T369-W373 VanDerWaalsContact C-NE1 3.3Å; T369-W373 PolarHBondContact O-NE1 3.19Å; T369-W373 PolarHBondContact OG1-NE1 3.45Å; Q370-W373 VanDerWaalsContact CA-CE2 3.42Å; Q370-W373 HydrophobicContact CB-CD2 4.13Å; Q370-W373 HydrophobicContact CB-CE3 4.1Å; Q370-W373 HydrophobicContact CB-CH2 3.99Å; Q370-W373 HydrophobicContact CB-CZ2 3.99Å; Q370-W373 HydrophobicContact CB-CZ3 4.05Å; Q370-W373 HydrophobicContact CG-CD2 4.24Å; Q370-W373 HydrophobicContact CG-CE3 3.78Å; Q370-W373 HydrophobicContact CG-CH2 4.22Å; Q370-W373 HydrophobicContact CG-CZ3 3.78Å; Q370-W373 PolarHBondContact O-N 3.32Å; W373-E375 VanDerWaalsContact C-N 3.3Å; W373-E375 PolarHBondContact O-N 3.08Å; W373-W376 HydrophobicContact CB-CE3 4.5Å; W373-W376 AromaticContact CD1-CE3 3.72Å; W373-W376 AromaticContact CD1-CH2 3.5Å; W373-W376 AromaticContact CD1-CZ3 3.23Å; W373-W376 HydrophobicContact CG-CE3 4.39Å; W373-W376 HydrophobicContact CG-CZ3 4.2Å; W373-W376 AromaticContact NE1-CH2 3.82Å; W373-W376 AromaticContact NE1-CZ3 3.72Å; W373-W376 PolarHBondContact O-N 3.37Å; W373-F377 WeakPolarHBondContact O-CD2 3.27Å
374	K	94.5	Very high	95.6	Very high	149 Å²	149	51.7 Å²	51.7	65%	0.648	26%	0.262	S	S	*	.	H	α-helix	trans	-63.2	-41.4	178.2	-177.4	178.3	177.7	-174.5	0	110.9	L170 F372 W376 F377 S378	L170-K374 HydrophobicContact CD2-CG 4.33Å; F372-K374 VanDerWaalsContact C-N 3.32Å; F372-K374 PolarHBondContact O-N 2.91Å; K374-W376 VanDerWaalsContact C-N 3.31Å; K374-W376 PolarHBondContact O-N 2.92Å; K374-F377 PolarHBondContact O-N 2.95Å; K374-S378 WeakPolarHBondContact CG-OG 3.37Å; K374-S378 WeakPolarHBondContact O-CB 3.45Å; K374-S378 PolarHBondContact O-N 2.83Å; K374-S378 PolarHBondContact O-OG 2.67Å
375	E	94.8	Very high	95.7	Very high	86 Å²	86	52.1 Å²	52.1	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-37.1	179.6	-170.1	-172	172.9	0	0	111.6	I110 F372 W373 F377	I110-E375 HydrophobicContact CB-CG 4.47Å; I110-E375 HydrophobicContact CG2-CG 3.84Å; I110-E375 WeakPolarHBondContact CG2-OE1 3.47Å; F372-E375 WeakPolarHBondContact O-CB 3.33Å; F372-E375 PolarHBondContact O-N 2.93Å; W373-E375 VanDerWaalsContact C-N 3.3Å; W373-E375 PolarHBondContact O-N 3.08Å; E375-F377 VanDerWaalsContact C-N 3.27Å; E375-F377 PolarHBondContact O-N 2.91Å
376	W	96.4	Very high	95.8	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-34.7	177.9	-60.3	-15.4	0	0	0	113.5	L108 M139 A142 F372 W373 K374	L108-W376 HydrophobicContact CB-CZ2 4.18Å; L108-W376 PolarHBondContact O-NE1 3.45Å; M139-W376 HydrophobicContact CB-CE3 4.21Å; M139-W376 HydrophobicContact CB-CZ3 4.17Å; M139-W376 HydrophobicContact CG-CD2 4.01Å; M139-W376 HydrophobicContact CG-CE3 3.8Å; M139-W376 HydrophobicContact CG-CH2 3.98Å; M139-W376 HydrophobicContact CG-CZ2 4.18Å; M139-W376 HydrophobicContact CG-CZ3 3.77Å; M139-W376 HydrophobicContact SD-CE3 4.36Å; M139-W376 HydrophobicContact SD-CH2 3.41Å; M139-W376 WeakPolarHBondContact SD-CH2 3.41Å; M139-W376 HydrophobicContact SD-CZ2 3.72Å; M139-W376 HydrophobicContact SD-CZ3 3.76Å; A142-W376 HydrophobicContact CB-CB 4.21Å; A142-W376 WeakPolarHBondContact CB-O 3.27Å; F372-W376 HydrophobicContact CB-CZ2 3.86Å; F372-W376 VanDerWaalsContact O-CD1 3.3Å; F372-W376 PolarHBondContact O-N 3.11Å; F372-W376 VanDerWaalsContact O-N 3.08Å; W373-W376 HydrophobicContact CB-CE3 4.5Å; W373-W376 AromaticContact CD1-CE3 3.72Å; W373-W376 AromaticContact CD1-CH2 3.5Å; W373-W376 AromaticContact CD1-CZ3 3.23Å; W373-W376 HydrophobicContact CG-CE3 4.39Å; W373-W376 HydrophobicContact CG-CZ3 4.2Å; W373-W376 AromaticContact NE1-CH2 3.82Å; W373-W376 AromaticContact NE1-CZ3 3.72Å; W373-W376 PolarHBondContact O-N 3.37Å; K374-W376 VanDerWaalsContact C-N 3.31Å; K374-W376 PolarHBondContact O-N 2.92Å
377	F	95.6	Very high	96.1	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-111.5	-15.9	-169.8	-52.6	-61.6	0	0	0	114.3	A142 V164 E166 A169 L170 L173 W373 K374 E375 G379 L380	A142-F377 HydrophobicContact CB-CD1 4.28Å; A142-F377 HydrophobicContact CB-CE1 4.18Å; V164-F377 HydrophobicContact CG1-CD1 3.78Å; V164-F377 HydrophobicContact CG1-CE1 3.89Å; E166-F377 WeakPolarHBondContact CG-O 3.35Å; A169-F377 HydrophobicContact CB-CB 4.18Å; A169-F377 HydrophobicContact CB-CD1 3.93Å; A169-F377 HydrophobicContact CB-CD2 4.07Å; A169-F377 HydrophobicContact CB-CE1 4.38Å; A169-F377 HydrophobicContact CB-CG 3.78Å; L170-F377 HydrophobicContact CD2-CB 4.12Å; L170-F377 HydrophobicContact CG-CB 4.27Å; L173-F377 HydrophobicContact CD1-CD2 4.34Å; L173-F377 HydrophobicContact CD2-CD2 4.28Å; L173-F377 HydrophobicContact CD2-CE2 3.99Å; W373-F377 WeakPolarHBondContact O-CD2 3.27Å; K374-F377 PolarHBondContact O-N 2.95Å; E375-F377 VanDerWaalsContact C-N 3.27Å; E375-F377 PolarHBondContact O-N 2.91Å; F377-G379 PolarHBondContact O-N 3.43Å; F377-L380 HydrophobicContact CD1-CD2 4.09Å; F377-L380 WeakPolarHBondContact O-CB 3.3Å; F377-L380 PolarHBondContact O-N 3.05Å
378	S	95.2	Very high	96.2	Very high	48 Å²	48	53.5 Å²	53.5	34%	0.336	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	126	-177.6	-63.8	0	0	0	0	111.7	K374 L380	K374-S378 WeakPolarHBondContact CG-OG 3.37Å; K374-S378 WeakPolarHBondContact O-CB 3.45Å; K374-S378 PolarHBondContact O-N 2.83Å; K374-S378 PolarHBondContact O-OG 2.67Å; S378-L380 PolarHBondContact O-N 3.37Å
379	G	95.6	Very high	96.4	Very high	27 Å²	27	48.2 Å²	48.2	28%	0.278	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	5.9	-177.3	0	0	0	0	0	114.8	E166 F377 S381 K382 L383	E166-G379 PolarHBondContact OE1-N 3.28Å; E166-G379 WeakPolarHBondContact OE2-CA 3.42Å; E166-G379 PolarHBondContact OE2-N 2.81Å; F377-G379 PolarHBondContact O-N 3.43Å; G379-S381 VanDerWaalsContact C-N 3.31Å; G379-S381 PolarHBondContact O-N 2.83Å; G379-K382 PolarHBondContact O-N 3.49Å; G379-L383 WeakPolarHBondContact O-CG 3.39Å; G379-L383 PolarHBondContact O-N 2.73Å
380	L	96.9	Very high	96.6	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-37.8	-171.6	-173.8	70.3	0	0	0	112.4	A142 V145 V164 E166 F377 S378 K382 L383 F384	A142-L380 HydrophobicContact CB-CD1 4.18Å; A142-L380 HydrophobicContact CB-CD2 4.17Å; V145-L380 HydrophobicContact CB-CD1 3.62Å; V145-L380 HydrophobicContact CG1-CD1 3.62Å; V145-L380 HydrophobicContact CG2-CD1 3.95Å; V164-L380 HydrophobicContact CG1-CD2 3.35Å; E166-L380 HydrophobicContact CB-CB 4.34Å; E166-L380 PolarHBondContact OE2-N 3.32Å; F377-L380 HydrophobicContact CD1-CD2 4.09Å; F377-L380 WeakPolarHBondContact O-CB 3.3Å; F377-L380 PolarHBondContact O-N 3.05Å; S378-L380 PolarHBondContact O-N 3.37Å; L380-K382 PolarHBondContact O-N 2.75Å; L380-L383 PolarHBondContact O-N 3.26Å; L380-F384 WeakPolarHBondContact O-CB 3.19Å; L380-F384 PolarHBondContact O-N 2.98Å
381	S	96.8	Very high	96.7	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-41.1	-179.3	-68.7	0	0	0	0	111.6	E166 G379 L385 D402	E166-S381 WeakPolarHBondContact CB-OG 3.32Å; E166-S381 PolarHBondContact OE2-N 3.46Å; G379-S381 VanDerWaalsContact C-N 3.31Å; G379-S381 PolarHBondContact O-N 2.83Å; S381-L385 VanDerWaalsContact O-CG 3.24Å; S381-L385 WeakPolarHBondContact O-CG 3.46Å; S381-L385 PolarHBondContact O-N 2.98Å; S381-L385 VanDerWaalsContact O-N 3.08Å; S381-D402 WeakPolarHBondContact CB-OD2 3.15Å; S381-D402 PolarHBondContact OG-OD1 2.81Å; S381-D402 PolarHBondContact OG-OD2 3.05Å
382	K	96.9	Very high	96.9	Very high	136 Å²	136	41.4 Å²	41.4	59%	0.591	22%	0.223	S	C	*	.	H	α-helix	trans	-68.3	-41.7	175.6	-66.4	-178.4	-176.8	174.5	0	112	G379 L380 L385 S386 D404	G379-K382 PolarHBondContact O-N 3.49Å; L380-K382 PolarHBondContact O-N 2.75Å; K382-L385 PolarHBondContact O-N 3.37Å; K382-S386 PolarHBondContact O-N 2.95Å; K382-D404 WeakPolarHBondContact CE-OD2 3.42Å; K382-D404 WeakPolarHBondContact CG-OD2 3.42Å
383	L	97.6	Very high	96.9	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.288	21%	0.214	S	C	.	.	H	α-helix	trans	-59.5	-49.9	175.5	-73.8	175.2	0	0	0	110.7	V145 C149 G379 L380 L385 S386	V145-L383 HydrophobicContact CG1-CB 3.72Å; C149-L383 HydrophobicContact CB-CD2 4.42Å; C149-L383 PolarHBondContact SG-O 2.94Å; G379-L383 WeakPolarHBondContact O-CG 3.39Å; G379-L383 PolarHBondContact O-N 2.73Å; L380-L383 PolarHBondContact O-N 3.26Å; L383-L385 VanDerWaalsContact C-N 3.3Å; L383-L385 PolarHBondContact O-N 3.1Å; L383-S386 WeakPolarHBondContact O-CB 3.13Å; L383-S386 PolarHBondContact O-N 2.99Å; L383-S386 PolarHBondContact O-OG 2.89Å
384	F	98.2	Very high	97.1	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-54.9	-44.6	175.9	173.3	-100.4	0	0	0	112.3	V145 L159 V161 L380 S386 I387 K391 L393 L405 F414	V145-F384 HydrophobicContact CG1-CB 4.23Å; V145-F384 HydrophobicContact CG2-CB 4.22Å; V145-F384 HydrophobicContact CG2-CD2 4.1Å; L159-F384 HydrophobicContact CD2-CD2 3.86Å; L159-F384 HydrophobicContact CD2-CE2 4.15Å; V161-F384 HydrophobicContact CB-CE2 4.46Å; V161-F384 HydrophobicContact CG2-CD2 3.95Å; V161-F384 HydrophobicContact CG2-CE2 3.89Å; L380-F384 WeakPolarHBondContact O-CB 3.19Å; L380-F384 PolarHBondContact O-N 2.98Å; F384-S386 VanDerWaalsContact C-N 3.28Å; F384-S386 PolarHBondContact O-N 2.93Å; F384-I387 PolarHBondContact O-N 2.77Å; F384-K391 HydrophobicContact CD1-CD 4.33Å; F384-K391 HydrophobicContact CD2-CD 3.96Å; F384-K391 HydrophobicContact CD2-CG 4.44Å; F384-K391 HydrophobicContact CE1-CB 4.46Å; F384-K391 HydrophobicContact CE1-CD 4.11Å; F384-K391 HydrophobicContact CE2-CB 3.9Å; F384-K391 HydrophobicContact CE2-CD 3.72Å; F384-K391 HydrophobicContact CE2-CG 3.81Å; F384-K391 HydrophobicContact CG-CD 4.28Å; F384-K391 HydrophobicContact CZ-CB 3.65Å; F384-K391 HydrophobicContact CZ-CD 3.82Å; F384-K391 HydrophobicContact CZ-CG 4Å; F384-K391 WeakPolarHBondContact O-CD 3.32Å; F384-K391 WeakPolarHBondContact O-CE 3.16Å; F384-L393 HydrophobicContact CZ-CB 4.43Å; F384-L405 HydrophobicContact CD1-CD2 3.69Å; F384-L405 HydrophobicContact CE1-CD2 4.2Å; F384-F414 HydrophobicContact CE1-CB 4.01Å; F384-F414 AromaticContact CE1-CD1 3.86Å; F384-F414 HydrophobicContact CE1-CD1 3.86Å; F384-F414 AromaticContact CE1-CD2 3.77Å; F384-F414 HydrophobicContact CE1-CD2 3.77Å; F384-F414 HydrophobicContact CE1-CE1 4.23Å; F384-F414 HydrophobicContact CE1-CE2 4.11Å; F384-F414 AromaticContact CE1-CG 3.64Å; F384-F414 HydrophobicContact CE1-CG 3.64Å; F384-F414 HydrophobicContact CE1-CZ 4.36Å; F384-F414 HydrophobicContact CZ-CB 4.03Å; F384-F414 HydrophobicContact CZ-CD2 4.02Å; F384-F414 HydrophobicContact CZ-CG 4.04Å
385	L	98	Very high	97.1	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-69.6	-21.5	178.4	-68.2	171.8	0	0	0	114.1	S381 K382 L383 I387 D404 L405 K413 F414	S381-L385 VanDerWaalsContact O-CG 3.24Å; S381-L385 WeakPolarHBondContact O-CG 3.46Å; S381-L385 PolarHBondContact O-N 2.98Å; S381-L385 VanDerWaalsContact O-N 3.08Å; K382-L385 PolarHBondContact O-N 3.37Å; L383-L385 VanDerWaalsContact C-N 3.3Å; L383-L385 PolarHBondContact O-N 3.1Å; L385-I387 VanDerWaalsContact C-N 3.32Å; L385-D404 HydrophobicContact CD1-CB 4.28Å; L385-D404 WeakPolarHBondContact CD1-O 3.41Å; L385-L405 HydrophobicContact CD1-CD2 4.24Å; L385-L405 HydrophobicContact CD2-CD2 4.21Å; L385-L405 HydrophobicContact CG-CD2 4.02Å; L385-K413 HydrophobicContact CD2-CB 4.21Å; L385-K413 HydrophobicContact CD2-CD 4.2Å; L385-F414 HydrophobicContact CD2-CD1 3.8Å; L385-F414 HydrophobicContact CD2-CE1 3.71Å
386	S	97.8	Very high	96.9	Very high	72 Å²	72	28.4 Å²	28.4	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-78.7	-15.5	179.2	79	0	0	0	0	114	K382 L383 F384 P388	K382-S386 PolarHBondContact O-N 2.95Å; L383-S386 WeakPolarHBondContact O-CB 3.13Å; L383-S386 PolarHBondContact O-N 2.99Å; L383-S386 PolarHBondContact O-OG 2.89Å; F384-S386 VanDerWaalsContact C-N 3.28Å; F384-S386 PolarHBondContact O-N 2.93Å; S386-P388 WeakPolarHBondContact O-CD 3.35Å
387	I	98.2	Very high	96.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.186	C	C	.	.			trans	-77.3	120.9	179.5	-64.3	166.9	0	0	0	108.6	V145 A148 L159 F384 L385 E389 K391	V145-I387 HydrophobicContact CG1-CD1 4.08Å; A148-I387 HydrophobicContact CB-CD1 3.58Å; A148-I387 HydrophobicContact CB-CG1 4.2Å; A148-I387 HydrophobicContact CB-CG2 4.37Å; L159-I387 HydrophobicContact CD2-CD1 3.45Å; L159-I387 VanDerWaalsContact CD2-CD1 3.45Å; F384-I387 PolarHBondContact O-N 2.77Å; L385-I387 VanDerWaalsContact C-N 3.32Å; I387-E389 HydrophobicContact CG2-CB 4.21Å; I387-E389 WeakPolarHBondContact CG2-OE2 3.44Å; I387-K391 HydrophobicContact CB-CD 4.14Å; I387-K391 HydrophobicContact CG2-CD 4.34Å; I387-K391 WeakPolarHBondContact O-CE 3.11Å; I387-K391 PolarHBondContact O-NZ 2.99Å
388	P	97.4	Very high	95.2	Very high	85 Å²	85	33.5 Å²	33.5	55%	0.552	20%	0.2	S	C	*	.			trans	-81.7	-19.4	-176	32.2	-37.5	0	0	0	113.2	R151 S386	R151-P388 VanDerWaalsContact CZ-CG 3.43Å; R151-P388 VanDerWaalsContact NH2-CG 3.29Å; S386-P388 WeakPolarHBondContact O-CD 3.35Å
389	E	98.2	Very high	94.4	Very high	33 Å²	33	38.2 Å²	38.2	15%	0.154	22%	0.222	C	C	.	.	S	Bend	trans	-60.7	152.2	176.2	-63.8	74.8	-165	0	0	110.2	R151 L156 I387 K391	R151-E389 IonicContact CZ-OE1 2.9Å; R151-E389 IonicContact CZ-OE2 2.78Å; R151-E389 IonicContact NH1-OE1 2.67Å; R151-E389 PolarHBondContact NH1-OE1 2.74Å; R151-E389 IonicContact NH1-OE2 2.87Å; L156-E389 HydrophobicContact CG-CG 4.35Å; I387-E389 HydrophobicContact CG2-CB 4.21Å; I387-E389 WeakPolarHBondContact CG2-OE2 3.44Å; E389-K391 WeakPolarHBondContact O-CG 3.23Å; E389-K391 PolarHBondContact O-N 2.83Å; E389-K391 PolarHBondContact O-NZ 3.16Å
390	P	98.4	Very high	93.5	Very high	48 Å²	48	40.2 Å²	40.2	31%	0.312	22%	0.221	S	C	.	.			trans	-52.2	132	172.2	-31.1	37.5	0	0	0	112.3	A157 G158 L159 F441 N445 F447	A157-P390 WeakPolarHBondContact O-CD 3.22Å; G158-P390 WeakPolarHBondContact CA-O 3.26Å; L159-P390 PolarHBondContact N-O 2.58Å; P390-F441 HydrophobicContact CB-CE2 4.14Å; P390-F441 HydrophobicContact CB-CZ 3.87Å; P390-N445 WeakPolarHBondContact CB-OD1 3.36Å; P390-F447 HydrophobicContact CB-CZ 4.34Å; P390-F447 HydrophobicContact CG-CZ 4Å
391	K	98.5	Very high	93.1	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.1	-174.3	-76.5	169.6	-52.9	-58.7	0	111.9	L159 F384 I387 E389 K413 F414 Q415	L159-K391 HydrophobicContact CB-CG 4.23Å; L159-K391 CarbonylContact O-C 2.98Å; L159-K391 VanDerWaalsContact O-CA 3.28Å; L159-K391 WeakPolarHBondContact O-CA 3.46Å; F384-K391 HydrophobicContact CD1-CD 4.33Å; F384-K391 HydrophobicContact CD2-CD 3.96Å; F384-K391 HydrophobicContact CD2-CG 4.44Å; F384-K391 HydrophobicContact CE1-CB 4.46Å; F384-K391 HydrophobicContact CE1-CD 4.11Å; F384-K391 HydrophobicContact CE2-CB 3.9Å; F384-K391 HydrophobicContact CE2-CD 3.72Å; F384-K391 HydrophobicContact CE2-CG 3.81Å; F384-K391 HydrophobicContact CG-CD 4.28Å; F384-K391 HydrophobicContact CZ-CB 3.65Å; F384-K391 HydrophobicContact CZ-CD 3.82Å; F384-K391 HydrophobicContact CZ-CG 4Å; F384-K391 WeakPolarHBondContact O-CD 3.32Å; F384-K391 WeakPolarHBondContact O-CE 3.16Å; I387-K391 HydrophobicContact CB-CD 4.14Å; I387-K391 HydrophobicContact CG2-CD 4.34Å; I387-K391 WeakPolarHBondContact O-CE 3.11Å; I387-K391 PolarHBondContact O-NZ 2.99Å; E389-K391 WeakPolarHBondContact O-CG 3.23Å; E389-K391 PolarHBondContact O-N 2.83Å; E389-K391 PolarHBondContact O-NZ 3.16Å; K391-K413 WeakPolarHBondContact CE-O 3.24Å; K391-K413 PolarHBondContact NZ-O 2.93Å; K391-F414 HydrophobicContact CB-CB 3.6Å; K391-Q415 PolarHBondContact O-N 2.9Å
392	L	98.4	Very high	92.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.4	172.9	177.9	64.4	0	0	0	109.9	L159 V160 V161 L394 Q415 L438 F441	L159-L392 PolarHBondContact O-N 3.2Å; V160-L392 CarbonylContact C-O 3.52Å; V160-L392 VanDerWaalsContact CA-O 3.27Å; V160-L392 WeakPolarHBondContact CA-O 3.38Å; V160-L392 HydrophobicContact CG1-CB 4.2Å; V160-L392 HydrophobicContact CG1-CD2 4.09Å; V160-L392 HydrophobicContact CG1-CG 4.18Å; V160-L392 HydrophobicContact CG2-CB 4.14Å; V160-L392 HydrophobicContact CG2-CD2 4.31Å; V161-L392 PolarHBondContact N-O 2.96Å; L392-L394 HydrophobicContact CD1-CD2 3.86Å; L392-L394 HydrophobicContact CD2-CD2 3.78Å; L392-L394 HydrophobicContact CG-CD2 3.62Å; L392-L394 HydrophobicContact CG-CG 4.36Å; L392-Q415 CarbonylContact C-O 3.56Å; L392-Q415 WeakPolarHBondContact CA-O 3.44Å; L392-Q415 HydrophobicContact CD1-CB 3.68Å; L392-L438 HydrophobicContact CD2-CD2 4.16Å; L392-F441 HydrophobicContact CB-CD2 3.84Å; L392-F441 HydrophobicContact CB-CE2 3.85Å; L392-F441 HydrophobicContact CB-CG 4.31Å; L392-F441 HydrophobicContact CB-CZ 4.34Å; L392-F441 HydrophobicContact CD2-CB 3.86Å; L392-F441 HydrophobicContact CD2-CD2 4.14Å; L392-F441 HydrophobicContact CD2-CG 3.93Å; L392-F441 HydrophobicContact CG-CD2 4.44Å
393	L	97.7	Very high	92.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120	174.9	-177.1	67.7	0	0	0	109	V161 V165 F384 L395 L401 L405 F414 Q415 V416 Q417	V161-L393 HydrophobicContact CB-CD1 3.88Å; V161-L393 HydrophobicContact CG1-CD1 3.93Å; V161-L393 WeakPolarHBondContact O-CA 3.28Å; V165-L393 HydrophobicContact CG2-CD2 4.37Å; F384-L393 HydrophobicContact CZ-CB 4.43Å; L393-L395 HydrophobicContact CD1-CD2 4.03Å; L393-L395 HydrophobicContact CD2-CD1 3.93Å; L393-L395 HydrophobicContact CD2-CD2 4.11Å; L393-L395 HydrophobicContact CD2-CG 4.1Å; L393-L395 HydrophobicContact CG-CD1 4.32Å; L393-L395 HydrophobicContact CG-CD2 3.91Å; L393-L395 HydrophobicContact CG-CG 3.94Å; L393-L401 HydrophobicContact CD2-CD2 3.68Å; L393-L405 HydrophobicContact CD2-CD1 3.98Å; L393-F414 HydrophobicContact CB-CD2 3.9Å; L393-F414 HydrophobicContact CB-CE2 3.92Å; L393-F414 HydrophobicContact CD2-CE2 3.73Å; L393-F414 HydrophobicContact CD2-CZ 4.49Å; L393-F414 HydrophobicContact CG-CE2 4.5Å; L393-Q415 PolarHBondContact N-O 2.78Å; L393-V416 HydrophobicContact CB-CG2 4.25Å; L393-V416 HydrophobicContact CD2-CG2 4.43Å; L393-V416 VanDerWaalsContact O-CA 3.32Å; L393-V416 WeakPolarHBondContact O-CA 3.48Å; L393-Q417 PolarHBondContact O-N 2.83Å
394	L	97.5	Very high	92.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.3	175.4	-49.8	-173.4	0	0	0	108.5	V160 V161 I162 D163 L392 Q417 F419 V434	V160-L394 HydrophobicContact CG1-CD1 4.31Å; V160-L394 HydrophobicContact CG1-CG 4.2Å; V161-L394 PolarHBondContact O-N 2.83Å; I162-L394 HydrophobicContact CD1-CD1 4.01Å; I162-L394 HydrophobicContact CG1-CB 4.28Å; I162-L394 HydrophobicContact CG1-CD1 4.03Å; I162-L394 HydrophobicContact CG1-CG 4.33Å; I162-L394 HydrophobicContact CG2-CB 4.24Å; D163-L394 PolarHBondContact N-O 2.87Å; L392-L394 HydrophobicContact CD1-CD2 3.86Å; L392-L394 HydrophobicContact CD2-CD2 3.78Å; L392-L394 HydrophobicContact CG-CD2 3.62Å; L392-L394 HydrophobicContact CG-CG 4.36Å; L394-Q417 WeakPolarHBondContact CA-O 3.39Å; L394-Q417 HydrophobicContact CD2-CB 3.79Å; L394-F419 HydrophobicContact CB-CD2 4.4Å; L394-F419 HydrophobicContact CB-CE2 3.96Å; L394-F419 HydrophobicContact CD1-CE2 4.3Å; L394-F419 HydrophobicContact CD2-CE2 3.96Å; L394-F419 HydrophobicContact CG-CE2 4.29Å; L394-V434 HydrophobicContact CD1-CG1 3.9Å; L394-V434 HydrophobicContact CD1-CG2 4.48Å
395	L	95	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.2	-178.7	-59.6	174.5	0	0	0	110.7	V165 L393 D397 R400 L401 Q417 L418 F419	V165-L395 HydrophobicContact CG2-CD1 4.4Å; V165-L395 HydrophobicContact CG2-CD2 3.81Å; L393-L395 HydrophobicContact CD1-CD2 4.03Å; L393-L395 HydrophobicContact CD2-CD1 3.93Å; L393-L395 HydrophobicContact CD2-CD2 4.11Å; L393-L395 HydrophobicContact CD2-CG 4.1Å; L393-L395 HydrophobicContact CG-CD1 4.32Å; L393-L395 HydrophobicContact CG-CD2 3.91Å; L393-L395 HydrophobicContact CG-CG 3.94Å; L395-D397 VanDerWaalsContact C-N 3.29Å; L395-D397 WeakPolarHBondContact CB-O 3.32Å; L395-R400 HydrophobicContact CD1-CB 4.43Å; L395-R400 HydrophobicContact CD2-CB 4.5Å; L395-L401 HydrophobicContact CD1-CD2 3.68Å; L395-L401 HydrophobicContact CD1-CG 3.89Å; L395-Q417 PolarHBondContact N-O 3.36Å; L395-L418 HydrophobicContact CB-CD2 3.99Å; L395-L418 HydrophobicContact CD1-CD2 4.48Å; L395-L418 CarbonylContact O-C 3.58Å; L395-L418 WeakPolarHBondContact O-CA 3.48Å; L395-F419 PolarHBondContact O-N 2.88Å
396	A	90.5	Very high	92.2	Very high	8 Å²	8	45.4 Å²	45.4	7%	0.066	25%	0.25	C	C	.	.	S	Bend	trans	-66.8	-36.7	167.8	0	0	0	0	0	110.9	D163 F419 P420 G423 V426	D163-A396 PolarHBondContact OD1-N 2.87Å; A396-F419 CarbonylContact O-C 3.59Å; A396-F419 VanDerWaalsContact O-C 3.26Å; A396-P420 VanDerWaalsContact O-CA 3.23Å; A396-P420 WeakPolarHBondContact O-CA 3.32Å; A396-G423 WeakPolarHBondContact CB-O 3.32Å; A396-V426 HydrophobicContact CB-CG2 4.07Å
397	D	82.4	Confident	92.1	Very high	80 Å²	80	45.1 Å²	45.1	43%	0.428	24%	0.242	S	C	.	.			trans	-137.8	140.6	-174.3	-164.8	-15.7	0	0	0	111.6	L395 D399 R400	L395-D397 VanDerWaalsContact C-N 3.29Å; L395-D397 WeakPolarHBondContact CB-O 3.32Å; D397-D399 VanDerWaalsContact C-N 3.3Å; D397-D399 PolarHBondContact OD1-N 2.95Å; D397-R400 HydrophobicContact CB-CG 4.23Å; D397-R400 WeakPolarHBondContact O-CB 3.27Å
398	A	74.2	Confident	92	Very high	43 Å²	43	45 Å²	45	36%	0.355	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67.8	-31.6	178.9	0	0	0	0	0	112.3	R400 L401 L418	A398-R400 PolarHBondContact O-N 2.88Å; A398-L401 PolarHBondContact O-N 2.71Å; A398-L418 HydrophobicContact CB-CD1 3.72Å; A398-L418 HydrophobicContact CB-CD2 4.07Å
399	D	78.8	Confident	91.9	Very high	147 Å²	147	44 Å²	44	79%	0.786	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.3	-3.5	-177.7	-69.2	-11.1	0	0	0	112.9	D397	D397-D399 VanDerWaalsContact C-N 3.3Å; D397-D399 PolarHBondContact OD1-N 2.95Å
400	R	76.4	Confident	91.8	Very high	70 Å²	70	49.4 Å²	49.4	26%	0.264	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-79.7	-18.5	177.5	-66.1	-176.5	175.3	-138.8	7.9	114.2	D163 V165 S168 L395 D397 A398 D402	D163-R400 WeakPolarHBondContact OD1-CD 3.45Å; D163-R400 IonicContact OD1-CZ 3.52Å; D163-R400 VanDerWaalsContact OD1-CZ 3.27Å; D163-R400 IonicContact OD1-NE 3.27Å; D163-R400 IonicContact OD1-NH1 3.3Å; D163-R400 PolarHBondContact OD1-NH1 3.27Å; D163-R400 IonicContact OD2-CZ 3.97Å; D163-R400 VanDerWaalsContact OD2-CZ 3.3Å; D163-R400 IonicContact OD2-NH1 2.87Å; D163-R400 PolarHBondContact OD2-NH1 3.26Å; D163-R400 IonicContact OD2-NH2 3.87Å; V165-R400 WeakPolarHBondContact CB-O 3.31Å; V165-R400 WeakPolarHBondContact CG1-O 3.33Å; V165-R400 HydrophobicContact CG2-CB 4.24Å; V165-R400 WeakPolarHBondContact CG2-O 3.25Å; S168-R400 PolarHBondContact OG-O 3.11Å; L395-R400 HydrophobicContact CD1-CB 4.43Å; L395-R400 HydrophobicContact CD2-CB 4.5Å; D397-R400 HydrophobicContact CB-CG 4.23Å; D397-R400 WeakPolarHBondContact O-CB 3.27Å; A398-R400 PolarHBondContact O-N 2.88Å; R400-D402 PolarHBondContact O-N 2.76Å
401	L	88.7	Confident	91.7	Very high	46 Å²	46	52.6 Å²	52.6	24%	0.241	27%	0.267	C	S	.	.			trans	-66.7	125.7	-178.6	-68.8	176.9	0	0	0	111.2	V165 L393 L395 A398 L405	V165-L401 HydrophobicContact CG2-CD2 4.47Å; L393-L401 HydrophobicContact CD2-CD2 3.68Å; L395-L401 HydrophobicContact CD1-CD2 3.68Å; L395-L401 HydrophobicContact CD1-CG 3.89Å; A398-L401 PolarHBondContact O-N 2.71Å; L401-L405 HydrophobicContact CD2-CB 3.89Å; L401-L405 HydrophobicContact CD2-CD1 4.2Å
402	D	91.3	Very high	91.6	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.144	29%	0.294	C	S	.	.			trans	-84.9	171.4	172	66.5	30.5	0	0	0	111.5	V165 G167 S381 R400 D404 L405 T406	V165-D402 HydrophobicContact CG1-CB 3.85Å; V165-D402 WeakPolarHBondContact CG1-OD2 3.39Å; G167-D402 PolarHBondContact N-OD2 3.23Å; S381-D402 WeakPolarHBondContact CB-OD2 3.15Å; S381-D402 PolarHBondContact OG-OD1 2.81Å; S381-D402 PolarHBondContact OG-OD2 3.05Å; R400-D402 PolarHBondContact O-N 2.76Å; D402-D404 VanDerWaalsContact C-N 3.25Å; D402-D404 PolarHBondContact O-N 2.72Å; D402-D404 PolarHBondContact OD1-N 3.32Å; D402-D404 VanDerWaalsContact OD1-N 3.15Å; D402-L405 PolarHBondContact O-N 3.1Å; D402-L405 PolarHBondContact OD1-N 3.2Å; D402-T406 WeakPolarHBondContact O-CB 3.33Å; D402-T406 PolarHBondContact O-N 3.17Å; D402-T406 PolarHBondContact O-OG1 3.22Å
403	K	93.1	Very high	91.5	Very high	165 Å²	165	59.5 Å²	59.5	72%	0.717	31%	0.314	S	S	*	.	H	α-helix	trans	-51.3	-43	-177.4	-177.4	-180	176.7	-178.5	0	113.1	I407	K403-I407 HydrophobicContact CG-CD1 4.03Å; K403-I407 WeakPolarHBondContact O-CD1 3.45Å; K403-I407 VanDerWaalsContact O-CG1 3.27Å; K403-I407 WeakPolarHBondContact O-CG1 3.31Å; K403-I407 PolarHBondContact O-N 2.91Å; K403-I407 VanDerWaalsContact O-N 3.1Å
404	D	94	Very high	91.5	Very high	51 Å²	51	60 Å²	60	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-69.5	-45.5	-176.2	-74.3	-25.8	0	0	0	110.5	K382 L385 D402 I407 G408	K382-D404 WeakPolarHBondContact CE-OD2 3.42Å; K382-D404 WeakPolarHBondContact CG-OD2 3.42Å; L385-D404 HydrophobicContact CD1-CB 4.28Å; L385-D404 WeakPolarHBondContact CD1-O 3.41Å; D402-D404 VanDerWaalsContact C-N 3.25Å; D402-D404 PolarHBondContact O-N 2.72Å; D402-D404 PolarHBondContact OD1-N 3.32Å; D402-D404 VanDerWaalsContact OD1-N 3.15Å; D404-I407 PolarHBondContact O-N 3.44Å; D404-G408 PolarHBondContact O-N 3.41Å
405	L	95.6	Very high	91.5	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-35.2	176.8	-64.9	-171.4	0	0	0	112.8	V165 F384 L385 L393 L401 D402 G408 Q409 F414	V165-L405 HydrophobicContact CB-CD1 4.13Å; V165-L405 HydrophobicContact CG1-CD1 3.59Å; V165-L405 HydrophobicContact CG1-CG 4.42Å; V165-L405 HydrophobicContact CG2-CD1 3.77Å; F384-L405 HydrophobicContact CD1-CD2 3.69Å; F384-L405 HydrophobicContact CE1-CD2 4.2Å; L385-L405 HydrophobicContact CD1-CD2 4.24Å; L385-L405 HydrophobicContact CD2-CD2 4.21Å; L385-L405 HydrophobicContact CG-CD2 4.02Å; L393-L405 HydrophobicContact CD2-CD1 3.98Å; L401-L405 HydrophobicContact CD2-CB 3.89Å; L401-L405 HydrophobicContact CD2-CD1 4.2Å; D402-L405 PolarHBondContact O-N 3.1Å; D402-L405 PolarHBondContact OD1-N 3.2Å; L405-G408 PolarHBondContact O-N 3.2Å; L405-Q409 VanDerWaalsContact O-CB 3.24Å; L405-Q409 WeakPolarHBondContact O-CB 3.13Å; L405-Q409 PolarHBondContact O-N 3.08Å; L405-F414 HydrophobicContact CB-CZ 4.05Å; L405-F414 HydrophobicContact CD2-CE1 4.36Å; L405-F414 HydrophobicContact CD2-CZ 4.2Å; L405-F414 WeakPolarHBondContact O-CZ 3.38Å
406	T	94.6	Very high	91.6	Very high	55 Å²	55	64.6 Å²	64.6	34%	0.337	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-47.8	173.2	-56.5	0	0	0	0	110.6	D402 Q409 M410	D402-T406 WeakPolarHBondContact O-CB 3.33Å; D402-T406 PolarHBondContact O-N 3.17Å; D402-T406 PolarHBondContact O-OG1 3.22Å; T406-Q409 PolarHBondContact O-N 2.96Å; T406-M410 HydrophobicContact CG2-CE 4.07Å; T406-M410 WeakPolarHBondContact O-CG 3.39Å; T406-M410 PolarHBondContact O-N 2.63Å
407	I	95.6	Very high	91.9	Very high	67 Å²	67	67.1 Å²	67.1	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-46.5	176.3	-67.1	166.2	0	0	0	110.6	K403 D404 Q409 M410 Q411	K403-I407 HydrophobicContact CG-CD1 4.03Å; K403-I407 WeakPolarHBondContact O-CD1 3.45Å; K403-I407 VanDerWaalsContact O-CG1 3.27Å; K403-I407 WeakPolarHBondContact O-CG1 3.31Å; K403-I407 PolarHBondContact O-N 2.91Å; K403-I407 VanDerWaalsContact O-N 3.1Å; D404-I407 PolarHBondContact O-N 3.44Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 2.97Å; I407-M410 HydrophobicContact CG1-CE 4.31Å; I407-M410 PolarHBondContact O-N 3.14Å; I407-Q411 VanDerWaalsContact O-CG 3.31Å; I407-Q411 WeakPolarHBondContact O-CG 3.09Å; I407-Q411 PolarHBondContact O-N 3.2Å
408	G	96.6	Very high	92.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-36.8	179.3	0	0	0	0	0	113.3	D404 L405 Q411 G412 K413	D404-G408 PolarHBondContact O-N 3.41Å; L405-G408 PolarHBondContact O-N 3.2Å; G408-Q411 PolarHBondContact O-N 2.95Å; G408-G412 PolarHBondContact O-N 2.72Å; G408-K413 WeakPolarHBondContact O-CB 3.5Å; G408-K413 PolarHBondContact O-N 2.87Å
409	Q	95.5	Very high	93.5	Very high	62 Å²	62	64.4 Å²	64.4	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-44.5	177.7	-179.9	57.6	15.5	0	0	111.4	L405 T406 I407 Q411 G412 F414 V416	L405-Q409 VanDerWaalsContact O-CB 3.24Å; L405-Q409 WeakPolarHBondContact O-CB 3.13Å; L405-Q409 PolarHBondContact O-N 3.08Å; T406-Q409 PolarHBondContact O-N 2.96Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 2.97Å; Q409-Q411 PolarHBondContact O-N 3.47Å; Q409-G412 PolarHBondContact O-N 2.83Å; Q409-F414 HydrophobicContact CB-CE1 3.96Å; Q409-F414 HydrophobicContact CB-CE2 4.44Å; Q409-F414 HydrophobicContact CB-CZ 3.74Å; Q409-F414 PolarHBondContact OE1-O 3.28Å; Q409-V416 HydrophobicContact CG-CG2 4.15Å; Q409-V416 VanDerWaalsContact OE1-CG2 3.32Å
410	M	94.7	Very high	94	Very high	147 Å²	147	62.4 Å²	62.4	72%	0.724	33%	0.325	S	S	*	.	H	α-helix	trans	-61.5	-27.9	174.7	-69.9	-174	-62.2	0	0	112.3	T406 I407 G412	T406-M410 HydrophobicContact CG2-CE 4.07Å; T406-M410 WeakPolarHBondContact O-CG 3.39Å; T406-M410 PolarHBondContact O-N 2.63Å; I407-M410 HydrophobicContact CG1-CE 4.31Å; I407-M410 PolarHBondContact O-N 3.14Å; M410-G412 VanDerWaalsContact C-N 3.31Å
411	Q	96.7	Very high	94.6	Very high	115 Å²	115	67.1 Å²	67.1	54%	0.537	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.3	173.6	-69.1	174.2	-12.2	0	0	113.8	I407 G408 Q409 K413	I407-Q411 VanDerWaalsContact O-CG 3.31Å; I407-Q411 WeakPolarHBondContact O-CG 3.09Å; I407-Q411 PolarHBondContact O-N 3.2Å; G408-Q411 PolarHBondContact O-N 2.95Å; Q409-Q411 PolarHBondContact O-N 3.47Å; Q411-K413 VanDerWaalsContact C-N 3.33Å; Q411-K413 HydrophobicContact CB-CD 4.44Å; Q411-K413 HydrophobicContact CB-CG 4.13Å; Q411-K413 PolarHBondContact O-N 2.77Å
412	G	96.2	Very high	94.7	Very high	61 Å²	61	65.4 Å²	65.4	63%	0.629	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	23.4	180	0	0	0	0	0	114.7	G408 Q409 M410 F414	G408-G412 PolarHBondContact O-N 2.72Å; Q409-G412 PolarHBondContact O-N 2.83Å; M410-G412 VanDerWaalsContact C-N 3.31Å; G412-F414 VanDerWaalsContact C-N 3.27Å; G412-F414 PolarHBondContact O-N 3.1Å
413	K	97.4	Very high	94.7	Very high	100 Å²	100	64.8 Å²	64.8	44%	0.435	34%	0.335	S	S	.	.	S	Bend	trans	-72.9	-16.3	-176	-70.5	-179.2	170	164.1	0	114.4	L385 K391 G408 Q411	L385-K413 HydrophobicContact CD2-CB 4.21Å; L385-K413 HydrophobicContact CD2-CD 4.2Å; K391-K413 WeakPolarHBondContact CE-O 3.24Å; K391-K413 PolarHBondContact NZ-O 2.93Å; G408-K413 WeakPolarHBondContact O-CB 3.5Å; G408-K413 PolarHBondContact O-N 2.87Å; Q411-K413 VanDerWaalsContact C-N 3.33Å; Q411-K413 HydrophobicContact CB-CD 4.44Å; Q411-K413 HydrophobicContact CB-CG 4.13Å; Q411-K413 PolarHBondContact O-N 2.77Å
414	F	97.8	Very high	94.5	Very high	12 Å²	12	60.7 Å²	60.7	5%	0.053	32%	0.318	C	S	.	.	S	Bend	trans	-155.8	168.6	179.3	61.4	-78.4	0	0	0	110.7	F384 L385 K391 L393 L405 Q409 G412 V416	F384-F414 HydrophobicContact CE1-CB 4.01Å; F384-F414 AromaticContact CE1-CD1 3.86Å; F384-F414 HydrophobicContact CE1-CD1 3.86Å; F384-F414 AromaticContact CE1-CD2 3.77Å; F384-F414 HydrophobicContact CE1-CD2 3.77Å; F384-F414 HydrophobicContact CE1-CE1 4.23Å; F384-F414 HydrophobicContact CE1-CE2 4.11Å; F384-F414 AromaticContact CE1-CG 3.64Å; F384-F414 HydrophobicContact CE1-CG 3.64Å; F384-F414 HydrophobicContact CE1-CZ 4.36Å; F384-F414 HydrophobicContact CZ-CB 4.03Å; F384-F414 HydrophobicContact CZ-CD2 4.02Å; F384-F414 HydrophobicContact CZ-CG 4.04Å; L385-F414 HydrophobicContact CD2-CD1 3.8Å; L385-F414 HydrophobicContact CD2-CE1 3.71Å; K391-F414 HydrophobicContact CB-CB 3.6Å; L393-F414 HydrophobicContact CB-CD2 3.9Å; L393-F414 HydrophobicContact CB-CE2 3.92Å; L393-F414 HydrophobicContact CD2-CE2 3.73Å; L393-F414 HydrophobicContact CD2-CZ 4.49Å; L393-F414 HydrophobicContact CG-CE2 4.5Å; L405-F414 HydrophobicContact CB-CZ 4.05Å; L405-F414 HydrophobicContact CD2-CE1 4.36Å; L405-F414 HydrophobicContact CD2-CZ 4.2Å; L405-F414 WeakPolarHBondContact O-CZ 3.38Å; Q409-F414 HydrophobicContact CB-CE1 3.96Å; Q409-F414 HydrophobicContact CB-CE2 4.44Å; Q409-F414 HydrophobicContact CB-CZ 3.74Å; Q409-F414 PolarHBondContact OE1-O 3.28Å; G412-F414 VanDerWaalsContact C-N 3.27Å; G412-F414 PolarHBondContact O-N 3.1Å; F414-V416 HydrophobicContact CD2-CG2 3.63Å; F414-V416 HydrophobicContact CE2-CG2 3.21Å; F414-V416 HydrophobicContact CZ-CG2 4.15Å
415	Q	97.1	Very high	94.5	Very high	58 Å²	58	58.3 Å²	58.3	27%	0.271	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144.3	172.7	-66.6	174.8	53.6	0	0	109.5	K391 L392 L393	K391-Q415 PolarHBondContact O-N 2.9Å; L392-Q415 CarbonylContact C-O 3.56Å; L392-Q415 WeakPolarHBondContact CA-O 3.44Å; L392-Q415 HydrophobicContact CD1-CB 3.68Å; L393-Q415 PolarHBondContact N-O 2.78Å
416	V	95.9	Very high	94.6	Very high	39 Å²	39	58.1 Å²	58.1	24%	0.236	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136	175.3	175.2	0	0	0	0	109.4	L393 Q409 F414 L418	L393-V416 HydrophobicContact CB-CG2 4.25Å; L393-V416 HydrophobicContact CD2-CG2 4.43Å; L393-V416 VanDerWaalsContact O-CA 3.32Å; L393-V416 WeakPolarHBondContact O-CA 3.48Å; Q409-V416 HydrophobicContact CG-CG2 4.15Å; Q409-V416 VanDerWaalsContact OE1-CG2 3.32Å; F414-V416 HydrophobicContact CD2-CG2 3.63Å; F414-V416 HydrophobicContact CE2-CG2 3.21Å; F414-V416 HydrophobicContact CZ-CG2 4.15Å; V416-L418 HydrophobicContact CG1-CD2 4.13Å
417	Q	96.5	Very high	94.8	Very high	60 Å²	60	55.5 Å²	55.5	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.7	170.2	-178.4	62.8	57.2	0	0	110.5	L393 L394 L395 F419	L393-Q417 PolarHBondContact O-N 2.83Å; L394-Q417 WeakPolarHBondContact CA-O 3.39Å; L394-Q417 HydrophobicContact CD2-CB 3.79Å; L395-Q417 PolarHBondContact N-O 3.36Å; Q417-F419 HydrophobicContact CB-CE2 4Å; Q417-F419 HydrophobicContact CG-CD2 4.28Å; Q417-F419 HydrophobicContact CG-CE2 3.48Å; Q417-F419 VanDerWaalsContact CG-CE2 3.48Å; Q417-F419 HydrophobicContact CG-CZ 3.74Å
418	L	95.3	Very high	94.9	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.335	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.9	-178.6	-57.3	176.7	0	0	0	112.2	L395 A398 V416	L395-L418 HydrophobicContact CB-CD2 3.99Å; L395-L418 HydrophobicContact CD1-CD2 4.48Å; L395-L418 CarbonylContact O-C 3.58Å; L395-L418 WeakPolarHBondContact O-CA 3.48Å; A398-L418 HydrophobicContact CB-CD1 3.72Å; A398-L418 HydrophobicContact CB-CD2 4.07Å; V416-L418 HydrophobicContact CG1-CD2 4.13Å
419	F	95.5	Very high	95	Very high	2 Å²	2	53 Å²	53	1%	0.009	28%	0.276	C	S	.	.			trans	-130.2	68.1	179.6	-64.2	-99	0	0	0	111.1	L394 L395 A396 Q417 R421 A422 V426 T430 R433 V434 C437	L394-F419 HydrophobicContact CB-CD2 4.4Å; L394-F419 HydrophobicContact CB-CE2 3.96Å; L394-F419 HydrophobicContact CD1-CE2 4.3Å; L394-F419 HydrophobicContact CD2-CE2 3.96Å; L394-F419 HydrophobicContact CG-CE2 4.29Å; L395-F419 PolarHBondContact O-N 2.88Å; A396-F419 CarbonylContact O-C 3.59Å; A396-F419 VanDerWaalsContact O-C 3.26Å; Q417-F419 HydrophobicContact CB-CE2 4Å; Q417-F419 HydrophobicContact CG-CD2 4.28Å; Q417-F419 HydrophobicContact CG-CE2 3.48Å; Q417-F419 VanDerWaalsContact CG-CE2 3.48Å; Q417-F419 HydrophobicContact CG-CZ 3.74Å; F419-R421 PolarHBondContact O-N 2.5Å; F419-A422 HydrophobicContact CB-CB 4.04Å; F419-A422 WeakPolarHBondContact O-CB 3.46Å; F419-A422 PolarHBondContact O-N 3.23Å; F419-V426 HydrophobicContact CB-CG1 3.59Å; F419-V426 HydrophobicContact CD1-CG1 3.82Å; F419-V426 HydrophobicContact CD2-CG1 3.61Å; F419-V426 HydrophobicContact CE1-CG1 4.39Å; F419-V426 HydrophobicContact CE2-CG1 4.21Å; F419-V426 HydrophobicContact CG-CG1 3.39Å; F419-T430 WeakPolarHBondContact CD1-OG1 3.4Å; F419-R433 HydrophobicContact CD1-CB 4.21Å; F419-R433 HydrophobicContact CE1-CB 3.64Å; F419-V434 HydrophobicContact CD1-CG2 4.32Å; F419-V434 HydrophobicContact CE1-CG2 3.71Å; F419-V434 HydrophobicContact CZ-CG2 3.86Å; F419-C437 HydrophobicContact CZ-CB 4.28Å
420	P	90.6	Very high	95.1	Very high	105 Å²	105	50.7 Å²	50.7	68%	0.682	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.7	-171.7	25.2	-36.2	0	0	0	115.4	A396	A396-P420 VanDerWaalsContact O-CA 3.23Å; A396-P420 WeakPolarHBondContact O-CA 3.32Å
421	R	87.5	Confident	95.2	Very high	170 Å²	170	43.9 Å²	43.9	64%	0.642	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-7.6	177.3	-61.3	-170.6	-60.7	-177.6	1.5	113.4	R204 F419	R204-R421 PolarHBondContact NH1-O 3.14Å; F419-R421 PolarHBondContact O-N 2.5Å
422	A	91.7	Very high	95.3	Very high	9 Å²	9	42.5 Å²	42.5	7%	0.074	23%	0.229	C	C	.	.			trans	-86.8	151.7	176.3	0	0	0	0	0	110.6	F419 V426 D429	F419-A422 HydrophobicContact CB-CB 4.04Å; F419-A422 WeakPolarHBondContact O-CB 3.46Å; F419-A422 PolarHBondContact O-N 3.23Å; A422-V426 HydrophobicContact CB-CB 4.17Å; A422-V426 HydrophobicContact CB-CG1 4.08Å; A422-V426 HydrophobicContact CB-CG2 3.94Å; A422-D429 HydrophobicContact CB-CB 4.01Å
423	G	90.9	Very high	95.3	Very high	15 Å²	15	43.2 Å²	43.2	16%	0.155	21%	0.213	C	C	.	.			trans	-83	-146.8	160.1	0	0	0	0	0	110.6	A396 D429	A396-G423 WeakPolarHBondContact CB-O 3.32Å; G423-D429 WeakPolarHBondContact CA-OD2 3.17Å; G423-D429 PolarHBondContact N-OD2 2.91Å
424	H	88.8	Confident	95.4	Very high	78 Å²	78	38.5 Å²	38.5	36%	0.361	19%	0.193	S	C	.	.	S	Bend	trans	-67	-36.8	-176.7	-173.3	67.3	0	0	0	113.4	H137 S138 D163 V426	H137-H424 AromaticContact CE1-CD2 3.6Å; H137-H424 AromaticContact CE1-NE2 3.69Å; H137-H424 AromaticContact NE2-CD2 3.59Å; H137-H424 AromaticContact NE2-NE2 3.6Å; H137-H424 PolarHBondContact NE2-O 3.3Å; S138-H424 WeakPolarHBondContact CB-NE2 3.38Å; S138-H424 PolarHBondContact OG-NE2 2.78Å; D163-H424 WeakPolarHBondContact OD2-CA 3.32Å; D163-H424 IonicContact OD2-CE1 3.68Å; D163-H424 IonicContact OD2-CG 3.26Å; D163-H424 IonicContact OD2-ND1 3.51Å; D163-H424 PolarHBondContact OD2-ND1 2.82Å; D163-H424 VanDerWaalsContact OD2-ND1 3.15Å; H424-V426 PolarHBondContact O-N 2.87Å
425	A	94.9	Very high	95.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	19%	0.19	C	C	.	.			trans	-93.4	67.6	-178.2	0	0	0	0	0	111	F69 Q427 E428 D429	F69-A425 HydrophobicContact CE1-CB 4.26Å; F69-A425 HydrophobicContact CZ-CB 4.47Å; A425-Q427 PolarHBondContact O-N 3.05Å; A425-Q427 VanDerWaalsContact O-N 3.15Å; A425-E428 HydrophobicContact CB-CB 4.07Å; A425-E428 HydrophobicContact CB-CG 4.18Å; A425-E428 PolarHBondContact O-N 2.85Å; A425-D429 PolarHBondContact O-N 3.07Å
426	V	97	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-52.1	-40	-175.8	-177.6	0	0	0	0	112.9	I162 D163 A396 F419 A422 H424 E428 T430 V434	I162-V426 HydrophobicContact CG2-CB 3.85Å; I162-V426 HydrophobicContact CG2-CG2 4.22Å; D163-V426 HydrophobicContact CB-CG2 4.28Å; A396-V426 HydrophobicContact CB-CG2 4.07Å; F419-V426 HydrophobicContact CB-CG1 3.59Å; F419-V426 HydrophobicContact CD1-CG1 3.82Å; F419-V426 HydrophobicContact CD2-CG1 3.61Å; F419-V426 HydrophobicContact CE1-CG1 4.39Å; F419-V426 HydrophobicContact CE2-CG1 4.21Å; F419-V426 HydrophobicContact CG-CG1 3.39Å; A422-V426 HydrophobicContact CB-CB 4.17Å; A422-V426 HydrophobicContact CB-CG1 4.08Å; A422-V426 HydrophobicContact CB-CG2 3.94Å; H424-V426 PolarHBondContact O-N 2.87Å; V426-E428 VanDerWaalsContact C-N 3.29Å; V426-E428 PolarHBondContact O-N 2.67Å; V426-T430 PolarHBondContact O-N 3.5Å; V426-T430 VanDerWaalsContact O-N 3.09Å; V426-T430 PolarHBondContact O-OG1 2.8Å; V426-V434 HydrophobicContact CG1-CG2 3.83Å
427	Q	98.2	Very high	95.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-25.7	177	70.8	-76.2	-3.6	0	0	114.1	T73 W74 L77 H137 I162 A425 P431	T73-Q427 HydrophobicContact CG2-CG 3.72Å; W74-Q427 HydrophobicContact CE3-CB 4.14Å; W74-Q427 HydrophobicContact CE3-CG 3.9Å; W74-Q427 HydrophobicContact CH2-CB 4.4Å; W74-Q427 HydrophobicContact CH2-CG 4Å; W74-Q427 HydrophobicContact CZ3-CB 3.68Å; W74-Q427 HydrophobicContact CZ3-CG 3.58Å; L77-Q427 HydrophobicContact CD2-CB 4.33Å; H137-Q427 PolarHBondContact CD2-OE1 2.78Å; H137-Q427 PolarHBondContact ND1-NE2 3.25Å; H137-Q427 VanDerWaalsContact ND1-NE2 3.16Å; I162-Q427 HydrophobicContact CD1-CB 4.14Å; A425-Q427 PolarHBondContact O-N 3.05Å; A425-Q427 VanDerWaalsContact O-N 3.15Å; Q427-P431 WeakPolarHBondContact O-CA 3.33Å; Q427-P431 WeakPolarHBondContact O-CB 3.48Å
428	E	98.3	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-92.7	-36.1	177.5	-61.2	-157.1	-130.9	0	0	111.4	F69 T73 I203 N205 S208 S212 A425 V426 P431	F69-E428 WeakPolarHBondContact CD1-OE1 3.32Å; T73-E428 VanDerWaalsContact CB-OE1 3.31Å; T73-E428 WeakPolarHBondContact CB-OE1 3.39Å; T73-E428 HydrophobicContact CG2-CG 3.74Å; T73-E428 VanDerWaalsContact CG2-OE1 3.26Å; T73-E428 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E428 PolarHBondContact OG1-OE1 2.98Å; I203-E428 WeakPolarHBondContact CD1-OE2 3.3Å; I203-E428 HydrophobicContact CG2-CB 3.89Å; N205-E428 WeakPolarHBondContact CB-O 3.45Å; S208-E428 WeakPolarHBondContact CB-O 3.25Å; S208-E428 PolarHBondContact OG-O 2.95Å; S212-E428 VanDerWaalsContact CB-OE2 3.22Å; S212-E428 WeakPolarHBondContact CB-OE2 3.27Å; S212-E428 PolarHBondContact OG-OE2 3.47Å; A425-E428 HydrophobicContact CB-CB 4.07Å; A425-E428 HydrophobicContact CB-CG 4.18Å; A425-E428 PolarHBondContact O-N 2.85Å; V426-E428 VanDerWaalsContact C-N 3.29Å; V426-E428 PolarHBondContact O-N 2.67Å; E428-P431 WeakPolarHBondContact O-CD 3.24Å
429	D	97.9	Very high	95.7	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-73.9	-39.7	-176.2	-71.7	-12.6	0	0	0	112.8	R204 A422 G423 A425	R204-D429 HydrophobicContact CB-CB 4.28Å; R204-D429 WeakPolarHBondContact CB-OD1 3.32Å; R204-D429 PolarHBondContact N-OD1 3.31Å; R204-D429 IonicContact NE-OD2 3.86Å; A422-D429 HydrophobicContact CB-CB 4.01Å; G423-D429 WeakPolarHBondContact CA-OD2 3.17Å; G423-D429 PolarHBondContact N-OD2 2.91Å; A425-D429 PolarHBondContact O-N 3.07Å
430	T	97.4	Very high	95.8	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.092	18%	0.182	C	C	.	.	S	Bend	trans	-134	58.4	-178.7	54.5	0	0	0	0	112.1	F419 V426 D432 R433 V434	F419-T430 WeakPolarHBondContact CD1-OG1 3.4Å; V426-T430 PolarHBondContact O-N 3.5Å; V426-T430 VanDerWaalsContact O-N 3.09Å; V426-T430 PolarHBondContact O-OG1 2.8Å; T430-D432 VanDerWaalsContact C-OD1 3.28Å; T430-D432 PolarHBondContact O-N 3.46Å; T430-R433 PolarHBondContact O-N 2.64Å; T430-V434 WeakPolarHBondContact O-CG2 3.19Å; T430-V434 PolarHBondContact O-N 3.41Å
431	P	98.1	Very high	96.2	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-30.4	-172	26.2	-35	0	0	0	112.6	V76 L77 L80 Q427 E428 A435	V76-P431 HydrophobicContact CB-CB 4.18Å; V76-P431 HydrophobicContact CB-CG 4.23Å; V76-P431 HydrophobicContact CG1-CB 3.83Å; V76-P431 HydrophobicContact CG1-CG 3.59Å; L77-P431 WeakPolarHBondContact CD1-O 3.19Å; L80-P431 HydrophobicContact CD1-CB 3.89Å; L80-P431 HydrophobicContact CD1-CG 4.16Å; Q427-P431 WeakPolarHBondContact O-CA 3.33Å; Q427-P431 WeakPolarHBondContact O-CB 3.48Å; E428-P431 WeakPolarHBondContact O-CD 3.24Å; P431-A435 VanDerWaalsContact O-CB 3.28Å; P431-A435 WeakPolarHBondContact O-CB 3.27Å; P431-A435 PolarHBondContact O-N 3.26Å
432	D	97.8	Very high	96.7	Very high	85 Å²	85	24.6 Å²	24.6	46%	0.455	12%	0.119	S	C	.	.	H	α-helix	trans	-60.5	-51.1	174	61	-49.4	0	0	0	112.2	L80 T430 V434 A435 E436	L80-D432 HydrophobicContact CD1-CB 4.35Å; T430-D432 VanDerWaalsContact C-OD1 3.28Å; T430-D432 PolarHBondContact O-N 3.46Å; D432-V434 VanDerWaalsContact C-N 3.35Å; D432-A435 WeakPolarHBondContact O-CB 3.34Å; D432-A435 PolarHBondContact O-N 3.29Å; D432-E436 PolarHBondContact O-N 3.26Å
433	R	97.4	Very high	97	Very high	77 Å²	77	27 Å²	27	29%	0.291	13%	0.133	S	C	.	.	H	α-helix	trans	-71.2	-33.5	-179.6	-59.8	-169.7	70.3	-155.2	2.4	111.8	F419 T430 C437	F419-R433 HydrophobicContact CD1-CB 4.21Å; F419-R433 HydrophobicContact CE1-CB 3.64Å; T430-R433 PolarHBondContact O-N 2.64Å; R433-C437 WeakPolarHBondContact O-CB 3.22Å; R433-C437 PolarHBondContact O-N 3.02Å
434	V	98.3	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-42.9	174.3	174.9	0	0	0	0	110.3	L77 L394 F419 V426 T430 D432 E436 C437 L438	L77-V434 HydrophobicContact CD1-CB 4.09Å; L77-V434 HydrophobicContact CD1-CG1 3.81Å; L77-V434 HydrophobicContact CD2-CG1 3.92Å; L394-V434 HydrophobicContact CD1-CG1 3.9Å; L394-V434 HydrophobicContact CD1-CG2 4.48Å; F419-V434 HydrophobicContact CD1-CG2 4.32Å; F419-V434 HydrophobicContact CE1-CG2 3.71Å; F419-V434 HydrophobicContact CZ-CG2 3.86Å; V426-V434 HydrophobicContact CG1-CG2 3.83Å; T430-V434 WeakPolarHBondContact O-CG2 3.19Å; T430-V434 PolarHBondContact O-N 3.41Å; D432-V434 VanDerWaalsContact C-N 3.35Å; V434-E436 PolarHBondContact O-N 3.03Å; V434-C437 PolarHBondContact O-N 2.94Å; V434-L438 HydrophobicContact CG1-CD1 4.11Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 WeakPolarHBondContact O-CB 3.43Å; V434-L438 WeakPolarHBondContact O-CG 3.33Å; V434-L438 PolarHBondContact O-N 3.2Å
435	A	98.4	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-49	173.7	0	0	0	0	0	111.1	L77 L80 I81 Q84 P431 D432 C437 L438 A439	L77-A435 HydrophobicContact CD1-CB 3.78Å; L80-A435 HydrophobicContact CB-CB 3.79Å; I81-A435 HydrophobicContact CB-CB 4.33Å; I81-A435 VanDerWaalsContact CD1-O 3.28Å; I81-A435 WeakPolarHBondContact CD1-O 3.24Å; Q84-A435 PolarHBondContact OE1-O 3.38Å; P431-A435 VanDerWaalsContact O-CB 3.28Å; P431-A435 WeakPolarHBondContact O-CB 3.27Å; P431-A435 PolarHBondContact O-N 3.26Å; D432-A435 WeakPolarHBondContact O-CB 3.34Å; D432-A435 PolarHBondContact O-N 3.29Å; A435-C437 VanDerWaalsContact C-N 3.31Å; A435-C437 PolarHBondContact O-N 3.47Å; A435-L438 PolarHBondContact O-N 3.47Å; A435-A439 WeakPolarHBondContact O-CB 3Å; A435-A439 PolarHBondContact O-N 3.38Å
436	E	97.7	Very high	97.7	Very high	89 Å²	89	44.3 Å²	44.3	42%	0.416	19%	0.194	S	C	.	.	H	α-helix	trans	-59.6	-42	178.7	-162.9	-151	135.3	0	0	112	Q84 D432 V434 R440	Q84-E436 VanDerWaalsContact OE1-CA 3.31Å; D432-E436 PolarHBondContact O-N 3.26Å; V434-E436 PolarHBondContact O-N 3.03Å; E436-R440 WeakPolarHBondContact O-CB 3.32Å; E436-R440 WeakPolarHBondContact O-CG 3.24Å; E436-R440 PolarHBondContact O-N 3.08Å; E436-R440 IonicContact OE1-CZ 3.5Å; E436-R440 VanDerWaalsContact OE1-CZ 3.26Å; E436-R440 IonicContact OE1-NE 2.81Å; E436-R440 PolarHBondContact OE1-NE 3.17Å; E436-R440 IonicContact OE1-NH2 2.94Å; E436-R440 PolarHBondContact OE1-NH2 3.2Å; E436-R440 IonicContact OE2-NH2 2.7Å
437	C	97.8	Very high	97.7	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-43.2	176.8	-170.4	0	0	0	0	112.4	F419 R433 V434 A435 F441	F419-C437 HydrophobicContact CZ-CB 4.28Å; R433-C437 WeakPolarHBondContact O-CB 3.22Å; R433-C437 PolarHBondContact O-N 3.02Å; V434-C437 PolarHBondContact O-N 2.94Å; A435-C437 VanDerWaalsContact C-N 3.31Å; A435-C437 PolarHBondContact O-N 3.47Å; C437-F441 WeakPolarHBondContact O-CB 3.39Å; C437-F441 PolarHBondContact O-N 3.17Å
438	L	98.3	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-45.3	176.6	-73.6	177.7	0	0	0	111.2	L77 I81 V160 L392 V434 A435 R440 F441 L442	L77-L438 HydrophobicContact CD1-CD1 4.28Å; L77-L438 HydrophobicContact CD2-CD1 3.92Å; L77-L438 HydrophobicContact CG-CD1 4.49Å; I81-L438 HydrophobicContact CD1-CB 3.92Å; V160-L438 HydrophobicContact CB-CD2 4.4Å; V160-L438 HydrophobicContact CG1-CD2 4.02Å; V160-L438 HydrophobicContact CG2-CD2 3.83Å; L392-L438 HydrophobicContact CD2-CD2 4.16Å; V434-L438 HydrophobicContact CG1-CD1 4.11Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 WeakPolarHBondContact O-CB 3.43Å; V434-L438 WeakPolarHBondContact O-CG 3.33Å; V434-L438 PolarHBondContact O-N 3.2Å; A435-L438 PolarHBondContact O-N 3.47Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 2.92Å; L438-F441 WeakPolarHBondContact O-CB 3.22Å; L438-F441 PolarHBondContact O-N 3.34Å; L438-F441 VanDerWaalsContact O-N 3.12Å; L438-L442 VanDerWaalsContact O-CG 3.29Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 3.22Å
439	A	98.1	Very high	97.1	Very high	11 Å²	11	54.3 Å²	54.3	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-49.3	176.2	0	0	0	0	0	111	I81 Q84 V85 A435 F441 L442 V443	I81-A439 HydrophobicContact CD1-CB 3.8Å; Q84-A439 HydrophobicContact CB-CB 4.25Å; V85-A439 HydrophobicContact CG1-CB 3.7Å; A435-A439 WeakPolarHBondContact O-CB 3Å; A435-A439 PolarHBondContact O-N 3.38Å; A439-F441 VanDerWaalsContact C-N 3.32Å; A439-F441 PolarHBondContact O-N 2.83Å; A439-L442 PolarHBondContact O-N 2.86Å; A439-V443 WeakPolarHBondContact O-CG2 3.16Å; A439-V443 PolarHBondContact O-N 2.97Å
440	R	97.7	Very high	96.7	Very high	109 Å²	109	56.9 Å²	56.9	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-42.3	175.4	-76.4	-171.7	-93.6	104	-6.9	112.3	E436 L438 R444	E436-R440 WeakPolarHBondContact O-CB 3.32Å; E436-R440 WeakPolarHBondContact O-CG 3.24Å; E436-R440 PolarHBondContact O-N 3.08Å; E436-R440 IonicContact OE1-CZ 3.5Å; E436-R440 VanDerWaalsContact OE1-CZ 3.26Å; E436-R440 IonicContact OE1-NE 2.81Å; E436-R440 PolarHBondContact OE1-NE 3.17Å; E436-R440 IonicContact OE1-NH2 2.94Å; E436-R440 PolarHBondContact OE1-NH2 3.2Å; E436-R440 IonicContact OE2-NH2 2.7Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 2.92Å; R440-R444 WeakPolarHBondContact O-CB 3.49Å; R440-R444 PolarHBondContact O-N 3.06Å
441	F	98.2	Very high	96.2	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-44.8	177	174.2	-98.3	0	0	0	112.5	I133 V160 P390 L392 C437 L438 A439 N445 F447	I133-F441 HydrophobicContact CG2-CE1 4.47Å; V160-F441 HydrophobicContact CG2-CE1 4.3Å; P390-F441 HydrophobicContact CB-CE2 4.14Å; P390-F441 HydrophobicContact CB-CZ 3.87Å; L392-F441 HydrophobicContact CB-CD2 3.84Å; L392-F441 HydrophobicContact CB-CE2 3.85Å; L392-F441 HydrophobicContact CB-CG 4.31Å; L392-F441 HydrophobicContact CB-CZ 4.34Å; L392-F441 HydrophobicContact CD2-CB 3.86Å; L392-F441 HydrophobicContact CD2-CD2 4.14Å; L392-F441 HydrophobicContact CD2-CG 3.93Å; L392-F441 HydrophobicContact CG-CD2 4.44Å; C437-F441 WeakPolarHBondContact O-CB 3.39Å; C437-F441 PolarHBondContact O-N 3.17Å; L438-F441 WeakPolarHBondContact O-CB 3.22Å; L438-F441 PolarHBondContact O-N 3.34Å; L438-F441 VanDerWaalsContact O-N 3.12Å; A439-F441 VanDerWaalsContact C-N 3.32Å; A439-F441 PolarHBondContact O-N 2.83Å; F441-N445 VanDerWaalsContact CD2-ND2 3.35Å; F441-N445 WeakPolarHBondContact CD2-ND2 3.3Å; F441-N445 VanDerWaalsContact CE2-ND2 3.27Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.22Å; F441-N445 PolarHBondContact O-N 3.22Å; F441-N445 VanDerWaalsContact O-N 3.16Å; F441-N445 PolarHBondContact O-ND2 3.42Å; F441-F447 HydrophobicContact CE1-CE2 4.08Å; F441-F447 HydrophobicContact CZ-CE2 4.44Å
442	L	98.2	Very high	95.1	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-45.7	179.5	-65.8	173.3	0	0	0	111.8	P59 L61 V85 I133 L438 A439 N445 R446 F447 T448	P59-L442 HydrophobicContact CG-CD2 4.47Å; L61-L442 HydrophobicContact CD1-CD1 4.38Å; L61-L442 HydrophobicContact CD2-CD1 4.13Å; L61-L442 HydrophobicContact CD2-CD2 4.02Å; V85-L442 HydrophobicContact CG2-CD1 3.99Å; I133-L442 HydrophobicContact CD1-CD2 3.82Å; I133-L442 HydrophobicContact CG1-CD2 3.84Å; L438-L442 VanDerWaalsContact O-CG 3.29Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 3.22Å; A439-L442 PolarHBondContact O-N 2.86Å; L442-N445 PolarHBondContact O-N 3.42Å; L442-R446 PolarHBondContact O-N 3.42Å; L442-F447 HydrophobicContact CD2-CB 4.26Å; L442-F447 HydrophobicContact CD2-CD2 3.89Å; L442-F447 PolarHBondContact O-N 2.77Å; L442-T448 HydrophobicContact CB-CG2 3.72Å; L442-T448 HydrophobicContact CD1-CG2 4.33Å
443	V	97.3	Very high	93.3	Very high	61 Å²	61	70.7 Å²	70.7	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-44.9	178.3	173.4	0	0	0	0	111	V85 A439 N445 R446 T448	V85-V443 HydrophobicContact CG1-CG2 4.13Å; A439-V443 WeakPolarHBondContact O-CG2 3.16Å; A439-V443 PolarHBondContact O-N 2.97Å; V443-N445 VanDerWaalsContact C-N 3.27Å; V443-N445 PolarHBondContact O-N 2.78Å; V443-R446 PolarHBondContact O-N 3.36Å; V443-T448 HydrophobicContact CG2-CG2 4.49Å
444	R	97	Very high	90.5	Very high	182 Å²	182	75.7 Å²	75.7	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-57.3	-40.2	178.7	176.4	-179.8	170.9	102.2	1.4	112.4	R440 R446	R440-R444 WeakPolarHBondContact O-CB 3.49Å; R440-R444 PolarHBondContact O-N 3.06Å; R444-R446 VanDerWaalsContact C-N 3.29Å
445	N	97.3	Very high	90.1	Very high	45 Å²	45	79.5 Å²	79.5	24%	0.241	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	8	179.4	-65.9	-74.1	0	0	0	113.2	P390 F441 L442 V443 F447	P390-N445 WeakPolarHBondContact CB-OD1 3.36Å; F441-N445 VanDerWaalsContact CD2-ND2 3.35Å; F441-N445 WeakPolarHBondContact CD2-ND2 3.3Å; F441-N445 VanDerWaalsContact CE2-ND2 3.27Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.22Å; F441-N445 PolarHBondContact O-N 3.22Å; F441-N445 VanDerWaalsContact O-N 3.16Å; F441-N445 PolarHBondContact O-ND2 3.42Å; L442-N445 PolarHBondContact O-N 3.42Å; V443-N445 VanDerWaalsContact C-N 3.27Å; V443-N445 PolarHBondContact O-N 2.78Å; N445-F447 HydrophobicContact CB-CD1 4.31Å; N445-F447 HydrophobicContact CB-CD2 3.81Å; N445-F447 HydrophobicContact CB-CE1 3.99Å; N445-F447 HydrophobicContact CB-CE2 3.46Å; N445-F447 VanDerWaalsContact CB-CE2 3.46Å; N445-F447 HydrophobicContact CB-CG 4.23Å; N445-F447 HydrophobicContact CB-CZ 3.55Å; N445-F447 WeakPolarHBondContact O-CD1 3.06Å; N445-F447 PolarHBondContact O-N 2.97Å
446	R	96.6	Very high	89.7	Confident	229 Å²	229	83.7 Å²	83.7	86%	0.864	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	32.8	178.2	-51.7	179.8	-177.7	179.2	-0.5	113.6	L442 V443 R444	L442-R446 PolarHBondContact O-N 3.42Å; V443-R446 PolarHBondContact O-N 3.36Å; R444-R446 VanDerWaalsContact C-N 3.29Å
447	F	95.3	Very high	89.2	Confident	45 Å²	45	83.4 Å²	83.4	20%	0.197	43%	0.425	C	S	.	.	S	Bend	trans	-80.9	-23.5	173.5	-58.3	-34.3	0	0	0	112.2	P59 I133 A157 P390 F441 L442 N445	P59-F447 HydrophobicContact CB-CB 4.45Å; P59-F447 WeakPolarHBondContact CD-O 3.21Å; P59-F447 HydrophobicContact CG-CB 4.19Å; I133-F447 HydrophobicContact CD1-CD2 4.25Å; I133-F447 HydrophobicContact CG1-CD2 4.17Å; I133-F447 HydrophobicContact CG1-CE2 4.35Å; A157-F447 HydrophobicContact CB-CD1 4.37Å; A157-F447 HydrophobicContact CB-CE1 3.99Å; A157-F447 HydrophobicContact CB-CZ 4.19Å; A157-F447 WeakPolarHBondContact O-CZ 3.31Å; P390-F447 HydrophobicContact CB-CZ 4.34Å; P390-F447 HydrophobicContact CG-CZ 4Å; F441-F447 HydrophobicContact CE1-CE2 4.08Å; F441-F447 HydrophobicContact CZ-CE2 4.44Å; L442-F447 HydrophobicContact CD2-CB 4.26Å; L442-F447 HydrophobicContact CD2-CD2 3.89Å; L442-F447 PolarHBondContact O-N 2.77Å; N445-F447 HydrophobicContact CB-CD1 4.31Å; N445-F447 HydrophobicContact CB-CD2 3.81Å; N445-F447 HydrophobicContact CB-CE1 3.99Å; N445-F447 HydrophobicContact CB-CE2 3.46Å; N445-F447 VanDerWaalsContact CB-CE2 3.46Å; N445-F447 HydrophobicContact CB-CG 4.23Å; N445-F447 HydrophobicContact CB-CZ 3.55Å; N445-F447 WeakPolarHBondContact O-CD1 3.06Å; N445-F447 PolarHBondContact O-N 2.97Å
448	T	95.6	Very high	88.7	Confident	20 Å²	20	88 Å²	88	12%	0.123	45%	0.448	C	S	.	.			trans	-159.4	178.4	178.2	-163.5	0	0	0	0	110.9	V85 K86 L442 V443	V85-T448 HydrophobicContact CB-CG2 3.8Å; V85-T448 HydrophobicContact CG1-CG2 4.14Å; V85-T448 HydrophobicContact CG2-CG2 4.23Å; K86-T448 WeakPolarHBondContact O-CB 3.43Å; K86-T448 PolarHBondContact O-OG1 3.33Å; L442-T448 HydrophobicContact CB-CG2 3.72Å; L442-T448 HydrophobicContact CD1-CG2 4.33Å; V443-T448 HydrophobicContact CG2-CG2 4.49Å
449	E	89.5	Confident	88.1	Confident	146 Å²	146	93.4 Å²	93.4	68%	0.682	48%	0.476	S	S	*	.			trans	-112	151.4	174.3	-63.1	175.6	174.5	0	0	110.2
450	A	88.9	Confident	87.4	Confident	68 Å²	68	98.9 Å²	98.9	56%	0.562	50%	0.501	S	S	*	.	B	Isolated β-bridge	trans	-62.8	140.9	169.2	0	0	0	0	0	109.7	S452	A450-S452 PolarHBondContact O-N 3.05Å
451	R	86.8	Confident	86.7	Confident	117 Å²	117	98.2 Å²	98.2	44%	0.442	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-67.8	128.7	166.7	-74.2	179.4	177.1	-100.2	1.2	107.1	T82 D83 Q84 V85 K86 D453	T82-R451 WeakPolarHBondContact O-CD 3.31Å; T82-R451 PolarHBondContact O-NE 3.22Å; D83-R451 WeakPolarHBondContact O-CD 3.15Å; Q84-R451 PolarHBondContact O-N 3.17Å; V85-R451 PolarHBondContact O-NE 3.14Å; K86-R451 HydrophobicContact CG-CG 4.33Å; R451-D453 PolarHBondContact O-N 3.44Å
452	S	75.2	Confident	85.8	Confident	104 Å²	104	105.6 Å²	105.6	73%	0.727	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-59	130	170.1	51.5	0	0	0	0	108.4	A450 S454	A450-S452 PolarHBondContact O-N 3.05Å; S452-S454 PolarHBondContact O-N 3.38Å
453	D	60.3	Low	84.8	Confident	172 Å²	172	114.3 Å²	114.3	92%	0.92	59%	0.591	S	S	*	*			trans	-51.2	109	169	-65.9	-30.5	0	0	0	107.9	R451	R451-D453 PolarHBondContact O-N 3.44Å
454	S	38	Very low	83.7	Confident	183 Å²	183	119.2 Å²	119.2	100%	1.28	61%	0.611	S	S	*	*			trans	-81.1	0	176.8	53.7	0	0	0	0	111.5	S452	S452-S454 PolarHBondContact O-N 3.38Å

Retrieved 454 of 454 residues in 76.4 ms (Link to these results)

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