A0A3Q0KF15_SCHMA Loading...

18S rRNA aminocarboxypropyltransferase

Aminocarboxypropyltransferase that catalyzes the aminocarboxypropyl transfer on pseudouridine in 18S rRNA. It constitutes the last step in biosynthesis of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine (m1acp3-Psi).

AlphaFold DB (A0A5K4ED79), UniProt , Accession A0A3Q0KF15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 aa.

Structure Viewer

Loading PAE data...

(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	33.6	Very low	32.7	Very low	252 Å²	252	175.7 Å²	175.7	100%	1.241	89%	0.885	S	S	*	*				0	141.6	0	-92.9	169.2	138.2	0	0	109.6
2	K	31.7	Very low	32.8	Very low	207 Å²	207	176.6 Å²	176.6	90%	0.9	88%	0.879	S	S	*	*			trans	-77	147.4	-152.9	-71.2	170.8	170.9	173.1	0	115.7
3	T	29.8	Very low	32.7	Very low	128 Å²	128	181.2 Å²	181.2	79%	0.785	88%	0.882	S	S	*	*			trans	-41.9	150.4	163.2	26.3	0	0	0	0	116.5
4	K	34.6	Very low	32.6	Very low	216 Å²	216	181.1 Å²	181.1	94%	0.939	88%	0.88	S	S	*	*			trans	-145.2	98.1	140.3	-96.9	-174.9	-178.8	177.2	0	110.7
5	R	32.2	Very low	32.4	Very low	234 Å²	234	184.2 Å²	184.2	88%	0.883	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-81.6	138.2	158.1	-83.8	179.1	171.4	168.4	-2.9	108.3
6	K	37.1	Very low	32.4	Very low	211 Å²	211	181.4 Å²	181.4	92%	0.917	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-97.8	116.7	164.1	-86.6	-176.6	173	-179.3	0	108.9
7	H	31.1	Very low	32.5	Very low	180 Å²	180	181.2 Å²	181.2	83%	0.833	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-76.8	139.3	164.2	-101.3	-86.3	0	0	0	109.4
8	L	34.3	Very low	32.7	Very low	169 Å²	169	176.2 Å²	176.2	89%	0.885	86%	0.864	S	S	*	*			trans	-119.4	133.3	151.1	-101.1	93.2	0	0	0	108.3
9	S	33.2	Very low	32.5	Very low	115 Å²	115	176.7 Å²	176.7	80%	0.804	86%	0.864	S	S	*	*			trans	-87.8	149.1	-169.4	47.7	0	0	0	0	113.4
10	S	29.5	Very low	32.6	Very low	118 Å²	118	175.2 Å²	175.2	83%	0.825	87%	0.866	S	S	*	*			trans	-74.3	140.4	162.2	152.2	0	0	0	0	110.5
11	S	32.2	Very low	32.7	Very low	103 Å²	103	175.9 Å²	175.9	72%	0.72	87%	0.866	S	S	*	*			trans	-174.7	129.5	136.8	62	0	0	0	0	111.2
12	K	34.1	Very low	32.8	Very low	186 Å²	186	170.7 Å²	170.7	81%	0.809	85%	0.849	S	S	*	*			trans	152.1	104.2	136.7	-90.5	-176.4	174.1	-178.4	0	109.3
13	Y	31.8	Very low	32.9	Very low	236 Å²	236	167 Å²	167	93%	0.925	85%	0.848	S	S	*	*				164.7	93.9	127.6	-96.1	-77.1	0	0	0	107.9
14	E	30.8	Very low	33.1	Very low	181 Å²	181	163.9 Å²	163.9	85%	0.846	84%	0.84	S	S	*	*			trans	-136.9	145.5	165.2	-105.2	-176.6	179.4	0	0	107.5
15	R	30.8	Very low	33.2	Very low	227 Å²	227	159.1 Å²	159.1	86%	0.857	83%	0.834	S	S	*	*			trans	97.5	107.6	175.3	-64.8	-176.7	-105.6	173.4	-8	115.8
16	D	32	Very low	33.2	Very low	139 Å²	139	155.5 Å²	155.5	74%	0.743	83%	0.832	S	S	*	*				-174.3	161.5	94.8	-89.5	-27.1	0	0	0	112.8
17	M	33.3	Very low	33.1	Very low	178 Å²	178	153.7 Å²	153.7	88%	0.877	83%	0.832	S	S	*	*			trans	103.2	99.7	159.3	-57.6	-66.4	152.7	0	0	118.1
18	A	36	Very low	33.2	Very low	92 Å²	92	152.9 Å²	152.9	76%	0.76	83%	0.834	S	S	*	*			trans	-92.4	146	163.7	0	0	0	0	0	111.4
19	E	30.3	Very low	33.3	Very low	185 Å²	185	152.6 Å²	152.6	86%	0.864	83%	0.833	S	S	*	*			trans	21.1	119.1	152.2	-63.9	178.1	168.8	0	0	121.2
20	T	33.5	Very low	33.8	Very low	146 Å²	146	156.2 Å²	156.2	90%	0.896	84%	0.837	S	S	*	*			trans	-142.5	118.7	143	24.8	0	0	0	0	110
21	H	34.3	Very low	35	Very low	191 Å²	191	154.9 Å²	154.9	88%	0.884	83%	0.833	S	S	*	*			trans	-80.6	123.8	170.7	-107.9	-82.5	0	0	0	109.8
22	V	37.4	Very low	36.5	Very low	143 Å²	143	155.6 Å²	155.6	87%	0.867	84%	0.836	S	S	*	*			trans	-141.1	131.6	154.9	-177.7	0	0	0	0	109.5
23	C	33.3	Very low	38.7	Very low	130 Å²	130	157.9 Å²	157.9	88%	0.878	84%	0.839	S	S	*	*			trans	-70.3	151.2	-176.1	-172.5	0	0	0	0	113.4
24	G	33.8	Very low	41.6	Very low	61 Å²	61	152.8 Å²	152.8	63%	0.629	82%	0.822	S	S	*	*			trans	133.2	116.5	145.4	0	0	0	0	0	117.4
25	S	37.4	Very low	44.8	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	78%	0.784	S	S	*	*			trans	73	96.3	154.3	57.1	0	0	0	0	120.2
26	N	31.7	Very low	47.9	Very low	158 Å²	158	137.8 Å²	137.8	85%	0.845	76%	0.764	S	S	*	*				28.9	105.3	128.3	-68	-17.9	0	0	0	118.2
27	L	35.2	Very low	51.1	Low	173 Å²	173	131.3 Å²	131.3	91%	0.906	73%	0.729	S	S	*	*			trans	-160.7	103.7	133.1	-91.6	171.3	0	0	0	106.7	N29	L27-N29 PolarHBondContact O-N 3.5Å; L27-N29 VanDerWaalsContact O-N 3.08Å
28	N	32.8	Very low	54.2	Low	164 Å²	164	122.8 Å²	122.8	88%	0.877	69%	0.687	S	S	*	*			trans	-59.7	109.9	177	-78.4	-19.2	0	0	0	110.3
29	N	36.4	Very low	57.1	Low	163 Å²	163	118.4 Å²	118.4	87%	0.872	65%	0.651	S	S	*	*			trans	-146.9	66	167	-111.7	-10.8	0	0	0	108	L27 A31	L27-N29 PolarHBondContact O-N 3.5Å; L27-N29 VanDerWaalsContact O-N 3.08Å; N29-A31 PolarHBondContact O-N 3.43Å
30	E	43.3	Very low	60.2	Low	191 Å²	191	109.6 Å²	109.6	89%	0.893	61%	0.61	S	S	*	*			trans	-70.7	115.5	169.6	-76.8	-169.9	157.6	0	0	108.8
31	A	55.1	Low	63.1	Low	89 Å²	89	103.4 Å²	103.4	74%	0.736	57%	0.571	S	S	*	*			trans	-58.2	133.6	173.2	0	0	0	0	0	109.4	N29 R33	N29-A31 PolarHBondContact O-N 3.43Å; A31-R33 PolarHBondContact O-N 3.31Å
32	P	63.5	Low	65.8	Low	119 Å²	119	96 Å²	96	77%	0.773	54%	0.536	S	S	*	.			trans	-58.6	128.5	-175.7	20.4	-30.5	0	0	0	110.8	K34	P32-K34 PolarHBondContact O-N 3.45Å
33	R	80.7	Confident	68.2	Low	234 Å²	234	96 Å²	96	88%	0.883	53%	0.527	S	S	*	.			trans	-65.6	113.4	-177.8	-169.4	178	-175.8	-178.6	1.1	109.7	A31	A31-R33 PolarHBondContact O-N 3.31Å
34	K	92.9	Very high	70.6	Confident	129 Å²	129	92.3 Å²	92.3	56%	0.561	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-61.1	139.6	177.8	-64.1	-168.6	-178.2	-168.7	0	111.5	P32 E161	P32-K34 PolarHBondContact O-N 3.45Å; K34-E161 WeakPolarHBondContact CE-OE2 3.25Å; K34-E161 IonicContact NZ-OE1 2.74Å; K34-E161 PolarHBondContact NZ-OE1 3.37Å; K34-E161 IonicContact NZ-OE2 3.29Å; K34-E161 PolarHBondContact NZ-OE2 3.29Å
35	I	96.9	Very high	73	Confident	11 Å²	11	91.8 Å²	91.8	6%	0.056	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.9	174.8	-56.5	-52.5	0	0	0	109.9	T37 M92 H93 I97 L150 E155 Q158	I35-T37 PolarHBondContact O-N 3.15Å; I35-M92 HydrophobicContact CB-CG 4.42Å; I35-M92 HydrophobicContact CD1-CE 4.08Å; I35-M92 HydrophobicContact CD1-CG 4.1Å; I35-M92 HydrophobicContact CD1-SD 4.43Å; I35-M92 HydrophobicContact CG1-CE 4.2Å; I35-M92 HydrophobicContact CG1-CG 4.06Å; I35-M92 HydrophobicContact CG1-SD 4.06Å; I35-M92 HydrophobicContact CG2-CG 3.48Å; I35-M92 VanDerWaalsContact CG2-CG 3.48Å; I35-M92 HydrophobicContact CG2-SD 4.25Å; I35-H93 WeakPolarHBondContact CD1-ND1 3.36Å; I35-I97 HydrophobicContact CG2-CG1 4.35Å; I35-L150 HydrophobicContact CB-CD2 3.88Å; I35-L150 HydrophobicContact CG1-CD2 4Å; I35-L150 HydrophobicContact CG2-CD2 4.08Å; I35-E155 HydrophobicContact CD1-CG 4.35Å; I35-E155 HydrophobicContact CG1-CG 3.76Å; I35-Q158 VanDerWaalsContact CB-OE1 3.27Å; I35-Q158 PolarHBondContact O-NE2 2.91Å
36	L	97.2	Very high	75.3	Confident	82 Å²	82	89.6 Å²	89.6	43%	0.429	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-64.3	121.6	173.2	174.5	65.5	0	0	0	109.6	R62 F70 G96 I97	L36-R62 HydrophobicContact CD1-CB 4.44Å; L36-F70 HydrophobicContact CD2-CE2 4.07Å; L36-G96 CarbonylContact O-C 3.41Å; L36-G96 WeakPolarHBondContact O-CA 3.43Å; L36-I97 PolarHBondContact O-N 3.42Å
37	T	98	Very high	77.9	Confident	2 Å²	2	85.5 Å²	85.5	1%	0.012	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139	166.2	73.6	0	0	0	0	110.5	I35 M60 T61 R62 I97 L146 L150 L162	I35-T37 PolarHBondContact O-N 3.15Å; T37-M60 PolarHBondContact OG1-O 2.94Å; T37-T61 CarbonylContact O-C 3.58Å; T37-T61 WeakPolarHBondContact O-CA 3.39Å; T37-T61 WeakPolarHBondContact OG1-CA 3.14Å; T37-T61 WeakPolarHBondContact OG1-CB 3.46Å; T37-T61 PolarHBondContact OG1-OG1 3.17Å; T37-R62 PolarHBondContact O-N 3.22Å; T37-I97 CarbonylContact C-O 3.47Å; T37-I97 VanDerWaalsContact CA-O 3.25Å; T37-I97 WeakPolarHBondContact CA-O 3.27Å; T37-L146 HydrophobicContact CG2-CD2 4.24Å; T37-L150 HydrophobicContact CG2-CD1 4.44Å; T37-L162 HydrophobicContact CG2-CD1 4.43Å
38	A	98	Very high	80.3	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	168.2	178.6	0	0	0	0	0	111.9	T61 R62 L64 F70 I97 A98 V99	A38-T61 VanDerWaalsContact C-CG2 3.44Å; A38-R62 CarbonylContact C-O 3.6Å; A38-R62 WeakPolarHBondContact CA-O 3.49Å; A38-R62 HydrophobicContact CB-CB 4.24Å; A38-L64 HydrophobicContact CB-CD1 3.86Å; A38-L64 HydrophobicContact CB-CD2 4.15Å; A38-L64 HydrophobicContact CB-CG 3.94Å; A38-F70 HydrophobicContact CB-CD2 3.99Å; A38-F70 HydrophobicContact CB-CE2 3.48Å; A38-F70 VanDerWaalsContact CB-CE2 3.48Å; A38-F70 HydrophobicContact CB-CZ 4.04Å; A38-I97 PolarHBondContact N-O 3.23Å; A38-A98 HydrophobicContact CB-CB 4.02Å; A38-A98 WeakPolarHBondContact O-CA 3.41Å; A38-V99 PolarHBondContact O-N 2.74Å
39	M	97.3	Very high	82.9	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.6	174	67.4	178.4	-60.8	0	0	112.7	D41 G52 V56 T61 R62 L63 L64 V99 D101	M39-D41 HydrophobicContact CE-CB 4.21Å; M39-G52 VanDerWaalsContact SD-CA 3.59Å; M39-G52 VanDerWaalsContact SD-O 3.4Å; M39-V56 HydrophobicContact CG-CG2 3.9Å; M39-V56 HydrophobicContact SD-CG2 3.34Å; M39-V56 WeakPolarHBondContact SD-CG2 3.38Å; M39-T61 HydrophobicContact CB-CG2 4.05Å; M39-T61 HydrophobicContact CG-CG2 3.94Å; M39-T61 HydrophobicContact SD-CG2 4.36Å; M39-R62 PolarHBondContact N-O 3.42Å; M39-L63 HydrophobicContact CG-CD1 3.97Å; M39-L63 HydrophobicContact SD-CD1 4.5Å; M39-L64 WeakPolarHBondContact O-CB 3.37Å; M39-L64 PolarHBondContact O-N 3.29Å; M39-V99 WeakPolarHBondContact CA-O 3.36Å; M39-V99 HydrophobicContact CB-CG2 3.69Å; M39-D101 HydrophobicContact CE-CB 3.25Å
40	W	95.9	Very high	85.5	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	149	155.2	-69.8	-80.7	0	0	0	109.5	L64 R65 E68 F70 V74 A98 V99 V100 D101 L115 F117	W40-L64 HydrophobicContact CD2-CB 4.24Å; W40-L64 HydrophobicContact CD2-CD1 3.77Å; W40-L64 HydrophobicContact CE3-CD1 3.94Å; W40-L64 HydrophobicContact CG-CB 4.12Å; W40-L64 HydrophobicContact CG-CD1 4.44Å; W40-L64 HydrophobicContact CH2-CD1 3.92Å; W40-L64 HydrophobicContact CZ2-CD1 3.71Å; W40-L64 HydrophobicContact CZ3-CD1 4Å; W40-R65 VanDerWaalsContact CD1-O 3.25Å; W40-R65 PolarHBondContact NE1-O 2.96Å; W40-E68 VanDerWaalsContact CZ2-O 3.22Å; W40-E68 WeakPolarHBondContact CZ2-O 3.32Å; W40-E68 PolarHBondContact NE1-O 2.91Å; W40-F70 HydrophobicContact CH2-CB 3.41Å; W40-F70 VanDerWaalsContact CH2-CB 3.41Å; W40-F70 HydrophobicContact CH2-CG 4.47Å; W40-F70 HydrophobicContact CZ2-CB 3.98Å; W40-F70 HydrophobicContact CZ3-CB 4.19Å; W40-V74 HydrophobicContact CE3-CG1 4.5Å; W40-V74 HydrophobicContact CH2-CG2 4.11Å; W40-V74 HydrophobicContact CZ3-CB 4.47Å; W40-V74 HydrophobicContact CZ3-CG1 3.75Å; W40-V74 HydrophobicContact CZ3-CG2 3.84Å; W40-A98 HydrophobicContact CZ3-CB 4.08Å; W40-V99 PolarHBondContact N-O 3Å; W40-V100 HydrophobicContact CE3-CG2 4.22Å; W40-D101 WeakPolarHBondContact O-CB 3.35Å; W40-D101 PolarHBondContact O-N 3.19Å; W40-L115 HydrophobicContact CB-CD2 3.97Å; W40-L115 HydrophobicContact CD2-CD2 3.87Å; W40-L115 HydrophobicContact CE3-CD1 4.46Å; W40-L115 HydrophobicContact CG-CD2 3.6Å; W40-F117 HydrophobicContact CH2-CB 4.29Å
41	D	93.4	Very high	87.9	Confident	15 Å²	15	70.5 Å²	70.5	8%	0.08	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.5	173.3	-176.3	10.8	0	0	0	110.3	M39 E43 R53 L63 D101	M39-D41 HydrophobicContact CE-CB 4.21Å; D41-E43 VanDerWaalsContact C-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CA 3.48Å; D41-E43 PolarHBondContact OD1-N 3.02Å; D41-R53 IonicContact OD2-CZ 3.72Å; D41-R53 IonicContact OD2-NE 2.99Å; D41-R53 PolarHBondContact OD2-NE 2.88Å; D41-R53 IonicContact OD2-NH2 3.91Å; D41-R53 PolarHBondContact OD2-NH2 3.24Å; D41-L63 HydrophobicContact CB-CD1 4.01Å; D41-D101 HydrophobicContact CB-CB 4.39Å
42	F	91.4	Very high	89.8	Confident	36 Å²	36	66.3 Å²	66.3	16%	0.158	32%	0.316	C	S	.	.			trans	-88.5	0.4	173.5	-79.4	-89.6	0	0	0	113.8	Q44 L66 V100 D101 C102 T110 L115	F42-Q44 HydrophobicContact CB-CG 3.96Å; F42-Q44 PolarHBondContact O-N 2.94Å; F42-L66 HydrophobicContact CD1-CD2 4.45Å; F42-L66 HydrophobicContact CE1-CD2 4.27Å; F42-L66 HydrophobicContact CE2-CD2 4.43Å; F42-L66 HydrophobicContact CZ-CD2 4.26Å; F42-V100 HydrophobicContact CD2-CG1 3.8Å; F42-V100 HydrophobicContact CE2-CG1 3.53Å; F42-D101 PolarHBondContact N-O 3.39Å; F42-D101 VanDerWaalsContact N-O 3.08Å; F42-C102 HydrophobicContact CD2-CB 4.42Å; F42-T110 HydrophobicContact CD1-CG2 3.85Å; F42-T110 HydrophobicContact CD2-CG2 3.7Å; F42-T110 HydrophobicContact CE1-CG2 3.89Å; F42-T110 HydrophobicContact CE2-CG2 3.74Å; F42-T110 HydrophobicContact CG-CG2 3.76Å; F42-T110 HydrophobicContact CZ-CG2 3.83Å; F42-L115 HydrophobicContact CE2-CD1 4.07Å; F42-L115 HydrophobicContact CE2-CD2 4.01Å; F42-L115 HydrophobicContact CE2-CG 4.29Å; F42-L115 HydrophobicContact CZ-CD1 4.36Å; F42-L115 HydrophobicContact CZ-CD2 3.93Å; F42-L115 HydrophobicContact CZ-CG 4.15Å
43	E	88.5	Confident	91.3	Very high	144 Å²	144	63 Å²	63	67%	0.673	29%	0.289	S	S	*	.	S	Bend	trans	60.1	32.7	176.9	-54.3	-170.7	158.9	0	0	113.1	D41 R53	D41-E43 VanDerWaalsContact C-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CA 3.48Å; D41-E43 PolarHBondContact OD1-N 3.02Å; E43-R53 IonicContact OE1-NH2 3.48Å; E43-R53 PolarHBondContact OE1-NH2 3.02Å
44	Q	84	Confident	92	Very high	52 Å²	52	55 Å²	55	24%	0.243	26%	0.26	C	S	.	.			trans	-88.8	-9.9	-179.2	-65.4	172.5	-9.9	0	0	113.3	F42 Q106 T110	F42-Q44 HydrophobicContact CB-CG 3.96Å; F42-Q44 PolarHBondContact O-N 2.94Å; Q44-Q106 VanDerWaalsContact CD-OE1 3.29Å; Q44-Q106 VanDerWaalsContact CG-OE1 3.32Å; Q44-T110 PolarHBondContact NE2-OG1 2.85Å; Q44-T110 PolarHBondContact OE1-OG1 3.33Å
45	C	83	Confident	92.2	Very high	49 Å²	49	48.9 Å²	48.9	33%	0.331	23%	0.233	S	C	.	.	S	Bend	trans	-116.1	155.3	-177.8	-67	0	0	0	0	110.8	P47 C50	C45-P47 WeakPolarHBondContact O-CD 3.28Å; C45-C50 HydrophobicContact CB-CB 4.22Å
46	D	85.6	Confident	92.2	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	24%	0.242	S	C	.	.			trans	-62	116.9	169.6	174.9	-2.4	0	0	0	109.5	K48 R49 C50	D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 WeakPolarHBondContact OD1-CB 3.47Å; D46-K48 PolarHBondContact OD1-N 3.03Å; D46-R49 HydrophobicContact CB-CB 4.33Å; D46-R49 HydrophobicContact CB-CG 4.35Å; D46-R49 PolarHBondContact O-N 3.46Å; D46-R49 IonicContact OD2-NE 2.83Å; D46-C50 PolarHBondContact O-N 3.35Å
47	P	86.2	Confident	92.2	Very high	72 Å²	72	53.8 Å²	53.8	47%	0.468	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-175.7	24.9	-34.9	0	0	0	113.3	C45 R53	C45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-R53 HydrophobicContact CB-CG 4.21Å; P47-R53 WeakPolarHBondContact O-CB 3.44Å
48	K	87.4	Confident	92.1	Very high	176 Å²	176	57.5 Å²	57.5	77%	0.765	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.1	174.4	-67.6	-178.6	175.9	-179.3	0	112.5	D46	D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 WeakPolarHBondContact OD1-CB 3.47Å; D46-K48 PolarHBondContact OD1-N 3.03Å
49	R	86	Confident	92	Very high	177 Å²	177	60.9 Å²	60.9	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-21.6	-177.1	-61.4	-177.6	-175.8	-150.4	-2.6	113.2	D46 S51	D46-R49 HydrophobicContact CB-CB 4.33Å; D46-R49 HydrophobicContact CB-CG 4.35Å; D46-R49 PolarHBondContact O-N 3.46Å; D46-R49 IonicContact OD2-NE 2.83Å; R49-S51 PolarHBondContact O-N 3.04Å
50	C	91.6	Very high	91.9	Very high	11 Å²	11	63.3 Å²	63.3	7%	0.074	32%	0.316	C	S	.	.			trans	-62.6	125	178.3	168.7	0	0	0	0	111.5	C45 D46 G52 R53 K54 D101	C45-C50 HydrophobicContact CB-CB 4.22Å; D46-C50 PolarHBondContact O-N 3.35Å; C50-G52 PolarHBondContact SG-N 3.32Å; C50-G52 VanDerWaalsContact SG-N 3.4Å; C50-R53 HydrophobicContact CB-CB 3.98Å; C50-R53 HydrophobicContact CB-CG 4.18Å; C50-R53 PolarHBondContact SG-N 3.36Å; C50-K54 PolarHBondContact O-N 3.43Å; C50-D101 PolarHBondContact SG-OD1 3.48Å; C50-D101 PolarHBondContact SG-OD2 3.08Å
51	S	94.2	Very high	92	Very high	12 Å²	12	63.6 Å²	63.6	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-37.3	179	58.5	0	0	0	0	111.9	R49 K54 L55 S141 C142	R49-S51 PolarHBondContact O-N 3.04Å; S51-K54 WeakPolarHBondContact O-CB 3.37Å; S51-K54 PolarHBondContact O-N 3.48Å; S51-L55 PolarHBondContact O-N 2.91Å; S51-S141 WeakPolarHBondContact OG-CB 3.37Å; S51-C142 PolarHBondContact OG-N 3.39Å
52	G	94.5	Very high	92.1	Very high	1 Å²	1	69 Å²	69	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-52.3	173	0	0	0	0	0	112.4	M39 C50 K54 L55 V56	M39-G52 VanDerWaalsContact SD-CA 3.59Å; M39-G52 VanDerWaalsContact SD-O 3.4Å; C50-G52 PolarHBondContact SG-N 3.32Å; C50-G52 VanDerWaalsContact SG-N 3.4Å; G52-K54 PolarHBondContact O-N 3.47Å; G52-L55 WeakPolarHBondContact O-CB 3.37Å; G52-L55 PolarHBondContact O-N 3.33Å; G52-V56 PolarHBondContact O-N 2.95Å
53	R	94.8	Very high	92.4	Very high	51 Å²	51	70.4 Å²	70.4	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-30	175.7	-76.3	-71.2	-173	165.1	3.9	113	D41 E43 P47 C50 R57	D41-R53 IonicContact OD2-CZ 3.72Å; D41-R53 IonicContact OD2-NE 2.99Å; D41-R53 PolarHBondContact OD2-NE 2.88Å; D41-R53 IonicContact OD2-NH2 3.91Å; D41-R53 PolarHBondContact OD2-NH2 3.24Å; E43-R53 IonicContact OE1-NH2 3.48Å; E43-R53 PolarHBondContact OE1-NH2 3.02Å; P47-R53 HydrophobicContact CB-CG 4.21Å; P47-R53 WeakPolarHBondContact O-CB 3.44Å; C50-R53 HydrophobicContact CB-CB 3.98Å; C50-R53 HydrophobicContact CB-CG 4.18Å; C50-R53 PolarHBondContact SG-N 3.36Å; R53-R57 WeakPolarHBondContact O-CG 3.29Å; R53-R57 PolarHBondContact O-N 3.14Å; R53-R57 PolarHBondContact O-NE 3.43Å
54	K	96.2	Very high	92.8	Very high	65 Å²	65	64 Å²	64	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-44.1	171.6	-174.7	172.1	169.4	-172.9	0	111.6	C50 S51 G52 V56 R57 L58 K165 F166	C50-K54 PolarHBondContact O-N 3.43Å; S51-K54 WeakPolarHBondContact O-CB 3.37Å; S51-K54 PolarHBondContact O-N 3.48Å; G52-K54 PolarHBondContact O-N 3.47Å; K54-V56 VanDerWaalsContact C-N 3.33Å; K54-V56 PolarHBondContact O-N 3.5Å; K54-R57 PolarHBondContact O-N 3.14Å; K54-L58 HydrophobicContact CG-CD1 4.21Å; K54-L58 WeakPolarHBondContact O-CG 3.47Å; K54-L58 PolarHBondContact O-N 2.99Å; K54-K165 WeakPolarHBondContact CE-O 3.43Å; K54-K165 PolarHBondContact NZ-O 3.04Å; K54-F166 HydrophobicContact CB-CE1 4.35Å; K54-F166 HydrophobicContact CB-CZ 4.17Å; K54-F166 HydrophobicContact CD-CD1 4.28Å; K54-F166 HydrophobicContact CD-CE1 3.67Å; K54-F166 HydrophobicContact CD-CZ 3.92Å; K54-F166 HydrophobicContact CG-CE1 4.42Å; K54-F166 HydrophobicContact CG-CZ 4.25Å
55	L	97.1	Very high	93.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-38.5	176	-66.7	178.2	0	0	0	112.6	S51 G52 L58 G59 M60 T61 V143 L146 L162 F166	S51-L55 PolarHBondContact O-N 2.91Å; G52-L55 WeakPolarHBondContact O-CB 3.37Å; G52-L55 PolarHBondContact O-N 3.33Å; L55-L58 PolarHBondContact O-N 3.13Å; L55-G59 PolarHBondContact O-N 3.25Å; L55-M60 HydrophobicContact CD2-CB 4.49Å; L55-M60 HydrophobicContact CD2-SD 4.39Å; L55-M60 PolarHBondContact O-N 3.01Å; L55-T61 WeakPolarHBondContact CB-OG1 3.41Å; L55-T61 PolarHBondContact O-N 3.11Å; L55-V143 HydrophobicContact CD1-CB 3.95Å; L55-V143 HydrophobicContact CD1-CG2 4.04Å; L55-V143 HydrophobicContact CD2-CG2 4.35Å; L55-L146 HydrophobicContact CD1-CD1 3.83Å; L55-L162 HydrophobicContact CD1-CD2 4.38Å; L55-L162 HydrophobicContact CD2-CD2 3.93Å; L55-F166 HydrophobicContact CD2-CE2 3.93Å; L55-F166 HydrophobicContact CD2-CZ 4.37Å; L55-F166 HydrophobicContact CG-CE2 4.42Å; L55-F166 HydrophobicContact CG-CZ 4.43Å
56	V	96.8	Very high	93.5	Very high	38 Å²	38	70.9 Å²	70.9	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-46.4	173.2	174.1	0	0	0	0	111.2	M39 G52 K54 L58 G59 T61 L63	M39-V56 HydrophobicContact CG-CG2 3.9Å; M39-V56 HydrophobicContact SD-CG2 3.34Å; M39-V56 WeakPolarHBondContact SD-CG2 3.38Å; G52-V56 PolarHBondContact O-N 2.95Å; K54-V56 VanDerWaalsContact C-N 3.33Å; K54-V56 PolarHBondContact O-N 3.5Å; V56-L58 PolarHBondContact O-N 3.5Å; V56-G59 PolarHBondContact O-N 3.13Å; V56-T61 WeakPolarHBondContact CA-O 3.42Å; V56-T61 WeakPolarHBondContact CG2-O 3.16Å; V56-L63 HydrophobicContact CG1-CB 4.03Å; V56-L63 HydrophobicContact CG2-CB 4.15Å
57	R	96	Very high	93.5	Very high	158 Å²	158	72.5 Å²	72.5	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-29.7	176.7	-76.2	-177.4	-68.3	134.7	-10.3	113.2	R53 K54 G59	R53-R57 WeakPolarHBondContact O-CG 3.29Å; R53-R57 PolarHBondContact O-N 3.14Å; R53-R57 PolarHBondContact O-NE 3.43Å; K54-R57 PolarHBondContact O-N 3.14Å; R57-G59 VanDerWaalsContact C-N 3.29Å
58	L	95.8	Very high	93.9	Very high	81 Å²	81	70.7 Å²	70.7	42%	0.424	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.2	176.7	-66.1	174.2	0	0	0	113.3	K54 L55 V56 M60 K165	K54-L58 HydrophobicContact CG-CD1 4.21Å; K54-L58 WeakPolarHBondContact O-CG 3.47Å; K54-L58 PolarHBondContact O-N 2.99Å; L55-L58 PolarHBondContact O-N 3.13Å; V56-L58 PolarHBondContact O-N 3.5Å; L58-M60 HydrophobicContact CB-CE 4.35Å; L58-M60 HydrophobicContact CB-CG 4.25Å; L58-M60 HydrophobicContact CB-SD 4.16Å; L58-M60 HydrophobicContact CD1-SD 4.43Å; L58-M60 PolarHBondContact O-N 3.14Å; L58-K165 HydrophobicContact CD1-CB 3.78Å; L58-K165 HydrophobicContact CD1-CD 4.21Å; L58-K165 HydrophobicContact CD1-CG 3.89Å
59	G	95.7	Very high	94.2	Very high	71 Å²	71	66.4 Å²	66.4	73%	0.732	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	13.8	-179.3	0	0	0	0	0	114.6	L55 V56 R57	L55-G59 PolarHBondContact O-N 3.25Å; V56-G59 PolarHBondContact O-N 3.13Å; R57-G59 VanDerWaalsContact C-N 3.29Å
60	M	95.9	Very high	94.7	Very high	51 Å²	51	58.5 Å²	58.5	25%	0.251	29%	0.294	S	S	.	.	S	Bend	trans	-90.6	-26.4	-176.1	-67.5	173.7	-179.2	0	0	113.1	T37 L55 L58 L162 K165	T37-M60 PolarHBondContact OG1-O 2.94Å; L55-M60 HydrophobicContact CD2-CB 4.49Å; L55-M60 HydrophobicContact CD2-SD 4.39Å; L55-M60 PolarHBondContact O-N 3.01Å; L58-M60 HydrophobicContact CB-CE 4.35Å; L58-M60 HydrophobicContact CB-CG 4.25Å; L58-M60 HydrophobicContact CB-SD 4.16Å; L58-M60 HydrophobicContact CD1-SD 4.43Å; L58-M60 PolarHBondContact O-N 3.14Å; M60-L162 HydrophobicContact CB-CD2 4.1Å; M60-L162 HydrophobicContact SD-CD2 4.4Å; M60-K165 HydrophobicContact CE-CD 3.73Å; M60-K165 HydrophobicContact CE-CG 4.08Å; M60-K165 HydrophobicContact SD-CD 4.09Å; M60-K165 HydrophobicContact SD-CG 3.73Å
61	T	97	Very high	94.7	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.1	-178.4	-58.5	0	0	0	0	109.9	T37 A38 M39 L55 V56 L146	T37-T61 CarbonylContact O-C 3.58Å; T37-T61 WeakPolarHBondContact O-CA 3.39Å; T37-T61 WeakPolarHBondContact OG1-CA 3.14Å; T37-T61 WeakPolarHBondContact OG1-CB 3.46Å; T37-T61 PolarHBondContact OG1-OG1 3.17Å; A38-T61 VanDerWaalsContact C-CG2 3.44Å; M39-T61 HydrophobicContact CB-CG2 4.05Å; M39-T61 HydrophobicContact CG-CG2 3.94Å; M39-T61 HydrophobicContact SD-CG2 4.36Å; L55-T61 WeakPolarHBondContact CB-OG1 3.41Å; L55-T61 PolarHBondContact O-N 3.11Å; V56-T61 WeakPolarHBondContact CA-O 3.42Å; V56-T61 WeakPolarHBondContact CG2-O 3.16Å; T61-L146 HydrophobicContact CG2-CD1 4.4Å
62	R	97.2	Very high	94.8	Very high	127 Å²	127	59.9 Å²	59.9	48%	0.479	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.3	177.6	-177.3	177.7	177.4	-152	-9.3	110.8	L36 T37 A38 M39 E68	L36-R62 HydrophobicContact CD1-CB 4.44Å; T37-R62 PolarHBondContact O-N 3.22Å; A38-R62 CarbonylContact C-O 3.6Å; A38-R62 WeakPolarHBondContact CA-O 3.49Å; A38-R62 HydrophobicContact CB-CB 4.24Å; M39-R62 PolarHBondContact N-O 3.42Å; R62-E68 IonicContact CZ-OE1 3.58Å; R62-E68 VanDerWaalsContact CZ-OE1 3.27Å; R62-E68 IonicContact NH1-OE1 2.9Å; R62-E68 IonicContact NH2-OE1 3.5Å; R62-E68 PolarHBondContact NH2-OE1 3.33Å
63	L	96.9	Very high	94.9	Very high	67 Å²	67	59.8 Å²	59.8	35%	0.351	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.5	170.8	-174.1	65.6	0	0	0	110.2	M39 D41 V56	M39-L63 HydrophobicContact CG-CD1 3.97Å; M39-L63 HydrophobicContact SD-CD1 4.5Å; D41-L63 HydrophobicContact CB-CD1 4.01Å; V56-L63 HydrophobicContact CG1-CB 4.03Å; V56-L63 HydrophobicContact CG2-CB 4.15Å
64	L	96.5	Very high	95	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-92.7	144.5	177.6	-59.6	172.7	0	0	0	110.4	A38 M39 W40 E68 F70 A98	A38-L64 HydrophobicContact CB-CD1 3.86Å; A38-L64 HydrophobicContact CB-CD2 4.15Å; A38-L64 HydrophobicContact CB-CG 3.94Å; M39-L64 WeakPolarHBondContact O-CB 3.37Å; M39-L64 PolarHBondContact O-N 3.29Å; W40-L64 HydrophobicContact CD2-CB 4.24Å; W40-L64 HydrophobicContact CD2-CD1 3.77Å; W40-L64 HydrophobicContact CE3-CD1 3.94Å; W40-L64 HydrophobicContact CG-CB 4.12Å; W40-L64 HydrophobicContact CG-CD1 4.44Å; W40-L64 HydrophobicContact CH2-CD1 3.92Å; W40-L64 HydrophobicContact CZ2-CD1 3.71Å; W40-L64 HydrophobicContact CZ3-CD1 4Å; L64-E68 HydrophobicContact CD2-CG 4.34Å; L64-F70 HydrophobicContact CD1-CB 4.04Å; L64-F70 HydrophobicContact CD1-CD2 3.88Å; L64-F70 HydrophobicContact CD1-CG 4.18Å; L64-F70 HydrophobicContact CD2-CD2 4.31Å; L64-A98 HydrophobicContact CD1-CB 4.33Å
65	R	93.6	Very high	95	Very high	176 Å²	176	54.9 Å²	54.9	66%	0.664	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-70.7	146.4	166.9	-64.9	178.2	-72.9	176.8	-2.5	109.4	W40 N67 E68	W40-R65 VanDerWaalsContact CD1-O 3.25Å; W40-R65 PolarHBondContact NE1-O 2.96Å; R65-N67 WeakPolarHBondContact CB-OD1 3.38Å; R65-N67 PolarHBondContact O-N 3.33Å; R65-E68 HydrophobicContact CB-CB 4.09Å; R65-E68 PolarHBondContact N-OE2 3.02Å; R65-E68 IonicContact NE-OE2 3.72Å; R65-E68 VanDerWaalsContact O-CB 3.26Å; R65-E68 WeakPolarHBondContact O-CB 3.45Å; R65-E68 PolarHBondContact O-N 3.17Å
66	L	88	Confident	94.6	Very high	71 Å²	71	55.2 Å²	55.2	37%	0.372	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.5	-177.7	-70.7	175.7	0	0	0	114.6	F42 L115	F42-L66 HydrophobicContact CD1-CD2 4.45Å; F42-L66 HydrophobicContact CE1-CD2 4.27Å; F42-L66 HydrophobicContact CE2-CD2 4.43Å; F42-L66 HydrophobicContact CZ-CD2 4.26Å; L66-L115 HydrophobicContact CD2-CD2 4.27Å
67	N	86.6	Confident	93.8	Very high	104 Å²	104	55.8 Å²	55.8	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.4	179.2	65.7	-23.2	0	0	0	114.5	R65	R65-N67 WeakPolarHBondContact CB-OD1 3.38Å; R65-N67 PolarHBondContact O-N 3.33Å
68	E	93.9	Very high	93.1	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.159	29%	0.291	C	S	.	.			trans	-74	137.5	176.3	-174.3	169.5	168	0	0	109.5	W40 R62 L64 R65	W40-E68 VanDerWaalsContact CZ2-O 3.22Å; W40-E68 WeakPolarHBondContact CZ2-O 3.32Å; W40-E68 PolarHBondContact NE1-O 2.91Å; R62-E68 IonicContact CZ-OE1 3.58Å; R62-E68 VanDerWaalsContact CZ-OE1 3.27Å; R62-E68 IonicContact NH1-OE1 2.9Å; R62-E68 IonicContact NH2-OE1 3.5Å; R62-E68 PolarHBondContact NH2-OE1 3.33Å; L64-E68 HydrophobicContact CD2-CG 4.34Å; R65-E68 HydrophobicContact CB-CB 4.09Å; R65-E68 PolarHBondContact N-OE2 3.02Å; R65-E68 IonicContact NE-OE2 3.72Å; R65-E68 VanDerWaalsContact O-CB 3.26Å; R65-E68 WeakPolarHBondContact O-CB 3.45Å; R65-E68 PolarHBondContact O-N 3.17Å
69	S	93.9	Very high	92.6	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.9	177.4	54	0	0	0	0	111.5	K116	S69-K116 VanDerWaalsContact CA-O 3.27Å; S69-K116 WeakPolarHBondContact CA-O 3.39Å
70	F	96	Very high	91.6	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.1	171	-166.2	-104.8	0	0	0	110.4	L36 A38 W40 L64 I73 V74 G95 A98 K116	L36-F70 HydrophobicContact CD2-CE2 4.07Å; A38-F70 HydrophobicContact CB-CD2 3.99Å; A38-F70 HydrophobicContact CB-CE2 3.48Å; A38-F70 VanDerWaalsContact CB-CE2 3.48Å; A38-F70 HydrophobicContact CB-CZ 4.04Å; W40-F70 HydrophobicContact CH2-CB 3.41Å; W40-F70 VanDerWaalsContact CH2-CB 3.41Å; W40-F70 HydrophobicContact CH2-CG 4.47Å; W40-F70 HydrophobicContact CZ2-CB 3.98Å; W40-F70 HydrophobicContact CZ3-CB 4.19Å; L64-F70 HydrophobicContact CD1-CB 4.04Å; L64-F70 HydrophobicContact CD1-CD2 3.88Å; L64-F70 HydrophobicContact CD1-CG 4.18Å; L64-F70 HydrophobicContact CD2-CD2 4.31Å; F70-I73 WeakPolarHBondContact CE1-O 3.45Å; F70-V74 HydrophobicContact CB-CG2 4.33Å; F70-V74 HydrophobicContact CD1-CG2 3.83Å; F70-G95 WeakPolarHBondContact CZ-O 3.38Å; F70-A98 HydrophobicContact CD1-CB 3.55Å; F70-A98 HydrophobicContact CD2-CB 4.26Å; F70-A98 HydrophobicContact CE1-CB 3.58Å; F70-A98 HydrophobicContact CE2-CB 4.29Å; F70-A98 HydrophobicContact CG-CB 3.89Å; F70-A98 HydrophobicContact CZ-CB 3.96Å; F70-K116 PolarHBondContact N-O 3.06Å; F70-K116 VanDerWaalsContact N-O 3.08Å
71	G	92.2	Very high	90.9	Very high	51 Å²	51	52 Å²	52	53%	0.526	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-14.3	-175.9	0	0	0	0	0	114.8	H119	G71-H119 PolarHBondContact O-CD2 2.88Å
72	G	95.3	Very high	90.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-160.3	177.2	0	0	0	0	0	113.7	G96	G72-G96 WeakPolarHBondContact CA-O 2.94Å
73	I	97	Very high	90.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.8	176.8	-59.3	165.7	0	0	0	109.6	F70 L75 L83 D88 L91 M92 G96 I97 A98 R121 L153	F70-I73 WeakPolarHBondContact CE1-O 3.45Å; I73-L75 HydrophobicContact CG2-CD2 4.15Å; I73-L83 HydrophobicContact CG2-CD1 4.43Å; I73-D88 HydrophobicContact CD1-CB 3.65Å; I73-D88 WeakPolarHBondContact CD1-O 3.09Å; I73-D88 HydrophobicContact CG1-CB 4.43Å; I73-L91 HydrophobicContact CG1-CB 4.06Å; I73-M92 HydrophobicContact CD1-CB 3.92Å; I73-G96 PolarHBondContact N-O 3.49Å; I73-I97 HydrophobicContact CD1-CG1 4.47Å; I73-I97 CarbonylContact O-C 3.41Å; I73-I97 WeakPolarHBondContact O-CA 3.36Å; I73-A98 PolarHBondContact O-N 3.46Å; I73-R121 HydrophobicContact CG2-CB 4.01Å; I73-R121 HydrophobicContact CG2-CG 3.62Å; I73-L153 HydrophobicContact CD1-CD1 3.59Å
74	V	97	Very high	90	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116	174	-179.4	0	0	0	0	110.6	W40 F70 T76 A98 V100 F117 H119 G120 R121	W40-V74 HydrophobicContact CE3-CG1 4.5Å; W40-V74 HydrophobicContact CH2-CG2 4.11Å; W40-V74 HydrophobicContact CZ3-CB 4.47Å; W40-V74 HydrophobicContact CZ3-CG1 3.75Å; W40-V74 HydrophobicContact CZ3-CG2 3.84Å; F70-V74 HydrophobicContact CB-CG2 4.33Å; F70-V74 HydrophobicContact CD1-CG2 3.83Å; V74-T76 HydrophobicContact CG1-CG2 4.32Å; V74-T76 PolarHBondContact O-N 2.8Å; V74-A98 CarbonylContact C-O 3.45Å; V74-A98 WeakPolarHBondContact CA-O 3.36Å; V74-A98 HydrophobicContact CG2-CB 4.23Å; V74-V100 HydrophobicContact CG1-CG2 4.26Å; V74-F117 HydrophobicContact CB-CB 4.08Å; V74-F117 HydrophobicContact CB-CD1 4.38Å; V74-F117 HydrophobicContact CB-CD2 4.02Å; V74-F117 HydrophobicContact CB-CG 3.9Å; V74-F117 HydrophobicContact CG1-CD1 4.07Å; V74-F117 HydrophobicContact CG1-CD2 4.45Å; V74-F117 HydrophobicContact CG1-CE1 4.43Å; V74-F117 HydrophobicContact CG1-CG 4.1Å; V74-F117 HydrophobicContact CG2-CB 3.41Å; V74-F117 VanDerWaalsContact CG2-CB 3.41Å; V74-F117 HydrophobicContact CG2-CD1 4.44Å; V74-F117 HydrophobicContact CG2-CD2 4.29Å; V74-F117 HydrophobicContact CG2-CG 3.81Å; V74-H119 PolarHBondContact N-O 2.83Å; V74-G120 CarbonylContact O-C 3.58Å; V74-G120 VanDerWaalsContact O-CA 3.3Å; V74-G120 WeakPolarHBondContact O-CA 3.32Å; V74-R121 PolarHBondContact O-N 2.83Å
75	L	95.8	Very high	90	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.9	172.6	-51	178.3	0	0	0	108.6	I73 L83 I97 A98 V99 V100 R121 L123 A145 S149	I73-L75 HydrophobicContact CG2-CD2 4.15Å; L75-L83 HydrophobicContact CD2-CD1 4.33Å; L75-I97 HydrophobicContact CD1-CG2 4.01Å; L75-I97 HydrophobicContact CG-CG2 4.02Å; L75-A98 PolarHBondContact N-O 2.88Å; L75-V99 HydrophobicContact CB-CG1 4.01Å; L75-V99 HydrophobicContact CD1-CG1 3.79Å; L75-V99 HydrophobicContact CG-CG1 4.32Å; L75-V100 PolarHBondContact O-N 3.22Å; L75-R121 WeakPolarHBondContact CA-O 3.31Å; L75-R121 HydrophobicContact CD2-CB 4.23Å; L75-L123 HydrophobicContact CD1-CD1 4.21Å; L75-L123 HydrophobicContact CD2-CG 4.38Å; L75-A145 HydrophobicContact CD1-CB 3.98Å; L75-A145 WeakPolarHBondContact CD1-O 3.15Å; L75-S149 WeakPolarHBondContact CD1-OG 3.19Å; L75-S149 WeakPolarHBondContact CD2-OG 3.23Å
76	T	89.8	Confident	89.9	Confident	6 Å²	6	39.9 Å²	39.9	4%	0.037	25%	0.248	C	C	.	.			trans	-143	139.4	-176.1	176.4	0	0	0	0	110.3	V74 T78 A79 F117 R121	V74-T76 HydrophobicContact CG1-CG2 4.32Å; V74-T76 PolarHBondContact O-N 2.8Å; T76-T78 PolarHBondContact O-N 3.48Å; T76-T78 VanDerWaalsContact O-N 3.11Å; T76-T78 PolarHBondContact OG1-N 2.89Å; T76-T78 PolarHBondContact OG1-OG1 3.43Å; T76-A79 HydrophobicContact CG2-CB 3.83Å; T76-A79 WeakPolarHBondContact O-CB 3.23Å; T76-A79 PolarHBondContact O-N 3.32Å; T76-A79 VanDerWaalsContact O-N 3.13Å; T76-F117 HydrophobicContact CG2-CE1 4.36Å; T76-F117 HydrophobicContact CG2-CE2 4.05Å; T76-F117 HydrophobicContact CG2-CZ 3.69Å; T76-R121 PolarHBondContact N-O 3.47Å
77	P	79.7	Confident	90.1	Very high	50 Å²	50	40.1 Å²	40.1	33%	0.325	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.6	176.1	27	-34.9	0	0	0	113	W104 L107 F112	P77-W104 HydrophobicContact CB-CZ3 4.46Å; P77-L107 HydrophobicContact CB-CD1 4.35Å; P77-L107 HydrophobicContact CB-CD2 4.22Å; P77-L107 HydrophobicContact CG-CD2 3.69Å; P77-F112 HydrophobicContact CG-CE1 3.96Å; P77-F112 HydrophobicContact CG-CE2 4.3Å; P77-F112 HydrophobicContact CG-CZ 3.6Å
78	T	82.3	Confident	90.6	Very high	71 Å²	71	35.2 Å²	35.2	44%	0.436	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2	177.4	66.7	0	0	0	0	114	T76 F112	T76-T78 PolarHBondContact O-N 3.48Å; T76-T78 VanDerWaalsContact O-N 3.11Å; T76-T78 PolarHBondContact OG1-N 2.89Å; T76-T78 PolarHBondContact OG1-OG1 3.43Å; T78-F112 HydrophobicContact CG2-CB 3.85Å; T78-F112 HydrophobicContact CG2-CD1 4.12Å; T78-F112 HydrophobicContact CG2-CD2 3.53Å; T78-F112 HydrophobicContact CG2-CE2 4.02Å; T78-F112 HydrophobicContact CG2-CG 3.58Å
79	A	83.7	Confident	90.7	Very high	13 Å²	13	38.1 Å²	38.1	11%	0.107	24%	0.236	C	C	.	.			trans	-73.5	151.8	177.6	0	0	0	0	0	110.6	T76 R121 L122	T76-A79 HydrophobicContact CG2-CB 3.83Å; T76-A79 WeakPolarHBondContact O-CB 3.23Å; T76-A79 PolarHBondContact O-N 3.32Å; T76-A79 VanDerWaalsContact O-N 3.13Å; A79-R121 VanDerWaalsContact CB-C 3.43Å; A79-L122 HydrophobicContact CB-CD2 4.22Å; A79-L122 HydrophobicContact CB-CG 4.02Å; A79-L122 WeakPolarHBondContact O-CD1 3.03Å; A79-L122 WeakPolarHBondContact O-CG 3.28Å
80	T	75.2	Confident	90.7	Very high	135 Å²	135	41.5 Å²	41.5	83%	0.828	24%	0.242	S	C	*	.	S	Bend	trans	-108.1	-9.2	178.5	51.9	0	0	0	0	113.1
81	C	81.7	Confident	90.6	Very high	62 Å²	62	42.7 Å²	42.7	42%	0.419	25%	0.249	S	C	.	.	S	Bend	trans	-114	135.4	-179.5	-55.5	0	0	0	0	110.1	R121 L122	C81-R121 CarbonylContact O-C 3.5Å; C81-R121 VanDerWaalsContact O-CA 3.26Å; C81-R121 WeakPolarHBondContact O-CA 3.48Å; C81-L122 PolarHBondContact O-N 3.38Å
82	V	89.7	Confident	90.9	Very high	17 Å²	17	40.3 Å²	40.3	10%	0.103	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-74.8	151.4	167.2	178.9	0	0	0	0	109.3	L122 P124 S189 I192 L193	V82-L122 WeakPolarHBondContact CA-O 3.47Å; V82-L122 HydrophobicContact CG2-CB 4.21Å; V82-P124 HydrophobicContact CG1-CB 4.4Å; V82-S189 PolarHBondContact O-OG 3.1Å; V82-I192 HydrophobicContact CG1-CG2 3.73Å; V82-L193 HydrophobicContact CG2-CD2 3.87Å; V82-L193 HydrophobicContact CG2-CG 4.28Å
83	L	90.5	Very high	90.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.			trans	-42.9	141.4	171.4	-152.1	99.6	0	0	0	112.2	I73 L75 D88 R121 L122 I152 L153 S189 I192	I73-L83 HydrophobicContact CG2-CD1 4.43Å; L75-L83 HydrophobicContact CD2-CD1 4.33Å; L83-D88 WeakPolarHBondContact CA-OD2 3.36Å; L83-R121 HydrophobicContact CD1-CB 4.21Å; L83-R121 HydrophobicContact CD1-CG 4.33Å; L83-L122 PolarHBondContact N-O 3.35Å; L83-I152 HydrophobicContact CD2-CB 3.82Å; L83-I152 HydrophobicContact CD2-CG2 3.4Å; L83-I152 VanDerWaalsContact CD2-CG2 3.4Å; L83-L153 HydrophobicContact CD1-CD1 4.44Å; L83-L153 HydrophobicContact CD2-CD1 4.37Å; L83-L153 HydrophobicContact CD2-CD2 3.62Å; L83-L153 HydrophobicContact CD2-CG 3.81Å; L83-L153 HydrophobicContact CG-CD2 4.22Å; L83-S189 PolarHBondContact O-OG 3.07Å; L83-I192 WeakPolarHBondContact O-CD1 3.34Å
84	S	92.2	Very high	90.7	Very high	12 Å²	12	50.1 Å²	50.1	8%	0.084	28%	0.28	C	S	.	.			trans	-134.2	101.7	178.3	-168.4	0	0	0	0	110	D86 T87 D88 T188 S189	S84-D86 VanDerWaalsContact C-N 3.25Å; S84-D86 PolarHBondContact O-N 2.92Å; S84-D86 VanDerWaalsContact O-N 3.1Å; S84-T87 WeakPolarHBondContact CB-OG1 3.33Å; S84-T87 PolarHBondContact O-N 3.19Å; S84-T87 VanDerWaalsContact O-N 3.09Å; S84-T87 PolarHBondContact O-OG1 3.41Å; S84-D88 PolarHBondContact N-OD2 2.84Å; S84-D88 WeakPolarHBondContact O-CB 3.36Å; S84-D88 VanDerWaalsContact O-CG 3.29Å; S84-D88 PolarHBondContact O-N 2.52Å; S84-T188 WeakPolarHBondContact OG-CA 3.33Å; S84-S189 VanDerWaalsContact CB-OG 3.27Å; S84-S189 WeakPolarHBondContact CB-OG 3.38Å; S84-S189 PolarHBondContact OG-N 2.82Å
85	P	95.9	Very high	90.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-49.7	-39.5	-174.6	-34.4	40.8	0	0	0	115.3	T87 R89 I152 L153 C186 S187 I192	P85-T87 PolarHBondContact O-N 3.25Å; P85-R89 WeakPolarHBondContact O-CB 3.36Å; P85-R89 WeakPolarHBondContact O-CD 3.47Å; P85-R89 WeakPolarHBondContact O-CG 3.45Å; P85-R89 PolarHBondContact O-N 3.32Å; P85-R89 VanDerWaalsContact O-N 3.16Å; P85-I152 HydrophobicContact CG-CG2 4.05Å; P85-L153 HydrophobicContact CB-CD2 4.35Å; P85-L153 HydrophobicContact CG-CD2 4.45Å; P85-C186 WeakPolarHBondContact CB-O 3.42Å; P85-C186 VanDerWaalsContact CG-O 3.27Å; P85-C186 WeakPolarHBondContact CG-O 3.22Å; P85-S187 WeakPolarHBondContact CD-O 3.13Å; P85-I192 HydrophobicContact CG-CD1 4.04Å
86	D	92	Very high	90.7	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-42.4	179.7	-71.5	-9.9	0	0	0	113.5	S84 S187	S84-D86 VanDerWaalsContact C-N 3.25Å; S84-D86 PolarHBondContact O-N 2.92Å; S84-D86 VanDerWaalsContact O-N 3.1Å; D86-S187 WeakPolarHBondContact CB-O 3.27Å; D86-S187 PolarHBondContact N-O 3.45Å; D86-S187 WeakPolarHBondContact OD1-CA 3.48Å; D86-S187 VanDerWaalsContact OD1-CB 3.26Å; D86-S187 WeakPolarHBondContact OD1-CB 3.45Å; D86-S187 VanDerWaalsContact OD2-CB 3.23Å; D86-S187 WeakPolarHBondContact OD2-CB 3.48Å
87	T	92.4	Very high	91.1	Very high	76 Å²	76	50.1 Å²	50.1	47%	0.466	29%	0.285	S	S	.	.	H	α-helix	trans	-91.1	-32.3	-178.1	61.5	0	0	0	0	111.9	S84 P85	S84-T87 WeakPolarHBondContact CB-OG1 3.33Å; S84-T87 PolarHBondContact O-N 3.19Å; S84-T87 VanDerWaalsContact O-N 3.09Å; S84-T87 PolarHBondContact O-OG1 3.41Å; P85-T87 PolarHBondContact O-N 3.25Å
88	D	96.9	Very high	92	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-87.3	-25.8	-166.5	-69.9	-10.3	0	0	0	112.1	I73 L83 S84 Q90 L91 M92 R121 L153	I73-D88 HydrophobicContact CD1-CB 3.65Å; I73-D88 WeakPolarHBondContact CD1-O 3.09Å; I73-D88 HydrophobicContact CG1-CB 4.43Å; L83-D88 WeakPolarHBondContact CA-OD2 3.36Å; S84-D88 PolarHBondContact N-OD2 2.84Å; S84-D88 WeakPolarHBondContact O-CB 3.36Å; S84-D88 VanDerWaalsContact O-CG 3.29Å; S84-D88 PolarHBondContact O-N 2.52Å; D88-Q90 VanDerWaalsContact C-N 3.34Å; D88-Q90 PolarHBondContact O-N 3.07Å; D88-L91 PolarHBondContact O-N 3.09Å; D88-M92 WeakPolarHBondContact O-CB 3.23Å; D88-M92 PolarHBondContact O-N 3.45Å; D88-R121 VanDerWaalsContact CG-NE 3.32Å; D88-R121 IonicContact OD1-CZ 2.79Å; D88-R121 VanDerWaalsContact OD1-CZ 3.29Å; D88-R121 IonicContact OD1-NE 2.78Å; D88-R121 PolarHBondContact OD1-NE 2.88Å; D88-R121 IonicContact OD1-NH2 2.74Å; D88-R121 PolarHBondContact OD1-NH2 2.97Å; D88-R121 WeakPolarHBondContact OD2-CD 3.21Å; D88-R121 IonicContact OD2-CZ 2.64Å; D88-R121 IonicContact OD2-NE 3.6Å; D88-R121 PolarHBondContact OD2-NE 3.49Å; D88-L153 HydrophobicContact CB-CD1 4.35Å; D88-L153 HydrophobicContact CB-CD2 3.82Å
89	R	95.7	Very high	92.7	Very high	96 Å²	96	44.6 Å²	44.6	36%	0.362	25%	0.25	S	C	.	.	H	α-helix	trans	-56.1	-47.3	175.1	-77.8	172.5	-167.6	-106.8	6	112	P85 L91 M92 H93 L153	P85-R89 WeakPolarHBondContact O-CB 3.36Å; P85-R89 WeakPolarHBondContact O-CD 3.47Å; P85-R89 WeakPolarHBondContact O-CG 3.45Å; P85-R89 PolarHBondContact O-N 3.32Å; P85-R89 VanDerWaalsContact O-N 3.16Å; R89-L91 PolarHBondContact O-N 2.98Å; R89-M92 WeakPolarHBondContact O-CB 3.18Å; R89-M92 PolarHBondContact O-N 2.93Å; R89-H93 PolarHBondContact O-CD2 3.36Å; R89-H93 PolarHBondContact O-N 2.99Å; R89-L153 HydrophobicContact CG-CB 4.27Å; R89-L153 HydrophobicContact CG-CD2 4.14Å; R89-L153 PolarHBondContact NH1-O 2.83Å
90	Q	93.5	Very high	93.2	Very high	156 Å²	156	44.5 Å²	44.5	73%	0.729	25%	0.248	S	C	*	.	H	α-helix	trans	-65.9	-39.5	179.5	-170.8	178.1	6.7	0	0	112.1	D88 H93 S94	D88-Q90 VanDerWaalsContact C-N 3.34Å; D88-Q90 PolarHBondContact O-N 3.07Å; Q90-H93 PolarHBondContact O-N 3.15Å; Q90-S94 WeakPolarHBondContact O-CB 3.31Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 PolarHBondContact O-OG 3.37Å
91	L	94.9	Very high	94	Very high	37 Å²	37	38.5 Å²	38.5	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-38.5	176.2	-67.2	174.3	0	0	0	111.8	I73 D88 R89 S94 G95 H119	I73-L91 HydrophobicContact CG1-CB 4.06Å; D88-L91 PolarHBondContact O-N 3.09Å; R89-L91 PolarHBondContact O-N 2.98Å; L91-S94 PolarHBondContact O-OG 2.95Å; L91-G95 WeakPolarHBondContact O-CA 3.47Å; L91-G95 PolarHBondContact O-N 3.21Å; L91-H119 HydrophobicContact CD1-CB 4.14Å
92	M	97	Very high	94.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-49.1	174.1	175.8	-173.5	72.5	0	0	111.5	I35 I73 D88 R89 S94 G96 I97 L150 L153 E155	I35-M92 HydrophobicContact CB-CG 4.42Å; I35-M92 HydrophobicContact CD1-CE 4.08Å; I35-M92 HydrophobicContact CD1-CG 4.1Å; I35-M92 HydrophobicContact CD1-SD 4.43Å; I35-M92 HydrophobicContact CG1-CE 4.2Å; I35-M92 HydrophobicContact CG1-CG 4.06Å; I35-M92 HydrophobicContact CG1-SD 4.06Å; I35-M92 HydrophobicContact CG2-CG 3.48Å; I35-M92 VanDerWaalsContact CG2-CG 3.48Å; I35-M92 HydrophobicContact CG2-SD 4.25Å; I73-M92 HydrophobicContact CD1-CB 3.92Å; D88-M92 WeakPolarHBondContact O-CB 3.23Å; D88-M92 PolarHBondContact O-N 3.45Å; R89-M92 WeakPolarHBondContact O-CB 3.18Å; R89-M92 PolarHBondContact O-N 2.93Å; M92-S94 VanDerWaalsContact C-N 3.34Å; M92-S94 PolarHBondContact O-N 3.43Å; M92-G96 WeakPolarHBondContact O-CA 3.31Å; M92-G96 PolarHBondContact O-N 2.98Å; M92-I97 HydrophobicContact CB-CG1 4.41Å; M92-I97 HydrophobicContact CG-CD1 3.87Å; M92-I97 HydrophobicContact CG-CG1 3.84Å; M92-I97 HydrophobicContact SD-CD1 3.8Å; M92-I97 HydrophobicContact SD-CG1 4.44Å; M92-L150 HydrophobicContact SD-CD2 4.19Å; M92-L153 HydrophobicContact CB-CD1 3.93Å; M92-L153 HydrophobicContact CE-CB 3.79Å; M92-L153 HydrophobicContact CE-CD1 4.49Å; M92-L153 HydrophobicContact CG-CD1 4.2Å; M92-L153 HydrophobicContact SD-CB 3.6Å; M92-L153 VanDerWaalsContact SD-CB 3.6Å; M92-L153 HydrophobicContact SD-CD1 3.54Å; M92-L153 VanDerWaalsContact SD-CD1 3.54Å; M92-L153 HydrophobicContact SD-CG 4.2Å; M92-E155 HydrophobicContact CE-CG 3.51Å; M92-E155 HydrophobicContact SD-CG 4.05Å
93	H	95.6	Very high	94.1	Very high	111 Å²	111	37 Å²	37	51%	0.514	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-34.9	-179.1	-73	-65.4	0	0	0	113.1	I35 R89 Q90 E155	I35-H93 WeakPolarHBondContact CD1-ND1 3.36Å; R89-H93 PolarHBondContact O-CD2 3.36Å; R89-H93 PolarHBondContact O-N 2.99Å; Q90-H93 PolarHBondContact O-N 3.15Å; H93-E155 IonicContact CE1-OE1 3.27Å; H93-E155 PolarHBondContact CE1-OE1 2.86Å
94	S	94.3	Very high	93.6	Very high	95 Å²	95	42 Å²	42	66%	0.664	22%	0.22	S	C	*	.	H	α-helix	trans	-84.5	-37.8	-179.2	57.5	0	0	0	0	113.9	Q90 L91 M92	Q90-S94 WeakPolarHBondContact O-CB 3.31Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 PolarHBondContact O-OG 3.37Å; L91-S94 PolarHBondContact O-OG 2.95Å; M92-S94 VanDerWaalsContact C-N 3.34Å; M92-S94 PolarHBondContact O-N 3.43Å
95	G	95	Very high	93	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-121.6	-13.6	-171.8	0	0	0	0	0	116.2	F70 L91	F70-G95 WeakPolarHBondContact CZ-O 3.38Å; L91-G95 WeakPolarHBondContact O-CA 3.47Å; L91-G95 PolarHBondContact O-N 3.21Å
96	G	97.4	Very high	92.2	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.021	27%	0.268	C	S	.	.			trans	84.5	-167.6	-176.7	0	0	0	0	0	114.8	L36 G72 I73 M92	L36-G96 CarbonylContact O-C 3.41Å; L36-G96 WeakPolarHBondContact O-CA 3.43Å; G72-G96 WeakPolarHBondContact CA-O 2.94Å; I73-G96 PolarHBondContact N-O 3.49Å; M92-G96 WeakPolarHBondContact O-CA 3.31Å; M92-G96 PolarHBondContact O-N 2.98Å
97	I	98.1	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	177.8	-53.6	172.9	0	0	0	109.2	I35 L36 T37 A38 I73 L75 M92 L146 L150 L153	I35-I97 HydrophobicContact CG2-CG1 4.35Å; L36-I97 PolarHBondContact O-N 3.42Å; T37-I97 CarbonylContact C-O 3.47Å; T37-I97 VanDerWaalsContact CA-O 3.25Å; T37-I97 WeakPolarHBondContact CA-O 3.27Å; A38-I97 PolarHBondContact N-O 3.23Å; I73-I97 HydrophobicContact CD1-CG1 4.47Å; I73-I97 CarbonylContact O-C 3.41Å; I73-I97 WeakPolarHBondContact O-CA 3.36Å; L75-I97 HydrophobicContact CD1-CG2 4.01Å; L75-I97 HydrophobicContact CG-CG2 4.02Å; M92-I97 HydrophobicContact CB-CG1 4.41Å; M92-I97 HydrophobicContact CG-CD1 3.87Å; M92-I97 HydrophobicContact CG-CG1 3.84Å; M92-I97 HydrophobicContact SD-CD1 3.8Å; M92-I97 HydrophobicContact SD-CG1 4.44Å; I97-L146 HydrophobicContact CB-CD2 4.25Å; I97-L146 HydrophobicContact CG2-CD2 3.84Å; I97-L150 HydrophobicContact CD1-CD2 3.88Å; I97-L150 HydrophobicContact CD1-CG 4.06Å; I97-L153 HydrophobicContact CD1-CD1 4.27Å
98	A	98.1	Very high	90.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.9	172.9	0	0	0	0	0	112.6	A38 W40 L64 F70 I73 V74 L75	A38-A98 HydrophobicContact CB-CB 4.02Å; A38-A98 WeakPolarHBondContact O-CA 3.41Å; W40-A98 HydrophobicContact CZ3-CB 4.08Å; L64-A98 HydrophobicContact CD1-CB 4.33Å; F70-A98 HydrophobicContact CD1-CB 3.55Å; F70-A98 HydrophobicContact CD2-CB 4.26Å; F70-A98 HydrophobicContact CE1-CB 3.58Å; F70-A98 HydrophobicContact CE2-CB 4.29Å; F70-A98 HydrophobicContact CG-CB 3.89Å; F70-A98 HydrophobicContact CZ-CB 3.96Å; I73-A98 PolarHBondContact O-N 3.46Å; V74-A98 CarbonylContact C-O 3.45Å; V74-A98 WeakPolarHBondContact CA-O 3.36Å; V74-A98 HydrophobicContact CG2-CB 4.23Å; L75-A98 PolarHBondContact N-O 2.88Å
99	V	97.2	Very high	90	Very high	4 Å²	4	60 Å²	60	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.1	171	-73.8	0	0	0	0	111.1	A38 M39 W40 L75 C142 A145 L146	A38-V99 PolarHBondContact O-N 2.74Å; M39-V99 WeakPolarHBondContact CA-O 3.36Å; M39-V99 HydrophobicContact CB-CG2 3.69Å; W40-V99 PolarHBondContact N-O 3Å; L75-V99 HydrophobicContact CB-CG1 4.01Å; L75-V99 HydrophobicContact CD1-CG1 3.79Å; L75-V99 HydrophobicContact CG-CG1 4.32Å; V99-C142 HydrophobicContact CG2-CB 4.04Å; V99-A145 HydrophobicContact CG1-CB 4.07Å; V99-L146 HydrophobicContact CG1-CD2 3.79Å; V99-L146 HydrophobicContact CG1-CG 3.71Å; V99-L146 HydrophobicContact CG2-CD1 4.14Å; V99-L146 HydrophobicContact CG2-CD2 4.39Å; V99-L146 HydrophobicContact CG2-CG 4.15Å
100	V	94.1	Very high	89.3	Confident	11 Å²	11	56 Å²	56	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.8	170.4	-173.9	0	0	0	0	109.4	W40 F42 V74 L75 C102 F112 L115	W40-V100 HydrophobicContact CE3-CG2 4.22Å; F42-V100 HydrophobicContact CD2-CG1 3.8Å; F42-V100 HydrophobicContact CE2-CG1 3.53Å; V74-V100 HydrophobicContact CG1-CG2 4.26Å; L75-V100 PolarHBondContact O-N 3.22Å; V100-C102 PolarHBondContact O-N 3.29Å; V100-F112 HydrophobicContact CB-CE1 4.39Å; V100-F112 HydrophobicContact CG1-CD1 4.14Å; V100-F112 HydrophobicContact CG1-CE1 3.75Å; V100-L115 HydrophobicContact CB-CD1 4.32Å; V100-L115 HydrophobicContact CG1-CD1 3.81Å; V100-L115 HydrophobicContact CG2-CD1 3.48Å; V100-L115 VanDerWaalsContact CG2-CD1 3.48Å
101	D	92.6	Very high	89	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.4	173.6	-166	70.5	0	0	0	109.6	M39 W40 D41 F42 C50 C142	M39-D101 HydrophobicContact CE-CB 3.25Å; W40-D101 WeakPolarHBondContact O-CB 3.35Å; W40-D101 PolarHBondContact O-N 3.19Å; D41-D101 HydrophobicContact CB-CB 4.39Å; F42-D101 PolarHBondContact N-O 3.39Å; F42-D101 VanDerWaalsContact N-O 3.08Å; C50-D101 PolarHBondContact SG-OD1 3.48Å; C50-D101 PolarHBondContact SG-OD2 3.08Å; D101-C142 PolarHBondContact OD1-SG 2.97Å
102	C	87.5	Confident	88.5	Confident	18 Å²	18	49.1 Å²	49.1	12%	0.122	27%	0.271	C	S	.	.			trans	-145.1	161.7	176.5	59.7	0	0	0	0	108.8	F42 V100 T110 F112	F42-C102 HydrophobicContact CD2-CB 4.42Å; V100-C102 PolarHBondContact O-N 3.29Å; C102-T110 HydrophobicContact CB-CG2 3.96Å; C102-F112 HydrophobicContact CB-CZ 4.49Å
103	S	84.4	Confident	88	Confident	29 Å²	29	59.3 Å²	59.3	20%	0.203	32%	0.315	C	S	.	.			trans	-76.3	127.6	173.9	177.7	0	0	0	0	109.6	A105 Q106	S103-A105 PolarHBondContact O-N 3.39Å; S103-A105 PolarHBondContact OG-N 3.49Å; S103-Q106 PolarHBondContact O-N 2.89Å
104	W	80.8	Confident	87.6	Confident	104 Å²	104	60.6 Å²	60.6	39%	0.394	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.9	168.5	-75	109.7	0	0	0	113	P77 L107 Q139 L140	P77-W104 HydrophobicContact CB-CZ3 4.46Å; W104-L107 HydrophobicContact CE3-CD1 3.87Å; W104-L107 HydrophobicContact CE3-CD2 4.49Å; W104-L107 HydrophobicContact CZ3-CD1 4.14Å; W104-Q139 HydrophobicContact CD2-CG 4.49Å; W104-L140 PolarHBondContact NE1-O 3.02Å
105	A	79.5	Confident	87.3	Confident	90 Å²	90	56.8 Å²	56.8	74%	0.744	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.6	177.8	0	0	0	0	0	114.4	S103	S103-A105 PolarHBondContact O-N 3.39Å; S103-A105 PolarHBondContact OG-N 3.49Å
106	Q	79.9	Confident	87.1	Confident	75 Å²	75	61.9 Å²	61.9	35%	0.35	31%	0.309	S	S	.	.			trans	-125.2	21.4	-175.5	-64.1	-177.8	-14.1	0	0	112.4	Q44 S103 E108 Q109 T110	Q44-Q106 VanDerWaalsContact CD-OE1 3.29Å; Q44-Q106 VanDerWaalsContact CG-OE1 3.32Å; S103-Q106 PolarHBondContact O-N 2.89Å; Q106-E108 VanDerWaalsContact C-N 3.33Å; Q106-E108 PolarHBondContact O-N 3.04Å; Q106-Q109 PolarHBondContact O-N 3.02Å; Q106-Q109 VanDerWaalsContact O-N 3.13Å; Q106-T110 WeakPolarHBondContact O-CB 3.37Å; Q106-T110 PolarHBondContact O-N 3.28Å; Q106-T110 PolarHBondContact O-OG1 3.22Å
107	L	78.1	Confident	86.8	Confident	53 Å²	53	64.4 Å²	64.4	28%	0.277	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54.3	-47.5	-176.5	-67.5	-177.4	0	0	0	112.1	P77 W104 Q109 T110 F112	P77-L107 HydrophobicContact CB-CD1 4.35Å; P77-L107 HydrophobicContact CB-CD2 4.22Å; P77-L107 HydrophobicContact CG-CD2 3.69Å; W104-L107 HydrophobicContact CE3-CD1 3.87Å; W104-L107 HydrophobicContact CE3-CD2 4.49Å; W104-L107 HydrophobicContact CZ3-CD1 4.14Å; L107-Q109 VanDerWaalsContact C-N 3.26Å; L107-Q109 PolarHBondContact O-N 3.02Å; L107-T110 PolarHBondContact O-N 3.46Å; L107-F112 HydrophobicContact CD2-CE2 4.25Å; L107-F112 HydrophobicContact CD2-CZ 3.85Å; L107-F112 VanDerWaalsContact O-CE2 3.25Å; L107-F112 WeakPolarHBondContact O-CE2 3.47Å
108	E	76.8	Confident	86.3	Confident	188 Å²	188	72 Å²	72	88%	0.879	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.1	-30.1	-178.2	-61.8	-174.9	170.3	0	0	113.4	Q106	Q106-E108 VanDerWaalsContact C-N 3.33Å; Q106-E108 PolarHBondContact O-N 3.04Å
109	Q	79.4	Confident	86	Confident	162 Å²	162	74.8 Å²	74.8	76%	0.757	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-91.7	-11.5	-179.3	-61.3	174	20.1	0	0	112.6	Q106 L107	Q106-Q109 PolarHBondContact O-N 3.02Å; Q106-Q109 VanDerWaalsContact O-N 3.13Å; L107-Q109 VanDerWaalsContact C-N 3.26Å; L107-Q109 PolarHBondContact O-N 3.02Å
110	T	81.2	Confident	85.8	Confident	12 Å²	12	75.1 Å²	75.1	7%	0.074	37%	0.372	C	S	.	.	S	Bend	trans	-74.7	131	-175.8	-63.8	0	0	0	0	110	F42 Q44 C102 Q106 L107 F112	F42-T110 HydrophobicContact CD1-CG2 3.85Å; F42-T110 HydrophobicContact CD2-CG2 3.7Å; F42-T110 HydrophobicContact CE1-CG2 3.89Å; F42-T110 HydrophobicContact CE2-CG2 3.74Å; F42-T110 HydrophobicContact CG-CG2 3.76Å; F42-T110 HydrophobicContact CZ-CG2 3.83Å; Q44-T110 PolarHBondContact NE2-OG1 2.85Å; Q44-T110 PolarHBondContact OE1-OG1 3.33Å; C102-T110 HydrophobicContact CB-CG2 3.96Å; Q106-T110 WeakPolarHBondContact O-CB 3.37Å; Q106-T110 PolarHBondContact O-N 3.28Å; Q106-T110 PolarHBondContact O-OG1 3.22Å; L107-T110 PolarHBondContact O-N 3.46Å; T110-F112 HydrophobicContact CG2-CD1 4.06Å; T110-F112 HydrophobicContact CG2-CD2 4.06Å; T110-F112 HydrophobicContact CG2-CE1 3.77Å; T110-F112 HydrophobicContact CG2-CE2 3.8Å; T110-F112 HydrophobicContact CG2-CG 4.19Å; T110-F112 HydrophobicContact CG2-CZ 3.62Å; T110-F112 WeakPolarHBondContact O-CD2 3.21Å; T110-F112 PolarHBondContact O-N 3.22Å
111	G	86.4	Confident	85.8	Confident	25 Å²	25	76.1 Å²	76.1	26%	0.258	37%	0.374	S	S	.	.			trans	-74.5	50.6	-175.2	0	0	0	0	0	114.6	K113 K114	G111-K113 PolarHBondContact O-N 2.7Å; G111-K113 VanDerWaalsContact O-N 3.11Å; G111-K114 WeakPolarHBondContact O-CB 3.03Å; G111-K114 WeakPolarHBondContact O-CG 3.29Å; G111-K114 PolarHBondContact O-N 3.5Å
112	F	86.2	Confident	85.8	Confident	24 Å²	24	78.6 Å²	78.6	11%	0.105	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-55.2	-30.5	-177.2	-66.7	-68.7	0	0	0	113.4	P77 T78 V100 C102 L107 T110 K114 L115	P77-F112 HydrophobicContact CG-CE1 3.96Å; P77-F112 HydrophobicContact CG-CE2 4.3Å; P77-F112 HydrophobicContact CG-CZ 3.6Å; T78-F112 HydrophobicContact CG2-CB 3.85Å; T78-F112 HydrophobicContact CG2-CD1 4.12Å; T78-F112 HydrophobicContact CG2-CD2 3.53Å; T78-F112 HydrophobicContact CG2-CE2 4.02Å; T78-F112 HydrophobicContact CG2-CG 3.58Å; V100-F112 HydrophobicContact CB-CE1 4.39Å; V100-F112 HydrophobicContact CG1-CD1 4.14Å; V100-F112 HydrophobicContact CG1-CE1 3.75Å; C102-F112 HydrophobicContact CB-CZ 4.49Å; L107-F112 HydrophobicContact CD2-CE2 4.25Å; L107-F112 HydrophobicContact CD2-CZ 3.85Å; L107-F112 VanDerWaalsContact O-CE2 3.25Å; L107-F112 WeakPolarHBondContact O-CE2 3.47Å; T110-F112 HydrophobicContact CG2-CD1 4.06Å; T110-F112 HydrophobicContact CG2-CD2 4.06Å; T110-F112 HydrophobicContact CG2-CE1 3.77Å; T110-F112 HydrophobicContact CG2-CE2 3.8Å; T110-F112 HydrophobicContact CG2-CG 4.19Å; T110-F112 HydrophobicContact CG2-CZ 3.62Å; T110-F112 WeakPolarHBondContact O-CD2 3.21Å; T110-F112 PolarHBondContact O-N 3.22Å; F112-K114 PolarHBondContact O-N 3.35Å; F112-L115 HydrophobicContact CD1-CD1 4.19Å; F112-L115 WeakPolarHBondContact O-CB 3.49Å; F112-L115 WeakPolarHBondContact O-CG 3.45Å; F112-L115 PolarHBondContact O-N 3.29Å
113	K	86.3	Confident	86.1	Confident	215 Å²	215	79.2 Å²	79.2	94%	0.935	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-56.5	-19	175.2	-62.8	-175.8	-179.7	-179.3	0	114	G111	G111-K113 PolarHBondContact O-N 2.7Å; G111-K113 VanDerWaalsContact O-N 3.11Å
114	K	86.2	Confident	86.5	Confident	139 Å²	139	77.9 Å²	77.9	60%	0.604	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-78.8	-21.9	178.6	-63.1	178.2	-179.3	176.4	0	112.9	G111 F112	G111-K114 WeakPolarHBondContact O-CB 3.03Å; G111-K114 WeakPolarHBondContact O-CG 3.29Å; G111-K114 PolarHBondContact O-N 3.5Å; F112-K114 PolarHBondContact O-N 3.35Å
115	L	88.4	Confident	87	Confident	15 Å²	15	73 Å²	73	8%	0.079	36%	0.361	C	S	.	.			trans	-78.1	141.1	-175.1	-53.1	-177.6	0	0	0	110.7	W40 F42 L66 V100 F112 F117	W40-L115 HydrophobicContact CB-CD2 3.97Å; W40-L115 HydrophobicContact CD2-CD2 3.87Å; W40-L115 HydrophobicContact CE3-CD1 4.46Å; W40-L115 HydrophobicContact CG-CD2 3.6Å; F42-L115 HydrophobicContact CE2-CD1 4.07Å; F42-L115 HydrophobicContact CE2-CD2 4.01Å; F42-L115 HydrophobicContact CE2-CG 4.29Å; F42-L115 HydrophobicContact CZ-CD1 4.36Å; F42-L115 HydrophobicContact CZ-CD2 3.93Å; F42-L115 HydrophobicContact CZ-CG 4.15Å; L66-L115 HydrophobicContact CD2-CD2 4.27Å; V100-L115 HydrophobicContact CB-CD1 4.32Å; V100-L115 HydrophobicContact CG1-CD1 3.81Å; V100-L115 HydrophobicContact CG2-CD1 3.48Å; V100-L115 VanDerWaalsContact CG2-CD1 3.48Å; F112-L115 HydrophobicContact CD1-CD1 4.19Å; F112-L115 WeakPolarHBondContact O-CB 3.49Å; F112-L115 WeakPolarHBondContact O-CG 3.45Å; F112-L115 PolarHBondContact O-N 3.29Å; L115-F117 HydrophobicContact CB-CD1 4.04Å; L115-F117 HydrophobicContact CB-CE1 4.09Å
116	K	90.7	Very high	87.7	Confident	124 Å²	124	68.7 Å²	68.7	54%	0.539	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	103.9	-179.1	-65.1	-176.3	-178.2	180	0	110.3	S69 F70	S69-K116 VanDerWaalsContact CA-O 3.27Å; S69-K116 WeakPolarHBondContact CA-O 3.39Å; F70-K116 PolarHBondContact N-O 3.06Å; F70-K116 VanDerWaalsContact N-O 3.08Å
117	F	91.5	Very high	88.3	Confident	54 Å²	54	65.9 Å²	65.9	24%	0.237	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.4	175.9	63.1	-92.9	0	0	0	110.8	W40 V74 T76 L115	W40-F117 HydrophobicContact CH2-CB 4.29Å; V74-F117 HydrophobicContact CB-CB 4.08Å; V74-F117 HydrophobicContact CB-CD1 4.38Å; V74-F117 HydrophobicContact CB-CD2 4.02Å; V74-F117 HydrophobicContact CB-CG 3.9Å; V74-F117 HydrophobicContact CG1-CD1 4.07Å; V74-F117 HydrophobicContact CG1-CD2 4.45Å; V74-F117 HydrophobicContact CG1-CE1 4.43Å; V74-F117 HydrophobicContact CG1-CG 4.1Å; V74-F117 HydrophobicContact CG2-CB 3.41Å; V74-F117 VanDerWaalsContact CG2-CB 3.41Å; V74-F117 HydrophobicContact CG2-CD1 4.44Å; V74-F117 HydrophobicContact CG2-CD2 4.29Å; V74-F117 HydrophobicContact CG2-CG 3.81Å; T76-F117 HydrophobicContact CG2-CE1 4.36Å; T76-F117 HydrophobicContact CG2-CE2 4.05Å; T76-F117 HydrophobicContact CG2-CZ 3.69Å; L115-F117 HydrophobicContact CB-CD1 4.04Å; L115-F117 HydrophobicContact CB-CE1 4.09Å
118	H	87.2	Confident	88.8	Confident	161 Å²	161	63.3 Å²	63.3	75%	0.745	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	-28.5	178.2	-63.8	-68.9	0	0	0	113.2
119	H	92.2	Very high	89.6	Confident	58 Å²	58	54.6 Å²	54.6	27%	0.269	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	66.1	-170.9	-52.9	-56.8	0	0	0	111.8	G71 V74 L91	G71-H119 PolarHBondContact O-CD2 2.88Å; V74-H119 PolarHBondContact N-O 2.83Å; L91-H119 HydrophobicContact CD1-CB 4.14Å
120	G	92.2	Very high	90.2	Very high	11 Å²	11	47.3 Å²	47.3	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.9	174	0	0	0	0	0	111.9	V74	V74-G120 CarbonylContact O-C 3.58Å; V74-G120 VanDerWaalsContact O-CA 3.3Å; V74-G120 WeakPolarHBondContact O-CA 3.32Å
121	R	95.2	Very high	90.4	Very high	32 Å²	32	51.3 Å²	51.3	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.2	175.8	-61.3	-64.5	-178.4	-94.2	-2.2	112.4	I73 V74 L75 T76 A79 C81 L83 D88	I73-R121 HydrophobicContact CG2-CB 4.01Å; I73-R121 HydrophobicContact CG2-CG 3.62Å; V74-R121 PolarHBondContact O-N 2.83Å; L75-R121 WeakPolarHBondContact CA-O 3.31Å; L75-R121 HydrophobicContact CD2-CB 4.23Å; T76-R121 PolarHBondContact N-O 3.47Å; A79-R121 VanDerWaalsContact CB-C 3.43Å; C81-R121 CarbonylContact O-C 3.5Å; C81-R121 VanDerWaalsContact O-CA 3.26Å; C81-R121 WeakPolarHBondContact O-CA 3.48Å; L83-R121 HydrophobicContact CD1-CB 4.21Å; L83-R121 HydrophobicContact CD1-CG 4.33Å; D88-R121 VanDerWaalsContact CG-NE 3.32Å; D88-R121 IonicContact OD1-CZ 2.79Å; D88-R121 VanDerWaalsContact OD1-CZ 3.29Å; D88-R121 IonicContact OD1-NE 2.78Å; D88-R121 PolarHBondContact OD1-NE 2.88Å; D88-R121 IonicContact OD1-NH2 2.74Å; D88-R121 PolarHBondContact OD1-NH2 2.97Å; D88-R121 WeakPolarHBondContact OD2-CD 3.21Å; D88-R121 IonicContact OD2-CZ 2.64Å; D88-R121 IonicContact OD2-NE 3.6Å; D88-R121 PolarHBondContact OD2-NE 3.49Å
122	L	91	Very high	90.3	Very high	61 Å²	61	56.1 Å²	56.1	32%	0.319	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-91.6	147.6	162.3	-64.1	172.5	0	0	0	109.4	A79 C81 V82 L83	A79-L122 HydrophobicContact CB-CD2 4.22Å; A79-L122 HydrophobicContact CB-CG 4.02Å; A79-L122 WeakPolarHBondContact O-CD1 3.03Å; A79-L122 WeakPolarHBondContact O-CG 3.28Å; C81-L122 PolarHBondContact O-N 3.38Å; V82-L122 WeakPolarHBondContact CA-O 3.47Å; V82-L122 HydrophobicContact CG2-CB 4.21Å; L83-L122 PolarHBondContact N-O 3.35Å
123	L	94.3	Very high	90.2	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-87.5	144.5	167.4	-81.3	170.4	0	0	0	110	L75 L140 A145 A148 S149 I152	L75-L123 HydrophobicContact CD1-CD1 4.21Å; L75-L123 HydrophobicContact CD2-CG 4.38Å; L123-L140 HydrophobicContact CD1-CD1 3.81Å; L123-A145 HydrophobicContact CD1-CB 3.79Å; L123-A148 HydrophobicContact CD1-CB 3.96Å; L123-A148 HydrophobicContact CD2-CB 4.05Å; L123-S149 WeakPolarHBondContact CD2-OG 3.4Å; L123-I152 HydrophobicContact CD2-CD1 4.13Å
124	P	92.8	Very high	90.2	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.013	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-68.1	170.4	171.9	31.9	-36.5	0	0	0	111.5	V82 L126 I152 Y183 I192 Q196	V82-P124 HydrophobicContact CG1-CB 4.4Å; P124-L126 PolarHBondContact O-N 3.33Å; P124-I152 HydrophobicContact CG-CD1 3.83Å; P124-Y183 HydrophobicContact CB-CD1 4.36Å; P124-Y183 HydrophobicContact CB-CD2 4.1Å; P124-Y183 HydrophobicContact CB-CE1 3.99Å; P124-Y183 HydrophobicContact CB-CE2 3.7Å; P124-Y183 HydrophobicContact CB-CG 4.42Å; P124-Y183 HydrophobicContact CG-CD1 4.25Å; P124-Y183 HydrophobicContact CG-CD2 3.42Å; P124-Y183 VanDerWaalsContact CG-CD2 3.42Å; P124-Y183 HydrophobicContact CG-CE1 4.3Å; P124-Y183 HydrophobicContact CG-CE2 3.48Å; P124-Y183 VanDerWaalsContact CG-CE2 3.48Å; P124-Y183 HydrophobicContact CG-CG 3.84Å; P124-I192 HydrophobicContact CB-CG2 3.47Å; P124-I192 VanDerWaalsContact CB-CG2 3.47Å; P124-I192 HydrophobicContact CG-CG2 3.73Å; P124-Q196 VanDerWaalsContact CA-OE1 3.25Å
125	L	92.1	Very high	90	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.252	C	S	.	.	S	Bend	trans	-50.1	114.9	178.2	171.2	68	0	0	0	111.3	I127 P137 F138 R179 Y183 Q196 F199 L200 I203	L125-I127 HydrophobicContact CD1-CD1 4.33Å; L125-P137 HydrophobicContact CD1-CB 3.5Å; L125-F138 VanDerWaalsContact CA-CE1 3.46Å; L125-F138 HydrophobicContact CB-CE1 3.71Å; L125-F138 HydrophobicContact CB-CZ 3.78Å; L125-F138 HydrophobicContact CD1-CD2 4.14Å; L125-F138 HydrophobicContact CD1-CE1 4.1Å; L125-F138 HydrophobicContact CD1-CE2 3.68Å; L125-F138 HydrophobicContact CD1-CZ 3.66Å; L125-F138 HydrophobicContact CG-CZ 4.27Å; L125-R179 WeakPolarHBondContact O-CD 3.44Å; L125-Y183 VanDerWaalsContact O-CE2 3.28Å; L125-Y183 WeakPolarHBondContact O-CE2 3.18Å; L125-Y183 PolarHBondContact O-OH 3.43Å; L125-Q196 HydrophobicContact CB-CG 3.78Å; L125-F199 HydrophobicContact CD2-CB 3.77Å; L125-L200 HydrophobicContact CD2-CD2 3.79Å; L125-L200 HydrophobicContact CD2-CG 3.88Å; L125-I203 HydrophobicContact CD1-CD1 3.99Å; L125-I203 HydrophobicContact CD2-CD1 3.62Å; L125-I203 HydrophobicContact CG-CD1 4.27Å
126	L	94	Very high	89.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.			trans	-137	155.6	169.5	-68.2	167.5	0	0	0	108.3	P124 F138 L140 A148 F172 N176 R179 L180 Y183	P124-L126 PolarHBondContact O-N 3.33Å; L126-F138 PolarHBondContact O-N 3.27Å; L126-L140 HydrophobicContact CB-CD1 4.17Å; L126-L140 HydrophobicContact CB-CD2 4.16Å; L126-L140 HydrophobicContact CD1-CD1 4.13Å; L126-A148 HydrophobicContact CD1-CB 3.41Å; L126-A148 VanDerWaalsContact CD1-CB 3.41Å; L126-F172 HydrophobicContact CB-CZ 4.49Å; L126-F172 HydrophobicContact CD1-CZ 4.21Å; L126-N176 HydrophobicContact CD2-CB 3.72Å; L126-R179 HydrophobicContact CD2-CB 3.86Å; L126-L180 HydrophobicContact CD1-CD2 3.98Å; L126-L180 HydrophobicContact CD2-CD2 3.78Å; L126-L180 HydrophobicContact CD2-CG 3.89Å; L126-Y183 HydrophobicContact CD2-CD2 4.37Å; L126-Y183 HydrophobicContact CD2-CE2 4.02Å; L126-Y183 HydrophobicContact CG-CE2 4.3Å
127	I	91.3	Very high	89.2	Confident	15 Å²	15	47 Å²	47	8%	0.077	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-102.1	127.7	-178.1	-52	-56.9	0	0	0	108.9	L125 G135 P137 L175 N176 R179 I203	L125-I127 HydrophobicContact CD1-CD1 4.33Å; I127-G135 VanDerWaalsContact CG2-CA 3.47Å; I127-P137 HydrophobicContact CD1-CB 3.89Å; I127-L175 HydrophobicContact CB-CD2 4Å; I127-L175 HydrophobicContact CB-CG 4.19Å; I127-L175 HydrophobicContact CG2-CD2 3.72Å; I127-L175 HydrophobicContact CG2-CG 4.26Å; I127-N176 PolarHBondContact N-OD1 3.28Å; I127-N176 PolarHBondContact O-ND2 3.27Å; I127-R179 VanDerWaalsContact CG1-NH1 3.34Å; I127-I203 HydrophobicContact CD1-CD1 4.06Å
128	A	90.1	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.			trans	-65.3	137.2	176.7	0	0	0	0	0	111.6	K133 Y134 G135 K136 Q139 L140	A128-K133 HydrophobicContact CB-CB 4.04Å; A128-K133 VanDerWaalsContact CB-O 3.28Å; A128-K133 WeakPolarHBondContact CB-O 3.32Å; A128-Y134 CarbonylContact O-C 3.52Å; A128-Y134 WeakPolarHBondContact O-CA 2.98Å; A128-G135 PolarHBondContact O-N 3.25Å; A128-K136 PolarHBondContact N-O 2.83Å; A128-Q139 WeakPolarHBondContact CB-O 3.36Å; A128-L140 HydrophobicContact CB-CD2 4.27Å
129	S	93.1	Very high	89.1	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.028	23%	0.233	C	C	.	.			trans	-107.6	-11.2	173.9	69.6	0	0	0	0	112.8	Y134 E144 F172	S129-Y134 WeakPolarHBondContact O-CD2 3.3Å; S129-E144 WeakPolarHBondContact CA-OE1 3.37Å; S129-E144 PolarHBondContact N-OE1 2.87Å; S129-E144 PolarHBondContact OG-OE1 3.06Å; S129-F172 WeakPolarHBondContact OG-CA 3.42Å; S129-F172 WeakPolarHBondContact OG-CB 3.28Å; S129-F172 PolarHBondContact OG-N 3.39Å
130	N	91	Very high	89.1	Confident	10 Å²	10	42 Å²	42	5%	0.053	22%	0.223	C	C	.	.	S	Bend	trans	-64	147.4	-180	73.3	79.4	0	0	0	111.7	V132 K133 Y134 E144 W168	N130-V132 PolarHBondContact O-N 3.07Å; N130-V132 WeakPolarHBondContact OD1-CA 3.49Å; N130-V132 WeakPolarHBondContact OD1-CB 3.3Å; N130-V132 PolarHBondContact OD1-N 3Å; N130-K133 PolarHBondContact O-N 2.93Å; N130-K133 PolarHBondContact OD1-N 2.77Å; N130-Y134 WeakPolarHBondContact O-CA 3.42Å; N130-Y134 WeakPolarHBondContact O-CB 3.12Å; N130-Y134 PolarHBondContact O-N 3.08Å; N130-E144 PolarHBondContact N-OE1 3.03Å; N130-E144 PolarHBondContact ND2-OE2 3.25Å; N130-W168 HydrophobicContact CB-CD2 4.47Å; N130-W168 HydrophobicContact CB-CE3 4.15Å; N130-W168 HydrophobicContact CB-CH2 3.43Å; N130-W168 VanDerWaalsContact CB-CH2 3.43Å; N130-W168 HydrophobicContact CB-CZ2 3.76Å; N130-W168 HydrophobicContact CB-CZ3 3.64Å
131	P	86.8	Confident	89.3	Confident	95 Å²	95	42.5 Å²	42.5	62%	0.617	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.2	-176.6	-26.6	34.2	0	0	0	115.6	W168	P131-W168 VanDerWaalsContact CD-CD1 3.46Å; P131-W168 VanDerWaalsContact CD-CE2 3.47Å; P131-W168 VanDerWaalsContact CD-NE1 3.35Å; P131-W168 HydrophobicContact CG-CD2 4.45Å; P131-W168 HydrophobicContact CG-CG 3.95Å
132	V	84.9	Confident	89.3	Confident	126 Å²	126	41.7 Å²	41.7	76%	0.764	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-36.2	-177.7	-176.4	0	0	0	0	111.4	N130	N130-V132 PolarHBondContact O-N 3.07Å; N130-V132 WeakPolarHBondContact OD1-CA 3.49Å; N130-V132 WeakPolarHBondContact OD1-CB 3.3Å; N130-V132 PolarHBondContact OD1-N 3Å
133	K	84	Confident	89.6	Confident	69 Å²	69	38.8 Å²	38.8	30%	0.3	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	18.7	-173.2	-62.4	-65.4	-169	159.1	0	113.2	A128 N130 G135 K136 Q139	A128-K133 HydrophobicContact CB-CB 4.04Å; A128-K133 VanDerWaalsContact CB-O 3.28Å; A128-K133 WeakPolarHBondContact CB-O 3.32Å; N130-K133 PolarHBondContact O-N 2.93Å; N130-K133 PolarHBondContact OD1-N 2.77Å; K133-G135 PolarHBondContact O-N 3.47Å; K133-K136 HydrophobicContact CB-CB 4.45Å; K133-K136 HydrophobicContact CB-CG 4.47Å; K133-K136 VanDerWaalsContact O-CB 3.24Å; K133-K136 WeakPolarHBondContact O-CB 3.42Å; K133-K136 WeakPolarHBondContact O-CG 3.48Å; K133-K136 PolarHBondContact O-N 3.47Å; K133-Q139 HydrophobicContact CB-CB 4.46Å; K133-Q139 HydrophobicContact CG-CB 4.44Å
134	Y	85.6	Confident	89.8	Confident	134 Å²	134	37.3 Å²	37.3	53%	0.525	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	130.6	-178.1	-173.8	-92.5	0	0	0	112.5	A128 S129 N130 K136 Q171 L175	A128-Y134 CarbonylContact O-C 3.52Å; A128-Y134 WeakPolarHBondContact O-CA 2.98Å; S129-Y134 WeakPolarHBondContact O-CD2 3.3Å; N130-Y134 WeakPolarHBondContact O-CA 3.42Å; N130-Y134 WeakPolarHBondContact O-CB 3.12Å; N130-Y134 PolarHBondContact O-N 3.08Å; Y134-K136 PolarHBondContact O-N 2.96Å; Y134-Q171 HydrophobicContact CE2-CG 4.4Å; Y134-L175 HydrophobicContact CE2-CD2 4.42Å
135	G	81.8	Confident	90	Very high	32 Å²	32	37.8 Å²	37.8	33%	0.33	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-8.4	180	0	0	0	0	0	115.2	I127 A128 K133	I127-G135 VanDerWaalsContact CG2-CA 3.47Å; A128-G135 PolarHBondContact O-N 3.25Å; K133-G135 PolarHBondContact O-N 3.47Å
136	K	78.8	Confident	90.3	Very high	46 Å²	46	37.8 Å²	37.8	20%	0.2	21%	0.205	C	C	.	.			trans	-79	129.4	-180	-61.5	-63.4	-175.3	179.7	0	110.9	A128 K133 Y134 Q139 H313 H317	A128-K136 PolarHBondContact N-O 2.83Å; K133-K136 HydrophobicContact CB-CB 4.45Å; K133-K136 HydrophobicContact CB-CG 4.47Å; K133-K136 VanDerWaalsContact O-CB 3.24Å; K133-K136 WeakPolarHBondContact O-CB 3.42Å; K133-K136 WeakPolarHBondContact O-CG 3.48Å; K133-K136 PolarHBondContact O-N 3.47Å; Y134-K136 PolarHBondContact O-N 2.96Å; K136-Q139 HydrophobicContact CB-CB 4.19Å; K136-H313 PolarHBondContact NZ-O 3.43Å; K136-H317 PolarHBondContact NZ-CD2 3.34Å; K136-H317 VanDerWaalsContact NZ-CD2 3.25Å; K136-H317 PolarHBondContact NZ-NE2 2.85Å
137	P	84.6	Confident	90.5	Very high	46 Å²	46	37.8 Å²	37.8	30%	0.299	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-69.9	146.9	172.7	30.3	-34.4	0	0	0	110.7	L125 I127 Q139	L125-P137 HydrophobicContact CD1-CB 3.5Å; I127-P137 HydrophobicContact CD1-CB 3.89Å; P137-Q139 PolarHBondContact O-N 3.37Å
138	F	87.8	Confident	90.9	Very high	91 Å²	91	37.1 Å²	37.1	40%	0.399	20%	0.202	S	C	.	.	S	Bend	trans	64.2	-21.3	176.7	-53.2	-77.3	0	0	0	117	L125 L126 L140 L200	L125-F138 VanDerWaalsContact CA-CE1 3.46Å; L125-F138 HydrophobicContact CB-CE1 3.71Å; L125-F138 HydrophobicContact CB-CZ 3.78Å; L125-F138 HydrophobicContact CD1-CD2 4.14Å; L125-F138 HydrophobicContact CD1-CE1 4.1Å; L125-F138 HydrophobicContact CD1-CE2 3.68Å; L125-F138 HydrophobicContact CD1-CZ 3.66Å; L125-F138 HydrophobicContact CG-CZ 4.27Å; L126-F138 PolarHBondContact O-N 3.27Å; F138-L140 VanDerWaalsContact C-N 3.26Å; F138-L140 PolarHBondContact O-N 2.91Å; F138-L200 HydrophobicContact CZ-CD2 4.34Å
139	Q	87.1	Confident	91.2	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	20%	0.202	S	C	.	.			trans	-86.2	57.9	-174.6	-62.8	-170	17	0	0	113	W104 A128 K133 K136 P137	W104-Q139 HydrophobicContact CD2-CG 4.49Å; A128-Q139 WeakPolarHBondContact CB-O 3.36Å; K133-Q139 HydrophobicContact CB-CB 4.46Å; K133-Q139 HydrophobicContact CG-CB 4.44Å; K136-Q139 HydrophobicContact CB-CB 4.19Å; P137-Q139 PolarHBondContact O-N 3.37Å
140	L	93.1	Very high	91.5	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	20%	0.2	C	C	.	.			trans	-70.6	151.3	178.7	-55.4	-174	0	0	0	111.6	W104 L123 L126 A128 F138 E144 A145 A148 F172	W104-L140 PolarHBondContact NE1-O 3.02Å; L123-L140 HydrophobicContact CD1-CD1 3.81Å; L126-L140 HydrophobicContact CB-CD1 4.17Å; L126-L140 HydrophobicContact CB-CD2 4.16Å; L126-L140 HydrophobicContact CD1-CD1 4.13Å; A128-L140 HydrophobicContact CB-CD2 4.27Å; F138-L140 VanDerWaalsContact C-N 3.26Å; F138-L140 PolarHBondContact O-N 2.91Å; L140-E144 HydrophobicContact CB-CB 3.99Å; L140-E144 HydrophobicContact CD2-CB 4.37Å; L140-A145 HydrophobicContact CB-CB 4.47Å; L140-A148 HydrophobicContact CD1-CB 4.45Å; L140-F172 HydrophobicContact CD1-CZ 4.18Å; L140-F172 HydrophobicContact CD2-CE2 3.68Å; L140-F172 HydrophobicContact CD2-CZ 4.11Å
141	S	95.1	Very high	91.8	Very high	22 Å²	22	38 Å²	38	15%	0.154	20%	0.204	C	C	.	.			trans	-80.3	166	165.2	68.6	0	0	0	0	111.3	S51 V143 E144 A145	S51-S141 WeakPolarHBondContact OG-CB 3.37Å; S141-V143 VanDerWaalsContact C-N 3.31Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG1 3.15Å; S141-E144 VanDerWaalsContact CB-OE2 3.32Å; S141-E144 WeakPolarHBondContact CB-OE2 3.15Å; S141-E144 PolarHBondContact N-OE2 2.76Å; S141-E144 PolarHBondContact O-N 3.36Å; S141-E144 VanDerWaalsContact O-N 3.07Å; S141-E144 WeakPolarHBondContact OG-CG 3.04Å; S141-E144 PolarHBondContact OG-OE2 2.81Å; S141-A145 PolarHBondContact O-N 2.9Å
142	C	96.4	Very high	92.3	Very high	15 Å²	15	33.4 Å²	33.4	10%	0.101	17%	0.174	C	C	.	.	H	α-helix	trans	-53.9	-42.2	179.8	-74.2	0	0	0	0	113.9	S51 V99 D101 L146	S51-C142 PolarHBondContact OG-N 3.39Å; V99-C142 HydrophobicContact CG2-CB 4.04Å; D101-C142 PolarHBondContact OD1-SG 2.97Å; C142-L146 WeakPolarHBondContact O-CG 3.47Å; C142-L146 PolarHBondContact O-N 3.13Å
143	V	97.8	Very high	92.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.1	63.6	0	0	0	0	112.5	L55 S141 A145 L146 A147 L162 L163 F166 W168	L55-V143 HydrophobicContact CD1-CB 3.95Å; L55-V143 HydrophobicContact CD1-CG2 4.04Å; L55-V143 HydrophobicContact CD2-CG2 4.35Å; S141-V143 VanDerWaalsContact C-N 3.31Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG1 3.15Å; V143-A145 VanDerWaalsContact C-N 3.35Å; V143-L146 PolarHBondContact O-N 3.49Å; V143-A147 VanDerWaalsContact O-CB 3.25Å; V143-A147 WeakPolarHBondContact O-CB 3.32Å; V143-A147 PolarHBondContact O-N 3.46Å; V143-L162 HydrophobicContact CG2-CB 4.15Å; V143-L163 HydrophobicContact CG2-CD2 4.29Å; V143-F166 HydrophobicContact CB-CE2 3.88Å; V143-F166 HydrophobicContact CB-CZ 4.08Å; V143-F166 HydrophobicContact CG1-CD2 4.23Å; V143-F166 HydrophobicContact CG1-CE1 4.33Å; V143-F166 HydrophobicContact CG1-CE2 3.95Å; V143-F166 HydrophobicContact CG1-CZ 3.99Å; V143-F166 HydrophobicContact CG2-CD2 3.98Å; V143-F166 HydrophobicContact CG2-CE2 3.56Å; V143-F166 HydrophobicContact CG2-CZ 4.26Å; V143-W168 HydrophobicContact CG1-CH2 3.75Å; V143-W168 HydrophobicContact CG1-CZ2 4.47Å
144	E	98.1	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.1	-39.1	179.1	-71.5	167.1	131.6	0	0	110.8	S129 N130 L140 S141 A147 A148 W168 F172	S129-E144 WeakPolarHBondContact CA-OE1 3.37Å; S129-E144 PolarHBondContact N-OE1 2.87Å; S129-E144 PolarHBondContact OG-OE1 3.06Å; N130-E144 PolarHBondContact N-OE1 3.03Å; N130-E144 PolarHBondContact ND2-OE2 3.25Å; L140-E144 HydrophobicContact CB-CB 3.99Å; L140-E144 HydrophobicContact CD2-CB 4.37Å; S141-E144 VanDerWaalsContact CB-OE2 3.32Å; S141-E144 WeakPolarHBondContact CB-OE2 3.15Å; S141-E144 PolarHBondContact N-OE2 2.76Å; S141-E144 PolarHBondContact O-N 3.36Å; S141-E144 VanDerWaalsContact O-N 3.07Å; S141-E144 WeakPolarHBondContact OG-CG 3.04Å; S141-E144 PolarHBondContact OG-OE2 2.81Å; E144-A147 PolarHBondContact O-N 2.94Å; E144-A148 WeakPolarHBondContact O-CB 3.05Å; E144-A148 PolarHBondContact O-N 3.34Å; E144-W168 HydrophobicContact CG-CH2 4.28Å; E144-W168 HydrophobicContact CG-CZ3 3.94Å; E144-F172 HydrophobicContact CB-CD2 4.06Å; E144-F172 HydrophobicContact CB-CE1 4.24Å; E144-F172 HydrophobicContact CB-CE2 3.79Å; E144-F172 HydrophobicContact CB-CG 4.41Å; E144-F172 HydrophobicContact CB-CZ 3.87Å; E144-F172 HydrophobicContact CG-CD1 4.42Å; E144-F172 HydrophobicContact CG-CD2 3.64Å; E144-F172 HydrophobicContact CG-CE2 3.9Å; E144-F172 HydrophobicContact CG-CG 3.93Å; E144-F172 HydrophobicContact CG-CZ 4.37Å; E144-F172 WeakPolarHBondContact OE1-CD2 3.42Å
145	A	97.8	Very high	94.1	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-48.8	175.8	0	0	0	0	0	111.8	L75 V99 L123 L140 S141 V143 A147 A148 S149	L75-A145 HydrophobicContact CD1-CB 3.98Å; L75-A145 WeakPolarHBondContact CD1-O 3.15Å; V99-A145 HydrophobicContact CG1-CB 4.07Å; L123-A145 HydrophobicContact CD1-CB 3.79Å; L140-A145 HydrophobicContact CB-CB 4.47Å; S141-A145 PolarHBondContact O-N 2.9Å; V143-A145 VanDerWaalsContact C-N 3.35Å; A145-A147 PolarHBondContact O-N 3.49Å; A145-A148 PolarHBondContact O-N 3Å; A145-S149 PolarHBondContact O-N 3.15Å; A145-S149 PolarHBondContact O-OG 3.1Å
146	L	98.2	Very high	94.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-47.6	175.3	-74.3	171.8	0	0	0	111.7	T37 L55 T61 I97 V99 C142 V143 S149 L150 L162	T37-L146 HydrophobicContact CG2-CD2 4.24Å; L55-L146 HydrophobicContact CD1-CD1 3.83Å; T61-L146 HydrophobicContact CG2-CD1 4.4Å; I97-L146 HydrophobicContact CB-CD2 4.25Å; I97-L146 HydrophobicContact CG2-CD2 3.84Å; V99-L146 HydrophobicContact CG1-CD2 3.79Å; V99-L146 HydrophobicContact CG1-CG 3.71Å; V99-L146 HydrophobicContact CG2-CD1 4.14Å; V99-L146 HydrophobicContact CG2-CD2 4.39Å; V99-L146 HydrophobicContact CG2-CG 4.15Å; C142-L146 WeakPolarHBondContact O-CG 3.47Å; C142-L146 PolarHBondContact O-N 3.13Å; V143-L146 PolarHBondContact O-N 3.49Å; L146-S149 PolarHBondContact O-N 3.43Å; L146-L150 WeakPolarHBondContact O-CG 3.12Å; L146-L150 PolarHBondContact O-N 3.18Å; L146-L162 HydrophobicContact CB-CD1 3.91Å
147	A	98.3	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-40.8	-179.6	0	0	0	0	0	112	V143 E144 A145 L150 Y151 A159 L163	V143-A147 VanDerWaalsContact O-CB 3.25Å; V143-A147 WeakPolarHBondContact O-CB 3.32Å; V143-A147 PolarHBondContact O-N 3.46Å; E144-A147 PolarHBondContact O-N 2.94Å; A145-A147 PolarHBondContact O-N 3.49Å; A147-L150 PolarHBondContact O-N 2.83Å; A147-Y151 VanDerWaalsContact O-CB 3.31Å; A147-Y151 WeakPolarHBondContact O-CB 3.4Å; A147-Y151 PolarHBondContact O-N 2.86Å; A147-A159 HydrophobicContact CB-CB 4.2Å; A147-A159 VanDerWaalsContact O-CB 3.25Å; A147-A159 WeakPolarHBondContact O-CB 3.41Å; A147-L163 HydrophobicContact CB-CD1 3.75Å; A147-L163 HydrophobicContact CB-CD2 3.93Å; A147-L163 HydrophobicContact CB-CG 3.63Å
148	A	98.2	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-46.7	175.4	0	0	0	0	0	112	L123 L126 L140 E144 A145 Y151 I152 F172 L180	L123-A148 HydrophobicContact CD1-CB 3.96Å; L123-A148 HydrophobicContact CD2-CB 4.05Å; L126-A148 HydrophobicContact CD1-CB 3.41Å; L126-A148 VanDerWaalsContact CD1-CB 3.41Å; L140-A148 HydrophobicContact CD1-CB 4.45Å; E144-A148 WeakPolarHBondContact O-CB 3.05Å; E144-A148 PolarHBondContact O-N 3.34Å; A145-A148 PolarHBondContact O-N 3Å; A148-Y151 PolarHBondContact O-N 3.02Å; A148-I152 VanDerWaalsContact O-CG1 3.24Å; A148-I152 WeakPolarHBondContact O-CG1 3.3Å; A148-I152 PolarHBondContact O-N 3.31Å; A148-F172 HydrophobicContact CB-CE1 4.06Å; A148-F172 HydrophobicContact CB-CZ 4.14Å; A148-L180 HydrophobicContact CB-CD2 4.41Å
149	S	97.9	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-44.4	177.8	-66.9	0	0	0	0	112.4	L75 L123 A145 L146 Y151 I152 L153	L75-S149 WeakPolarHBondContact CD1-OG 3.19Å; L75-S149 WeakPolarHBondContact CD2-OG 3.23Å; L123-S149 WeakPolarHBondContact CD2-OG 3.4Å; A145-S149 PolarHBondContact O-N 3.15Å; A145-S149 PolarHBondContact O-OG 3.1Å; L146-S149 PolarHBondContact O-N 3.43Å; S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 3.44Å; S149-I152 PolarHBondContact O-N 3.22Å; S149-L153 WeakPolarHBondContact O-CB 3.48Å; S149-L153 VanDerWaalsContact O-CG 3.24Å; S149-L153 WeakPolarHBondContact O-CG 3.08Å; S149-L153 PolarHBondContact O-N 3.25Å
150	L	98	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-46	174.4	-73.9	167.1	0	0	0	110.8	I35 T37 M92 I97 L146 A147 L153 G154 E155 Q158 A159 L162	I35-L150 HydrophobicContact CB-CD2 3.88Å; I35-L150 HydrophobicContact CG1-CD2 4Å; I35-L150 HydrophobicContact CG2-CD2 4.08Å; T37-L150 HydrophobicContact CG2-CD1 4.44Å; M92-L150 HydrophobicContact SD-CD2 4.19Å; I97-L150 HydrophobicContact CD1-CD2 3.88Å; I97-L150 HydrophobicContact CD1-CG 4.06Å; L146-L150 WeakPolarHBondContact O-CG 3.12Å; L146-L150 PolarHBondContact O-N 3.18Å; A147-L150 PolarHBondContact O-N 2.83Å; L150-L153 PolarHBondContact O-N 3.25Å; L150-G154 PolarHBondContact O-N 3.02Å; L150-G154 VanDerWaalsContact O-N 3.16Å; L150-E155 HydrophobicContact CB-CB 4.06Å; L150-E155 HydrophobicContact CD2-CB 3.78Å; L150-E155 HydrophobicContact CD2-CG 4.33Å; L150-E155 WeakPolarHBondContact O-CA 3.39Å; L150-E155 PolarHBondContact O-N 2.96Å; L150-Q158 HydrophobicContact CD1-CB 4.19Å; L150-Q158 HydrophobicContact CD1-CG 3.91Å; L150-A159 HydrophobicContact CB-CB 3.91Å; L150-L162 HydrophobicContact CD1-CD1 3.54Å; L150-L162 HydrophobicContact CD1-CG 4.47Å
151	Y	98.1	Very high	97.3	Very high	32 Å²	32	24.1 Å²	24.1	13%	0.125	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-50.7	179.4	-164.5	-73.1	0	0	0	111.7	A147 A148 S149 L153 G154 H156 L173 L180 A184	A147-Y151 VanDerWaalsContact O-CB 3.31Å; A147-Y151 WeakPolarHBondContact O-CB 3.4Å; A147-Y151 PolarHBondContact O-N 2.86Å; A148-Y151 PolarHBondContact O-N 3.02Å; S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 3.44Å; Y151-L153 PolarHBondContact O-N 3.38Å; Y151-G154 PolarHBondContact O-N 3.16Å; Y151-H156 HydrophobicContact CD2-CB 4.43Å; Y151-H156 HydrophobicContact CE2-CB 4.46Å; Y151-H156 PolarHBondContact O-CD2 2.87Å; Y151-H156 VanDerWaalsContact O-CD2 3.23Å; Y151-H156 PolarHBondContact O-NE2 3.25Å; Y151-L173 HydrophobicContact CD2-CD2 3.79Å; Y151-L173 HydrophobicContact CE2-CD2 4.11Å; Y151-L180 HydrophobicContact CD1-CB 3.68Å; Y151-L180 HydrophobicContact CD1-CD2 4.18Å; Y151-L180 HydrophobicContact CD1-CG 4.34Å; Y151-L180 HydrophobicContact CE1-CB 3.61Å; Y151-L180 HydrophobicContact CG-CB 4.35Å; Y151-L180 HydrophobicContact CG-CD1 4.4Å; Y151-L180 HydrophobicContact CG-CD2 4.31Å; Y151-A184 HydrophobicContact CD1-CB 4.4Å; Y151-A184 HydrophobicContact CE1-CB 4.34Å
152	I	97.9	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-32.1	-178.6	-64.9	167.3	0	0	0	111.4	L83 P85 L123 P124 A148 S149 G154 L180 Y183 I192	L83-I152 HydrophobicContact CD2-CB 3.82Å; L83-I152 HydrophobicContact CD2-CG2 3.4Å; L83-I152 VanDerWaalsContact CD2-CG2 3.4Å; P85-I152 HydrophobicContact CG-CG2 4.05Å; L123-I152 HydrophobicContact CD2-CD1 4.13Å; P124-I152 HydrophobicContact CG-CD1 3.83Å; A148-I152 VanDerWaalsContact O-CG1 3.24Å; A148-I152 WeakPolarHBondContact O-CG1 3.3Å; A148-I152 PolarHBondContact O-N 3.31Å; S149-I152 PolarHBondContact O-N 3.22Å; I152-G154 VanDerWaalsContact C-N 3.32Å; I152-L180 HydrophobicContact CG1-CD2 4.27Å; I152-Y183 HydrophobicContact CD1-CD2 4.14Å; I152-I192 HydrophobicContact CG2-CD1 4.09Å
153	L	97.5	Very high	97.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.3	178	-60.4	176.3	0	0	0	114	I73 L83 P85 D88 R89 M92 I97 S149 L150 Y151	I73-L153 HydrophobicContact CD1-CD1 3.59Å; L83-L153 HydrophobicContact CD1-CD1 4.44Å; L83-L153 HydrophobicContact CD2-CD1 4.37Å; L83-L153 HydrophobicContact CD2-CD2 3.62Å; L83-L153 HydrophobicContact CD2-CG 3.81Å; L83-L153 HydrophobicContact CG-CD2 4.22Å; P85-L153 HydrophobicContact CB-CD2 4.35Å; P85-L153 HydrophobicContact CG-CD2 4.45Å; D88-L153 HydrophobicContact CB-CD1 4.35Å; D88-L153 HydrophobicContact CB-CD2 3.82Å; R89-L153 HydrophobicContact CG-CB 4.27Å; R89-L153 HydrophobicContact CG-CD2 4.14Å; R89-L153 PolarHBondContact NH1-O 2.83Å; M92-L153 HydrophobicContact CB-CD1 3.93Å; M92-L153 HydrophobicContact CE-CB 3.79Å; M92-L153 HydrophobicContact CE-CD1 4.49Å; M92-L153 HydrophobicContact CG-CD1 4.2Å; M92-L153 HydrophobicContact SD-CB 3.6Å; M92-L153 VanDerWaalsContact SD-CB 3.6Å; M92-L153 HydrophobicContact SD-CD1 3.54Å; M92-L153 VanDerWaalsContact SD-CD1 3.54Å; M92-L153 HydrophobicContact SD-CG 4.2Å; I97-L153 HydrophobicContact CD1-CD1 4.27Å; S149-L153 WeakPolarHBondContact O-CB 3.48Å; S149-L153 VanDerWaalsContact O-CG 3.24Å; S149-L153 WeakPolarHBondContact O-CG 3.08Å; S149-L153 PolarHBondContact O-N 3.25Å; L150-L153 PolarHBondContact O-N 3.25Å; Y151-L153 PolarHBondContact O-N 3.38Å
154	G	96.3	Very high	97.4	Very high	32 Å²	32	27.5 Å²	27.5	33%	0.33	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	1.4	173.4	0	0	0	0	0	116	L150 Y151 I152 H156	L150-G154 PolarHBondContact O-N 3.02Å; L150-G154 VanDerWaalsContact O-N 3.16Å; Y151-G154 PolarHBondContact O-N 3.16Å; I152-G154 VanDerWaalsContact C-N 3.32Å; G154-H156 VanDerWaalsContact C-N 3.28Å; G154-H156 PolarHBondContact O-N 3.46Å; G154-H156 VanDerWaalsContact O-N 3.16Å
155	E	96.7	Very high	97.3	Very high	48 Å²	48	31.3 Å²	31.3	22%	0.224	17%	0.166	C	C	.	.			trans	-90.9	54.9	-179.9	-67.4	-67.8	167.4	0	0	111.8	I35 M92 H93 L150 N157 Q158 A159	I35-E155 HydrophobicContact CD1-CG 4.35Å; I35-E155 HydrophobicContact CG1-CG 3.76Å; M92-E155 HydrophobicContact CE-CG 3.51Å; M92-E155 HydrophobicContact SD-CG 4.05Å; H93-E155 IonicContact CE1-OE1 3.27Å; H93-E155 PolarHBondContact CE1-OE1 2.86Å; L150-E155 HydrophobicContact CB-CB 4.06Å; L150-E155 HydrophobicContact CD2-CB 3.78Å; L150-E155 HydrophobicContact CD2-CG 4.33Å; L150-E155 WeakPolarHBondContact O-CA 3.39Å; L150-E155 PolarHBondContact O-N 2.96Å; E155-N157 VanDerWaalsContact C-N 3.33Å; E155-N157 PolarHBondContact O-N 3.02Å; E155-Q158 PolarHBondContact O-N 2.91Å; E155-A159 PolarHBondContact O-N 2.81Å
156	H	96.1	Very high	97.2	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.347	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-41.2	-171.3	-57.8	175.3	0	0	0	112.3	Y151 G154 Q158 A159 T160	Y151-H156 HydrophobicContact CD2-CB 4.43Å; Y151-H156 HydrophobicContact CE2-CB 4.46Å; Y151-H156 PolarHBondContact O-CD2 2.87Å; Y151-H156 VanDerWaalsContact O-CD2 3.23Å; Y151-H156 PolarHBondContact O-NE2 3.25Å; G154-H156 VanDerWaalsContact C-N 3.28Å; G154-H156 PolarHBondContact O-N 3.46Å; G154-H156 VanDerWaalsContact O-N 3.16Å; H156-Q158 PolarHBondContact O-N 2.72Å; H156-A159 WeakPolarHBondContact O-CB 3.47Å; H156-A159 PolarHBondContact O-N 2.83Å; H156-T160 PolarHBondContact O-N 3.45Å; H156-T160 PolarHBondContact O-OG1 3.13Å
157	N	96.8	Very high	96.9	Very high	142 Å²	142	36.7 Å²	36.7	76%	0.759	20%	0.201	S	C	*	.	H	α-helix	trans	-62.2	-43.2	-178.8	-70	-22.1	0	0	0	111.8	E155 T160 E161	E155-N157 VanDerWaalsContact C-N 3.33Å; E155-N157 PolarHBondContact O-N 3.02Å; N157-T160 PolarHBondContact O-N 3.38Å; N157-E161 WeakPolarHBondContact O-CB 3.45Å; N157-E161 PolarHBondContact O-N 2.79Å
158	Q	97.4	Very high	96.6	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-71.5	-35.7	178.5	-167.1	174.5	-0.2	0	0	111.5	I35 L150 E155 H156 E161 L162	I35-Q158 VanDerWaalsContact CB-OE1 3.27Å; I35-Q158 PolarHBondContact O-NE2 2.91Å; L150-Q158 HydrophobicContact CD1-CB 4.19Å; L150-Q158 HydrophobicContact CD1-CG 3.91Å; E155-Q158 PolarHBondContact O-N 2.91Å; H156-Q158 PolarHBondContact O-N 2.72Å; Q158-E161 PolarHBondContact O-N 2.83Å; Q158-L162 WeakPolarHBondContact O-CG 3.47Å; Q158-L162 PolarHBondContact O-N 3.15Å
159	A	97.7	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-48.8	172.3	0	0	0	0	0	111.5	A147 L150 E155 H156 L162 L163	A147-A159 HydrophobicContact CB-CB 4.2Å; A147-A159 VanDerWaalsContact O-CB 3.25Å; A147-A159 WeakPolarHBondContact O-CB 3.41Å; L150-A159 HydrophobicContact CB-CB 3.91Å; E155-A159 PolarHBondContact O-N 2.81Å; H156-A159 WeakPolarHBondContact O-CB 3.47Å; H156-A159 PolarHBondContact O-N 2.83Å; A159-L162 PolarHBondContact O-N 3.46Å; A159-L163 WeakPolarHBondContact O-CG 3.05Å; A159-L163 PolarHBondContact O-N 3.45Å
160	T	97.4	Very high	96	Very high	48 Å²	48	44 Å²	44	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-40.8	176.5	-59.6	0	0	0	0	111.9	H156 N157 L162 L163 N164 L173	H156-T160 PolarHBondContact O-N 3.45Å; H156-T160 PolarHBondContact O-OG1 3.13Å; N157-T160 PolarHBondContact O-N 3.38Å; T160-L162 VanDerWaalsContact C-N 3.35Å; T160-L162 PolarHBondContact O-N 2.98Å; T160-L163 PolarHBondContact O-N 3.24Å; T160-N164 WeakPolarHBondContact O-CB 3.33Å; T160-N164 PolarHBondContact O-N 3.4Å; T160-N164 PolarHBondContact O-ND2 2.97Å; T160-L173 WeakPolarHBondContact OG1-CD1 3.41Å
161	E	96.9	Very high	95.8	Very high	61 Å²	61	47 Å²	47	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-43.2	177.5	-172.3	-174.9	173.1	0	0	112.4	K34 N157 Q158 K165	K34-E161 WeakPolarHBondContact CE-OE2 3.25Å; K34-E161 IonicContact NZ-OE1 2.74Å; K34-E161 PolarHBondContact NZ-OE1 3.37Å; K34-E161 IonicContact NZ-OE2 3.29Å; K34-E161 PolarHBondContact NZ-OE2 3.29Å; N157-E161 WeakPolarHBondContact O-CB 3.45Å; N157-E161 PolarHBondContact O-N 2.79Å; Q158-E161 PolarHBondContact O-N 2.83Å; E161-K165 VanDerWaalsContact O-CE 3.31Å; E161-K165 WeakPolarHBondContact O-CE 3.21Å
162	L	97.2	Very high	95.8	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-46	176.9	-70.7	-179	0	0	0	111.6	T37 L55 M60 V143 L146 L150 Q158 A159 T160 K165	T37-L162 HydrophobicContact CG2-CD1 4.43Å; L55-L162 HydrophobicContact CD1-CD2 4.38Å; L55-L162 HydrophobicContact CD2-CD2 3.93Å; M60-L162 HydrophobicContact CB-CD2 4.1Å; M60-L162 HydrophobicContact SD-CD2 4.4Å; V143-L162 HydrophobicContact CG2-CB 4.15Å; L146-L162 HydrophobicContact CB-CD1 3.91Å; L150-L162 HydrophobicContact CD1-CD1 3.54Å; L150-L162 HydrophobicContact CD1-CG 4.47Å; Q158-L162 WeakPolarHBondContact O-CG 3.47Å; Q158-L162 PolarHBondContact O-N 3.15Å; A159-L162 PolarHBondContact O-N 3.46Å; T160-L162 VanDerWaalsContact C-N 3.35Å; T160-L162 PolarHBondContact O-N 2.98Å; L162-K165 PolarHBondContact O-N 3.04Å
163	L	97.5	Very high	95.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-36.9	-177.5	-70.6	169.1	0	0	0	112.3	V143 A147 A159 T160 K165 F166 G169 F172 L173	V143-L163 HydrophobicContact CG2-CD2 4.29Å; A147-L163 HydrophobicContact CB-CD1 3.75Å; A147-L163 HydrophobicContact CB-CD2 3.93Å; A147-L163 HydrophobicContact CB-CG 3.63Å; A159-L163 WeakPolarHBondContact O-CG 3.05Å; A159-L163 PolarHBondContact O-N 3.45Å; T160-L163 PolarHBondContact O-N 3.24Å; L163-K165 PolarHBondContact O-N 3.26Å; L163-F166 PolarHBondContact O-N 2.78Å; L163-G169 WeakPolarHBondContact O-CA 3.3Å; L163-F172 HydrophobicContact CD1-CB 4.18Å; L163-F172 HydrophobicContact CD1-CD1 3.9Å; L163-F172 HydrophobicContact CD2-CB 3.96Å; L163-F172 HydrophobicContact CD2-CD1 4.11Å; L163-F172 HydrophobicContact CD2-CG 4.28Å; L163-L173 HydrophobicContact CD1-CD1 4.03Å; L163-L173 HydrophobicContact CD1-CD2 3.7Å; L163-L173 HydrophobicContact CD1-CG 3.55Å
164	N	96.6	Very high	95.6	Very high	103 Å²	103	51.1 Å²	51.1	55%	0.551	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.3	179	-75.2	-9.4	0	0	0	114.1	T160 F166	T160-N164 WeakPolarHBondContact O-CB 3.33Å; T160-N164 PolarHBondContact O-N 3.4Å; T160-N164 PolarHBondContact O-ND2 2.97Å; N164-F166 PolarHBondContact O-N 2.86Å
165	K	95.8	Very high	95.4	Very high	80 Å²	80	52 Å²	52	35%	0.348	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.1	171.5	-50.9	-57.6	158.3	172.1	0	113.3	K54 L58 M60 E161 L162 L163	K54-K165 WeakPolarHBondContact CE-O 3.43Å; K54-K165 PolarHBondContact NZ-O 3.04Å; L58-K165 HydrophobicContact CD1-CB 3.78Å; L58-K165 HydrophobicContact CD1-CD 4.21Å; L58-K165 HydrophobicContact CD1-CG 3.89Å; M60-K165 HydrophobicContact CE-CD 3.73Å; M60-K165 HydrophobicContact CE-CG 4.08Å; M60-K165 HydrophobicContact SD-CD 4.09Å; M60-K165 HydrophobicContact SD-CG 3.73Å; E161-K165 VanDerWaalsContact O-CE 3.31Å; E161-K165 WeakPolarHBondContact O-CE 3.21Å; L162-K165 PolarHBondContact O-N 3.04Å; L163-K165 PolarHBondContact O-N 3.26Å
166	F	95.3	Very high	95.3	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.066	26%	0.261	C	S	.	.	S	Bend	trans	-123.3	130.8	-178.8	-59.3	-100	0	0	0	108.4	K54 L55 V143 L163 N164 W168 G169	K54-F166 HydrophobicContact CB-CE1 4.35Å; K54-F166 HydrophobicContact CB-CZ 4.17Å; K54-F166 HydrophobicContact CD-CD1 4.28Å; K54-F166 HydrophobicContact CD-CE1 3.67Å; K54-F166 HydrophobicContact CD-CZ 3.92Å; K54-F166 HydrophobicContact CG-CE1 4.42Å; K54-F166 HydrophobicContact CG-CZ 4.25Å; L55-F166 HydrophobicContact CD2-CE2 3.93Å; L55-F166 HydrophobicContact CD2-CZ 4.37Å; L55-F166 HydrophobicContact CG-CE2 4.42Å; L55-F166 HydrophobicContact CG-CZ 4.43Å; V143-F166 HydrophobicContact CB-CE2 3.88Å; V143-F166 HydrophobicContact CB-CZ 4.08Å; V143-F166 HydrophobicContact CG1-CD2 4.23Å; V143-F166 HydrophobicContact CG1-CE1 4.33Å; V143-F166 HydrophobicContact CG1-CE2 3.95Å; V143-F166 HydrophobicContact CG1-CZ 3.99Å; V143-F166 HydrophobicContact CG2-CD2 3.98Å; V143-F166 HydrophobicContact CG2-CE2 3.56Å; V143-F166 HydrophobicContact CG2-CZ 4.26Å; L163-F166 PolarHBondContact O-N 2.78Å; N164-F166 PolarHBondContact O-N 2.86Å; F166-W168 HydrophobicContact CB-CD2 4.13Å; F166-W168 HydrophobicContact CB-CZ2 4.04Å; F166-W168 AromaticContact CD1-CE2 3.98Å; F166-W168 HydrophobicContact CD1-CH2 4.35Å; F166-W168 AromaticContact CD1-CZ2 3.59Å; F166-W168 HydrophobicContact CD1-CZ2 3.59Å; F166-W168 HydrophobicContact CE1-CZ2 4.32Å; F166-W168 HydrophobicContact CG-CH2 4.46Å; F166-W168 AromaticContact CG-CZ2 3.99Å; F166-W168 HydrophobicContact CG-CZ2 3.99Å; F166-W168 PolarHBondContact O-N 2.59Å; F166-W168 VanDerWaalsContact O-N 3.15Å; F166-G169 PolarHBondContact O-N 2.88Å
167	S	91.4	Very high	95.3	Very high	111 Å²	111	51.1 Å²	51.1	78%	0.776	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.3	-177.7	51	0	0	0	0	112.8	H170	S167-H170 PolarHBondContact O-CE1 3.22Å; S167-H170 PolarHBondContact O-ND1 3.13Å
168	W	92.1	Very high	95.3	Very high	50 Å²	50	51 Å²	51	19%	0.189	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-7	176	53.2	-97.3	0	0	0	113.9	N130 P131 V143 E144 F166 H170 Q171	N130-W168 HydrophobicContact CB-CD2 4.47Å; N130-W168 HydrophobicContact CB-CE3 4.15Å; N130-W168 HydrophobicContact CB-CH2 3.43Å; N130-W168 VanDerWaalsContact CB-CH2 3.43Å; N130-W168 HydrophobicContact CB-CZ2 3.76Å; N130-W168 HydrophobicContact CB-CZ3 3.64Å; P131-W168 VanDerWaalsContact CD-CD1 3.46Å; P131-W168 VanDerWaalsContact CD-CE2 3.47Å; P131-W168 VanDerWaalsContact CD-NE1 3.35Å; P131-W168 HydrophobicContact CG-CD2 4.45Å; P131-W168 HydrophobicContact CG-CG 3.95Å; V143-W168 HydrophobicContact CG1-CH2 3.75Å; V143-W168 HydrophobicContact CG1-CZ2 4.47Å; E144-W168 HydrophobicContact CG-CH2 4.28Å; E144-W168 HydrophobicContact CG-CZ3 3.94Å; F166-W168 HydrophobicContact CB-CD2 4.13Å; F166-W168 HydrophobicContact CB-CZ2 4.04Å; F166-W168 AromaticContact CD1-CE2 3.98Å; F166-W168 HydrophobicContact CD1-CH2 4.35Å; F166-W168 AromaticContact CD1-CZ2 3.59Å; F166-W168 HydrophobicContact CD1-CZ2 3.59Å; F166-W168 HydrophobicContact CE1-CZ2 4.32Å; F166-W168 HydrophobicContact CG-CH2 4.46Å; F166-W168 AromaticContact CG-CZ2 3.99Å; F166-W168 HydrophobicContact CG-CZ2 3.99Å; F166-W168 PolarHBondContact O-N 2.59Å; F166-W168 VanDerWaalsContact O-N 3.15Å; W168-H170 VanDerWaalsContact C-N 3.33Å; W168-H170 PolarHBondContact O-N 3.17Å; W168-Q171 VanDerWaalsContact O-CB 3.25Å; W168-Q171 WeakPolarHBondContact O-CB 3.4Å; W168-Q171 PolarHBondContact O-N 3.02Å; W168-Q171 VanDerWaalsContact O-N 3.11Å
169	G	92.9	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.9	-167	0	0	0	0	0	114.1	L163 F166 Q171 F172	L163-G169 WeakPolarHBondContact O-CA 3.3Å; F166-G169 PolarHBondContact O-N 2.88Å; G169-Q171 PolarHBondContact O-N 3.04Å; G169-F172 VanDerWaalsContact O-CB 3.27Å; G169-F172 WeakPolarHBondContact O-CB 3.45Å; G169-F172 PolarHBondContact O-N 2.99Å
170	H	91.3	Very high	95.2	Very high	104 Å²	104	52.1 Å²	52.1	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-35.2	175.6	64.1	-84.8	0	0	0	112.1	S167 W168 F172 L173 T174	S167-H170 PolarHBondContact O-CE1 3.22Å; S167-H170 PolarHBondContact O-ND1 3.13Å; W168-H170 VanDerWaalsContact C-N 3.33Å; W168-H170 PolarHBondContact O-N 3.17Å; H170-F172 PolarHBondContact O-N 3.4Å; H170-F172 VanDerWaalsContact O-N 3.14Å; H170-L173 PolarHBondContact O-N 3.2Å; H170-T174 PolarHBondContact O-N 3.39Å; H170-T174 PolarHBondContact O-OG1 3.25Å
171	Q	92.9	Very high	95.2	Very high	62 Å²	62	53.4 Å²	53.4	29%	0.29	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-23.9	178.8	-168.6	60.7	23.4	0	0	112.2	Y134 W168 G169 T174 L175	Y134-Q171 HydrophobicContact CE2-CG 4.4Å; W168-Q171 VanDerWaalsContact O-CB 3.25Å; W168-Q171 WeakPolarHBondContact O-CB 3.4Å; W168-Q171 PolarHBondContact O-N 3.02Å; W168-Q171 VanDerWaalsContact O-N 3.11Å; G169-Q171 PolarHBondContact O-N 3.04Å; Q171-T174 PolarHBondContact O-N 2.85Å; Q171-L175 WeakPolarHBondContact O-CB 3.45Å; Q171-L175 PolarHBondContact O-N 2.89Å
172	F	97.5	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-45.6	177.7	-173.3	-113.1	0	0	0	112.7	L126 S129 L140 E144 A148 L163 G169 H170 N176	L126-F172 HydrophobicContact CB-CZ 4.49Å; L126-F172 HydrophobicContact CD1-CZ 4.21Å; S129-F172 WeakPolarHBondContact OG-CA 3.42Å; S129-F172 WeakPolarHBondContact OG-CB 3.28Å; S129-F172 PolarHBondContact OG-N 3.39Å; L140-F172 HydrophobicContact CD1-CZ 4.18Å; L140-F172 HydrophobicContact CD2-CE2 3.68Å; L140-F172 HydrophobicContact CD2-CZ 4.11Å; E144-F172 HydrophobicContact CB-CD2 4.06Å; E144-F172 HydrophobicContact CB-CE1 4.24Å; E144-F172 HydrophobicContact CB-CE2 3.79Å; E144-F172 HydrophobicContact CB-CG 4.41Å; E144-F172 HydrophobicContact CB-CZ 3.87Å; E144-F172 HydrophobicContact CG-CD1 4.42Å; E144-F172 HydrophobicContact CG-CD2 3.64Å; E144-F172 HydrophobicContact CG-CE2 3.9Å; E144-F172 HydrophobicContact CG-CG 3.93Å; E144-F172 HydrophobicContact CG-CZ 4.37Å; E144-F172 WeakPolarHBondContact OE1-CD2 3.42Å; A148-F172 HydrophobicContact CB-CE1 4.06Å; A148-F172 HydrophobicContact CB-CZ 4.14Å; L163-F172 HydrophobicContact CD1-CB 4.18Å; L163-F172 HydrophobicContact CD1-CD1 3.9Å; L163-F172 HydrophobicContact CD2-CB 3.96Å; L163-F172 HydrophobicContact CD2-CD1 4.11Å; L163-F172 HydrophobicContact CD2-CG 4.28Å; G169-F172 VanDerWaalsContact O-CB 3.27Å; G169-F172 WeakPolarHBondContact O-CB 3.45Å; G169-F172 PolarHBondContact O-N 2.99Å; H170-F172 PolarHBondContact O-N 3.4Å; H170-F172 VanDerWaalsContact O-N 3.14Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.4Å; F172-N176 WeakPolarHBondContact O-CB 3.38Å; F172-N176 PolarHBondContact O-N 3.38Å; F172-N176 PolarHBondContact O-ND2 3.41Å
173	L	96.7	Very high	95.2	Very high	33 Å²	33	52.2 Å²	52.2	17%	0.173	27%	0.267	C	S	.	.	H	α-helix	trans	-69.2	-43.8	179.2	-62.8	-180	0	0	0	110.3	Y151 T160 L163 H170 N176 E177 L180	Y151-L173 HydrophobicContact CD2-CD2 3.79Å; Y151-L173 HydrophobicContact CE2-CD2 4.11Å; T160-L173 WeakPolarHBondContact OG1-CD1 3.41Å; L163-L173 HydrophobicContact CD1-CD1 4.03Å; L163-L173 HydrophobicContact CD1-CD2 3.7Å; L163-L173 HydrophobicContact CD1-CG 3.55Å; H170-L173 PolarHBondContact O-N 3.2Å; L173-N176 CarbonylContact O-C 3.14Å; L173-N176 PolarHBondContact O-N 3.3Å; L173-E177 VanDerWaalsContact O-CA 3.22Å; L173-E177 WeakPolarHBondContact O-CA 3.47Å; L173-E177 WeakPolarHBondContact O-CB 3.1Å; L173-E177 PolarHBondContact O-N 3.38Å; L173-L180 HydrophobicContact CD2-CD1 3.72Å
174	T	94.5	Very high	95.1	Very high	87 Å²	87	53.2 Å²	53.2	53%	0.534	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-48.6	177.4	-53.3	0	0	0	0	111.9	H170 Q171 N176 E177	H170-T174 PolarHBondContact O-N 3.39Å; H170-T174 PolarHBondContact O-OG1 3.25Å; Q171-T174 PolarHBondContact O-N 2.85Å; T174-N176 PolarHBondContact O-N 3.04Å; T174-E177 PolarHBondContact O-N 3.05Å
175	L	92	Very high	95.2	Very high	50 Å²	50	56.2 Å²	56.2	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-27.8	-178.5	-179.3	61.5	0	0	0	113.1	I127 Y134 Q171 R179	I127-L175 HydrophobicContact CB-CD2 4Å; I127-L175 HydrophobicContact CB-CG 4.19Å; I127-L175 HydrophobicContact CG2-CD2 3.72Å; I127-L175 HydrophobicContact CG2-CG 4.26Å; Y134-L175 HydrophobicContact CE2-CD2 4.42Å; Q171-L175 WeakPolarHBondContact O-CB 3.45Å; Q171-L175 PolarHBondContact O-N 2.89Å; L175-R179 PolarHBondContact O-NH1 3.19Å
176	N	96.1	Very high	95.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	14.9	-176.7	-65.8	-72	0	0	0	113.7	L126 I127 F172 L173 T174 Q178 R179 L180	L126-N176 HydrophobicContact CD2-CB 3.72Å; I127-N176 PolarHBondContact N-OD1 3.28Å; I127-N176 PolarHBondContact O-ND2 3.27Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.4Å; F172-N176 WeakPolarHBondContact O-CB 3.38Å; F172-N176 PolarHBondContact O-N 3.38Å; F172-N176 PolarHBondContact O-ND2 3.41Å; L173-N176 CarbonylContact O-C 3.14Å; L173-N176 PolarHBondContact O-N 3.3Å; T174-N176 PolarHBondContact O-N 3.04Å; N176-Q178 PolarHBondContact O-N 3.25Å; N176-R179 PolarHBondContact O-N 3Å; N176-R179 PolarHBondContact OD1-NH1 3.49Å; N176-L180 HydrophobicContact CB-CD1 3.9Å; N176-L180 HydrophobicContact CB-CG 3.95Å; N176-L180 WeakPolarHBondContact O-CB 3.29Å; N176-L180 PolarHBondContact O-N 3.19Å
177	E	96.3	Very high	95.2	Very high	104 Å²	104	54.2 Å²	54.2	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-52.2	-53.3	-170.1	179.8	174.9	-149.7	0	0	111.9	L173 T174 R179 L180 Q181	L173-E177 VanDerWaalsContact O-CA 3.22Å; L173-E177 WeakPolarHBondContact O-CA 3.47Å; L173-E177 WeakPolarHBondContact O-CB 3.1Å; L173-E177 PolarHBondContact O-N 3.38Å; T174-E177 PolarHBondContact O-N 3.05Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 2.82Å; E177-L180 PolarHBondContact O-N 3.4Å; E177-Q181 HydrophobicContact CG-CG 4.49Å; E177-Q181 WeakPolarHBondContact O-CB 3.47Å; E177-Q181 VanDerWaalsContact O-CG 3.27Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 2.94Å; E177-Q181 PolarHBondContact OE1-NE2 3.5Å
178	Q	95.4	Very high	95.3	Very high	138 Å²	138	51 Å²	51	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-60.2	-41.9	178.9	-67	-174.8	-9.5	0	0	112.4	N176 S182 F199	N176-Q178 PolarHBondContact O-N 3.25Å; Q178-S182 WeakPolarHBondContact O-CB 3.47Å; Q178-S182 PolarHBondContact O-N 2.94Å; Q178-S182 PolarHBondContact O-OG 3.42Å; Q178-S182 VanDerWaalsContact O-OG 3.09Å; Q178-F199 HydrophobicContact CB-CE1 4.43Å
179	R	96.1	Very high	95.1	Very high	40 Å²	40	50 Å²	50	15%	0.151	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-50.8	-179.3	-60.6	-174	-170.7	85.2	8.1	111.3	L125 L126 I127 L175 N176 E177 Q181 S182 Y183 F199	L125-R179 WeakPolarHBondContact O-CD 3.44Å; L126-R179 HydrophobicContact CD2-CB 3.86Å; I127-R179 VanDerWaalsContact CG1-NH1 3.34Å; L175-R179 PolarHBondContact O-NH1 3.19Å; N176-R179 PolarHBondContact O-N 3Å; N176-R179 PolarHBondContact OD1-NH1 3.49Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 2.82Å; R179-Q181 PolarHBondContact O-N 3.43Å; R179-S182 PolarHBondContact O-N 2.9Å; R179-Y183 HydrophobicContact CB-CD2 4.37Å; R179-Y183 HydrophobicContact CB-CE2 3.81Å; R179-Y183 WeakPolarHBondContact O-CD2 3.41Å; R179-Y183 PolarHBondContact O-N 3.23Å; R179-F199 HydrophobicContact CB-CD2 4.43Å; R179-F199 HydrophobicContact CB-CE2 4.12Å; R179-F199 HydrophobicContact CB-CZ 4.26Å; R179-F199 HydrophobicContact CG-CD1 3.9Å; R179-F199 HydrophobicContact CG-CD2 3.94Å; R179-F199 HydrophobicContact CG-CE1 3.91Å; R179-F199 HydrophobicContact CG-CE2 3.95Å; R179-F199 HydrophobicContact CG-CG 3.92Å; R179-F199 HydrophobicContact CG-CZ 3.94Å
180	L	97.5	Very high	94.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-44.9	-179.7	-74.3	172.6	0	0	0	111.4	L126 A148 Y151 I152 L173 N176 E177 Y183 A184	L126-L180 HydrophobicContact CD1-CD2 3.98Å; L126-L180 HydrophobicContact CD2-CD2 3.78Å; L126-L180 HydrophobicContact CD2-CG 3.89Å; A148-L180 HydrophobicContact CB-CD2 4.41Å; Y151-L180 HydrophobicContact CD1-CB 3.68Å; Y151-L180 HydrophobicContact CD1-CD2 4.18Å; Y151-L180 HydrophobicContact CD1-CG 4.34Å; Y151-L180 HydrophobicContact CE1-CB 3.61Å; Y151-L180 HydrophobicContact CG-CB 4.35Å; Y151-L180 HydrophobicContact CG-CD1 4.4Å; Y151-L180 HydrophobicContact CG-CD2 4.31Å; I152-L180 HydrophobicContact CG1-CD2 4.27Å; L173-L180 HydrophobicContact CD2-CD1 3.72Å; N176-L180 HydrophobicContact CB-CD1 3.9Å; N176-L180 HydrophobicContact CB-CG 3.95Å; N176-L180 WeakPolarHBondContact O-CB 3.29Å; N176-L180 PolarHBondContact O-N 3.19Å; E177-L180 PolarHBondContact O-N 3.4Å; L180-Y183 PolarHBondContact O-N 2.78Å; L180-A184 VanDerWaalsContact O-CB 3.26Å; L180-A184 WeakPolarHBondContact O-CB 3.43Å; L180-A184 PolarHBondContact O-N 3.44Å
181	Q	97.1	Very high	95.1	Very high	76 Å²	76	57.3 Å²	57.3	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-40.2	175.7	-72.5	-180	8.6	0	0	112.4	E177 R179 K185	E177-Q181 HydrophobicContact CG-CG 4.49Å; E177-Q181 WeakPolarHBondContact O-CB 3.47Å; E177-Q181 VanDerWaalsContact O-CG 3.27Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 2.94Å; E177-Q181 PolarHBondContact OE1-NE2 3.5Å; R179-Q181 PolarHBondContact O-N 3.43Å; Q181-K185 WeakPolarHBondContact O-CG 3.18Å; Q181-K185 PolarHBondContact O-N 2.84Å
182	S	96.4	Very high	95	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-46.9	175.5	-72.8	0	0	0	0	111.8	Q178 R179 A184 K185 C186	Q178-S182 WeakPolarHBondContact O-CB 3.47Å; Q178-S182 PolarHBondContact O-N 2.94Å; Q178-S182 PolarHBondContact O-OG 3.42Å; Q178-S182 VanDerWaalsContact O-OG 3.09Å; R179-S182 PolarHBondContact O-N 2.9Å; S182-A184 PolarHBondContact O-N 2.98Å; S182-K185 PolarHBondContact O-N 2.83Å; S182-C186 PolarHBondContact O-SG 2.98Å; S182-C186 VanDerWaalsContact O-SG 3.36Å
183	Y	97.4	Very high	94.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-36.1	179.9	-58.6	-35.3	0	0	0	112.8	P124 L125 L126 I152 R179 L180 K185 C186 I192 C195 Q196 F199	P124-Y183 HydrophobicContact CB-CD1 4.36Å; P124-Y183 HydrophobicContact CB-CD2 4.1Å; P124-Y183 HydrophobicContact CB-CE1 3.99Å; P124-Y183 HydrophobicContact CB-CE2 3.7Å; P124-Y183 HydrophobicContact CB-CG 4.42Å; P124-Y183 HydrophobicContact CG-CD1 4.25Å; P124-Y183 HydrophobicContact CG-CD2 3.42Å; P124-Y183 VanDerWaalsContact CG-CD2 3.42Å; P124-Y183 HydrophobicContact CG-CE1 4.3Å; P124-Y183 HydrophobicContact CG-CE2 3.48Å; P124-Y183 VanDerWaalsContact CG-CE2 3.48Å; P124-Y183 HydrophobicContact CG-CG 3.84Å; L125-Y183 VanDerWaalsContact O-CE2 3.28Å; L125-Y183 WeakPolarHBondContact O-CE2 3.18Å; L125-Y183 PolarHBondContact O-OH 3.43Å; L126-Y183 HydrophobicContact CD2-CD2 4.37Å; L126-Y183 HydrophobicContact CD2-CE2 4.02Å; L126-Y183 HydrophobicContact CG-CE2 4.3Å; I152-Y183 HydrophobicContact CD1-CD2 4.14Å; R179-Y183 HydrophobicContact CB-CD2 4.37Å; R179-Y183 HydrophobicContact CB-CE2 3.81Å; R179-Y183 WeakPolarHBondContact O-CD2 3.41Å; R179-Y183 PolarHBondContact O-N 3.23Å; L180-Y183 PolarHBondContact O-N 2.78Å; Y183-K185 PolarHBondContact O-N 2.87Å; Y183-C186 WeakPolarHBondContact O-CB 3.47Å; Y183-C186 PolarHBondContact O-N 3.4Å; Y183-C186 VanDerWaalsContact O-N 3.13Å; Y183-I192 HydrophobicContact CD1-CG2 3.99Å; Y183-I192 HydrophobicContact CE1-CG2 4.34Å; Y183-C195 HydrophobicContact CD1-CB 4.04Å; Y183-C195 HydrophobicContact CE1-CB 3.95Å; Y183-Q196 HydrophobicContact CE1-CB 4.26Å; Y183-F199 HydrophobicContact CE1-CD2 4.1Å; Y183-F199 HydrophobicContact CE1-CE2 4.04Å; Y183-F199 AromaticContact CZ-CD2 3.97Å
184	A	96.8	Very high	94	Very high	21 Å²	21	58.5 Å²	58.5	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-19.4	176.7	0	0	0	0	0	113.4	Y151 L180 S182	Y151-A184 HydrophobicContact CD1-CB 4.4Å; Y151-A184 HydrophobicContact CE1-CB 4.34Å; L180-A184 VanDerWaalsContact O-CB 3.26Å; L180-A184 WeakPolarHBondContact O-CB 3.43Å; L180-A184 PolarHBondContact O-N 3.44Å; S182-A184 PolarHBondContact O-N 2.98Å
185	K	96.8	Very high	93.7	Very high	166 Å²	166	55.4 Å²	55.4	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.7	174.3	-70.8	171.5	-176.9	177.2	0	113.4	Q181 S182 Y183	Q181-K185 WeakPolarHBondContact O-CG 3.18Å; Q181-K185 PolarHBondContact O-N 2.84Å; S182-K185 PolarHBondContact O-N 2.83Å; Y183-K185 PolarHBondContact O-N 2.87Å
186	C	95.9	Very high	93.6	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.054	28%	0.276	C	S	.	.			trans	-77.2	149.8	176.5	-61.7	0	0	0	0	110.7	P85 S182 Y183 E191 I192 C195	P85-C186 WeakPolarHBondContact CB-O 3.42Å; P85-C186 VanDerWaalsContact CG-O 3.27Å; P85-C186 WeakPolarHBondContact CG-O 3.22Å; S182-C186 PolarHBondContact O-SG 2.98Å; S182-C186 VanDerWaalsContact O-SG 3.36Å; Y183-C186 WeakPolarHBondContact O-CB 3.47Å; Y183-C186 PolarHBondContact O-N 3.4Å; Y183-C186 VanDerWaalsContact O-N 3.13Å; C186-E191 WeakPolarHBondContact CA-OE2 3.33Å; C186-E191 HydrophobicContact CB-CB 3.72Å; C186-I192 HydrophobicContact CB-CD1 4.35Å; C186-I192 HydrophobicContact CB-CG1 3.45Å; C186-I192 VanDerWaalsContact CB-CG1 3.45Å; C186-C195 VanDerWaalsContact SG-SG 3.63Å
187	S	95.3	Very high	93	Very high	45 Å²	45	59.7 Å²	59.7	32%	0.315	30%	0.301	S	S	.	.			trans	-101	-38.1	178.5	-50.6	0	0	0	0	110.5	P85 D86 E191	P85-S187 WeakPolarHBondContact CD-O 3.13Å; D86-S187 WeakPolarHBondContact CB-O 3.27Å; D86-S187 PolarHBondContact N-O 3.45Å; D86-S187 WeakPolarHBondContact OD1-CA 3.48Å; D86-S187 VanDerWaalsContact OD1-CB 3.26Å; D86-S187 WeakPolarHBondContact OD1-CB 3.45Å; D86-S187 VanDerWaalsContact OD2-CB 3.23Å; D86-S187 WeakPolarHBondContact OD2-CB 3.48Å; S187-E191 PolarHBondContact N-OE2 3.42Å
188	T	93.4	Very high	92.6	Very high	44 Å²	44	61.5 Å²	61.5	27%	0.27	30%	0.304	S	S	.	.	S	Bend	trans	-117.3	157.5	-173.3	67.5	0	0	0	0	113.6	S84 K190 E191 I192	S84-T188 WeakPolarHBondContact OG-CA 3.33Å; T188-K190 PolarHBondContact O-N 2.83Å; T188-E191 PolarHBondContact O-N 3.31Å; T188-E191 VanDerWaalsContact O-N 3.16Å; T188-E191 WeakPolarHBondContact OG1-CG 3.46Å; T188-E191 PolarHBondContact OG1-N 2.77Å; T188-I192 PolarHBondContact O-N 2.75Å; T188-I192 VanDerWaalsContact O-N 3.12Å
189	S	88.7	Confident	92.2	Very high	30 Å²	30	55.6 Å²	55.6	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-33.7	170.8	-53.4	0	0	0	0	112.6	V82 L83 S84 I192 L193	V82-S189 PolarHBondContact O-OG 3.1Å; L83-S189 PolarHBondContact O-OG 3.07Å; S84-S189 VanDerWaalsContact CB-OG 3.27Å; S84-S189 WeakPolarHBondContact CB-OG 3.38Å; S84-S189 PolarHBondContact OG-N 2.82Å; S189-I192 PolarHBondContact O-N 2.94Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.82Å
190	K	88.2	Confident	91.2	Very high	176 Å²	176	56.6 Å²	56.6	77%	0.765	28%	0.284	S	S	*	.	H	α-helix	trans	-65.9	-42.8	179.7	-175	179.5	179.8	-179.3	0	111.5	T188 L193 C194	T188-K190 PolarHBondContact O-N 2.83Å; K190-L193 PolarHBondContact O-N 3.11Å; K190-C194 PolarHBondContact O-N 2.96Å
191	E	95.5	Very high	90.2	Very high	81 Å²	81	61 Å²	61	38%	0.379	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-41.7	175	-73.9	167.5	-145.6	0	0	111.6	C186 S187 T188 L193 C194 C195	C186-E191 WeakPolarHBondContact CA-OE2 3.33Å; C186-E191 HydrophobicContact CB-CB 3.72Å; S187-E191 PolarHBondContact N-OE2 3.42Å; T188-E191 PolarHBondContact O-N 3.31Å; T188-E191 VanDerWaalsContact O-N 3.16Å; T188-E191 WeakPolarHBondContact OG1-CG 3.46Å; T188-E191 PolarHBondContact OG1-N 2.77Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 2.84Å; E191-C194 PolarHBondContact O-N 3.02Å; E191-C195 PolarHBondContact O-N 3.16Å
192	I	91.5	Very high	89	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-45.6	175.5	-73.7	179.8	0	0	0	111	V82 L83 P85 P124 I152 Y183 C186 T188 S189 C195 Q196	V82-I192 HydrophobicContact CG1-CG2 3.73Å; L83-I192 WeakPolarHBondContact O-CD1 3.34Å; P85-I192 HydrophobicContact CG-CD1 4.04Å; P124-I192 HydrophobicContact CB-CG2 3.47Å; P124-I192 VanDerWaalsContact CB-CG2 3.47Å; P124-I192 HydrophobicContact CG-CG2 3.73Å; I152-I192 HydrophobicContact CG2-CD1 4.09Å; Y183-I192 HydrophobicContact CD1-CG2 3.99Å; Y183-I192 HydrophobicContact CE1-CG2 4.34Å; C186-I192 HydrophobicContact CB-CD1 4.35Å; C186-I192 HydrophobicContact CB-CG1 3.45Å; C186-I192 VanDerWaalsContact CB-CG1 3.45Å; T188-I192 PolarHBondContact O-N 2.75Å; T188-I192 VanDerWaalsContact O-N 3.12Å; S189-I192 PolarHBondContact O-N 2.94Å; I192-C195 PolarHBondContact O-N 2.89Å; I192-Q196 WeakPolarHBondContact O-CB 3.18Å; I192-Q196 PolarHBondContact O-N 3.05Å
193	L	84.8	Confident	87.7	Confident	68 Å²	68	61.9 Å²	61.9	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-41.7	177	-74.6	171.1	0	0	0	112.2	V82 S189 K190 E191 C195 Q196 E197	V82-L193 HydrophobicContact CG2-CD2 3.87Å; V82-L193 HydrophobicContact CG2-CG 4.28Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.82Å; K190-L193 PolarHBondContact O-N 3.11Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 2.84Å; L193-C195 PolarHBondContact O-N 2.79Å; L193-Q196 WeakPolarHBondContact O-CB 3.24Å; L193-Q196 PolarHBondContact O-N 3.5Å; L193-Q196 VanDerWaalsContact O-N 3.14Å; L193-E197 PolarHBondContact O-N 2.87Å
194	C	88.8	Confident	86.1	Confident	52 Å²	52	65.7 Å²	65.7	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.6	-179.1	0	0	0	0	112.4	K190 E191	K190-C194 PolarHBondContact O-N 2.96Å; E191-C194 PolarHBondContact O-N 3.02Å
195	C	88.7	Confident	84.4	Confident	22 Å²	22	72.1 Å²	72.1	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-41.5	171.1	-79.8	0	0	0	0	111.9	Y183 C186 E191 I192 L193 E197 R198 F199	Y183-C195 HydrophobicContact CD1-CB 4.04Å; Y183-C195 HydrophobicContact CE1-CB 3.95Å; C186-C195 VanDerWaalsContact SG-SG 3.63Å; E191-C195 PolarHBondContact O-N 3.16Å; I192-C195 PolarHBondContact O-N 2.89Å; L193-C195 PolarHBondContact O-N 2.79Å; C195-E197 PolarHBondContact O-N 3.4Å; C195-R198 PolarHBondContact O-N 3.14Å; C195-F199 WeakPolarHBondContact O-CD2 3.31Å; C195-F199 PolarHBondContact O-N 3.21Å
196	Q	87.9	Confident	82.3	Confident	26 Å²	26	67.4 Å²	67.4	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-41.1	177.9	170.5	176.6	-69.9	0	0	112.3	P124 L125 Y183 I192 L193 R198 F199 L200	P124-Q196 VanDerWaalsContact CA-OE1 3.25Å; L125-Q196 HydrophobicContact CB-CG 3.78Å; Y183-Q196 HydrophobicContact CE1-CB 4.26Å; I192-Q196 WeakPolarHBondContact O-CB 3.18Å; I192-Q196 PolarHBondContact O-N 3.05Å; L193-Q196 WeakPolarHBondContact O-CB 3.24Å; L193-Q196 PolarHBondContact O-N 3.5Å; L193-Q196 VanDerWaalsContact O-N 3.14Å; Q196-R198 VanDerWaalsContact C-N 3.28Å; Q196-R198 PolarHBondContact O-N 3.38Å; Q196-F199 PolarHBondContact O-N 2.67Å; Q196-L200 HydrophobicContact CG-CD1 3.85Å; Q196-L200 HydrophobicContact CG-CG 4.15Å; Q196-L200 PolarHBondContact O-N 2.92Å
197	E	83.7	Confident	80	Confident	115 Å²	115	70.3 Å²	70.3	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-54.7	-43.5	177.2	-76	170.5	180	0	0	111.9	L193 C195 F199 L200 E201	L193-E197 PolarHBondContact O-N 2.87Å; C195-E197 PolarHBondContact O-N 3.4Å; E197-F199 VanDerWaalsContact C-N 3.3Å; E197-F199 PolarHBondContact O-N 3.21Å; E197-L200 PolarHBondContact O-N 3.43Å; E197-E201 PolarHBondContact O-N 2.74Å
198	R	88.3	Confident	77.5	Confident	142 Å²	142	72.7 Å²	72.7	54%	0.536	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-38.4	176.3	-59.9	-174.6	-174	95.8	0	112.5	C195 Q196 Q202	C195-R198 PolarHBondContact O-N 3.14Å; Q196-R198 VanDerWaalsContact C-N 3.28Å; Q196-R198 PolarHBondContact O-N 3.38Å; R198-Q202 WeakPolarHBondContact O-CG 3.43Å; R198-Q202 PolarHBondContact O-N 2.68Å
199	F	87.8	Confident	75.1	Confident	13 Å²	13	74.4 Å²	74.4	6%	0.057	38%	0.378	C	S	.	.	H	α-helix	trans	-74.7	-34.8	177.2	-65	-57.2	0	0	0	112.4	L125 Q178 R179 Y183 C195 Q196 E197 Q202 I203	L125-F199 HydrophobicContact CD2-CB 3.77Å; Q178-F199 HydrophobicContact CB-CE1 4.43Å; R179-F199 HydrophobicContact CB-CD2 4.43Å; R179-F199 HydrophobicContact CB-CE2 4.12Å; R179-F199 HydrophobicContact CB-CZ 4.26Å; R179-F199 HydrophobicContact CG-CD1 3.9Å; R179-F199 HydrophobicContact CG-CD2 3.94Å; R179-F199 HydrophobicContact CG-CE1 3.91Å; R179-F199 HydrophobicContact CG-CE2 3.95Å; R179-F199 HydrophobicContact CG-CG 3.92Å; R179-F199 HydrophobicContact CG-CZ 3.94Å; Y183-F199 HydrophobicContact CE1-CD2 4.1Å; Y183-F199 HydrophobicContact CE1-CE2 4.04Å; Y183-F199 AromaticContact CZ-CD2 3.97Å; C195-F199 WeakPolarHBondContact O-CD2 3.31Å; C195-F199 PolarHBondContact O-N 3.21Å; Q196-F199 PolarHBondContact O-N 2.67Å; E197-F199 VanDerWaalsContact C-N 3.3Å; E197-F199 PolarHBondContact O-N 3.21Å; F199-Q202 PolarHBondContact O-N 3.22Å; F199-I203 WeakPolarHBondContact O-CG1 3.27Å; F199-I203 PolarHBondContact O-N 2.96Å
200	L	75.1	Confident	72.7	Confident	62 Å²	62	77.3 Å²	77.3	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.1	-75.7	169.5	0	0	0	110.8	L125 F138 Q196 E197 Q202 I203 T204	L125-L200 HydrophobicContact CD2-CD2 3.79Å; L125-L200 HydrophobicContact CD2-CG 3.88Å; F138-L200 HydrophobicContact CZ-CD2 4.34Å; Q196-L200 HydrophobicContact CG-CD1 3.85Å; Q196-L200 HydrophobicContact CG-CG 4.15Å; Q196-L200 PolarHBondContact O-N 2.92Å; E197-L200 PolarHBondContact O-N 3.43Å; L200-Q202 VanDerWaalsContact C-N 3.3Å; L200-Q202 PolarHBondContact O-N 2.99Å; L200-I203 PolarHBondContact O-N 2.9Å; L200-T204 WeakPolarHBondContact O-CG2 3.37Å; L200-T204 PolarHBondContact O-N 3.07Å; L200-T204 PolarHBondContact O-OG1 2.89Å
201	E	75.7	Confident	70.4	Confident	92 Å²	92	74.9 Å²	74.9	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-38.8	172.9	-75.8	-175.7	-150.7	0	0	112.5	E197 T204 R205	E197-E201 PolarHBondContact O-N 2.74Å; E201-T204 WeakPolarHBondContact CA-OG1 3.46Å; E201-T204 PolarHBondContact O-OG1 3.21Å; E201-T204 VanDerWaalsContact O-OG1 3.05Å; E201-R205 WeakPolarHBondContact O-CB 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.5Å; E201-R205 PolarHBondContact O-N 2.93Å; E201-R205 IonicContact OE2-CZ 2.98Å; E201-R205 IonicContact OE2-NE 3.37Å; E201-R205 IonicContact OE2-NH2 2.66Å; E201-R205 PolarHBondContact OE2-NH2 2.58Å
202	Q	73.5	Confident	67.8	Low	94 Å²	94	76.3 Å²	76.3	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-42	175.8	-73.5	173.2	-1.4	0	0	111.6	R198 F199 L200 V206	R198-Q202 WeakPolarHBondContact O-CG 3.43Å; R198-Q202 PolarHBondContact O-N 2.68Å; F199-Q202 PolarHBondContact O-N 3.22Å; L200-Q202 VanDerWaalsContact C-N 3.3Å; L200-Q202 PolarHBondContact O-N 2.99Å; Q202-V206 VanDerWaalsContact O-CB 3.28Å; Q202-V206 WeakPolarHBondContact O-CB 3.41Å; Q202-V206 WeakPolarHBondContact O-CG2 3.45Å; Q202-V206 PolarHBondContact O-N 3.23Å
203	I	68.5	Low	65.4	Low	43 Å²	43	76.6 Å²	76.6	22%	0.221	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-47	176.8	-67	174.2	0	0	0	110	L125 I127 F199 L200 V206 D207	L125-I203 HydrophobicContact CD1-CD1 3.99Å; L125-I203 HydrophobicContact CD2-CD1 3.62Å; L125-I203 HydrophobicContact CG-CD1 4.27Å; I127-I203 HydrophobicContact CD1-CD1 4.06Å; F199-I203 WeakPolarHBondContact O-CG1 3.27Å; F199-I203 PolarHBondContact O-N 2.96Å; L200-I203 PolarHBondContact O-N 2.9Å; I203-V206 PolarHBondContact O-N 3.12Å; I203-D207 VanDerWaalsContact O-CB 3.31Å; I203-D207 WeakPolarHBondContact O-CB 3.24Å; I203-D207 VanDerWaalsContact O-CG 3.24Å; I203-D207 PolarHBondContact O-N 3.17Å
204	T	63.6	Low	63.2	Low	79 Å²	79	81.5 Å²	81.5	49%	0.485	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-37.5	179.8	57.1	0	0	0	0	112.6	L200 E201 S208	L200-T204 WeakPolarHBondContact O-CG2 3.37Å; L200-T204 PolarHBondContact O-N 3.07Å; L200-T204 PolarHBondContact O-OG1 2.89Å; E201-T204 WeakPolarHBondContact CA-OG1 3.46Å; E201-T204 PolarHBondContact O-OG1 3.21Å; E201-T204 VanDerWaalsContact O-OG1 3.05Å; T204-S208 VanDerWaalsContact O-CB 3.32Å; T204-S208 WeakPolarHBondContact O-CB 3.47Å; T204-S208 PolarHBondContact O-N 2.8Å; T204-S208 PolarHBondContact O-OG 2.7Å
205	R	60.7	Low	61.1	Low	157 Å²	157	80 Å²	80	59%	0.592	41%	0.405	S	S	*	.	H	α-helix	trans	-67	-43.6	174	-74.7	177.6	-160.2	-166.5	9.6	111.5	E201 D207 S208 S209	E201-R205 WeakPolarHBondContact O-CB 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.5Å; E201-R205 PolarHBondContact O-N 2.93Å; E201-R205 IonicContact OE2-CZ 2.98Å; E201-R205 IonicContact OE2-NE 3.37Å; E201-R205 IonicContact OE2-NH2 2.66Å; E201-R205 PolarHBondContact OE2-NH2 2.58Å; R205-D207 VanDerWaalsContact C-N 3.33Å; R205-S208 CarbonylContact O-C 3.51Å; R205-S208 WeakPolarHBondContact O-CA 3.3Å; R205-S208 PolarHBondContact O-N 3.19Å; R205-S208 VanDerWaalsContact O-N 3.09Å; R205-S209 VanDerWaalsContact O-CB 3.25Å; R205-S209 WeakPolarHBondContact O-CB 3.3Å; R205-S209 PolarHBondContact O-N 3.18Å; R205-S209 PolarHBondContact O-OG 2.83Å
206	V	53.6	Low	59.4	Low	66 Å²	66	82.2 Å²	82.2	40%	0.4	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-42.9	176.7	171.2	0	0	0	0	109.7	Q202 I203 S208 S209 N210	Q202-V206 VanDerWaalsContact O-CB 3.28Å; Q202-V206 WeakPolarHBondContact O-CB 3.41Å; Q202-V206 WeakPolarHBondContact O-CG2 3.45Å; Q202-V206 PolarHBondContact O-N 3.23Å; I203-V206 PolarHBondContact O-N 3.12Å; V206-S208 PolarHBondContact O-N 2.88Å; V206-S209 PolarHBondContact O-N 3.38Å; V206-N210 HydrophobicContact CG1-CB 4.16Å; V206-N210 VanDerWaalsContact CG1-ND2 3.32Å; V206-N210 WeakPolarHBondContact CG1-ND2 3.32Å; V206-N210 VanDerWaalsContact O-CB 3.31Å; V206-N210 WeakPolarHBondContact O-CB 3.22Å; V206-N210 PolarHBondContact O-N 2.79Å
207	D	47.9	Very low	57.3	Low	70 Å²	70	85 Å²	85	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-26.3	173.6	-76.3	-12.8	0	0	0	112.8	I203 R205 L323	I203-D207 VanDerWaalsContact O-CB 3.31Å; I203-D207 WeakPolarHBondContact O-CB 3.24Å; I203-D207 VanDerWaalsContact O-CG 3.24Å; I203-D207 PolarHBondContact O-N 3.17Å; R205-D207 VanDerWaalsContact C-N 3.33Å; D207-L323 HydrophobicContact CB-CD1 3.78Å
208	S	41.3	Very low	55.9	Low	95 Å²	95	86.2 Å²	86.2	66%	0.664	43%	0.431	S	S	*	.	H	α-helix	trans	-94.4	-17.4	177.8	-54	0	0	0	0	114.6	T204 R205 V206	T204-S208 VanDerWaalsContact O-CB 3.32Å; T204-S208 WeakPolarHBondContact O-CB 3.47Å; T204-S208 PolarHBondContact O-N 2.8Å; T204-S208 PolarHBondContact O-OG 2.7Å; R205-S208 CarbonylContact O-C 3.51Å; R205-S208 WeakPolarHBondContact O-CA 3.3Å; R205-S208 PolarHBondContact O-N 3.19Å; R205-S208 VanDerWaalsContact O-N 3.09Å; V206-S208 PolarHBondContact O-N 2.88Å
209	S	42.8	Very low	54.6	Low	79 Å²	79	81.6 Å²	81.6	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-124.9	-11.9	-171.5	62.2	0	0	0	0	114.8	R205 V206 T211	R205-S209 VanDerWaalsContact O-CB 3.25Å; R205-S209 WeakPolarHBondContact O-CB 3.3Å; R205-S209 PolarHBondContact O-N 3.18Å; R205-S209 PolarHBondContact O-OG 2.83Å; V206-S209 PolarHBondContact O-N 3.38Å; S209-T211 PolarHBondContact O-N 2.88Å
210	N	38.8	Very low	53.5	Low	92 Å²	92	85.7 Å²	85.7	49%	0.492	44%	0.442	S	S	.	.			trans	-77.7	72	169.9	-99.5	-6.5	0	0	0	111	V206 K212	V206-N210 HydrophobicContact CG1-CB 4.16Å; V206-N210 VanDerWaalsContact CG1-ND2 3.32Å; V206-N210 WeakPolarHBondContact CG1-ND2 3.32Å; V206-N210 VanDerWaalsContact O-CB 3.31Å; V206-N210 WeakPolarHBondContact O-CB 3.22Å; V206-N210 PolarHBondContact O-N 2.79Å; N210-K212 PolarHBondContact O-N 3.17Å
211	T	39.4	Very low	52.5	Low	124 Å²	124	86.9 Å²	86.9	76%	0.761	45%	0.448	S	S	*	.			trans	-87.7	43.5	154.2	-38.3	0	0	0	0	109.1	S209	S209-T211 PolarHBondContact O-N 2.88Å
212	K	40.5	Very low	52	Low	111 Å²	111	86.8 Å²	86.8	48%	0.483	45%	0.451	S	S	.	.			trans	-121.6	104.1	155.7	-80	-163.8	174.2	-164.5	0	106.1	N210 D216 E220	N210-K212 PolarHBondContact O-N 3.17Å; K212-D216 WeakPolarHBondContact CA-OD2 3.32Å; K212-D216 HydrophobicContact CB-CB 4.22Å; K212-D216 HydrophobicContact CG-CB 4.33Å; K212-E220 IonicContact NZ-OE2 3.22Å; K212-E220 PolarHBondContact NZ-OE2 2.75Å
213	S	41.5	Very low	51.9	Low	7 Å²	7	87.3 Å²	87.3	5%	0.049	46%	0.457	C	S	.	.			trans	-58.5	154.9	172.1	178.4	0	0	0	0	109.9	A215 D216 I217 R526 H528	S213-A215 PolarHBondContact O-N 3.34Å; S213-A215 VanDerWaalsContact OG-CB 3.28Å; S213-A215 WeakPolarHBondContact OG-CB 3.39Å; S213-A215 PolarHBondContact OG-N 2.69Å; S213-D216 WeakPolarHBondContact CB-OD2 3.31Å; S213-D216 PolarHBondContact N-OD2 2.88Å; S213-D216 WeakPolarHBondContact O-CB 3.44Å; S213-D216 PolarHBondContact O-N 3.29Å; S213-I217 PolarHBondContact O-N 2.8Å; S213-R526 WeakPolarHBondContact OG-CD 3.39Å; S213-H528 PolarHBondContact OG-CE1 3.4Å; S213-H528 VanDerWaalsContact OG-CE1 3.3Å; S213-H528 PolarHBondContact OG-NE2 2.9Å
214	Y	38.5	Very low	51.9	Low	170 Å²	170	90.7 Å²	90.7	67%	0.667	47%	0.472	S	S	*	.	H	α-helix	trans	-46.8	-31.5	160.6	-88.3	-83.8	0	0	0	111.9	D216 I217 Y218	Y214-D216 VanDerWaalsContact C-N 3.33Å; Y214-D216 PolarHBondContact O-N 3.18Å; Y214-I217 PolarHBondContact O-N 3.29Å; Y214-Y218 AromaticContact CD1-CE2 3.94Å; Y214-Y218 HydrophobicContact CD1-CE2 3.94Å; Y214-Y218 WeakPolarHBondContact O-CD2 3.37Å; Y214-Y218 PolarHBondContact O-N 3.09Å
215	A	44.9	Very low	51.6	Low	20 Å²	20	91.4 Å²	91.4	17%	0.165	47%	0.471	C	S	.	.	H	α-helix	trans	-54.9	-44.1	170.8	0	0	0	0	0	114.1	S213 Y218 A219 H528	S213-A215 PolarHBondContact O-N 3.34Å; S213-A215 VanDerWaalsContact OG-CB 3.28Å; S213-A215 WeakPolarHBondContact OG-CB 3.39Å; S213-A215 PolarHBondContact OG-N 2.69Å; A215-Y218 PolarHBondContact O-N 3.32Å; A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.24Å; A215-A219 PolarHBondContact O-N 3.29Å; A215-H528 HydrophobicContact CB-CB 3.33Å
216	D	54.2	Low	51.6	Low	69 Å²	69	89.3 Å²	89.3	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-73.4	-36.5	-176.1	-55	-42.2	0	0	0	109.9	K212 S213 Y214 E220	K212-D216 WeakPolarHBondContact CA-OD2 3.32Å; K212-D216 HydrophobicContact CB-CB 4.22Å; K212-D216 HydrophobicContact CG-CB 4.33Å; S213-D216 WeakPolarHBondContact CB-OD2 3.31Å; S213-D216 PolarHBondContact N-OD2 2.88Å; S213-D216 WeakPolarHBondContact O-CB 3.44Å; S213-D216 PolarHBondContact O-N 3.29Å; Y214-D216 VanDerWaalsContact C-N 3.33Å; Y214-D216 PolarHBondContact O-N 3.18Å; D216-E220 VanDerWaalsContact O-CB 3.31Å; D216-E220 WeakPolarHBondContact O-CB 3.44Å; D216-E220 PolarHBondContact O-N 2.59Å
217	I	43.7	Very low	52.1	Low	86 Å²	86	88.9 Å²	88.9	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-46.2	173.5	-60.6	174.1	0	0	0	110.6	S213 Y214 E220 L221	S213-I217 PolarHBondContact O-N 2.8Å; Y214-I217 PolarHBondContact O-N 3.29Å; I217-E220 PolarHBondContact O-N 3.19Å; I217-L221 PolarHBondContact O-N 2.83Å; I217-L221 VanDerWaalsContact O-N 3.07Å
218	Y	54.3	Low	52.3	Low	140 Å²	140	91.7 Å²	91.7	55%	0.549	49%	0.49	S	S	.	.	H	α-helix	trans	-69.9	-37.7	178.1	-73.2	-61.9	0	0	0	112.5	Y214 A215 E220 L221 D222	Y214-Y218 AromaticContact CD1-CE2 3.94Å; Y214-Y218 HydrophobicContact CD1-CE2 3.94Å; Y214-Y218 WeakPolarHBondContact O-CD2 3.37Å; Y214-Y218 PolarHBondContact O-N 3.09Å; A215-Y218 PolarHBondContact O-N 3.32Å; Y218-E220 VanDerWaalsContact C-N 3.32Å; Y218-E220 PolarHBondContact O-N 2.95Å; Y218-L221 PolarHBondContact O-N 3.39Å; Y218-D222 WeakPolarHBondContact O-CB 3.38Å; Y218-D222 PolarHBondContact O-N 2.82Å
219	A	61.4	Low	52.6	Low	44 Å²	44	91.1 Å²	91.1	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-38.1	175.3	0	0	0	0	0	112	A215 N223	A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.24Å; A215-A219 PolarHBondContact O-N 3.29Å; A219-N223 WeakPolarHBondContact O-CB 3.37Å; A219-N223 PolarHBondContact O-N 3.39Å; A219-N223 PolarHBondContact O-ND2 3.32Å; A219-N223 VanDerWaalsContact O-ND2 3.09Å
220	E	64.4	Low	52.9	Low	100 Å²	100	91.9 Å²	91.9	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-36.2	175.9	-163.1	147.8	-159.8	0	0	111.4	K212 D216 I217 Y218 Q224	K212-E220 IonicContact NZ-OE2 3.22Å; K212-E220 PolarHBondContact NZ-OE2 2.75Å; D216-E220 VanDerWaalsContact O-CB 3.31Å; D216-E220 WeakPolarHBondContact O-CB 3.44Å; D216-E220 PolarHBondContact O-N 2.59Å; I217-E220 PolarHBondContact O-N 3.19Å; Y218-E220 VanDerWaalsContact C-N 3.32Å; Y218-E220 PolarHBondContact O-N 2.95Å; E220-Q224 WeakPolarHBondContact O-CG 3.18Å; E220-Q224 PolarHBondContact O-N 3.15Å; E220-Q224 VanDerWaalsContact O-N 3.14Å
221	L	54.1	Low	53.1	Low	86 Å²	86	92.1 Å²	92.1	45%	0.45	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-44.9	172.3	-130.9	93.7	0	0	0	112.6	I217 Y218 N223 Q224 I225	I217-L221 PolarHBondContact O-N 2.83Å; I217-L221 VanDerWaalsContact O-N 3.07Å; Y218-L221 PolarHBondContact O-N 3.39Å; L221-N223 VanDerWaalsContact C-N 3.3Å; L221-N223 PolarHBondContact O-N 3.4Å; L221-Q224 WeakPolarHBondContact O-CB 3.25Å; L221-Q224 PolarHBondContact O-N 3.41Å; L221-Q224 VanDerWaalsContact O-N 3.14Å; L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.02Å
222	D	65.5	Low	53	Low	90 Å²	90	91.2 Å²	91.2	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-39.5	178	-76	-18.6	0	0	0	110.9	Y218 Q224 I225 L226	Y218-D222 WeakPolarHBondContact O-CB 3.38Å; Y218-D222 PolarHBondContact O-N 2.82Å; D222-Q224 PolarHBondContact O-N 3.4Å; D222-I225 PolarHBondContact O-N 3.04Å; D222-L226 WeakPolarHBondContact O-CB 3.38Å; D222-L226 VanDerWaalsContact O-CG 3.28Å; D222-L226 WeakPolarHBondContact O-CG 3.33Å; D222-L226 PolarHBondContact O-N 3.15Å
223	N	70	Confident	52.5	Low	106 Å²	106	95.1 Å²	95.1	57%	0.567	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-37.3	174.1	-75.7	-32.2	0	0	0	112.4	A219 L221 A227	A219-N223 WeakPolarHBondContact O-CB 3.37Å; A219-N223 PolarHBondContact O-N 3.39Å; A219-N223 PolarHBondContact O-ND2 3.32Å; A219-N223 VanDerWaalsContact O-ND2 3.09Å; L221-N223 VanDerWaalsContact C-N 3.3Å; L221-N223 PolarHBondContact O-N 3.4Å; N223-A227 VanDerWaalsContact O-CB 3.27Å; N223-A227 WeakPolarHBondContact O-CB 3.32Å; N223-A227 PolarHBondContact O-N 3.48Å
224	Q	68.9	Low	52.1	Low	114 Å²	114	101.1 Å²	101.1	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-42.6	174.1	-73.6	172.9	15.7	0	0	111.4	E220 L221 D222 L226 A227 D228	E220-Q224 WeakPolarHBondContact O-CG 3.18Å; E220-Q224 PolarHBondContact O-N 3.15Å; E220-Q224 VanDerWaalsContact O-N 3.14Å; L221-Q224 WeakPolarHBondContact O-CB 3.25Å; L221-Q224 PolarHBondContact O-N 3.41Å; L221-Q224 VanDerWaalsContact O-N 3.14Å; D222-Q224 PolarHBondContact O-N 3.4Å; Q224-L226 PolarHBondContact O-N 3.09Å; Q224-A227 PolarHBondContact O-N 2.61Å; Q224-D228 PolarHBondContact O-N 3.5Å
225	I	58.2	Low	51.7	Low	93 Å²	93	97.9 Å²	97.9	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-64.8	-39.4	177.5	-66.2	166.8	0	0	0	111.3	L221 D222 S229	L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.02Å; D222-I225 PolarHBondContact O-N 3.04Å; I225-S229 WeakPolarHBondContact O-CB 3.26Å; I225-S229 PolarHBondContact O-N 3.14Å; I225-S229 VanDerWaalsContact O-N 3.15Å; I225-S229 PolarHBondContact O-OG 3.28Å
226	L	60.4	Low	51.3	Low	114 Å²	114	102 Å²	102	60%	0.597	59%	0.589	S	S	*	*	H	α-helix	trans	-71	-35.5	176.4	-72.1	168.5	0	0	0	112.7	D222 Q224 S229 S230	D222-L226 WeakPolarHBondContact O-CB 3.38Å; D222-L226 VanDerWaalsContact O-CG 3.28Å; D222-L226 WeakPolarHBondContact O-CG 3.33Å; D222-L226 PolarHBondContact O-N 3.15Å; Q224-L226 PolarHBondContact O-N 3.09Å; L226-S229 PolarHBondContact O-N 3.07Å; L226-S230 PolarHBondContact O-N 3.11Å; L226-S230 PolarHBondContact O-OG 3.42Å
227	A	62.7	Low	50.3	Low	56 Å²	56	103.5 Å²	103.5	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-67.7	-40.3	175.5	0	0	0	0	0	111.9	N223 Q224 S229 S230	N223-A227 VanDerWaalsContact O-CB 3.27Å; N223-A227 WeakPolarHBondContact O-CB 3.32Å; N223-A227 PolarHBondContact O-N 3.48Å; Q224-A227 PolarHBondContact O-N 2.61Å; A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 3.48Å; A227-S230 PolarHBondContact O-N 3.23Å; A227-S230 PolarHBondContact O-OG 3.06Å
228	D	53	Low	50	Low	129 Å²	129	104.4 Å²	104.4	69%	0.69	62%	0.618	S	S	*	*	H	α-helix	trans	-69.9	-29.1	176	-78.8	-14	0	0	0	112.3	Q224 S230 S231	Q224-D228 PolarHBondContact O-N 3.5Å; D228-S230 PolarHBondContact O-N 3.45Å; D228-S231 PolarHBondContact O-OG 2.82Å
229	S	48.4	Very low	49.2	Very low	83 Å²	83	106.9 Å²	106.9	58%	0.58	64%	0.635	S	S	*	*	H	α-helix	trans	-77.8	-16.3	178.9	-56.7	0	0	0	0	114.4	I225 L226 A227	I225-S229 WeakPolarHBondContact O-CB 3.26Å; I225-S229 PolarHBondContact O-N 3.14Å; I225-S229 VanDerWaalsContact O-N 3.15Å; I225-S229 PolarHBondContact O-OG 3.28Å; L226-S229 PolarHBondContact O-N 3.07Å; A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 3.48Å
230	S	48	Very low	47.8	Very low	95 Å²	95	111.8 Å²	111.8	66%	0.664	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	4.2	-176.8	49.2	0	0	0	0	114.4	L226 A227 D228	L226-S230 PolarHBondContact O-N 3.11Å; L226-S230 PolarHBondContact O-OG 3.42Å; A227-S230 PolarHBondContact O-N 3.23Å; A227-S230 PolarHBondContact O-OG 3.06Å; D228-S230 PolarHBondContact O-N 3.45Å
231	S	42.4	Very low	46.5	Very low	97 Å²	97	117 Å²	117	68%	0.678	68%	0.677	S	S	*	*			trans	-99.7	9.2	-177.5	67.2	0	0	0	0	115.6	D228	D228-S231 PolarHBondContact O-OG 2.82Å
232	S	37.2	Very low	45.4	Very low	105 Å²	105	118.5 Å²	118.5	73%	0.734	69%	0.69	S	S	*	*			trans	-102.8	67.4	174.9	59	0	0	0	0	113.1
233	Q	31.8	Very low	44.1	Very low	194 Å²	194	122.3 Å²	122.3	91%	0.907	71%	0.705	S	S	*	*			trans	-105.4	104	155.1	-83.8	-173.4	-11.7	0	0	108.5
234	C	31.8	Very low	42.3	Very low	132 Å²	132	124.9 Å²	124.9	89%	0.892	71%	0.713	S	S	*	*			trans	-136.7	131.3	159.5	-143.1	0	0	0	0	109.9
235	S	31.7	Very low	40.6	Very low	103 Å²	103	130 Å²	130	72%	0.72	73%	0.728	S	S	*	*			trans	-83.1	151.2	-163.7	46.3	0	0	0	0	114.7
236	S	34.7	Very low	39.3	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	75%	0.749	S	S	*	*				133.7	133.1	123.8	69.1	0	0	0	0	116.5
237	S	34.7	Very low	38	Very low	99 Å²	99	135.8 Å²	135.8	69%	0.692	76%	0.76	S	S	*	*			trans	52.5	110.5	146.9	53.4	0	0	0	0	118.8
238	S	36.6	Very low	36.6	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	77%	0.773	S	S	*	*				107.4	135.6	61.4	62.6	0	0	0	0	111.6
239	E	37.5	Very low	35.9	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	78%	0.778	S	S	*	*			trans	111.3	130.9	156	-57	-167.6	174.2	0	0	119.5
240	D	32.3	Very low	35.3	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	79%	0.785	S	S	*	*			trans	-60.6	158.2	-172.7	-84.4	-46.6	0	0	0	115.5
241	F	36.2	Very low	34.9	Very low	208 Å²	208	142.8 Å²	142.8	91%	0.912	79%	0.789	S	S	*	*				-177.4	137.5	115.4	-106.4	-81.7	0	0	0	111.5
242	T	32.3	Very low	34.6	Very low	118 Å²	118	145.1 Å²	145.1	72%	0.724	80%	0.799	S	S	*	*			trans	-87.5	151.6	-175	16.7	0	0	0	0	113.4
243	E	36.7	Very low	34.4	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	81%	0.806	S	S	*	*				158.1	124.1	121.5	-84.6	-169	157.4	0	0	116.6
244	Q	33.8	Very low	34.6	Very low	159 Å²	159	144.2 Å²	144.2	74%	0.743	80%	0.802	S	S	*	*			trans	41.6	114.5	136.2	-65.5	-173.4	4.8	0	0	122.5
245	R	31.6	Very low	34.7	Very low	223 Å²	223	145.3 Å²	145.3	84%	0.842	80%	0.799	S	S	*	*				72.7	119.8	97.3	-75.4	-173.9	177.4	-166.4	-0.5	116.7
246	T	32.1	Very low	34.8	Very low	149 Å²	149	146 Å²	146	91%	0.914	80%	0.804	S	S	*	*				-174.5	145.3	116.2	23.1	0	0	0	0	113
247	E	32.3	Very low	34.7	Very low	178 Å²	178	148 Å²	148	83%	0.832	81%	0.806	S	S	*	*			trans	-77	164.2	-178.7	-59	172.2	156.9	0	0	113
248	T	34.5	Very low	34.6	Very low	122 Å²	122	152.4 Å²	152.4	75%	0.748	82%	0.816	S	S	*	*				174.1	128.4	124.8	33.8	0	0	0	0	114.7
249	H	38	Very low	34.3	Very low	168 Å²	168	157.3 Å²	157.3	78%	0.778	83%	0.827	S	S	*	*			trans	75.6	102.6	135.1	-68	-49.3	0	0	0	125.5
250	S	35.6	Very low	34	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	82%	0.819	S	S	*	*				67.8	155.8	117.7	15.6	0	0	0	0	123.8
251	P	39.4	Very low	33.9	Very low	116 Å²	116	151.4 Å²	151.4	75%	0.753	81%	0.808	S	S	*	*			trans	-122.1	174.8	-130.8	44.6	-33.2	0	0	0	115.7
252	T	36	Very low	33.8	Very low	146 Å²	146	146.9 Å²	146.9	90%	0.896	80%	0.797	S	S	*	*			trans	-157.1	139.2	154.1	28.3	0	0	0	0	112.8
253	D	32.7	Very low	34.4	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	80%	0.801	S	S	*	*			trans	-62.1	147.9	179.6	-61.4	-59.9	0	0	0	115.6
254	S	35.9	Very low	35.2	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	78%	0.778	S	S	*	*			trans	-171.2	120.6	133.4	47.9	0	0	0	0	111.8
255	N	33.6	Very low	36.3	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	78%	0.776	S	S	*	*			trans	-56.8	138.9	176.3	-74	-41.5	0	0	0	114.3
256	S	33.8	Very low	38.1	Very low	118 Å²	118	134 Å²	134	83%	0.825	76%	0.759	S	S	*	*			trans	-147.2	99.3	144.6	62.6	0	0	0	0	109.6	Q258	S256-Q258 PolarHBondContact O-N 3.3Å
257	D	32.5	Very low	40.1	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	75%	0.747	S	S	*	*			trans	-66.8	112.9	173.5	-75.1	-50.1	0	0	0	111.4
258	Q	32.2	Very low	42.3	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	73%	0.728	S	S	*	*			trans	-141.2	97.5	154	-73.5	-173.2	-6	0	0	107.6	S256 D260	S256-Q258 PolarHBondContact O-N 3.3Å; Q258-D260 PolarHBondContact O-N 3.44Å
259	Q	31.2	Very low	44.7	Very low	208 Å²	208	125 Å²	125	97%	0.972	70%	0.699	S	S	*	*			trans	-72.3	92.3	171.4	-98.4	178.5	-8.4	0	0	109.1
260	D	31	Very low	46.9	Very low	136 Å²	136	121.8 Å²	121.8	73%	0.727	69%	0.687	S	S	*	*			trans	-80.6	146.6	167.2	-146.3	-8.3	0	0	0	110	Q258 T262	Q258-D260 PolarHBondContact O-N 3.44Å; D260-T262 PolarHBondContact O-N 3.06Å
261	S	30.5	Very low	49.5	Very low	80 Å²	80	123 Å²	123	56%	0.559	68%	0.68	S	S	*	*			trans	-66	92.6	-169.4	58.8	0	0	0	0	112.6	V263	S261-V263 PolarHBondContact O-N 2.9Å
262	T	33.7	Very low	51.9	Low	113 Å²	113	119.7 Å²	119.7	69%	0.693	66%	0.657	S	S	*	*			trans	-79	121.1	178.1	42.9	0	0	0	0	111.4	D260 I264	D260-T262 PolarHBondContact O-N 3.06Å; T262-I264 PolarHBondContact O-N 3.43Å
263	V	45.2	Very low	54.4	Low	131 Å²	131	113.9 Å²	113.9	79%	0.794	62%	0.621	S	S	*	*			trans	-44.3	111.9	156.1	176.5	0	0	0	0	107.7	S261 K265	S261-V263 PolarHBondContact O-N 2.9Å; V263-K265 PolarHBondContact O-N 3.17Å; V263-K265 VanDerWaalsContact O-N 3.14Å
264	I	53.2	Low	57.2	Low	63 Å²	63	109.6 Å²	109.6	32%	0.323	60%	0.6	S	S	.	*			trans	-61.5	119.2	-177.4	-60.3	175.8	0	0	0	107.2	T262 E268 I269 L482	T262-I264 PolarHBondContact O-N 3.43Å; I264-E268 HydrophobicContact CG2-CB 3.47Å; I264-E268 VanDerWaalsContact CG2-CB 3.47Å; I264-E268 WeakPolarHBondContact CG2-OE2 3.25Å; I264-I269 HydrophobicContact CB-CG1 4.15Å; I264-I269 HydrophobicContact CG2-CD1 4.48Å; I264-I269 HydrophobicContact CG2-CG1 3.57Å; I264-L482 HydrophobicContact CD1-CD1 3.69Å
265	K	56.7	Low	60	Low	159 Å²	159	110.3 Å²	110.3	69%	0.691	59%	0.589	S	S	*	*			trans	-63.4	147.6	-179.6	-68.4	-179.7	178.5	179.3	0	109.4	V263 E267 E268 I269	V263-K265 PolarHBondContact O-N 3.17Å; V263-K265 VanDerWaalsContact O-N 3.14Å; K265-E267 PolarHBondContact O-N 2.93Å; K265-E268 PolarHBondContact N-OE2 2.87Å; K265-E268 WeakPolarHBondContact O-CB 3.4Å; K265-E268 PolarHBondContact O-N 3.24Å; K265-I269 PolarHBondContact O-N 3.37Å
266	G	70.3	Confident	62.8	Low	49 Å²	49	103.2 Å²	103.2	51%	0.505	55%	0.55	S	S	.	*	H	α-helix	trans	-52.4	-33	-176.5	0	0	0	0	0	114.4	I269 N270	G266-I269 PolarHBondContact O-N 2.87Å; G266-N270 PolarHBondContact O-N 3.02Å; G266-N270 VanDerWaalsContact O-N 3.08Å; G266-N270 PolarHBondContact O-ND2 2.99Å
267	E	73.3	Confident	65.6	Low	140 Å²	140	100.5 Å²	100.5	65%	0.654	53%	0.526	S	S	*	.	H	α-helix	trans	-64.6	-38.8	174.5	-64.9	-176.4	176.2	0	0	113.8	K265 N270 K271	K265-E267 PolarHBondContact O-N 2.93Å; E267-N270 PolarHBondContact O-N 3.49Å; E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 3.25Å
268	E	79.8	Confident	68.6	Low	93 Å²	93	99 Å²	99	44%	0.435	52%	0.518	S	S	.	.	H	α-helix	trans	-69.9	-39.5	178.7	-67.7	-179.8	155.3	0	0	110.9	I264 K265 N270 K271 V272	I264-E268 HydrophobicContact CG2-CB 3.47Å; I264-E268 VanDerWaalsContact CG2-CB 3.47Å; I264-E268 WeakPolarHBondContact CG2-OE2 3.25Å; K265-E268 PolarHBondContact N-OE2 2.87Å; K265-E268 WeakPolarHBondContact O-CB 3.4Å; K265-E268 PolarHBondContact O-N 3.24Å; E268-N270 VanDerWaalsContact C-N 3.34Å; E268-N270 PolarHBondContact O-N 2.94Å; E268-K271 PolarHBondContact O-N 3.31Å; E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.16Å
269	I	83.3	Confident	71.5	Confident	26 Å²	26	91.8 Å²	91.8	13%	0.133	49%	0.487	C	S	.	.	H	α-helix	trans	-56.7	-50.7	172.3	-64.1	-179.5	0	0	0	109.6	I264 K265 G266 K271 V272 I273 Y477 L482	I264-I269 HydrophobicContact CB-CG1 4.15Å; I264-I269 HydrophobicContact CG2-CD1 4.48Å; I264-I269 HydrophobicContact CG2-CG1 3.57Å; K265-I269 PolarHBondContact O-N 3.37Å; G266-I269 PolarHBondContact O-N 2.87Å; I269-K271 VanDerWaalsContact C-N 3.35Å; I269-K271 PolarHBondContact O-N 3.2Å; I269-V272 PolarHBondContact O-N 3.47Å; I269-V272 VanDerWaalsContact O-N 3.13Å; I269-I273 HydrophobicContact CG2-CG1 4.26Å; I269-I273 WeakPolarHBondContact O-CG1 3.39Å; I269-I273 PolarHBondContact O-N 2.83Å; I269-Y477 HydrophobicContact CD1-CD1 4.47Å; I269-Y477 HydrophobicContact CD1-CG 4.49Å; I269-Y477 HydrophobicContact CG2-CD1 3.44Å; I269-Y477 VanDerWaalsContact CG2-CD1 3.44Å; I269-Y477 HydrophobicContact CG2-CE1 3.62Å; I269-Y477 HydrophobicContact CG2-CG 4.4Å; I269-L482 HydrophobicContact CG1-CD1 4.23Å; I269-L482 HydrophobicContact CG2-CD2 4.07Å
270	N	84.9	Confident	74.5	Confident	100 Å²	100	85 Å²	85	54%	0.535	46%	0.457	S	S	.	.	H	α-helix	trans	-58.9	-45	179.9	-72.5	-24.2	0	0	0	111.9	G266 E267 E268 V272 I273 T274	G266-N270 PolarHBondContact O-N 3.02Å; G266-N270 VanDerWaalsContact O-N 3.08Å; G266-N270 PolarHBondContact O-ND2 2.99Å; E267-N270 PolarHBondContact O-N 3.49Å; E268-N270 VanDerWaalsContact C-N 3.34Å; E268-N270 PolarHBondContact O-N 2.94Å; N270-V272 VanDerWaalsContact C-N 3.31Å; N270-V272 PolarHBondContact O-N 3.38Å; N270-I273 PolarHBondContact O-N 3.36Å; N270-T274 PolarHBondContact O-N 3.27Å; N270-T274 PolarHBondContact O-OG1 3.4Å
271	K	90.2	Very high	77.5	Confident	130 Å²	130	78.8 Å²	78.8	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-59.2	-40.1	176	-73.2	171.7	-175	170.1	0	112.7	E267 E268 I269 K275	E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 3.25Å; E268-K271 PolarHBondContact O-N 3.31Å; I269-K271 VanDerWaalsContact C-N 3.35Å; I269-K271 PolarHBondContact O-N 3.2Å; K271-K275 WeakPolarHBondContact O-CG 3.07Å; K271-K275 PolarHBondContact O-N 2.78Å
272	V	89.1	Confident	80.5	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.285	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-47.5	176.8	170	0	0	0	0	110.6	E268 I269 N270 K275 Q276 L482	E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.16Å; I269-V272 PolarHBondContact O-N 3.47Å; I269-V272 VanDerWaalsContact O-N 3.13Å; N270-V272 VanDerWaalsContact C-N 3.31Å; N270-V272 PolarHBondContact O-N 3.38Å; V272-K275 PolarHBondContact O-N 3.02Å; V272-Q276 WeakPolarHBondContact O-CG 3.44Å; V272-Q276 PolarHBondContact O-N 3.27Å; V272-L482 HydrophobicContact CG1-CB 4.41Å; V272-L482 HydrophobicContact CG1-CD2 4.44Å; V272-L482 WeakPolarHBondContact CG1-O 3.1Å
273	I	89.6	Confident	83.3	Confident	24 Å²	24	76.3 Å²	76.3	12%	0.123	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-42.7	-179.7	-63.2	-54.8	0	0	0	111.4	I269 N270 K275 Q276 I277 L482	I269-I273 HydrophobicContact CG2-CG1 4.26Å; I269-I273 WeakPolarHBondContact O-CG1 3.39Å; I269-I273 PolarHBondContact O-N 2.83Å; N270-I273 PolarHBondContact O-N 3.36Å; I273-K275 PolarHBondContact O-N 3.19Å; I273-Q276 VanDerWaalsContact CD1-OE1 3.3Å; I273-Q276 WeakPolarHBondContact O-CB 3.44Å; I273-Q276 PolarHBondContact O-N 3.32Å; I273-Q276 VanDerWaalsContact O-N 3.11Å; I273-I277 HydrophobicContact CG2-CD1 3.83Å; I273-I277 HydrophobicContact CG2-CG1 4.37Å; I273-I277 WeakPolarHBondContact O-CG1 3.22Å; I273-I277 PolarHBondContact O-N 3.2Å; I273-L482 HydrophobicContact CD1-CD2 4.16Å
274	T	92.1	Very high	85.7	Confident	73 Å²	73	77.4 Å²	77.4	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-56.5	-48.4	175.8	-59.2	0	0	0	0	111.2	N270 Q276 I277 D278	N270-T274 PolarHBondContact O-N 3.27Å; N270-T274 PolarHBondContact O-OG1 3.4Å; T274-Q276 PolarHBondContact O-N 2.88Å; T274-I277 PolarHBondContact O-N 2.86Å; T274-D278 VanDerWaalsContact O-CG 3.23Å; T274-D278 PolarHBondContact O-N 2.87Å
275	K	93.2	Very high	87.6	Confident	133 Å²	133	79.2 Å²	79.2	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-59.3	-34	177.3	-72.2	174.8	-178.2	178	0	113.3	K271 V272 I273 T279	K271-K275 WeakPolarHBondContact O-CG 3.07Å; K271-K275 PolarHBondContact O-N 2.78Å; V272-K275 PolarHBondContact O-N 3.02Å; I273-K275 PolarHBondContact O-N 3.19Å; K275-T279 PolarHBondContact O-OG1 2.84Å
276	Q	93.1	Very high	89.4	Confident	5 Å²	5	74.6 Å²	74.6	2%	0.023	39%	0.391	C	S	.	.	H	α-helix	trans	-71.4	-38.1	175.9	-67.5	171.6	-12	0	0	111.5	V272 I273 T274 T279 Q481 F484 R489 Y497	V272-Q276 WeakPolarHBondContact O-CG 3.44Å; V272-Q276 PolarHBondContact O-N 3.27Å; I273-Q276 VanDerWaalsContact CD1-OE1 3.3Å; I273-Q276 WeakPolarHBondContact O-CB 3.44Å; I273-Q276 PolarHBondContact O-N 3.32Å; I273-Q276 VanDerWaalsContact O-N 3.11Å; T274-Q276 PolarHBondContact O-N 2.88Å; Q276-T279 CarbonylContact O-C 3.46Å; Q276-T279 PolarHBondContact O-N 3.37Å; Q276-Q481 PolarHBondContact NE2-O 3Å; Q276-F484 PolarHBondContact NE2-O 2.95Å; Q276-R489 HydrophobicContact CB-CB 4.28Å; Q276-Y497 PolarHBondContact OE1-OH 3.33Å; Q276-Y497 VanDerWaalsContact OE1-OH 3.06Å
277	I	93.6	Very high	90.5	Very high	61 Å²	61	76.3 Å²	76.3	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-36.1	175.7	-67.7	169.9	0	0	0	111	I273 T274 T279 L280 A492	I273-I277 HydrophobicContact CG2-CD1 3.83Å; I273-I277 HydrophobicContact CG2-CG1 4.37Å; I273-I277 WeakPolarHBondContact O-CG1 3.22Å; I273-I277 PolarHBondContact O-N 3.2Å; T274-I277 PolarHBondContact O-N 2.86Å; I277-T279 PolarHBondContact O-N 3.09Å; I277-T279 VanDerWaalsContact O-N 3.17Å; I277-L280 VanDerWaalsContact O-CG 3.29Å; I277-L280 WeakPolarHBondContact O-CG 3.28Å; I277-A492 HydrophobicContact CG2-CB 4.1Å
278	D	94.1	Very high	91.6	Very high	118 Å²	118	74.6 Å²	74.6	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.9	177.5	-62.6	-23.9	0	0	0	113.1	T274	T274-D278 VanDerWaalsContact O-CG 3.23Å; T274-D278 PolarHBondContact O-N 2.87Å
279	T	93.1	Very high	92.4	Very high	38 Å²	38	71.2 Å²	71.2	23%	0.233	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	60.4	-174.9	55.8	0	0	0	0	111.3	K275 Q276 I277 R486 G487	K275-T279 PolarHBondContact O-OG1 2.84Å; Q276-T279 CarbonylContact O-C 3.46Å; Q276-T279 PolarHBondContact O-N 3.37Å; I277-T279 PolarHBondContact O-N 3.09Å; I277-T279 VanDerWaalsContact O-N 3.17Å; T279-R486 HydrophobicContact CG2-CB 4.08Å; T279-R486 HydrophobicContact CG2-CG 3.95Å; T279-R486 VanDerWaalsContact OG1-CA 3.27Å; T279-R486 WeakPolarHBondContact OG1-CA 3.45Å; T279-G487 WeakPolarHBondContact O-CA 3.43Å; T279-G487 PolarHBondContact O-N 3.47Å; T279-G487 PolarHBondContact OG1-N 3.43Å
280	L	95	Very high	92.9	Very high	65 Å²	65	72 Å²	72	34%	0.34	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-68.2	155.4	176.7	-58.2	-178.3	0	0	0	112.6	I277 R489 A492	I277-L280 VanDerWaalsContact O-CG 3.29Å; I277-L280 WeakPolarHBondContact O-CG 3.28Å; L280-R489 WeakPolarHBondContact CA-O 3.3Å; L280-R489 HydrophobicContact CD2-CB 4.08Å; L280-R489 HydrophobicContact CD2-CG 4.06Å; L280-A492 HydrophobicContact CD1-CB 4.22Å
281	V	93.8	Very high	93.3	Very high	6 Å²	6	72.6 Å²	72.6	4%	0.036	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-64.2	138.3	164.3	177.9	0	0	0	0	109.6	E285 R286 L289 G487 R489 L490 V498	V281-E285 HydrophobicContact CG1-CB 3.47Å; V281-E285 VanDerWaalsContact CG1-CB 3.47Å; V281-R286 HydrophobicContact CG1-CB 4.39Å; V281-R286 PolarHBondContact O-NH2 2.84Å; V281-L289 HydrophobicContact CG1-CD1 4.37Å; V281-G487 WeakPolarHBondContact CG2-O 3.37Å; V281-R489 PolarHBondContact N-O 3.46Å; V281-L490 HydrophobicContact CB-CD2 3.93Å; V281-L490 HydrophobicContact CG1-CD2 4.04Å; V281-L490 HydrophobicContact CG2-CD2 3.85Å; V281-V498 HydrophobicContact CG2-CG1 3.8Å
282	S	93.5	Very high	93.5	Very high	53 Å²	53	68.6 Å²	68.6	37%	0.371	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-60	154.8	177.9	68.5	0	0	0	0	111.6	F284 E285 R286	S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 2.99Å; S282-E285 WeakPolarHBondContact CB-OE2 3.28Å; S282-E285 PolarHBondContact N-OE2 3.05Å; S282-E285 PolarHBondContact O-N 2.92Å; S282-E285 WeakPolarHBondContact OG-CB 3.46Å; S282-E285 VanDerWaalsContact OG-CD 3.28Å; S282-E285 WeakPolarHBondContact OG-CG 3.46Å; S282-E285 PolarHBondContact OG-N 3.08Å; S282-E285 PolarHBondContact OG-OE2 2.68Å; S282-R286 VanDerWaalsContact O-CB 3.31Å; S282-R286 WeakPolarHBondContact O-CB 3.33Å; S282-R286 PolarHBondContact O-N 3.21Å
283	S	92.7	Very high	93.7	Very high	88 Å²	88	67.2 Å²	67.2	62%	0.615	35%	0.353	S	S	*	.	H	α-helix	trans	-59.3	-38.6	176.7	53.3	0	0	0	0	112.1	R286 T287	S283-R286 PolarHBondContact O-N 3.47Å; S283-T287 PolarHBondContact O-N 3.3Å; S283-T287 PolarHBondContact O-OG1 2.75Å; S283-T287 VanDerWaalsContact O-OG1 3.07Å
284	F	94.8	Very high	93.9	Very high	155 Å²	155	67 Å²	67	68%	0.68	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-50.9	177.1	176.2	-98	0	0	0	112.3	S282 R286 T287 K288	S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 2.99Å; F284-R286 VanDerWaalsContact C-N 3.32Å; F284-R286 PolarHBondContact O-N 2.83Å; F284-T287 PolarHBondContact O-N 2.89Å; F284-K288 PolarHBondContact O-N 3.48Å
285	E	93.4	Very high	94.1	Very high	101 Å²	101	70 Å²	70	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-41.3	178.2	-72.7	167.7	135.5	0	0	111.4	V281 S282 K288 L289	V281-E285 HydrophobicContact CG1-CB 3.47Å; V281-E285 VanDerWaalsContact CG1-CB 3.47Å; S282-E285 WeakPolarHBondContact CB-OE2 3.28Å; S282-E285 PolarHBondContact N-OE2 3.05Å; S282-E285 PolarHBondContact O-N 2.92Å; S282-E285 WeakPolarHBondContact OG-CB 3.46Å; S282-E285 VanDerWaalsContact OG-CD 3.28Å; S282-E285 WeakPolarHBondContact OG-CG 3.46Å; S282-E285 PolarHBondContact OG-N 3.08Å; S282-E285 PolarHBondContact OG-OE2 2.68Å; E285-K288 PolarHBondContact O-N 2.97Å; E285-L289 VanDerWaalsContact O-CG 3.23Å; E285-L289 WeakPolarHBondContact O-CG 3.49Å; E285-L289 PolarHBondContact O-N 3.45Å
286	R	94.5	Very high	94.2	Very high	61 Å²	61	64 Å²	64	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-49	176.9	-170.7	-169.8	-36	172	6.7	111.9	V281 S282 S283 F284 K288 L289 F290 L490	V281-R286 HydrophobicContact CG1-CB 4.39Å; V281-R286 PolarHBondContact O-NH2 2.84Å; S282-R286 VanDerWaalsContact O-CB 3.31Å; S282-R286 WeakPolarHBondContact O-CB 3.33Å; S282-R286 PolarHBondContact O-N 3.21Å; S283-R286 PolarHBondContact O-N 3.47Å; F284-R286 VanDerWaalsContact C-N 3.32Å; F284-R286 PolarHBondContact O-N 2.83Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 2.95Å; R286-L289 PolarHBondContact O-N 2.71Å; R286-F290 HydrophobicContact CG-CD2 4.21Å; R286-F290 HydrophobicContact CG-CE2 3.45Å; R286-F290 VanDerWaalsContact CG-CE2 3.45Å; R286-F290 HydrophobicContact CG-CZ 3.65Å; R286-F290 WeakPolarHBondContact O-CD2 3.39Å; R286-F290 WeakPolarHBondContact O-CG 3.34Å; R286-F290 PolarHBondContact O-N 3.39Å; R286-F290 VanDerWaalsContact O-N 3.15Å; R286-L490 HydrophobicContact CG-CD2 4.19Å; R286-L490 PolarHBondContact NE-O 3.16Å; R286-L490 VanDerWaalsContact NE-O 3.08Å; R286-L490 PolarHBondContact NH2-O 2.81Å
287	T	94.5	Very high	94.4	Very high	86 Å²	86	65.4 Å²	65.4	53%	0.528	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-46.3	175.9	-61.6	0	0	0	0	110.9	S283 F284 L289 F290 T291	S283-T287 PolarHBondContact O-N 3.3Å; S283-T287 PolarHBondContact O-OG1 2.75Å; S283-T287 VanDerWaalsContact O-OG1 3.07Å; F284-T287 PolarHBondContact O-N 2.89Å; T287-L289 VanDerWaalsContact C-N 3.34Å; T287-L289 PolarHBondContact O-N 3.06Å; T287-F290 PolarHBondContact O-N 3.1Å; T287-T291 PolarHBondContact O-N 3.31Å; T287-T291 PolarHBondContact O-OG1 2.92Å
288	K	96	Very high	94.6	Very high	104 Å²	104	64.3 Å²	64.3	45%	0.452	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-43.8	177.5	-176.3	179.6	179.4	-179.9	0	112.3	F284 E285 R286 F290 T291 E292	F284-K288 PolarHBondContact O-N 3.48Å; E285-K288 PolarHBondContact O-N 2.97Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 2.95Å; K288-F290 VanDerWaalsContact C-N 3.34Å; K288-F290 PolarHBondContact O-N 3.39Å; K288-T291 PolarHBondContact O-N 3.32Å; K288-E292 VanDerWaalsContact CE-OE1 3.24Å; K288-E292 WeakPolarHBondContact CE-OE1 3.14Å; K288-E292 HydrophobicContact CG-CG 4.25Å; K288-E292 VanDerWaalsContact O-CB 3.31Å; K288-E292 WeakPolarHBondContact O-CB 3.31Å; K288-E292 WeakPolarHBondContact O-CG 3.33Å; K288-E292 PolarHBondContact O-N 2.69Å
289	L	95.4	Very high	94.7	Very high	22 Å²	22	64.5 Å²	64.5	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-41.7	179.7	-72.6	164.8	0	0	0	112.1	V281 E285 R286 T287 C293 L490 V498 L504	V281-L289 HydrophobicContact CG1-CD1 4.37Å; E285-L289 VanDerWaalsContact O-CG 3.23Å; E285-L289 WeakPolarHBondContact O-CG 3.49Å; E285-L289 PolarHBondContact O-N 3.45Å; R286-L289 PolarHBondContact O-N 2.71Å; T287-L289 VanDerWaalsContact C-N 3.34Å; T287-L289 PolarHBondContact O-N 3.06Å; L289-C293 PolarHBondContact O-N 2.95Å; L289-C293 VanDerWaalsContact O-N 3.14Å; L289-L490 HydrophobicContact CD1-CD2 3.83Å; L289-V498 HydrophobicContact CD1-CB 3.83Å; L289-V498 HydrophobicContact CD1-CG1 4.19Å; L289-V498 HydrophobicContact CD1-CG2 3.61Å; L289-V498 HydrophobicContact CD2-CG2 3.6Å; L289-V498 HydrophobicContact CG-CG2 4.25Å; L289-L504 HydrophobicContact CB-CD2 4.42Å
290	F	94.1	Very high	94.9	Very high	42 Å²	42	62.9 Å²	62.9	18%	0.184	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-45.2	176.7	-59.3	-29	0	0	0	111.8	R286 T287 K288 E292 C293 N448 L490 F491 L504	R286-F290 HydrophobicContact CG-CD2 4.21Å; R286-F290 HydrophobicContact CG-CE2 3.45Å; R286-F290 VanDerWaalsContact CG-CE2 3.45Å; R286-F290 HydrophobicContact CG-CZ 3.65Å; R286-F290 WeakPolarHBondContact O-CD2 3.39Å; R286-F290 WeakPolarHBondContact O-CG 3.34Å; R286-F290 PolarHBondContact O-N 3.39Å; R286-F290 VanDerWaalsContact O-N 3.15Å; T287-F290 PolarHBondContact O-N 3.1Å; K288-F290 VanDerWaalsContact C-N 3.34Å; K288-F290 PolarHBondContact O-N 3.39Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 3.42Å; F290-C293 PolarHBondContact O-N 3.44Å; F290-N448 HydrophobicContact CD1-CB 3.93Å; F290-N448 HydrophobicContact CE1-CB 4.14Å; F290-N448 HydrophobicContact CG-CB 4.25Å; F290-N448 WeakPolarHBondContact CZ-OD1 3.28Å; F290-L490 HydrophobicContact CE1-CD1 4.08Å; F290-L490 HydrophobicContact CZ-CD1 4.31Å; F290-F491 HydrophobicContact CE2-CE2 4.48Å; F290-F491 AromaticContact CE2-CZ 3.82Å; F290-F491 HydrophobicContact CE2-CZ 3.82Å; F290-F491 AromaticContact CZ-CE2 3.8Å; F290-F491 HydrophobicContact CZ-CE2 3.8Å; F290-F491 AromaticContact CZ-CZ 3.59Å; F290-F491 HydrophobicContact CZ-CZ 3.59Å; F290-L504 HydrophobicContact CD1-CD1 3.83Å; F290-L504 HydrophobicContact CE1-CD1 3.72Å
291	T	93.6	Very high	95	Very high	113 Å²	113	60.3 Å²	60.3	69%	0.693	31%	0.305	S	S	*	.	H	α-helix	trans	-64.2	-34.9	177.8	-55.1	0	0	0	0	112.8	T287 K288	T287-T291 PolarHBondContact O-N 3.31Å; T287-T291 PolarHBondContact O-OG1 2.92Å; K288-T291 PolarHBondContact O-N 3.32Å
292	E	95	Very high	95.1	Very high	46 Å²	46	67.5 Å²	67.5	22%	0.215	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.6	-177.5	-63.7	-170.8	-177.4	0	0	114.1	K288 F290 G294 K295 N296 R299	K288-E292 VanDerWaalsContact CE-OE1 3.24Å; K288-E292 WeakPolarHBondContact CE-OE1 3.14Å; K288-E292 HydrophobicContact CG-CG 4.25Å; K288-E292 VanDerWaalsContact O-CB 3.31Å; K288-E292 WeakPolarHBondContact O-CB 3.31Å; K288-E292 WeakPolarHBondContact O-CG 3.33Å; K288-E292 PolarHBondContact O-N 2.69Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 3.42Å; E292-G294 PolarHBondContact O-N 3.1Å; E292-K295 HydrophobicContact CB-CB 4.36Å; E292-K295 HydrophobicContact CG-CD 4.33Å; E292-K295 CarbonylContact O-C 3.57Å; E292-K295 WeakPolarHBondContact O-CA 3.47Å; E292-K295 WeakPolarHBondContact O-CB 3.28Å; E292-K295 PolarHBondContact O-N 3.17Å; E292-N296 PolarHBondContact O-N 2.97Å; E292-N296 PolarHBondContact O-ND2 2.95Å; E292-R299 IonicContact OE2-NH2 3.9Å; E292-R299 PolarHBondContact OE2-NH2 2.77Å
293	C	92.7	Very high	95.2	Very high	18 Å²	18	72.4 Å²	72.4	12%	0.122	35%	0.346	C	S	.	.	H	α-helix	trans	-50.7	-51	-173.9	-177.1	0	0	0	0	112.8	L289 F290 K295 N296 W297	L289-C293 PolarHBondContact O-N 2.95Å; L289-C293 VanDerWaalsContact O-N 3.14Å; F290-C293 PolarHBondContact O-N 3.44Å; C293-K295 VanDerWaalsContact C-N 3.34Å; C293-K295 PolarHBondContact O-N 2.93Å; C293-N296 PolarHBondContact O-N 3.49Å; C293-W297 PolarHBondContact O-N 3.29Å
294	G	94.1	Very high	95.2	Very high	20 Å²	20	69.6 Å²	69.6	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-37.6	176.6	0	0	0	0	0	113.7	E292 W297 D298	E292-G294 PolarHBondContact O-N 3.1Å; G294-W297 PolarHBondContact O-N 3.42Å; G294-D298 PolarHBondContact O-N 2.69Å
295	K	96.4	Very high	95.2	Very high	135 Å²	135	63.1 Å²	63.1	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-67.9	-36.5	176	-63.8	-179.4	-177.7	173.6	0	111.9	E292 C293 D298 R299	E292-K295 HydrophobicContact CB-CB 4.36Å; E292-K295 HydrophobicContact CG-CD 4.33Å; E292-K295 CarbonylContact O-C 3.57Å; E292-K295 WeakPolarHBondContact O-CA 3.47Å; E292-K295 WeakPolarHBondContact O-CB 3.28Å; E292-K295 PolarHBondContact O-N 3.17Å; C293-K295 VanDerWaalsContact C-N 3.34Å; C293-K295 PolarHBondContact O-N 2.93Å; K295-D298 PolarHBondContact O-N 3.36Å; K295-R299 WeakPolarHBondContact O-CB 3.19Å; K295-R299 WeakPolarHBondContact O-CG 3.35Å; K295-R299 PolarHBondContact O-N 2.97Å
296	N	95.6	Very high	95.1	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-43.6	177	-68	-28.8	0	0	0	110.6	E292 C293 R299 F300 G502	E292-N296 PolarHBondContact O-N 2.97Å; E292-N296 PolarHBondContact O-ND2 2.95Å; C293-N296 PolarHBondContact O-N 3.49Å; N296-R299 PolarHBondContact O-N 2.94Å; N296-R299 PolarHBondContact OD1-NH1 2.95Å; N296-R299 PolarHBondContact OD1-NH2 2.72Å; N296-F300 WeakPolarHBondContact O-CB 3.19Å; N296-F300 PolarHBondContact O-N 3.31Å; N296-G502 PolarHBondContact ND2-O 2.83Å
297	W	97.3	Very high	94.9	Very high	35 Å²	35	69 Å²	69	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-42.5	173.1	-79.5	110	0	0	0	112.7	C293 G294 R299 F300 Y301 F309 I381 A446 T503	C293-W297 PolarHBondContact O-N 3.29Å; G294-W297 PolarHBondContact O-N 3.42Å; W297-R299 PolarHBondContact O-N 3.35Å; W297-F300 HydrophobicContact CE3-CD1 4.01Å; W297-F300 HydrophobicContact CE3-CG 4.34Å; W297-F300 HydrophobicContact CZ3-CD1 4.02Å; W297-F300 HydrophobicContact CZ3-CE1 4.17Å; W297-F300 HydrophobicContact CZ3-CG 4.43Å; W297-F300 WeakPolarHBondContact O-CB 3.32Å; W297-F300 PolarHBondContact O-N 2.85Å; W297-F300 VanDerWaalsContact O-N 3.14Å; W297-Y301 HydrophobicContact CB-CE2 4.4Å; W297-Y301 AromaticContact CE3-CE2 3.81Å; W297-Y301 HydrophobicContact CE3-CE2 3.81Å; W297-Y301 AromaticContact CE3-CZ 3.98Å; W297-Y301 WeakPolarHBondContact O-CD2 3.37Å; W297-Y301 PolarHBondContact O-N 2.99Å; W297-F309 HydrophobicContact CZ3-CE2 4.44Å; W297-F309 HydrophobicContact CZ3-CZ 4.48Å; W297-I381 HydrophobicContact CB-CG2 4Å; W297-I381 HydrophobicContact CG-CG2 4.19Å; W297-A446 HydrophobicContact CZ2-CB 3.58Å; W297-T503 HydrophobicContact CD2-CG2 3.86Å; W297-T503 HydrophobicContact CE3-CG2 4.07Å; W297-T503 HydrophobicContact CG-CG2 4.35Å; W297-T503 HydrophobicContact CH2-CG2 4.3Å; W297-T503 HydrophobicContact CZ2-CG2 4.09Å; W297-T503 HydrophobicContact CZ3-CG2 4.29Å
298	D	97.2	Very high	94.6	Very high	37 Å²	37	69.3 Å²	69.3	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-42.1	176.3	-160.9	81.2	0	0	0	112.7	G294 K295 F300 Y301 K302 S382 R384	G294-D298 PolarHBondContact O-N 2.69Å; K295-D298 PolarHBondContact O-N 3.36Å; D298-F300 VanDerWaalsContact C-N 3.33Å; D298-F300 PolarHBondContact O-N 3.23Å; D298-Y301 PolarHBondContact O-N 2.86Å; D298-K302 WeakPolarHBondContact O-CB 3.14Å; D298-K302 PolarHBondContact O-N 2.88Å; D298-S382 WeakPolarHBondContact CA-OG 3.37Å; D298-S382 PolarHBondContact OD1-OG 3.43Å; D298-R384 WeakPolarHBondContact OD1-CB 3.22Å; D298-R384 PolarHBondContact OD1-N 3.36Å; D298-R384 IonicContact OD1-NE 3.21Å; D298-R384 IonicContact OD2-CZ 3.68Å; D298-R384 IonicContact OD2-NE 2.68Å; D298-R384 PolarHBondContact OD2-NE 3.06Å; D298-R384 IonicContact OD2-NH2 3.97Å; D298-R384 PolarHBondContact OD2-NH2 3.44Å
299	R	97.1	Very high	94.2	Very high	122 Å²	122	66.6 Å²	66.6	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-40.5	173	-79.1	-173.8	-105.1	130.5	-7.6	111.9	E292 K295 N296 W297 K302 R303	E292-R299 IonicContact OE2-NH2 3.9Å; E292-R299 PolarHBondContact OE2-NH2 2.77Å; K295-R299 WeakPolarHBondContact O-CB 3.19Å; K295-R299 WeakPolarHBondContact O-CG 3.35Å; K295-R299 PolarHBondContact O-N 2.97Å; N296-R299 PolarHBondContact O-N 2.94Å; N296-R299 PolarHBondContact OD1-NH1 2.95Å; N296-R299 PolarHBondContact OD1-NH2 2.72Å; W297-R299 PolarHBondContact O-N 3.35Å; R299-K302 WeakPolarHBondContact O-CB 3.48Å; R299-K302 PolarHBondContact O-N 3.09Å; R299-R303 PolarHBondContact O-N 3.19Å; R299-R303 VanDerWaalsContact O-N 3.09Å
300	F	96.1	Very high	93.7	Very high	5 Å²	5	74.4 Å²	74.4	2%	0.022	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-50	176.2	171.3	-87	0	0	0	111.1	N296 W297 D298 K302 R303 N304 F308 F309 D501 T503	N296-F300 WeakPolarHBondContact O-CB 3.19Å; N296-F300 PolarHBondContact O-N 3.31Å; W297-F300 HydrophobicContact CE3-CD1 4.01Å; W297-F300 HydrophobicContact CE3-CG 4.34Å; W297-F300 HydrophobicContact CZ3-CD1 4.02Å; W297-F300 HydrophobicContact CZ3-CE1 4.17Å; W297-F300 HydrophobicContact CZ3-CG 4.43Å; W297-F300 WeakPolarHBondContact O-CB 3.32Å; W297-F300 PolarHBondContact O-N 2.85Å; W297-F300 VanDerWaalsContact O-N 3.14Å; D298-F300 VanDerWaalsContact C-N 3.33Å; D298-F300 PolarHBondContact O-N 3.23Å; F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 3.07Å; F300-R303 PolarHBondContact O-N 3.18Å; F300-N304 VanDerWaalsContact CD2-ND2 3.29Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.25Å; F300-N304 VanDerWaalsContact CE2-ND2 3.25Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.45Å; F300-N304 WeakPolarHBondContact O-CB 3.22Å; F300-N304 PolarHBondContact O-N 2.95Å; F300-N304 PolarHBondContact O-ND2 3.49Å; F300-F308 HydrophobicContact CE1-CD1 4.49Å; F300-F308 HydrophobicContact CE2-CD1 4.06Å; F300-F308 AromaticContact CE2-CD2 3.99Å; F300-F308 HydrophobicContact CE2-CD2 3.99Å; F300-F308 HydrophobicContact CE2-CE1 4.03Å; F300-F308 AromaticContact CE2-CE2 3.98Å; F300-F308 HydrophobicContact CE2-CE2 3.98Å; F300-F308 HydrophobicContact CE2-CG 4.02Å; F300-F308 AromaticContact CE2-CZ 3.99Å; F300-F308 HydrophobicContact CE2-CZ 3.99Å; F300-F308 HydrophobicContact CZ-CB 3.98Å; F300-F308 AromaticContact CZ-CD1 3.43Å; F300-F308 HydrophobicContact CZ-CD1 3.43Å; F300-F308 VanDerWaalsContact CZ-CD1 3.43Å; F300-F308 AromaticContact CZ-CD2 3.98Å; F300-F308 HydrophobicContact CZ-CD2 3.98Å; F300-F308 AromaticContact CZ-CE1 3.78Å; F300-F308 HydrophobicContact CZ-CE1 3.78Å; F300-F308 HydrophobicContact CZ-CE2 4.3Å; F300-F308 AromaticContact CZ-CG 3.52Å; F300-F308 HydrophobicContact CZ-CG 3.52Å; F300-F308 HydrophobicContact CZ-CZ 4.2Å; F300-F309 HydrophobicContact CE1-CD2 4.35Å; F300-F309 AromaticContact CE1-CE2 3.59Å; F300-F309 HydrophobicContact CE1-CE2 3.59Å; F300-F309 HydrophobicContact CE1-CZ 4.21Å; F300-F309 HydrophobicContact CZ-CD2 4.44Å; F300-F309 AromaticContact CZ-CE2 3.65Å; F300-F309 HydrophobicContact CZ-CE2 3.65Å; F300-F309 AromaticContact CZ-CZ 3.87Å; F300-F309 HydrophobicContact CZ-CZ 3.87Å; F300-D501 VanDerWaalsContact CD2-OD2 3.26Å; F300-D501 WeakPolarHBondContact CD2-OD2 3.44Å; F300-T503 HydrophobicContact CB-CG2 4.27Å
301	Y	96.9	Very high	93.5	Very high	11 Å²	11	75.2 Å²	75.2	4%	0.043	35%	0.348	C	S	.	.	H	α-helix	trans	-68.3	-32.8	178.7	-68.1	-60.9	0	0	0	112.3	W297 D298 R303 N304 G305 G339 V340 A385	W297-Y301 HydrophobicContact CB-CE2 4.4Å; W297-Y301 AromaticContact CE3-CE2 3.81Å; W297-Y301 HydrophobicContact CE3-CE2 3.81Å; W297-Y301 AromaticContact CE3-CZ 3.98Å; W297-Y301 WeakPolarHBondContact O-CD2 3.37Å; W297-Y301 PolarHBondContact O-N 2.99Å; D298-Y301 PolarHBondContact O-N 2.86Å; Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å; Y301-N304 PolarHBondContact O-N 3.47Å; Y301-G305 WeakPolarHBondContact O-CA 3.3Å; Y301-G305 PolarHBondContact O-N 3.14Å; Y301-G339 WeakPolarHBondContact OH-CA 3.49Å; Y301-V340 HydrophobicContact CD1-CG1 3.64Å; Y301-V340 HydrophobicContact CE1-CG1 3.92Å; Y301-V340 HydrophobicContact CG-CG1 4.41Å; Y301-A385 HydrophobicContact CD2-CB 3.57Å; Y301-A385 HydrophobicContact CE2-CB 3.52Å; Y301-A385 HydrophobicContact CG-CB 4.08Å
302	K	96.8	Very high	93.3	Very high	156 Å²	156	71.6 Å²	71.6	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-58.4	-42.4	173.3	-173.4	178.6	176.9	177.5	0	111.7	D298 R299 F300 R384	D298-K302 WeakPolarHBondContact O-CB 3.14Å; D298-K302 PolarHBondContact O-N 2.88Å; R299-K302 WeakPolarHBondContact O-CB 3.48Å; R299-K302 PolarHBondContact O-N 3.09Å; F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 3.07Å; K302-R384 VanDerWaalsContact N-CD 3.28Å
303	R	95	Very high	92.7	Very high	157 Å²	157	74 Å²	74	59%	0.592	33%	0.333	S	S	*	.	H	α-helix	trans	-76.1	-37.3	-178.3	-174.7	175.5	63.1	172.2	-1.1	112.5	R299 F300 Y301 D501	R299-R303 PolarHBondContact O-N 3.19Å; R299-R303 VanDerWaalsContact O-N 3.09Å; F300-R303 PolarHBondContact O-N 3.18Å; Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å; R303-D501 VanDerWaalsContact NH2-CB 3.34Å; R303-D501 IonicContact NH2-OD2 2.74Å; R303-D501 PolarHBondContact NH2-OD2 2.88Å
304	N	92.9	Very high	92.2	Very high	28 Å²	28	75.9 Å²	75.9	15%	0.15	34%	0.337	C	S	.	.	H	α-helix	trans	-106.1	-31.6	-166	-70.3	-59.6	0	0	0	114.7	F300 Y301 V306 R307 F308	F300-N304 VanDerWaalsContact CD2-ND2 3.29Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.25Å; F300-N304 VanDerWaalsContact CE2-ND2 3.25Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.45Å; F300-N304 WeakPolarHBondContact O-CB 3.22Å; F300-N304 PolarHBondContact O-N 2.95Å; F300-N304 PolarHBondContact O-ND2 3.49Å; Y301-N304 PolarHBondContact O-N 3.47Å; N304-V306 PolarHBondContact O-N 3.42Å; N304-R307 PolarHBondContact O-N 2.99Å; N304-F308 HydrophobicContact CB-CB 3.78Å
305	G	94.4	Very high	91.3	Very high	20 Å²	20	75 Å²	75	21%	0.206	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	50.9	-131.9	-168.9	0	0	0	0	0	111.9	Y301 R307	Y301-G305 WeakPolarHBondContact O-CA 3.3Å; Y301-G305 PolarHBondContact O-N 3.14Å; G305-R307 VanDerWaalsContact C-N 3.32Å; G305-R307 PolarHBondContact O-N 2.88Å
306	V	92.3	Very high	90.4	Very high	68 Å²	68	69.4 Å²	69.4	41%	0.412	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-81.9	-1	-179.1	-58.5	0	0	0	0	115.2	N304 V340 I388	N304-V306 PolarHBondContact O-N 3.42Å; V306-V340 HydrophobicContact CG1-CB 4.28Å; V306-V340 HydrophobicContact CG1-CG2 4.19Å; V306-I388 HydrophobicContact CG1-CG2 3.67Å
307	R	89.8	Confident	89.6	Confident	217 Å²	217	74 Å²	74	82%	0.819	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-89.6	-19	-165.3	-68	177.7	-92.1	-166.7	-10.1	114.8	N304 G305	N304-R307 PolarHBondContact O-N 2.99Å; G305-R307 VanDerWaalsContact C-N 3.32Å; G305-R307 PolarHBondContact O-N 2.88Å
308	F	87.8	Confident	88.8	Confident	92 Å²	92	74.1 Å²	74.1	40%	0.404	33%	0.328	S	S	.	.	S	Bend	trans	-81.3	-50.9	-170.7	-175	-81.8	0	0	0	112.8	F300 N304	F300-F308 HydrophobicContact CE1-CD1 4.49Å; F300-F308 HydrophobicContact CE2-CD1 4.06Å; F300-F308 AromaticContact CE2-CD2 3.99Å; F300-F308 HydrophobicContact CE2-CD2 3.99Å; F300-F308 HydrophobicContact CE2-CE1 4.03Å; F300-F308 AromaticContact CE2-CE2 3.98Å; F300-F308 HydrophobicContact CE2-CE2 3.98Å; F300-F308 HydrophobicContact CE2-CG 4.02Å; F300-F308 AromaticContact CE2-CZ 3.99Å; F300-F308 HydrophobicContact CE2-CZ 3.99Å; F300-F308 HydrophobicContact CZ-CB 3.98Å; F300-F308 AromaticContact CZ-CD1 3.43Å; F300-F308 HydrophobicContact CZ-CD1 3.43Å; F300-F308 VanDerWaalsContact CZ-CD1 3.43Å; F300-F308 AromaticContact CZ-CD2 3.98Å; F300-F308 HydrophobicContact CZ-CD2 3.98Å; F300-F308 AromaticContact CZ-CE1 3.78Å; F300-F308 HydrophobicContact CZ-CE1 3.78Å; F300-F308 HydrophobicContact CZ-CE2 4.3Å; F300-F308 AromaticContact CZ-CG 3.52Å; F300-F308 HydrophobicContact CZ-CG 3.52Å; F300-F308 HydrophobicContact CZ-CZ 4.2Å; N304-F308 HydrophobicContact CB-CB 3.78Å
309	F	86.8	Confident	88.2	Confident	48 Å²	48	72.3 Å²	72.3	21%	0.211	32%	0.319	C	S	.	.	S	Bend	trans	-90	141.7	177.3	-61.8	-65.2	0	0	0	110.1	W297 F300 N342	W297-F309 HydrophobicContact CZ3-CE2 4.44Å; W297-F309 HydrophobicContact CZ3-CZ 4.48Å; F300-F309 HydrophobicContact CE1-CD2 4.35Å; F300-F309 AromaticContact CE1-CE2 3.59Å; F300-F309 HydrophobicContact CE1-CE2 3.59Å; F300-F309 HydrophobicContact CE1-CZ 4.21Å; F300-F309 HydrophobicContact CZ-CD2 4.44Å; F300-F309 AromaticContact CZ-CE2 3.65Å; F300-F309 HydrophobicContact CZ-CE2 3.65Å; F300-F309 AromaticContact CZ-CZ 3.87Å; F300-F309 HydrophobicContact CZ-CZ 3.87Å; F309-N342 HydrophobicContact CB-CB 4.32Å; F309-N342 WeakPolarHBondContact CB-OD1 3.46Å; F309-N342 PolarHBondContact O-ND2 3.48Å
310	K	85	Confident	87.5	Confident	185 Å²	185	68.1 Å²	68.1	80%	0.804	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-84	147.8	172.3	-65.1	-177.5	179.1	-179.1	0	109.8
311	D	91.2	Very high	86.9	Confident	59 Å²	59	68.8 Å²	68.8	32%	0.316	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-61	133.1	171.7	-74.8	-22.4	0	0	0	111.8	H313 N342 P346 R392	D311-H313 PolarHBondContact O-N 2.81Å; D311-N342 WeakPolarHBondContact CA-O 3.33Å; D311-N342 WeakPolarHBondContact OD1-CA 3.09Å; D311-N342 PolarHBondContact OD1-ND2 3.24Å; D311-P346 HydrophobicContact CB-CG 3.55Å; D311-R392 IonicContact OD1-NH2 2.67Å; D311-R392 IonicContact OD2-NH2 3Å
312	R	88.9	Confident	86.3	Confident	37 Å²	37	68.3 Å²	68.3	14%	0.14	31%	0.308	C	S	.	.			trans	-95.7	73.4	-168.5	-63.4	-180	175.1	89.1	-6.3	112	W314 T315 N342	R312-W314 HydrophobicContact CB-CZ2 4.2Å; R312-W314 HydrophobicContact CG-CZ2 4.15Å; R312-W314 PolarHBondContact O-N 3.24Å; R312-W314 VanDerWaalsContact O-N 3.11Å; R312-T315 HydrophobicContact CB-CG2 3.89Å; R312-T315 VanDerWaalsContact O-CG2 3.28Å; R312-T315 WeakPolarHBondContact O-CG2 3.46Å; R312-T315 PolarHBondContact O-OG1 3.31Å; R312-N342 PolarHBondContact N-O 3.04Å
313	H	83.2	Confident	85.1	Confident	96 Å²	96	62.8 Å²	62.8	44%	0.444	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	11.9	179.1	-57.9	-82.1	0	0	0	115.9	K136 D311 E349	K136-H313 PolarHBondContact NZ-O 3.43Å; D311-H313 PolarHBondContact O-N 2.81Å; H313-E349 IonicContact CE1-OE2 3.23Å
314	W	81.2	Confident	83.6	Confident	58 Å²	58	57 Å²	57	22%	0.22	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-9.4	179.1	52.7	-101.4	0	0	0	112.8	R312 T316 H317 E318 F319 I441 R472	R312-W314 HydrophobicContact CB-CZ2 4.2Å; R312-W314 HydrophobicContact CG-CZ2 4.15Å; R312-W314 PolarHBondContact O-N 3.24Å; R312-W314 VanDerWaalsContact O-N 3.11Å; W314-T316 PolarHBondContact O-N 2.82Å; W314-H317 WeakPolarHBondContact O-CB 3.36Å; W314-H317 PolarHBondContact O-N 2.99Å; W314-H317 VanDerWaalsContact O-N 3.16Å; W314-E318 HydrophobicContact CE3-CB 4.17Å; W314-E318 HydrophobicContact CE3-CG 4.14Å; W314-E318 HydrophobicContact CZ3-CB 4.48Å; W314-E318 PolarHBondContact O-N 3.34Å; W314-F319 HydrophobicContact CZ3-CD2 4.4Å; W314-F319 AromaticContact CZ3-CE2 3.95Å; W314-F319 HydrophobicContact CZ3-CE2 3.95Å; W314-I441 HydrophobicContact CH2-CG2 4.3Å; W314-R472 VanDerWaalsContact CH2-NH1 3.25Å
315	T	76.3	Confident	82	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-43.7	-164.2	52	0	0	0	0	113.2	R312 H317 E318 F319 F343	R312-T315 HydrophobicContact CB-CG2 3.89Å; R312-T315 VanDerWaalsContact O-CG2 3.28Å; R312-T315 WeakPolarHBondContact O-CG2 3.46Å; R312-T315 PolarHBondContact O-OG1 3.31Å; T315-H317 PolarHBondContact O-N 2.96Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-F319 WeakPolarHBondContact O-CB 3.39Å; T315-F319 PolarHBondContact O-N 2.85Å; T315-F343 HydrophobicContact CG2-CD2 3.32Å; T315-F343 HydrophobicContact CG2-CE2 3.21Å; T315-F343 HydrophobicContact CG2-CG 4.44Å; T315-F343 HydrophobicContact CG2-CZ 4.27Å
316	T	76	Confident	79.9	Confident	16 Å²	16	57.3 Å²	57.3	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-21.8	177.1	51	0	0	0	0	113.7	W314 L322 L323 L347	W314-T316 PolarHBondContact O-N 2.82Å; T316-L322 HydrophobicContact CG2-CB 4.27Å; T316-L323 HydrophobicContact CG2-CD2 4.22Å; T316-L347 HydrophobicContact CG2-CD1 3.69Å
317	H	78.8	Confident	77.9	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.486	28%	0.275	S	S	.	.	H	α-helix	trans	-80.1	-33.7	176	-64.4	-91.6	0	0	0	111.7	K136 W314 T315	K136-H317 PolarHBondContact NZ-CD2 3.34Å; K136-H317 VanDerWaalsContact NZ-CD2 3.25Å; K136-H317 PolarHBondContact NZ-NE2 2.85Å; W314-H317 WeakPolarHBondContact O-CB 3.36Å; W314-H317 PolarHBondContact O-N 2.99Å; W314-H317 VanDerWaalsContact O-N 3.16Å; T315-H317 PolarHBondContact O-N 2.96Å
318	E	80.3	Confident	76.1	Confident	36 Å²	36	57 Å²	57	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-93.9	-28	-176.9	-67.1	-174.8	-137.5	0	0	112.6	W314 T315 R472 R526 K532 Q549	W314-E318 HydrophobicContact CE3-CB 4.17Å; W314-E318 HydrophobicContact CE3-CG 4.14Å; W314-E318 HydrophobicContact CZ3-CB 4.48Å; W314-E318 PolarHBondContact O-N 3.34Å; T315-E318 PolarHBondContact O-N 3.29Å; E318-R472 VanDerWaalsContact CD-NH1 3.28Å; E318-R472 IonicContact OE1-NH1 3.24Å; E318-R472 PolarHBondContact OE1-NH1 3.36Å; E318-R472 IonicContact OE2-CZ 2.98Å; E318-R472 VanDerWaalsContact OE2-CZ 3.23Å; E318-R472 IonicContact OE2-NH1 3.55Å; E318-R472 PolarHBondContact OE2-NH1 2.98Å; E318-R472 IonicContact OE2-NH2 3.56Å; E318-R472 PolarHBondContact OE2-NH2 3.4Å; E318-R526 PolarHBondContact O-NH2 3.44Å; E318-K532 IonicContact OE1-NZ 2.83Å; E318-K532 PolarHBondContact OE1-NZ 3.01Å; E318-K532 IonicContact OE2-NZ 3.62Å; E318-Q549 PolarHBondContact O-NE2 2.64Å; E318-Q549 PolarHBondContact OE2-OE1 3.32Å; E318-Q549 VanDerWaalsContact OE2-OE1 3.07Å
319	F	85.4	Confident	74.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.			trans	-118.3	87.9	176.1	-60.4	-70.9	0	0	0	110.4	W314 T315 E321 L322 I441 L470 R472 Q549 V551	W314-F319 HydrophobicContact CZ3-CD2 4.4Å; W314-F319 AromaticContact CZ3-CE2 3.95Å; W314-F319 HydrophobicContact CZ3-CE2 3.95Å; T315-F319 WeakPolarHBondContact O-CB 3.39Å; T315-F319 PolarHBondContact O-N 2.85Å; F319-E321 WeakPolarHBondContact CA-OE2 3.25Å; F319-E321 PolarHBondContact O-N 3.2Å; F319-L322 HydrophobicContact CB-CD1 3.92Å; F319-L322 HydrophobicContact CB-CG 4.01Å; F319-L322 WeakPolarHBondContact O-CB 3.29Å; F319-L322 PolarHBondContact O-N 2.94Å; F319-I441 HydrophobicContact CE2-CD1 3.9Å; F319-I441 HydrophobicContact CZ-CD1 4.12Å; F319-L470 HydrophobicContact CB-CD1 4.01Å; F319-L470 HydrophobicContact CD1-CB 3.97Å; F319-L470 HydrophobicContact CD1-CD1 4.43Å; F319-L470 HydrophobicContact CD1-CD2 4.01Å; F319-L470 HydrophobicContact CD1-CG 4.35Å; F319-L470 HydrophobicContact CE1-CB 4.02Å; F319-L470 HydrophobicContact CG-CB 4.32Å; F319-L470 HydrophobicContact CG-CD1 4.23Å; F319-L470 HydrophobicContact CZ-CB 4.4Å; F319-R472 HydrophobicContact CZ-CB 4.36Å; F319-Q549 HydrophobicContact CE1-CG 3.59Å; F319-Q549 HydrophobicContact CZ-CG 3.63Å; F319-V551 HydrophobicContact CD1-CG2 4.09Å; F319-V551 HydrophobicContact CE1-CG2 4.28Å
320	T	83	Confident	73	Confident	34 Å²	34	59.3 Å²	59.3	21%	0.209	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.5	-19	177	53	0	0	0	0	112.1	L322 L323 S324	T320-L322 PolarHBondContact O-N 3.38Å; T320-L323 HydrophobicContact CG2-CD1 4.46Å; T320-L323 WeakPolarHBondContact O-CA 3.47Å; T320-L323 WeakPolarHBondContact O-CB 3.41Å; T320-L323 PolarHBondContact O-N 3.2Å; T320-S324 PolarHBondContact O-N 3.48Å; T320-S324 VanDerWaalsContact O-N 3.08Å
321	E	83.6	Confident	72.4	Confident	19 Å²	19	51.6 Å²	51.6	9%	0.089	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.4	-34.1	170.1	-62.5	79.5	-173.5	0	0	111.7	F319 L323 S324 L437 L470 R526 V551	F319-E321 WeakPolarHBondContact CA-OE2 3.25Å; F319-E321 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-S324 PolarHBondContact O-N 3.45Å; E321-S324 PolarHBondContact O-OG 2.83Å; E321-L437 HydrophobicContact CB-CD2 4.3Å; E321-L470 HydrophobicContact CB-CD1 4.25Å; E321-L470 HydrophobicContact CB-CD2 3.84Å; E321-L470 HydrophobicContact CG-CD2 3.87Å; E321-R526 IonicContact OE2-NH2 3.44Å; E321-V551 HydrophobicContact CG-CG1 4.35Å; E321-V551 WeakPolarHBondContact OE1-CG1 3.36Å; E321-V551 WeakPolarHBondContact OE1-CG2 3.47Å
322	L	82.7	Confident	72.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.1	-30.7	175.2	-62.5	173.5	0	0	0	112.4	T316 F319 T320 S324 L325 F343 L347 L437 T439 L470	T316-L322 HydrophobicContact CG2-CB 4.27Å; F319-L322 HydrophobicContact CB-CD1 3.92Å; F319-L322 HydrophobicContact CB-CG 4.01Å; F319-L322 WeakPolarHBondContact O-CB 3.29Å; F319-L322 PolarHBondContact O-N 2.94Å; T320-L322 PolarHBondContact O-N 3.38Å; L322-S324 VanDerWaalsContact C-N 3.35Å; L322-L325 HydrophobicContact CB-CD1 4.21Å; L322-L325 HydrophobicContact CD2-CD1 3.88Å; L322-L325 VanDerWaalsContact O-CB 3.27Å; L322-L325 WeakPolarHBondContact O-CB 3.39Å; L322-L325 WeakPolarHBondContact O-CD1 3.22Å; L322-L325 VanDerWaalsContact O-CG 3.31Å; L322-L325 WeakPolarHBondContact O-CG 3.27Å; L322-L325 PolarHBondContact O-N 3Å; L322-F343 HydrophobicContact CD1-CE2 4.49Å; L322-F343 HydrophobicContact CD1-CZ 3.92Å; L322-L347 HydrophobicContact CB-CD1 4.36Å; L322-L347 HydrophobicContact CD1-CD1 4.23Å; L322-L347 HydrophobicContact CD2-CD2 4.16Å; L322-L437 HydrophobicContact CD2-CD1 4.25Å; L322-T439 HydrophobicContact CD2-CG2 4.45Å; L322-L470 HydrophobicContact CD1-CD1 4.39Å; L322-L470 HydrophobicContact CD2-CD1 3.57Å; L322-L470 HydrophobicContact CG-CD1 3.69Å
323	L	71.7	Confident	72.2	Confident	40 Å²	40	47.7 Å²	47.7	21%	0.209	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-71.7	-36	174.2	-60.6	176.7	0	0	0	110.9	D207 T316 T320 E321 L325 H326	D207-L323 HydrophobicContact CB-CD1 3.78Å; T316-L323 HydrophobicContact CG2-CD2 4.22Å; T320-L323 HydrophobicContact CG2-CD1 4.46Å; T320-L323 WeakPolarHBondContact O-CA 3.47Å; T320-L323 WeakPolarHBondContact O-CB 3.41Å; T320-L323 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-L325 PolarHBondContact O-N 2.89Å; L323-H326 PolarHBondContact O-ND1 3.35Å
324	S	64.5	Low	72.8	Confident	34 Å²	34	43.1 Å²	43.1	24%	0.238	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.7	-9.8	178.4	82.2	0	0	0	0	113.2	T320 E321 L322 H326 N327 R331	T320-S324 PolarHBondContact O-N 3.48Å; T320-S324 VanDerWaalsContact O-N 3.08Å; E321-S324 PolarHBondContact O-N 3.45Å; E321-S324 PolarHBondContact O-OG 2.83Å; L322-S324 VanDerWaalsContact C-N 3.35Å; S324-H326 PolarHBondContact O-N 3.11Å; S324-N327 WeakPolarHBondContact O-CB 3.41Å; S324-N327 PolarHBondContact O-N 2.82Å; S324-R331 PolarHBondContact O-NH1 3.18Å; S324-R331 PolarHBondContact O-NH2 2.96Å; S324-R331 PolarHBondContact OG-NH1 3.25Å
325	L	59.2	Low	73.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-53	-16.7	178.8	-76.5	165.5	0	0	0	114.1	L322 L323 R331 M351 G372 I373 L437	L322-L325 HydrophobicContact CB-CD1 4.21Å; L322-L325 HydrophobicContact CD2-CD1 3.88Å; L322-L325 VanDerWaalsContact O-CB 3.27Å; L322-L325 WeakPolarHBondContact O-CB 3.39Å; L322-L325 WeakPolarHBondContact O-CD1 3.22Å; L322-L325 VanDerWaalsContact O-CG 3.31Å; L322-L325 WeakPolarHBondContact O-CG 3.27Å; L322-L325 PolarHBondContact O-N 3Å; L323-L325 PolarHBondContact O-N 2.89Å; L325-R331 HydrophobicContact CD2-CB 4.12Å; L325-R331 WeakPolarHBondContact O-CD 3.48Å; L325-M351 HydrophobicContact CD1-CE 3.53Å; L325-G372 CarbonylContact O-C 3.56Å; L325-I373 HydrophobicContact CB-CD1 3.88Å; L325-I373 HydrophobicContact CB-CG1 3.8Å; L325-I373 HydrophobicContact CD1-CD1 3.44Å; L325-I373 VanDerWaalsContact CD1-CD1 3.44Å; L325-I373 HydrophobicContact CD1-CG1 4.25Å; L325-I373 HydrophobicContact CD2-CD1 3.92Å; L325-I373 HydrophobicContact CD2-CG1 3.92Å; L325-I373 HydrophobicContact CG-CD1 3.89Å; L325-I373 HydrophobicContact CG-CG1 4.16Å; L325-L437 HydrophobicContact CD1-CD1 3.93Å; L325-L437 HydrophobicContact CD2-CD1 3.39Å; L325-L437 HydrophobicContact CD2-CG 4.16Å; L325-L437 HydrophobicContact CG-CD1 3.72Å
326	H	51.3	Low	74.6	Confident	56 Å²	56	40.5 Å²	40.5	26%	0.259	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-81.8	-15.4	175.2	-52.7	86.4	0	0	0	114.2	L323 S324 N371	L323-H326 PolarHBondContact O-ND1 3.35Å; S324-H326 PolarHBondContact O-N 3.11Å; H326-N371 VanDerWaalsContact CD2-CB 3.49Å; H326-N371 WeakPolarHBondContact CD2-CB 3.21Å; H326-N371 WeakPolarHBondContact NE2-CB 3.29Å; H326-N371 PolarHBondContact NE2-ND2 3.27Å
327	N	49.9	Very low	75.6	Confident	121 Å²	121	40.9 Å²	40.9	65%	0.647	22%	0.216	S	C	*	.	S	Bend	trans	-102.9	1.4	-165.8	-64.6	-9.8	0	0	0	115.3	S324	S324-N327 WeakPolarHBondContact O-CB 3.41Å; S324-N327 PolarHBondContact O-N 2.82Å
328	R	51.1	Low	76.5	Confident	157 Å²	157	36 Å²	36	59%	0.592	19%	0.194	S	C	*	.	S	Bend	trans	-135	143.1	162.9	-62.7	173.7	171	-176.1	-3.3	107.8	R331	R328-R331 HydrophobicContact CB-CG 3.89Å; R328-R331 VanDerWaalsContact O-CG 3.25Å; R328-R331 WeakPolarHBondContact O-CG 3.41Å
329	T	55.2	Low	77.3	Confident	112 Å²	112	34.6 Å²	34.6	69%	0.687	19%	0.189	S	C	*	.	S	Bend	trans	-134.5	128.3	-179.2	50.5	0	0	0	0	109.3
330	P	54.2	Low	77.9	Confident	76 Å²	76	34.6 Å²	34.6	49%	0.494	19%	0.189	S	C	.	.	S	Bend	cis	-75.2	143.1	-7.9	31.7	-33.6	0	0	0	111.6	S374	P330-S374 WeakPolarHBondContact CA-OG 3.44Å; P330-S374 VanDerWaalsContact CB-CB 3.44Å; P330-S374 WeakPolarHBondContact CB-OG 3.17Å
331	R	72.3	Confident	78.5	Confident	24 Å²	24	33 Å²	33	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	150.3	163.3	-85.5	178.9	-160.3	-148.3	5.7	112.3	S324 L325 R328 G372 I373 S374 R375 D436	S324-R331 PolarHBondContact O-NH1 3.18Å; S324-R331 PolarHBondContact O-NH2 2.96Å; S324-R331 PolarHBondContact OG-NH1 3.25Å; L325-R331 HydrophobicContact CD2-CB 4.12Å; L325-R331 WeakPolarHBondContact O-CD 3.48Å; R328-R331 HydrophobicContact CB-CG 3.89Å; R328-R331 VanDerWaalsContact O-CG 3.25Å; R328-R331 WeakPolarHBondContact O-CG 3.41Å; R331-G372 PolarHBondContact N-O 3.48Å; R331-I373 WeakPolarHBondContact O-CA 3.38Å; R331-I373 WeakPolarHBondContact O-CG2 3.45Å; R331-S374 PolarHBondContact O-N 3.36Å; R331-R375 PolarHBondContact O-N 3.26Å; R331-D436 VanDerWaalsContact CA-OD2 3.3Å; R331-D436 WeakPolarHBondContact CA-OD2 3.25Å; R331-D436 HydrophobicContact CG-CB 4.49Å
332	S	85.2	Confident	79.1	Confident	12 Å²	12	32.4 Å²	32.4	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136	179.8	53.4	0	0	0	0	111.3	R375 V435 D436 L437	S332-R375 VanDerWaalsContact CA-O 3.28Å; S332-R375 WeakPolarHBondContact CA-O 3.38Å; S332-V435 WeakPolarHBondContact O-CG1 3.45Å; S332-V435 VanDerWaalsContact OG-CA 3.25Å; S332-V435 WeakPolarHBondContact OG-CA 3.25Å; S332-D436 PolarHBondContact N-OD2 3.08Å; S332-D436 PolarHBondContact O-N 2.85Å; S332-D436 PolarHBondContact OG-N 2.89Å; S332-D436 PolarHBondContact OG-OD2 2.86Å; S332-L437 PolarHBondContact O-N 3.35Å
333	L	91.2	Very high	79.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.9	177.9	174.2	67.2	0	0	0	109.1	L344 L347 I373 R375 I376 Y377 L437 T439	L333-L344 HydrophobicContact CD2-CD1 4.06Å; L333-L347 HydrophobicContact CD2-CD2 3.61Å; L333-I373 HydrophobicContact CB-CG2 4.37Å; L333-R375 PolarHBondContact N-O 2.95Å; L333-I376 CarbonylContact O-C 3.57Å; L333-Y377 PolarHBondContact O-N 2.78Å; L333-L437 CarbonylContact C-O 3.52Å; L333-L437 WeakPolarHBondContact CA-O 3.32Å; L333-L437 HydrophobicContact CD1-CB 3.88Å; L333-T439 HydrophobicContact CD1-CG2 3.98Å
334	L	95.2	Very high	80.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.6	169.2	170	65	0	0	0	110.1	V336 Y377 F403 L413 L417 V435 L437 V438 T439 V462	L334-V336 HydrophobicContact CD2-CG2 3.95Å; L334-V336 HydrophobicContact CG-CG2 3.95Å; L334-Y377 CarbonylContact C-O 3.49Å; L334-Y377 VanDerWaalsContact CA-O 3.32Å; L334-Y377 WeakPolarHBondContact CA-O 3.39Å; L334-F403 HydrophobicContact CD1-CE1 4.38Å; L334-F403 HydrophobicContact CD1-CZ 4.3Å; L334-L413 HydrophobicContact CD2-CD1 4.08Å; L334-L413 HydrophobicContact CD2-CD2 3.9Å; L334-L413 HydrophobicContact CD2-CG 4.18Å; L334-L417 HydrophobicContact CD2-CD1 4.25Å; L334-V435 HydrophobicContact CB-CG1 3.82Å; L334-V435 HydrophobicContact CB-CG2 4.27Å; L334-L437 PolarHBondContact N-O 3.14Å; L334-V438 HydrophobicContact CB-CG2 4.2Å; L334-V438 HydrophobicContact CD2-CG2 4.24Å; L334-V438 CarbonylContact O-C 3.51Å; L334-V438 VanDerWaalsContact O-CA 3.28Å; L334-V438 WeakPolarHBondContact O-CA 3.44Å; L334-T439 PolarHBondContact O-N 2.75Å; L334-V462 HydrophobicContact CD2-CG2 4.12Å
335	E	97	Very high	82.1	Confident	6 Å²	6	29 Å²	29	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.6	166.5	-176	174.8	173.9	0	0	110.4	C338 F343 L344 Y377 A378 C379 T439	E335-C338 HydrophobicContact CB-CB 4.21Å; E335-C338 HydrophobicContact CG-CB 3.8Å; E335-C338 WeakPolarHBondContact OE1-CA 3.5Å; E335-F343 HydrophobicContact CG-CD1 4.41Å; E335-F343 WeakPolarHBondContact OE1-CB 3.44Å; E335-F343 WeakPolarHBondContact OE2-CD1 3.35Å; E335-L344 HydrophobicContact CB-CD1 4.49Å; E335-L344 WeakPolarHBondContact OE2-CB 3.34Å; E335-L344 PolarHBondContact OE2-N 3.04Å; E335-Y377 PolarHBondContact N-O 2.92Å; E335-A378 CarbonylContact O-C 3.59Å; E335-A378 WeakPolarHBondContact O-CA 3.37Å; E335-C379 PolarHBondContact O-N 2.9Å; E335-T439 WeakPolarHBondContact CA-OG1 3.31Å; E335-T439 WeakPolarHBondContact CB-OG1 3.17Å; E335-T439 WeakPolarHBondContact CG-OG1 3.28Å
336	V	98.4	Very high	83.6	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.1	172.4	176.7	0	0	0	0	108.8	L334 V407 L413 V438 T439 L440 V443 V459	L334-V336 HydrophobicContact CD2-CG2 3.95Å; L334-V336 HydrophobicContact CG-CG2 3.95Å; V336-V407 HydrophobicContact CG1-CB 4.4Å; V336-V407 HydrophobicContact CG1-CG1 3.75Å; V336-V407 HydrophobicContact CG1-CG2 4.2Å; V336-L413 HydrophobicContact CG2-CD2 4.2Å; V336-V438 HydrophobicContact CG2-CG1 3.81Å; V336-T439 PolarHBondContact N-O 2.67Å; V336-L440 HydrophobicContact CB-CD1 3.72Å; V336-L440 HydrophobicContact CG1-CD1 3.51Å; V336-V443 HydrophobicContact CG1-CG1 4.45Å; V336-V443 VanDerWaalsContact O-CG2 3.3Å; V336-V443 WeakPolarHBondContact O-CG2 3.45Å; V336-V459 HydrophobicContact CG2-CG2 4.31Å
337	G	98.1	Very high	85.4	Confident	23 Å²	23	26.7 Å²	26.7	24%	0.237	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	48	-174.7	0	0	0	0	0	112.1	G339 C379	G337-G339 PolarHBondContact O-N 3.45Å; G337-C379 CarbonylContact C-O 3.58Å; G337-C379 VanDerWaalsContact CA-O 3.28Å; G337-C379 WeakPolarHBondContact CA-O 3.43Å; G337-C379 PolarHBondContact N-O 3.34Å
338	C	97.6	Very high	87.2	Confident	4 Å²	4	21 Å²	21	3%	0.027	12%	0.115	C	C	.	.			trans	-66.8	-18.3	-171.2	64.8	0	0	0	0	114.4	E335 V340 G341 A378 C379 L389	E335-C338 HydrophobicContact CB-CB 4.21Å; E335-C338 HydrophobicContact CG-CB 3.8Å; E335-C338 WeakPolarHBondContact OE1-CA 3.5Å; C338-V340 PolarHBondContact O-N 3Å; C338-G341 PolarHBondContact O-N 2.91Å; C338-A378 HydrophobicContact CB-CB 3.82Å; C338-C379 PolarHBondContact N-O 3.24Å; C338-C379 VanDerWaalsContact SG-C 3.52Å; C338-C379 PolarHBondContact SG-O 3.39Å; C338-L389 HydrophobicContact CB-CD2 4.03Å; C338-L389 VanDerWaalsContact SG-CD2 3.55Å
339	G	97.4	Very high	88.9	Confident	5 Å²	5	16.8 Å²	16.8	5%	0.052	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-129	-172	0	0	0	0	0	111.2	Y301 G337 G341 D380 A385	Y301-G339 WeakPolarHBondContact OH-CA 3.49Å; G337-G339 PolarHBondContact O-N 3.45Å; G339-G341 VanDerWaalsContact C-N 3.34Å; G339-D380 WeakPolarHBondContact CA-OD2 3.38Å; G339-D380 PolarHBondContact N-OD2 3.09Å; G339-A385 CarbonylContact O-C 3.46Å; G339-A385 WeakPolarHBondContact O-CB 3.27Å
340	V	97.2	Very high	90.2	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	16.6	177.7	-59.9	0	0	0	0	112.6	Y301 V306 C338 N342 I388 R392	Y301-V340 HydrophobicContact CD1-CG1 3.64Å; Y301-V340 HydrophobicContact CE1-CG1 3.92Å; Y301-V340 HydrophobicContact CG-CG1 4.41Å; V306-V340 HydrophobicContact CG1-CB 4.28Å; V306-V340 HydrophobicContact CG1-CG2 4.19Å; C338-V340 PolarHBondContact O-N 3Å; V340-N342 WeakPolarHBondContact CG2-OD1 3.39Å; V340-I388 HydrophobicContact CB-CB 4.37Å; V340-I388 HydrophobicContact CB-CG2 3.76Å; V340-I388 HydrophobicContact CG1-CB 3.91Å; V340-I388 HydrophobicContact CG1-CD1 3.96Å; V340-I388 HydrophobicContact CG1-CG2 3.7Å; V340-R392 VanDerWaalsContact O-CD 3.28Å; V340-R392 WeakPolarHBondContact O-CD 3.38Å; V340-R392 PolarHBondContact O-NH1 3.41Å
341	G	96.6	Very high	91.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	90	17.5	174.1	0	0	0	0	0	116.8	C338 G339 F343 L344 I345	C338-G341 PolarHBondContact O-N 2.91Å; G339-G341 VanDerWaalsContact C-N 3.34Å; G341-F343 PolarHBondContact O-N 2.9Å; G341-F343 VanDerWaalsContact O-N 3.08Å; G341-L344 PolarHBondContact O-N 3.45Å; G341-I345 WeakPolarHBondContact O-CB 3.28Å; G341-I345 VanDerWaalsContact O-CG1 3.31Å; G341-I345 WeakPolarHBondContact O-CG1 3.34Å; G341-I345 PolarHBondContact O-N 3.35Å
342	N	95	Very high	91.6	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.032	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11	-177.8	-66.2	109.4	0	0	0	114.4	F309 D311 R312 V340	F309-N342 HydrophobicContact CB-CB 4.32Å; F309-N342 WeakPolarHBondContact CB-OD1 3.46Å; F309-N342 PolarHBondContact O-ND2 3.48Å; D311-N342 WeakPolarHBondContact CA-O 3.33Å; D311-N342 WeakPolarHBondContact OD1-CA 3.09Å; D311-N342 PolarHBondContact OD1-ND2 3.24Å; R312-N342 PolarHBondContact N-O 3.04Å; V340-N342 WeakPolarHBondContact CG2-OD1 3.39Å
343	F	94.4	Very high	91.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-49.9	166.7	172.6	-79.7	0	0	0	110.7	T315 L322 E335 G341 I345 P346 L347 T439 I441	T315-F343 HydrophobicContact CG2-CD2 3.32Å; T315-F343 HydrophobicContact CG2-CE2 3.21Å; T315-F343 HydrophobicContact CG2-CG 4.44Å; T315-F343 HydrophobicContact CG2-CZ 4.27Å; L322-F343 HydrophobicContact CD1-CE2 4.49Å; L322-F343 HydrophobicContact CD1-CZ 3.92Å; E335-F343 HydrophobicContact CG-CD1 4.41Å; E335-F343 WeakPolarHBondContact OE1-CB 3.44Å; E335-F343 WeakPolarHBondContact OE2-CD1 3.35Å; G341-F343 PolarHBondContact O-N 2.9Å; G341-F343 VanDerWaalsContact O-N 3.08Å; F343-I345 PolarHBondContact O-N 2.92Å; F343-P346 WeakPolarHBondContact O-CD 3.45Å; F343-L347 HydrophobicContact CE1-CD2 3.82Å; F343-L347 HydrophobicContact CZ-CD2 4.37Å; F343-L347 PolarHBondContact O-N 2.93Å; F343-T439 HydrophobicContact CE1-CG2 3.71Å; F343-T439 HydrophobicContact CE2-CG2 4.46Å; F343-T439 HydrophobicContact CZ-CG2 3.52Å; F343-I441 HydrophobicContact CD2-CG1 3.95Å; F343-I441 HydrophobicContact CE2-CD1 4.46Å; F343-I441 HydrophobicContact CE2-CG1 3.9Å
344	L	93.3	Very high	90	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-46.2	-176.5	-149.7	53.6	0	0	0	114.4	L333 E335 G341 L347 I348 I376 A378 L389	L333-L344 HydrophobicContact CD2-CD1 4.06Å; E335-L344 HydrophobicContact CB-CD1 4.49Å; E335-L344 WeakPolarHBondContact OE2-CB 3.34Å; E335-L344 PolarHBondContact OE2-N 3.04Å; G341-L344 PolarHBondContact O-N 3.45Å; L344-L347 WeakPolarHBondContact O-CB 3.47Å; L344-L347 PolarHBondContact O-N 3.4Å; L344-L347 VanDerWaalsContact O-N 3.13Å; L344-I348 HydrophobicContact CD2-CD1 4.33Å; L344-I348 HydrophobicContact CG-CD1 3.78Å; L344-I348 HydrophobicContact CG-CG1 4.43Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.28Å; L344-I376 HydrophobicContact CD1-CG2 3.87Å; L344-I376 HydrophobicContact CD2-CG2 3.97Å; L344-I376 HydrophobicContact CG-CG2 4.34Å; L344-A378 HydrophobicContact CD2-CB 4.03Å; L344-L389 HydrophobicContact CD2-CD1 4.43Å; L344-L389 HydrophobicContact CD2-CD2 4.44Å
345	I	93.9	Very high	88.4	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-50.7	-172.2	-61.9	-64.9	0	0	0	110.9	G341 F343 L347 I348 E349 L389 R392 L393 F396	G341-I345 WeakPolarHBondContact O-CB 3.28Å; G341-I345 VanDerWaalsContact O-CG1 3.31Å; G341-I345 WeakPolarHBondContact O-CG1 3.34Å; G341-I345 PolarHBondContact O-N 3.35Å; F343-I345 PolarHBondContact O-N 2.92Å; I345-L347 PolarHBondContact O-N 3.19Å; I345-I348 PolarHBondContact O-N 3.2Å; I345-E349 HydrophobicContact CG2-CG 4.48Å; I345-E349 WeakPolarHBondContact O-CG 3.24Å; I345-E349 PolarHBondContact O-N 3.01Å; I345-L389 HydrophobicContact CD1-CD1 4.27Å; I345-L389 HydrophobicContact CG1-CD1 4.48Å; I345-R392 HydrophobicContact CD1-CB 4.02Å; I345-R392 HydrophobicContact CG1-CB 4.44Å; I345-L393 HydrophobicContact CD1-CD2 3.85Å; I345-L393 HydrophobicContact CD1-CG 4.23Å; I345-F396 HydrophobicContact CD1-CD2 4.22Å; I345-F396 HydrophobicContact CD1-CE2 3.86Å; I345-F396 HydrophobicContact CG2-CE2 3.84Å; I345-F396 HydrophobicContact CG2-CZ 3.74Å
346	P	90.8	Very high	86.6	Confident	6 Å²	6	25.8 Å²	25.8	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-33.6	171.8	-32	40.5	0	0	0	115	D311 F343 S350	D311-P346 HydrophobicContact CB-CG 3.55Å; F343-P346 WeakPolarHBondContact O-CD 3.45Å; P346-S350 WeakPolarHBondContact O-CB 3.44Å; P346-S350 PolarHBondContact O-N 2.9Å
347	L	89.1	Confident	84.6	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-46.3	178.2	-177	63.6	0	0	0	110.6	T316 L322 L333 F343 L344 I345 S350 M351	T316-L347 HydrophobicContact CG2-CD1 3.69Å; L322-L347 HydrophobicContact CB-CD1 4.36Å; L322-L347 HydrophobicContact CD1-CD1 4.23Å; L322-L347 HydrophobicContact CD2-CD2 4.16Å; L333-L347 HydrophobicContact CD2-CD2 3.61Å; F343-L347 HydrophobicContact CE1-CD2 3.82Å; F343-L347 HydrophobicContact CZ-CD2 4.37Å; F343-L347 PolarHBondContact O-N 2.93Å; L344-L347 WeakPolarHBondContact O-CB 3.47Å; L344-L347 PolarHBondContact O-N 3.4Å; L344-L347 VanDerWaalsContact O-N 3.13Å; I345-L347 PolarHBondContact O-N 3.19Å; L347-S350 WeakPolarHBondContact O-CB 3.39Å; L347-S350 PolarHBondContact O-N 3.2Å; L347-M351 HydrophobicContact CD1-CE 3.51Å; L347-M351 HydrophobicContact CD2-CE 3.95Å; L347-M351 HydrophobicContact CG-CE 3.48Å; L347-M351 VanDerWaalsContact CG-CE 3.48Å; L347-M351 HydrophobicContact CG-SD 4.17Å; L347-M351 VanDerWaalsContact O-CG 3.29Å; L347-M351 WeakPolarHBondContact O-CG 3.42Å; L347-M351 PolarHBondContact O-N 2.78Å
348	I	88.3	Confident	82.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-47.9	174.9	-70.9	162.6	0	0	0	110.7	L344 I345 S350 M351 L352 I376 L393 F396 V398	L344-I348 HydrophobicContact CD2-CD1 4.33Å; L344-I348 HydrophobicContact CG-CD1 3.78Å; L344-I348 HydrophobicContact CG-CG1 4.43Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.28Å; I345-I348 PolarHBondContact O-N 3.2Å; I348-S350 VanDerWaalsContact C-N 3.29Å; I348-S350 PolarHBondContact O-N 2.85Å; I348-M351 PolarHBondContact O-N 2.79Å; I348-M351 VanDerWaalsContact O-N 3.11Å; I348-L352 HydrophobicContact CG2-CD1 3.76Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.22Å; I348-L352 PolarHBondContact O-N 2.91Å; I348-I376 HydrophobicContact CD1-CD1 4.49Å; I348-I376 HydrophobicContact CG1-CD1 4.19Å; I348-L393 HydrophobicContact CD1-CD2 3.47Å; I348-L393 VanDerWaalsContact CD1-CD2 3.47Å; I348-F396 HydrophobicContact CG2-CB 3.98Å; I348-F396 HydrophobicContact CG2-CD1 3.81Å; I348-F396 HydrophobicContact CG2-CE1 4.48Å; I348-F396 HydrophobicContact CG2-CG 3.86Å; I348-V398 HydrophobicContact CD1-CG2 3.94Å; I348-V398 HydrophobicContact CG1-CG2 4.38Å; I348-V398 HydrophobicContact CG2-CG1 3.8Å; I348-V398 HydrophobicContact CG2-CG2 4.01Å
349	E	87.4	Confident	79.6	Confident	69 Å²	69	37.8 Å²	37.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-55	-45.3	176	-75.1	171.7	175.6	0	0	111.8	H313 I345 L352 S353 F396	H313-E349 IonicContact CE1-OE2 3.23Å; I345-E349 HydrophobicContact CG2-CG 4.48Å; I345-E349 WeakPolarHBondContact O-CG 3.24Å; I345-E349 PolarHBondContact O-N 3.01Å; E349-L352 PolarHBondContact O-N 3.17Å; E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 2.8Å; E349-S353 PolarHBondContact O-OG 3.05Å; E349-F396 HydrophobicContact CG-CE1 3.6Å; E349-F396 HydrophobicContact CG-CZ 3.88Å
350	S	81.2	Confident	77	Confident	39 Å²	39	45.2 Å²	45.2	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-42.4	177.1	-170.8	0	0	0	0	111.6	P346 L347 I348 S353 I354	P346-S350 WeakPolarHBondContact O-CB 3.44Å; P346-S350 PolarHBondContact O-N 2.9Å; L347-S350 WeakPolarHBondContact O-CB 3.39Å; L347-S350 PolarHBondContact O-N 3.2Å; I348-S350 VanDerWaalsContact C-N 3.29Å; I348-S350 PolarHBondContact O-N 2.85Å; S350-S353 PolarHBondContact O-N 3.46Å; S350-I354 WeakPolarHBondContact O-CD1 3.27Å; S350-I354 VanDerWaalsContact O-CG1 3.25Å; S350-I354 WeakPolarHBondContact O-CG1 3.09Å; S350-I354 PolarHBondContact O-N 3.08Å; S350-I354 VanDerWaalsContact O-N 3.12Å
351	M	77.9	Confident	74	Confident	17 Å²	17	53.5 Å²	53.5	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-42.2	179.3	-71.5	167.3	179.6	0	0	112.4	L325 L347 I348 I354 S355 N371 I373	L325-M351 HydrophobicContact CD1-CE 3.53Å; L347-M351 HydrophobicContact CD1-CE 3.51Å; L347-M351 HydrophobicContact CD2-CE 3.95Å; L347-M351 HydrophobicContact CG-CE 3.48Å; L347-M351 VanDerWaalsContact CG-CE 3.48Å; L347-M351 HydrophobicContact CG-SD 4.17Å; L347-M351 VanDerWaalsContact O-CG 3.29Å; L347-M351 WeakPolarHBondContact O-CG 3.42Å; L347-M351 PolarHBondContact O-N 2.78Å; I348-M351 PolarHBondContact O-N 2.79Å; I348-M351 VanDerWaalsContact O-N 3.11Å; M351-I354 PolarHBondContact O-N 2.83Å; M351-S355 PolarHBondContact O-N 2.81Å; M351-N371 PolarHBondContact O-ND2 3.05Å; M351-I373 HydrophobicContact CE-CD1 3.27Å; M351-I373 HydrophobicContact CE-CG1 4.46Å; M351-I373 HydrophobicContact SD-CD1 3.48Å; M351-I373 WeakPolarHBondContact SD-CD1 3.36Å; M351-I373 HydrophobicContact SD-CG1 4.49Å
352	L	78.6	Confident	71.1	Confident	30 Å²	30	57.8 Å²	57.8	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-70.5	-31.1	176.8	-66.5	171.9	0	0	0	112.6	I348 E349 S355 K356 F396 P397 V398	I348-L352 HydrophobicContact CG2-CD1 3.76Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.22Å; I348-L352 PolarHBondContact O-N 2.91Å; E349-L352 PolarHBondContact O-N 3.17Å; L352-S355 PolarHBondContact O-OG 2.92Å; L352-K356 WeakPolarHBondContact O-CG 3.34Å; L352-K356 PolarHBondContact O-N 2.84Å; L352-F396 HydrophobicContact CD1-CB 4.28Å; L352-F396 HydrophobicContact CD1-CD1 3.67Å; L352-F396 HydrophobicContact CD1-CG 4.44Å; L352-P397 HydrophobicContact CD1-CG 4.4Å; L352-P397 HydrophobicContact CD2-CG 4.07Å; L352-V398 HydrophobicContact CD1-CG1 4.32Å; L352-V398 HydrophobicContact CD2-CG1 4.18Å; L352-V398 HydrophobicContact CG-CG1 4.47Å
353	S	75.7	Confident	68.1	Low	75 Å²	75	65.9 Å²	65.9	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-68.4	-40.1	175.1	-60	0	0	0	0	111.5	E349 S350 K356 A357	E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 2.8Å; E349-S353 PolarHBondContact O-OG 3.05Å; S350-S353 PolarHBondContact O-N 3.46Å; S353-K356 PolarHBondContact O-N 2.89Å; S353-A357 PolarHBondContact O-N 2.67Å
354	I	67.5	Low	65.1	Low	75 Å²	75	75.9 Å²	75.9	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-65.9	-39.1	176.7	-64.7	163	0	0	0	110.6	S350 M351 K356 A357 G358 N371	S350-I354 WeakPolarHBondContact O-CD1 3.27Å; S350-I354 VanDerWaalsContact O-CG1 3.25Å; S350-I354 WeakPolarHBondContact O-CG1 3.09Å; S350-I354 PolarHBondContact O-N 3.08Å; S350-I354 VanDerWaalsContact O-N 3.12Å; M351-I354 PolarHBondContact O-N 2.83Å; I354-K356 PolarHBondContact O-N 2.96Å; I354-A357 PolarHBondContact O-N 3.39Å; I354-G358 PolarHBondContact O-N 2.94Å; I354-N371 VanDerWaalsContact CG2-ND2 3.34Å; I354-N371 WeakPolarHBondContact CG2-ND2 3.47Å
355	S	61.2	Low	62.2	Low	21 Å²	21	79.8 Å²	79.8	15%	0.147	46%	0.459	C	S	.	.	H	α-helix	trans	-65.2	-38.9	178.8	70	0	0	0	0	112.4	M351 L352 A357 G358 I359 N371	M351-S355 PolarHBondContact O-N 2.81Å; L352-S355 PolarHBondContact O-OG 2.92Å; S355-A357 VanDerWaalsContact C-N 3.34Å; S355-A357 PolarHBondContact O-N 3.18Å; S355-G358 PolarHBondContact O-N 3.07Å; S355-I359 WeakPolarHBondContact O-CG1 3.39Å; S355-N371 VanDerWaalsContact CB-OD1 3.3Å; S355-N371 WeakPolarHBondContact CB-OD1 3.32Å; S355-N371 PolarHBondContact N-ND2 3.35Å; S355-N371 VanDerWaalsContact N-ND2 3.16Å
356	K	59.1	Low	59.2	Low	163 Å²	163	84.6 Å²	84.6	71%	0.709	49%	0.491	S	S	*	.	H	α-helix	trans	-66.2	-32.9	175.6	-72.9	-179.1	-179.7	-178.6	0	113.4	L352 S353 I354 G358	L352-K356 WeakPolarHBondContact O-CG 3.34Å; L352-K356 PolarHBondContact O-N 2.84Å; S353-K356 PolarHBondContact O-N 2.89Å; I354-K356 PolarHBondContact O-N 2.96Å; K356-G358 VanDerWaalsContact C-N 3.28Å; K356-G358 PolarHBondContact O-N 2.96Å
357	A	56.5	Low	56.7	Low	92 Å²	92	90.5 Å²	90.5	76%	0.76	53%	0.527	S	S	*	.	H	α-helix	trans	-75.7	-14.6	179.9	0	0	0	0	0	113.6	S353 I354 S355	S353-A357 PolarHBondContact O-N 2.67Å; I354-A357 PolarHBondContact O-N 3.39Å; S355-A357 VanDerWaalsContact C-N 3.34Å; S355-A357 PolarHBondContact O-N 3.18Å
358	G	49.3	Very low	54.4	Low	68 Å²	68	95 Å²	95	70%	0.701	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	5.7	-177.7	0	0	0	0	0	115.7	I354 S355 K356	I354-G358 PolarHBondContact O-N 2.94Å; S355-G358 PolarHBondContact O-N 3.07Å; K356-G358 VanDerWaalsContact C-N 3.28Å; K356-G358 PolarHBondContact O-N 2.96Å
359	I	42.2	Very low	52.2	Low	119 Å²	119	103.5 Å²	103.5	61%	0.61	60%	0.596	S	S	*	*			trans	-120.4	108.2	-178.2	-60.8	171.4	0	0	0	109.1	S355 I361	S355-I359 WeakPolarHBondContact O-CG1 3.39Å; I359-I361 PolarHBondContact O-N 3.45Å
360	D	41.3	Very low	50.3	Low	162 Å²	162	102.4 Å²	102.4	87%	0.866	59%	0.593	S	S	*	*			trans	-61.6	125.4	160.6	-82.1	-37.7	0	0	0	108.9	A362	D360-A362 PolarHBondContact O-N 3.43Å
361	I	34.9	Very low	48.8	Very low	174 Å²	174	102.4 Å²	102.4	89%	0.892	59%	0.59	S	S	*	*	S	Bend	trans	-66.6	101.1	-174.8	-60.2	165.5	0	0	0	109.1	I359	I359-I361 PolarHBondContact O-N 3.45Å
362	A	34.8	Very low	47.6	Very low	91 Å²	91	102.3 Å²	102.3	75%	0.752	59%	0.594	S	S	*	*			trans	-147	-10.3	165.5	0	0	0	0	0	116.3	D360	D360-A362 PolarHBondContact O-N 3.43Å
363	E	33.4	Very low	46.6	Very low	175 Å²	175	101 Å²	101	82%	0.818	59%	0.587	S	S	*	*			trans	-135.1	104.5	176.7	-72.6	-171.4	165.8	0	0	112.4	S365	E363-S365 PolarHBondContact O-N 3.4Å
364	E	31.9	Very low	46	Very low	211 Å²	211	100.4 Å²	100.4	99%	0.986	58%	0.583	S	S	*	*			trans	-70.7	18.3	173.4	-95	177.2	160	0	0	114.1
365	S	31.9	Very low	46.7	Very low	82 Å²	82	99.9 Å²	99.9	57%	0.573	58%	0.576	S	S	*	*	S	Bend	trans	-112.4	116.3	-177.8	122.5	0	0	0	0	110	E363	E363-S365 PolarHBondContact O-N 3.4Å
366	C	30.7	Very low	48	Very low	103 Å²	103	99.1 Å²	99.1	70%	0.696	57%	0.57	S	S	*	*			trans	83.2	66.6	169.6	-42.4	0	0	0	0	117.2	S368	C366-S368 PolarHBondContact O-N 3.26Å
367	V	37.3	Very low	49.7	Very low	131 Å²	131	91.9 Å²	91.9	79%	0.794	54%	0.539	S	S	*	.			trans	-73.1	70.9	159.5	-173.4	0	0	0	0	109.2
368	S	41	Very low	51.6	Low	95 Å²	95	87.5 Å²	87.5	66%	0.664	50%	0.502	S	S	*	.			trans	-135.1	41.4	174	68.2	0	0	0	0	111.7	C366	C366-S368 PolarHBondContact O-N 3.26Å
369	K	43.6	Very low	54	Low	182 Å²	182	84.3 Å²	84.3	79%	0.791	47%	0.469	S	S	*	.			trans	-131.9	87.2	173.4	-69	-177.3	-178	173.3	0	109.1	N371	K369-N371 PolarHBondContact O-N 3.09Å
370	T	47.3	Very low	56.7	Low	45 Å²	45	79.1 Å²	79.1	28%	0.276	44%	0.443	S	S	.	.			trans	-51.9	128.6	154.6	40.9	0	0	0	0	107.4	G372 I373 V398	T370-G372 VanDerWaalsContact C-N 3.33Å; T370-G372 PolarHBondContact O-N 3.28Å; T370-I373 WeakPolarHBondContact CB-O 3.33Å; T370-I373 PolarHBondContact OG1-O 2.74Å; T370-V398 HydrophobicContact CG2-CB 3.98Å; T370-V398 HydrophobicContact CG2-CG1 3.55Å
371	N	49.8	Very low	59.3	Low	39 Å²	39	73.7 Å²	73.7	21%	0.209	41%	0.413	C	S	.	.	S	Bend	trans	-53.9	84.8	-179.7	-107.5	12.8	0	0	0	112.7	H326 M351 I354 S355 K369 I373	H326-N371 VanDerWaalsContact CD2-CB 3.49Å; H326-N371 WeakPolarHBondContact CD2-CB 3.21Å; H326-N371 WeakPolarHBondContact NE2-CB 3.29Å; H326-N371 PolarHBondContact NE2-ND2 3.27Å; M351-N371 PolarHBondContact O-ND2 3.05Å; I354-N371 VanDerWaalsContact CG2-ND2 3.34Å; I354-N371 WeakPolarHBondContact CG2-ND2 3.47Å; S355-N371 VanDerWaalsContact CB-OD1 3.3Å; S355-N371 WeakPolarHBondContact CB-OD1 3.32Å; S355-N371 PolarHBondContact N-ND2 3.35Å; S355-N371 VanDerWaalsContact N-ND2 3.16Å; K369-N371 PolarHBondContact O-N 3.09Å; N371-I373 VanDerWaalsContact C-N 3.3Å; N371-I373 PolarHBondContact O-N 2.79Å; N371-I373 VanDerWaalsContact O-N 3.14Å
372	G	52	Low	62.3	Low	15 Å²	15	65.4 Å²	65.4	16%	0.155	37%	0.371	C	S	.	.	S	Bend	trans	80.5	-26.1	173.4	0	0	0	0	0	117.3	L325 R331 T370	L325-G372 CarbonylContact O-C 3.56Å; R331-G372 PolarHBondContact N-O 3.48Å; T370-G372 VanDerWaalsContact C-N 3.33Å; T370-G372 PolarHBondContact O-N 3.28Å
373	I	57.5	Low	65.3	Low	2 Å²	2	65.9 Å²	65.9	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.1	179.7	-50.8	177.9	0	0	0	110.3	L325 R331 L333 M351 T370 N371 I376	L325-I373 HydrophobicContact CB-CD1 3.88Å; L325-I373 HydrophobicContact CB-CG1 3.8Å; L325-I373 HydrophobicContact CD1-CD1 3.44Å; L325-I373 VanDerWaalsContact CD1-CD1 3.44Å; L325-I373 HydrophobicContact CD1-CG1 4.25Å; L325-I373 HydrophobicContact CD2-CD1 3.92Å; L325-I373 HydrophobicContact CD2-CG1 3.92Å; L325-I373 HydrophobicContact CG-CD1 3.89Å; L325-I373 HydrophobicContact CG-CG1 4.16Å; R331-I373 WeakPolarHBondContact O-CA 3.38Å; R331-I373 WeakPolarHBondContact O-CG2 3.45Å; L333-I373 HydrophobicContact CB-CG2 4.37Å; M351-I373 HydrophobicContact CE-CD1 3.27Å; M351-I373 HydrophobicContact CE-CG1 4.46Å; M351-I373 HydrophobicContact SD-CD1 3.48Å; M351-I373 WeakPolarHBondContact SD-CD1 3.36Å; M351-I373 HydrophobicContact SD-CG1 4.49Å; T370-I373 WeakPolarHBondContact CB-O 3.33Å; T370-I373 PolarHBondContact OG1-O 2.74Å; N371-I373 VanDerWaalsContact C-N 3.3Å; N371-I373 PolarHBondContact O-N 2.79Å; N371-I373 VanDerWaalsContact O-N 3.14Å; I373-I376 HydrophobicContact CG2-CG1 3.72Å
374	S	64	Low	68.4	Low	64 Å²	64	61.6 Å²	61.6	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-19.4	-178.8	-49.7	0	0	0	0	112.4	P330 R331	P330-S374 WeakPolarHBondContact CA-OG 3.44Å; P330-S374 VanDerWaalsContact CB-CB 3.44Å; P330-S374 WeakPolarHBondContact CB-OG 3.17Å; R331-S374 PolarHBondContact O-N 3.36Å
375	R	80.7	Confident	71.5	Confident	63 Å²	63	51.5 Å²	51.5	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	110.8	-173.6	-58.7	179.7	-177.8	151.9	-2.2	111.3	R331 S332 L333 Y377 E427	R331-R375 PolarHBondContact O-N 3.26Å; S332-R375 VanDerWaalsContact CA-O 3.28Å; S332-R375 WeakPolarHBondContact CA-O 3.38Å; L333-R375 PolarHBondContact N-O 2.95Å; R375-Y377 HydrophobicContact CB-CD2 4.46Å; R375-Y377 HydrophobicContact CB-CE2 3.67Å; R375-E427 IonicContact NH2-OE2 3.21Å
376	I	89.4	Confident	74.7	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.8	172.2	-56.6	174.4	0	0	0	108.2	L333 L344 I348 I373 C400 N401	L333-I376 CarbonylContact O-C 3.57Å; L344-I376 HydrophobicContact CD1-CG2 3.87Å; L344-I376 HydrophobicContact CD2-CG2 3.97Å; L344-I376 HydrophobicContact CG-CG2 4.34Å; I348-I376 HydrophobicContact CD1-CD1 4.49Å; I348-I376 HydrophobicContact CG1-CD1 4.19Å; I373-I376 HydrophobicContact CG2-CG1 3.72Å; I376-C400 HydrophobicContact CB-CB 4.01Å; I376-C400 HydrophobicContact CG2-CB 4Å; I376-C400 CarbonylContact O-C 3.5Å; I376-C400 VanDerWaalsContact O-CA 3.3Å; I376-C400 WeakPolarHBondContact O-CA 3.37Å; I376-N401 PolarHBondContact O-N 2.76Å
377	Y	94.5	Very high	77.9	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	173.8	-59.2	-86.7	0	0	0	108.8	L333 L334 E335 R375 N401 L417 L420 N421	L333-Y377 PolarHBondContact O-N 2.78Å; L334-Y377 CarbonylContact C-O 3.49Å; L334-Y377 VanDerWaalsContact CA-O 3.32Å; L334-Y377 WeakPolarHBondContact CA-O 3.39Å; E335-Y377 PolarHBondContact N-O 2.92Å; R375-Y377 HydrophobicContact CB-CD2 4.46Å; R375-Y377 HydrophobicContact CB-CE2 3.67Å; Y377-N401 WeakPolarHBondContact CA-O 3.38Å; Y377-N401 HydrophobicContact CD1-CB 3.97Å; Y377-N401 HydrophobicContact CE1-CB 4.33Å; Y377-L417 HydrophobicContact CD1-CD2 3.6Å; Y377-L417 HydrophobicContact CD2-CD2 4.42Å; Y377-L417 HydrophobicContact CE1-CD2 4.03Å; Y377-L417 HydrophobicContact CG-CD2 3.82Å; Y377-L420 HydrophobicContact CD1-CD1 4.2Å; Y377-L420 HydrophobicContact CE1-CD1 4.47Å; Y377-N421 PolarHBondContact OH-OD1 3.13Å
378	A	97.1	Very high	80.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.9	176	0	0	0	0	0	109.3	E335 C338 L344 L389 N401 A402 F403	E335-A378 CarbonylContact O-C 3.59Å; E335-A378 WeakPolarHBondContact O-CA 3.37Å; C338-A378 HydrophobicContact CB-CB 3.82Å; L344-A378 HydrophobicContact CD2-CB 4.03Å; A378-L389 HydrophobicContact CB-CD2 3.66Å; A378-N401 PolarHBondContact N-O 2.91Å; A378-N401 VanDerWaalsContact N-O 3.08Å; A378-A402 HydrophobicContact CB-CB 4.25Å; A378-A402 CarbonylContact O-C 3.58Å; A378-A402 VanDerWaalsContact O-CA 3.22Å; A378-A402 WeakPolarHBondContact O-CA 3.38Å; A378-F403 VanDerWaalsContact O-CD1 3.24Å; A378-F403 WeakPolarHBondContact O-CD1 3.15Å; A378-F403 PolarHBondContact O-N 2.92Å
379	C	98.1	Very high	83.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.3	173.6	71.8	0	0	0	0	113.6	E335 G337 C338 F403 C405	E335-C379 PolarHBondContact O-N 2.9Å; G337-C379 CarbonylContact C-O 3.58Å; G337-C379 VanDerWaalsContact CA-O 3.28Å; G337-C379 WeakPolarHBondContact CA-O 3.43Å; G337-C379 PolarHBondContact N-O 3.34Å; C338-C379 PolarHBondContact N-O 3.24Å; C338-C379 VanDerWaalsContact SG-C 3.52Å; C338-C379 PolarHBondContact SG-O 3.39Å; C379-F403 WeakPolarHBondContact CA-O 3.38Å; C379-F403 HydrophobicContact CB-CD1 4.28Å; C379-F403 HydrophobicContact CB-CD2 3.74Å; C379-F403 HydrophobicContact CB-CE1 4.03Å; C379-F403 HydrophobicContact CB-CE2 3.43Å; C379-F403 VanDerWaalsContact CB-CE2 3.43Å; C379-F403 HydrophobicContact CB-CG 4.17Å; C379-F403 HydrophobicContact CB-CZ 3.61Å; C379-F403 WeakPolarHBondContact CB-O 3.32Å; C379-C405 HydrophobicContact CB-CB 3.82Å
380	D	98.5	Very high	86	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.053	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.5	173.4	-159.6	-78.8	0	0	0	109.5	G339 S382 A385 V386 F403 V404 C405	G339-D380 WeakPolarHBondContact CA-OD2 3.38Å; G339-D380 PolarHBondContact N-OD2 3.09Å; D380-S382 VanDerWaalsContact C-N 3.25Å; D380-S382 PolarHBondContact OD1-N 3.06Å; D380-A385 HydrophobicContact CB-CB 4.07Å; D380-V386 HydrophobicContact CB-CG2 4.16Å; D380-F403 PolarHBondContact N-O 3.45Å; D380-V404 CarbonylContact O-C 3.47Å; D380-V404 VanDerWaalsContact O-CA 3.29Å; D380-V404 WeakPolarHBondContact O-CA 3.18Å; D380-C405 PolarHBondContact O-N 3.2Å
381	I	97.7	Very high	88.3	Confident	48 Å²	48	34.9 Å²	34.9	25%	0.246	18%	0.176	C	C	.	.	S	Bend	trans	-73.3	-21.8	175	-165.3	168.7	0	0	0	111.8	W297 D406	W297-I381 HydrophobicContact CB-CG2 4Å; W297-I381 HydrophobicContact CG-CG2 4.19Å; I381-D406 HydrophobicContact CD1-CB 4.3Å; I381-D406 HydrophobicContact CG1-CB 4.36Å
382	S	97.7	Very high	90.5	Very high	1 Å²	1	35 Å²	35	1%	0.007	17%	0.173	C	C	.	.			trans	-95.2	120.8	-179.5	170.2	0	0	0	0	111.9	D298 D380 R384 A385 V386	D298-S382 WeakPolarHBondContact CA-OG 3.37Å; D298-S382 PolarHBondContact OD1-OG 3.43Å; D380-S382 VanDerWaalsContact C-N 3.25Å; D380-S382 PolarHBondContact OD1-N 3.06Å; S382-R384 VanDerWaalsContact C-N 3.26Å; S382-R384 PolarHBondContact O-N 3.26Å; S382-R384 PolarHBondContact OG-N 3.38Å; S382-A385 WeakPolarHBondContact O-CB 3.21Å; S382-A385 PolarHBondContact O-N 3.27Å; S382-A385 VanDerWaalsContact O-N 3.13Å; S382-A385 PolarHBondContact OG-N 3.39Å; S382-V386 PolarHBondContact O-N 3.39Å
383	Q	97.3	Very high	92.5	Very high	100 Å²	100	35 Å²	35	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-53.5	-45	169.5	-176.2	64.4	62.6	0	0	111.5	A385 V386 D387 V404	Q383-A385 VanDerWaalsContact C-N 3.28Å; Q383-A385 PolarHBondContact O-N 3.32Å; Q383-V386 WeakPolarHBondContact O-CB 3.31Å; Q383-V386 PolarHBondContact O-N 3.16Å; Q383-D387 PolarHBondContact NE2-OD1 3.03Å; Q383-D387 PolarHBondContact O-N 3.48Å; Q383-V404 VanDerWaalsContact CA-CG2 3.49Å; Q383-V404 HydrophobicContact CB-CG2 3.99Å; Q383-V404 HydrophobicContact CG-CG2 4.42Å
384	R	98	Very high	94.1	Very high	85 Å²	85	41.8 Å²	41.8	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-35.3	179.8	-172.3	179.5	-48.2	-60.2	-15.1	113.6	D298 K302 S382 I388	D298-R384 WeakPolarHBondContact OD1-CB 3.22Å; D298-R384 PolarHBondContact OD1-N 3.36Å; D298-R384 IonicContact OD1-NE 3.21Å; D298-R384 IonicContact OD2-CZ 3.68Å; D298-R384 IonicContact OD2-NE 2.68Å; D298-R384 PolarHBondContact OD2-NE 3.06Å; D298-R384 IonicContact OD2-NH2 3.97Å; D298-R384 PolarHBondContact OD2-NH2 3.44Å; K302-R384 VanDerWaalsContact N-CD 3.28Å; S382-R384 VanDerWaalsContact C-N 3.26Å; S382-R384 PolarHBondContact O-N 3.26Å; S382-R384 PolarHBondContact OG-N 3.38Å; R384-I388 HydrophobicContact CG-CD1 3.94Å; R384-I388 HydrophobicContact CG-CG1 4.48Å; R384-I388 WeakPolarHBondContact O-CB 3.24Å; R384-I388 WeakPolarHBondContact O-CD1 3.32Å; R384-I388 WeakPolarHBondContact O-CG1 3.4Å; R384-I388 PolarHBondContact O-N 3.26Å
385	A	98.2	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-47.4	176.9	0	0	0	0	0	110.5	Y301 G339 D380 S382 Q383 I388 L389	Y301-A385 HydrophobicContact CD2-CB 3.57Å; Y301-A385 HydrophobicContact CE2-CB 3.52Å; Y301-A385 HydrophobicContact CG-CB 4.08Å; G339-A385 CarbonylContact O-C 3.46Å; G339-A385 WeakPolarHBondContact O-CB 3.27Å; D380-A385 HydrophobicContact CB-CB 4.07Å; S382-A385 WeakPolarHBondContact O-CB 3.21Å; S382-A385 PolarHBondContact O-N 3.27Å; S382-A385 VanDerWaalsContact O-N 3.13Å; S382-A385 PolarHBondContact OG-N 3.39Å; Q383-A385 VanDerWaalsContact C-N 3.28Å; Q383-A385 PolarHBondContact O-N 3.32Å; A385-I388 PolarHBondContact O-N 2.98Å; A385-L389 WeakPolarHBondContact O-CB 3.42Å; A385-L389 PolarHBondContact O-N 2.83Å
386	V	98.1	Very high	95.6	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-49	175	175.2	0	0	0	0	111	D380 S382 Q383 I388 L389 D390 A402 V404	D380-V386 HydrophobicContact CB-CG2 4.16Å; S382-V386 PolarHBondContact O-N 3.39Å; Q383-V386 WeakPolarHBondContact O-CB 3.31Å; Q383-V386 PolarHBondContact O-N 3.16Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 3.07Å; V386-L389 WeakPolarHBondContact O-CB 3.37Å; V386-L389 PolarHBondContact O-N 2.74Å; V386-L389 VanDerWaalsContact O-N 3.11Å; V386-D390 PolarHBondContact O-N 2.91Å; V386-A402 HydrophobicContact CG1-CB 3.85Å; V386-V404 HydrophobicContact CB-CG2 4.37Å; V386-V404 HydrophobicContact CG2-CG2 4.01Å
387	D	98	Very high	95.3	Very high	73 Å²	73	48.8 Å²	48.8	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-44.3	178.5	-60.3	-21.4	0	0	0	111.9	Q383 D390 E391	Q383-D387 PolarHBondContact NE2-OD1 3.03Å; Q383-D387 PolarHBondContact O-N 3.48Å; D387-D390 PolarHBondContact O-N 3.21Å; D387-E391 WeakPolarHBondContact O-CG 3.48Å; D387-E391 PolarHBondContact O-N 2.83Å; D387-E391 VanDerWaalsContact O-N 3.07Å
388	I	97.8	Very high	94.6	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.205	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-40.2	178	-67.9	166.9	0	0	0	110.7	V306 V340 R384 A385 V386 E391 R392	V306-I388 HydrophobicContact CG1-CG2 3.67Å; V340-I388 HydrophobicContact CB-CB 4.37Å; V340-I388 HydrophobicContact CB-CG2 3.76Å; V340-I388 HydrophobicContact CG1-CB 3.91Å; V340-I388 HydrophobicContact CG1-CD1 3.96Å; V340-I388 HydrophobicContact CG1-CG2 3.7Å; R384-I388 HydrophobicContact CG-CD1 3.94Å; R384-I388 HydrophobicContact CG-CG1 4.48Å; R384-I388 WeakPolarHBondContact O-CB 3.24Å; R384-I388 WeakPolarHBondContact O-CD1 3.32Å; R384-I388 WeakPolarHBondContact O-CG1 3.4Å; R384-I388 PolarHBondContact O-N 3.26Å; A385-I388 PolarHBondContact O-N 2.98Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 3.07Å; I388-E391 PolarHBondContact O-N 2.73Å; I388-R392 WeakPolarHBondContact O-CG 3.5Å; I388-R392 PolarHBondContact O-N 3.22Å; I388-R392 VanDerWaalsContact O-N 3.09Å
389	L	97.5	Very high	94	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-47	176	172.5	58.9	0	0	0	110.8	C338 L344 I345 A378 A385 V386 E391 R392 L393 A402	C338-L389 HydrophobicContact CB-CD2 4.03Å; C338-L389 VanDerWaalsContact SG-CD2 3.55Å; L344-L389 HydrophobicContact CD2-CD1 4.43Å; L344-L389 HydrophobicContact CD2-CD2 4.44Å; I345-L389 HydrophobicContact CD1-CD1 4.27Å; I345-L389 HydrophobicContact CG1-CD1 4.48Å; A378-L389 HydrophobicContact CB-CD2 3.66Å; A385-L389 WeakPolarHBondContact O-CB 3.42Å; A385-L389 PolarHBondContact O-N 2.83Å; V386-L389 WeakPolarHBondContact O-CB 3.37Å; V386-L389 PolarHBondContact O-N 2.74Å; V386-L389 VanDerWaalsContact O-N 3.11Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 3.44Å; L389-R392 WeakPolarHBondContact O-CB 3.28Å; L389-R392 PolarHBondContact O-N 3.25Å; L389-R392 VanDerWaalsContact O-N 3.11Å; L389-L393 HydrophobicContact CD1-CD1 3.8Å; L389-L393 HydrophobicContact CD1-CD2 4.44Å; L389-L393 HydrophobicContact CD1-CG 3.88Å; L389-L393 HydrophobicContact CD2-CD1 4.42Å; L389-L393 HydrophobicContact CG-CD1 3.69Å; L389-L393 HydrophobicContact CG-CG 4.27Å; L389-L393 VanDerWaalsContact O-CG 3.29Å; L389-L393 WeakPolarHBondContact O-CG 3.48Å; L389-L393 PolarHBondContact O-N 2.91Å; L389-A402 HydrophobicContact CD2-CB 4.02Å; L389-A402 HydrophobicContact CG-CB 4.47Å
390	D	95.9	Very high	93.6	Very high	59 Å²	59	57.7 Å²	57.7	32%	0.316	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-43.2	177.8	-78.3	-26.5	0	0	0	111.9	V386 D387 R392 L393 K394 A402	V386-D390 PolarHBondContact O-N 2.91Å; D387-D390 PolarHBondContact O-N 3.21Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 3.23Å; D390-L393 PolarHBondContact O-N 2.88Å; D390-K394 PolarHBondContact O-N 3.41Å; D390-A402 WeakPolarHBondContact OD1-CB 3.11Å
391	E	96.4	Very high	93.3	Very high	113 Å²	113	59.4 Å²	59.4	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-41.6	174.3	-71.6	-58.7	150.8	0	0	112.5	D387 I388 L389 L393 K394	D387-E391 WeakPolarHBondContact O-CG 3.48Å; D387-E391 PolarHBondContact O-N 2.83Å; D387-E391 VanDerWaalsContact O-N 3.07Å; I388-E391 PolarHBondContact O-N 2.73Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 3.44Å; E391-L393 VanDerWaalsContact C-N 3.34Å; E391-K394 PolarHBondContact O-N 2.9Å; E391-K394 IonicContact OE1-NZ 3.96Å; E391-K394 PolarHBondContact OE1-NZ 3.43Å; E391-K394 WeakPolarHBondContact OE2-CE 3.45Å; E391-K394 IonicContact OE2-NZ 3.7Å; E391-K394 PolarHBondContact OE2-NZ 3.31Å
392	R	95.6	Very high	93.1	Very high	42 Å²	42	57.9 Å²	57.9	16%	0.158	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-35.6	176.3	-69	178.7	75.3	-178.6	2.8	112.2	D311 V340 I345 I388 L389 D390 K394 E395 F396	D311-R392 IonicContact OD1-NH2 2.67Å; D311-R392 IonicContact OD2-NH2 3Å; V340-R392 VanDerWaalsContact O-CD 3.28Å; V340-R392 WeakPolarHBondContact O-CD 3.38Å; V340-R392 PolarHBondContact O-NH1 3.41Å; I345-R392 HydrophobicContact CD1-CB 4.02Å; I345-R392 HydrophobicContact CG1-CB 4.44Å; I388-R392 WeakPolarHBondContact O-CG 3.5Å; I388-R392 PolarHBondContact O-N 3.22Å; I388-R392 VanDerWaalsContact O-N 3.09Å; L389-R392 WeakPolarHBondContact O-CB 3.28Å; L389-R392 PolarHBondContact O-N 3.25Å; L389-R392 VanDerWaalsContact O-N 3.11Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 3.23Å; R392-K394 VanDerWaalsContact C-N 3.26Å; R392-K394 PolarHBondContact O-N 3.06Å; R392-E395 PolarHBondContact O-N 3.27Å; R392-F396 WeakPolarHBondContact O-CD2 3.41Å; R392-F396 WeakPolarHBondContact O-CE2 3.25Å
393	L	93.5	Very high	93.1	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-23.3	-178.2	-74.6	166	0	0	0	112.8	I345 I348 L389 D390 E391 E395 F396 V398 C400	I345-L393 HydrophobicContact CD1-CD2 3.85Å; I345-L393 HydrophobicContact CD1-CG 4.23Å; I348-L393 HydrophobicContact CD1-CD2 3.47Å; I348-L393 VanDerWaalsContact CD1-CD2 3.47Å; L389-L393 HydrophobicContact CD1-CD1 3.8Å; L389-L393 HydrophobicContact CD1-CD2 4.44Å; L389-L393 HydrophobicContact CD1-CG 3.88Å; L389-L393 HydrophobicContact CD2-CD1 4.42Å; L389-L393 HydrophobicContact CG-CD1 3.69Å; L389-L393 HydrophobicContact CG-CG 4.27Å; L389-L393 VanDerWaalsContact O-CG 3.29Å; L389-L393 WeakPolarHBondContact O-CG 3.48Å; L389-L393 PolarHBondContact O-N 2.91Å; D390-L393 PolarHBondContact O-N 2.88Å; E391-L393 VanDerWaalsContact C-N 3.34Å; L393-E395 PolarHBondContact O-N 3.46Å; L393-E395 VanDerWaalsContact O-N 3.14Å; L393-F396 PolarHBondContact O-N 2.83Å; L393-V398 HydrophobicContact CD2-CG2 4.29Å; L393-C400 HydrophobicContact CD1-CB 3.71Å; L393-C400 HydrophobicContact CD2-CB 4.11Å
394	K	92	Very high	93.1	Very high	146 Å²	146	57 Å²	57	64%	0.635	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	175.9	-68.5	176.5	-171.7	171.8	0	113.7	D390 E391 R392 F396	D390-K394 PolarHBondContact O-N 3.41Å; E391-K394 PolarHBondContact O-N 2.9Å; E391-K394 IonicContact OE1-NZ 3.96Å; E391-K394 PolarHBondContact OE1-NZ 3.43Å; E391-K394 WeakPolarHBondContact OE2-CE 3.45Å; E391-K394 IonicContact OE2-NZ 3.7Å; E391-K394 PolarHBondContact OE2-NZ 3.31Å; R392-K394 VanDerWaalsContact C-N 3.26Å; R392-K394 PolarHBondContact O-N 3.06Å; K394-F396 PolarHBondContact O-N 3.4Å
395	E	88.8	Confident	93.1	Very high	161 Å²	161	53.3 Å²	53.3	75%	0.752	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.8	177.7	-61.7	-179.1	-176.8	0	0	112.9	R392 L393	R392-E395 PolarHBondContact O-N 3.27Å; L393-E395 PolarHBondContact O-N 3.46Å; L393-E395 VanDerWaalsContact O-N 3.14Å
396	F	87.3	Confident	93	Very high	35 Å²	35	55.6 Å²	55.6	15%	0.154	28%	0.28	C	S	.	.	S	Bend	trans	-116.2	138.4	-173.5	-58.8	-80	0	0	0	111.3	I345 I348 E349 L352 R392 L393 K394 V398	I345-F396 HydrophobicContact CD1-CD2 4.22Å; I345-F396 HydrophobicContact CD1-CE2 3.86Å; I345-F396 HydrophobicContact CG2-CE2 3.84Å; I345-F396 HydrophobicContact CG2-CZ 3.74Å; I348-F396 HydrophobicContact CG2-CB 3.98Å; I348-F396 HydrophobicContact CG2-CD1 3.81Å; I348-F396 HydrophobicContact CG2-CE1 4.48Å; I348-F396 HydrophobicContact CG2-CG 3.86Å; E349-F396 HydrophobicContact CG-CE1 3.6Å; E349-F396 HydrophobicContact CG-CZ 3.88Å; L352-F396 HydrophobicContact CD1-CB 4.28Å; L352-F396 HydrophobicContact CD1-CD1 3.67Å; L352-F396 HydrophobicContact CD1-CG 4.44Å; R392-F396 WeakPolarHBondContact O-CD2 3.41Å; R392-F396 WeakPolarHBondContact O-CE2 3.25Å; L393-F396 PolarHBondContact O-N 2.83Å; K394-F396 PolarHBondContact O-N 3.4Å; F396-V398 HydrophobicContact CB-CG1 4.4Å; F396-V398 HydrophobicContact CB-CG2 3.89Å; F396-V398 PolarHBondContact O-N 2.98Å
397	P	83.7	Confident	93	Very high	83 Å²	83	56 Å²	56	54%	0.539	28%	0.282	S	S	.	.	S	Bend	trans	-78.4	52.7	176.1	34.9	-37.2	0	0	0	111.2	L352	L352-P397 HydrophobicContact CD1-CG 4.4Å; L352-P397 HydrophobicContact CD2-CG 4.07Å
398	V	80.2	Confident	92.9	Very high	23 Å²	23	53 Å²	53	14%	0.139	27%	0.266	C	S	.	.			trans	-127.5	140.1	-178.1	-53.8	0	0	0	0	111	I348 L352 T370 L393 F396 C400	I348-V398 HydrophobicContact CD1-CG2 3.94Å; I348-V398 HydrophobicContact CG1-CG2 4.38Å; I348-V398 HydrophobicContact CG2-CG1 3.8Å; I348-V398 HydrophobicContact CG2-CG2 4.01Å; L352-V398 HydrophobicContact CD1-CG1 4.32Å; L352-V398 HydrophobicContact CD2-CG1 4.18Å; L352-V398 HydrophobicContact CG-CG1 4.47Å; T370-V398 HydrophobicContact CG2-CB 3.98Å; T370-V398 HydrophobicContact CG2-CG1 3.55Å; L393-V398 HydrophobicContact CD2-CG2 4.29Å; F396-V398 HydrophobicContact CB-CG1 4.4Å; F396-V398 HydrophobicContact CB-CG2 3.89Å; F396-V398 PolarHBondContact O-N 2.98Å; V398-C400 PolarHBondContact O-N 2.72Å
399	K	83.5	Confident	92.9	Very high	157 Å²	157	55.7 Å²	55.7	68%	0.683	28%	0.277	S	S	*	.			trans	-88.6	107.3	172	-169.9	176.7	-178.2	-179.7	0	109.1
400	C	89.5	Confident	92.7	Very high	18 Å²	18	59.8 Å²	59.8	12%	0.122	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.7	171.4	172.6	0	0	0	0	109.2	I376 L393 V398	I376-C400 HydrophobicContact CB-CB 4.01Å; I376-C400 HydrophobicContact CG2-CB 4Å; I376-C400 CarbonylContact O-C 3.5Å; I376-C400 VanDerWaalsContact O-CA 3.3Å; I376-C400 WeakPolarHBondContact O-CA 3.37Å; L393-C400 HydrophobicContact CD1-CB 3.71Å; L393-C400 HydrophobicContact CD2-CB 4.11Å; V398-C400 PolarHBondContact O-N 2.72Å
401	N	92.1	Very high	92.5	Very high	46 Å²	46	65.2 Å²	65.2	25%	0.246	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	98.8	174.4	-56.5	-61	0	0	0	108.7	I376 Y377 A378 L420	I376-N401 PolarHBondContact O-N 2.76Å; Y377-N401 WeakPolarHBondContact CA-O 3.38Å; Y377-N401 HydrophobicContact CD1-CB 3.97Å; Y377-N401 HydrophobicContact CE1-CB 4.33Å; A378-N401 PolarHBondContact N-O 2.91Å; A378-N401 VanDerWaalsContact N-O 3.08Å; N401-L420 HydrophobicContact CB-CD1 4.13Å
402	A	94.9	Very high	92.5	Very high	16 Å²	16	61 Å²	61	13%	0.132	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.5	173.1	0	0	0	0	0	110.8	A378 V386 L389 D390	A378-A402 HydrophobicContact CB-CB 4.25Å; A378-A402 CarbonylContact O-C 3.58Å; A378-A402 VanDerWaalsContact O-CA 3.22Å; A378-A402 WeakPolarHBondContact O-CA 3.38Å; V386-A402 HydrophobicContact CG1-CB 3.85Å; L389-A402 HydrophobicContact CD2-CB 4.02Å; L389-A402 HydrophobicContact CG-CB 4.47Å; D390-A402 WeakPolarHBondContact OD1-CB 3.11Å
403	F	96.9	Very high	92.4	Very high	19 Å²	19	59 Å²	59	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.1	-178	59.6	-85.1	0	0	0	113	L334 A378 C379 D380 C405 L413 A416 L417 L420	L334-F403 HydrophobicContact CD1-CE1 4.38Å; L334-F403 HydrophobicContact CD1-CZ 4.3Å; A378-F403 VanDerWaalsContact O-CD1 3.24Å; A378-F403 WeakPolarHBondContact O-CD1 3.15Å; A378-F403 PolarHBondContact O-N 2.92Å; C379-F403 WeakPolarHBondContact CA-O 3.38Å; C379-F403 HydrophobicContact CB-CD1 4.28Å; C379-F403 HydrophobicContact CB-CD2 3.74Å; C379-F403 HydrophobicContact CB-CE1 4.03Å; C379-F403 HydrophobicContact CB-CE2 3.43Å; C379-F403 VanDerWaalsContact CB-CE2 3.43Å; C379-F403 HydrophobicContact CB-CG 4.17Å; C379-F403 HydrophobicContact CB-CZ 3.61Å; C379-F403 WeakPolarHBondContact CB-O 3.32Å; D380-F403 PolarHBondContact N-O 3.45Å; F403-C405 HydrophobicContact CD2-CB 3.85Å; F403-C405 HydrophobicContact CE2-CB 3.68Å; F403-L413 HydrophobicContact CE2-CD1 4.19Å; F403-L413 HydrophobicContact CZ-CD1 4.09Å; F403-A416 HydrophobicContact CD2-CB 3.61Å; F403-A416 HydrophobicContact CE2-CB 3.34Å; F403-A416 HydrophobicContact CZ-CB 4.2Å; F403-L417 HydrophobicContact CE1-CD2 3.89Å; F403-L417 HydrophobicContact CZ-CD2 3.83Å; F403-L417 HydrophobicContact CZ-CG 4.23Å; F403-L420 HydrophobicContact CB-CD1 4.37Å; F403-L420 HydrophobicContact CD1-CD1 3.35Å; F403-L420 HydrophobicContact CE1-CD1 3.67Å; F403-L420 HydrophobicContact CG-CD1 3.94Å
404	V	97.4	Very high	92.3	Very high	63 Å²	63	63.9 Å²	63.9	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.2	174.6	179.7	0	0	0	0	110.2	D380 Q383 V386	D380-V404 CarbonylContact O-C 3.47Å; D380-V404 VanDerWaalsContact O-CA 3.29Å; D380-V404 WeakPolarHBondContact O-CA 3.18Å; Q383-V404 VanDerWaalsContact CA-CG2 3.49Å; Q383-V404 HydrophobicContact CB-CG2 3.99Å; Q383-V404 HydrophobicContact CG-CG2 4.42Å; V386-V404 HydrophobicContact CB-CG2 4.37Å; V386-V404 HydrophobicContact CG2-CG2 4.01Å
405	C	97.5	Very high	92.3	Very high	9 Å²	9	59.9 Å²	59.9	6%	0.061	31%	0.311	C	S	.	.			trans	-149	125.6	178.1	-167.7	0	0	0	0	111.5	C379 D380 F403 V407	C379-C405 HydrophobicContact CB-CB 3.82Å; D380-C405 PolarHBondContact O-N 3.2Å; F403-C405 HydrophobicContact CD2-CB 3.85Å; F403-C405 HydrophobicContact CE2-CB 3.68Å; C405-V407 PolarHBondContact O-N 3.04Å
406	D	97.2	Very high	92.5	Very high	48 Å²	48	53 Å²	53	26%	0.257	28%	0.282	S	S	.	.			trans	-86.2	97.8	164.4	-175.4	-6.7	0	0	0	109.3	I381 T408 K409 S412	I381-D406 HydrophobicContact CD1-CB 4.3Å; I381-D406 HydrophobicContact CG1-CB 4.36Å; D406-T408 PolarHBondContact O-N 3.34Å; D406-T408 VanDerWaalsContact O-N 3.12Å; D406-T408 VanDerWaalsContact OD1-CB 3.3Å; D406-T408 WeakPolarHBondContact OD1-CB 3.33Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.39Å; D406-T408 PolarHBondContact OD1-N 3.13Å; D406-T408 PolarHBondContact OD1-OG1 3.49Å; D406-T408 PolarHBondContact OD2-OG1 2.91Å; D406-K409 HydrophobicContact CB-CG 4.13Å; D406-K409 PolarHBondContact O-N 3.31Å; D406-K409 VanDerWaalsContact O-N 3.17Å; D406-K409 WeakPolarHBondContact OD2-CE 3.31Å; D406-K409 IonicContact OD2-NZ 3.38Å; D406-S412 VanDerWaalsContact O-CB 3.32Å; D406-S412 WeakPolarHBondContact O-CB 3.41Å; D406-S412 PolarHBondContact O-OG 2.89Å
407	V	97.2	Very high	92.6	Very high	12 Å²	12	52 Å²	52	7%	0.073	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.3	-178.3	-63.2	0	0	0	0	113.9	V336 C405 K409 L413 L447 C455 N458	V336-V407 HydrophobicContact CG1-CB 4.4Å; V336-V407 HydrophobicContact CG1-CG1 3.75Å; V336-V407 HydrophobicContact CG1-CG2 4.2Å; C405-V407 PolarHBondContact O-N 3.04Å; V407-K409 VanDerWaalsContact C-N 3.33Å; V407-L413 HydrophobicContact CG1-CD1 4.3Å; V407-L447 HydrophobicContact CG2-CD1 4.49Å; V407-C455 HydrophobicContact CG2-CB 4.35Å; V407-C455 VanDerWaalsContact O-CA 3.29Å; V407-C455 WeakPolarHBondContact O-CA 3.44Å; V407-N458 PolarHBondContact O-ND2 3.2Å
408	T	96.4	Very high	92.8	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.6	172.9	71.6	0	0	0	0	113	D406 L447 E451 T454	D406-T408 PolarHBondContact O-N 3.34Å; D406-T408 VanDerWaalsContact O-N 3.12Å; D406-T408 VanDerWaalsContact OD1-CB 3.3Å; D406-T408 WeakPolarHBondContact OD1-CB 3.33Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.39Å; D406-T408 PolarHBondContact OD1-N 3.13Å; D406-T408 PolarHBondContact OD1-OG1 3.49Å; D406-T408 PolarHBondContact OD2-OG1 2.91Å; T408-L447 HydrophobicContact CG2-CD1 4.22Å; T408-L447 HydrophobicContact CG2-CD2 3.95Å; T408-E451 HydrophobicContact CG2-CB 3.92Å; T408-T454 WeakPolarHBondContact O-CG2 3.35Å
409	K	96.7	Very high	93	Very high	97 Å²	97	54.3 Å²	54.3	42%	0.422	30%	0.297	S	S	.	.	S	Bend	trans	-87.6	131.4	-178.5	-55.6	-51.9	173.3	-137.8	0	110.8	D406 V407 Y411 S412 E451 N458	D406-K409 HydrophobicContact CB-CG 4.13Å; D406-K409 PolarHBondContact O-N 3.31Å; D406-K409 VanDerWaalsContact O-N 3.17Å; D406-K409 WeakPolarHBondContact OD2-CE 3.31Å; D406-K409 IonicContact OD2-NZ 3.38Å; V407-K409 VanDerWaalsContact C-N 3.33Å; K409-Y411 PolarHBondContact O-N 3.42Å; K409-S412 WeakPolarHBondContact O-CB 3.43Å; K409-S412 PolarHBondContact O-N 2.89Å; K409-S412 PolarHBondContact O-OG 3.11Å; K409-E451 IonicContact NZ-OE1 3.04Å; K409-E451 PolarHBondContact NZ-OE1 3.28Å; K409-N458 PolarHBondContact O-ND2 2.81Å
410	P	94.2	Very high	92.9	Very high	86 Å²	86	49.5 Å²	49.5	56%	0.558	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	133.1	178.6	-27.4	34.6	0	0	0	112.2	S412 T454	P410-S412 PolarHBondContact O-N 3.19Å; P410-S412 VanDerWaalsContact O-N 3.09Å; P410-T454 HydrophobicContact CG-CG2 4.06Å
411	Y	92.5	Very high	91.7	Very high	172 Å²	172	50.5 Å²	50.5	68%	0.675	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	3.9	177.8	-44.2	-71.2	0	0	0	116.4	K409 L413 K414 A415 N458	K409-Y411 PolarHBondContact O-N 3.42Å; Y411-L413 VanDerWaalsContact C-N 3.31Å; Y411-L413 PolarHBondContact O-N 3.05Å; Y411-K414 PolarHBondContact O-N 2.96Å; Y411-A415 WeakPolarHBondContact O-CB 3.48Å; Y411-A415 PolarHBondContact O-N 2.84Å; Y411-N458 WeakPolarHBondContact CA-OD1 3.49Å; Y411-N458 PolarHBondContact N-OD1 2.78Å
412	S	95.5	Very high	89.7	Confident	24 Å²	24	53.2 Å²	53.2	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-41.9	-175.2	61.5	0	0	0	0	112.8	D406 K409 P410 A415 A416	D406-S412 VanDerWaalsContact O-CB 3.32Å; D406-S412 WeakPolarHBondContact O-CB 3.41Å; D406-S412 PolarHBondContact O-OG 2.89Å; K409-S412 WeakPolarHBondContact O-CB 3.43Å; K409-S412 PolarHBondContact O-N 2.89Å; K409-S412 PolarHBondContact O-OG 3.11Å; P410-S412 PolarHBondContact O-N 3.19Å; P410-S412 VanDerWaalsContact O-N 3.09Å; S412-A415 PolarHBondContact O-N 3.23Å; S412-A416 WeakPolarHBondContact O-CB 3.48Å; S412-A416 PolarHBondContact O-N 3.19Å
413	L	93.7	Very high	87.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-42.3	-178.4	-165.3	59.7	0	0	0	111.7	L334 V336 F403 V407 Y411 A416 L417 N458 V459 V462	L334-L413 HydrophobicContact CD2-CD1 4.08Å; L334-L413 HydrophobicContact CD2-CD2 3.9Å; L334-L413 HydrophobicContact CD2-CG 4.18Å; V336-L413 HydrophobicContact CG2-CD2 4.2Å; F403-L413 HydrophobicContact CE2-CD1 4.19Å; F403-L413 HydrophobicContact CZ-CD1 4.09Å; V407-L413 HydrophobicContact CG1-CD1 4.3Å; Y411-L413 VanDerWaalsContact C-N 3.31Å; Y411-L413 PolarHBondContact O-N 3.05Å; L413-A416 PolarHBondContact O-N 3.34Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 2.91Å; L413-N458 HydrophobicContact CB-CB 4.09Å; L413-N458 HydrophobicContact CD2-CB 4.48Å; L413-V459 HydrophobicContact CD2-CG2 4.37Å; L413-V462 HydrophobicContact CB-CG1 4.3Å; L413-V462 HydrophobicContact CD2-CG1 4.26Å; L413-V462 HydrophobicContact CD2-CG2 3.68Å; L413-V462 HydrophobicContact CG-CG1 4.06Å; L413-V462 HydrophobicContact CG-CG2 4.25Å
414	K	92.1	Very high	84.4	Confident	116 Å²	116	60.4 Å²	60.4	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-47	175.8	-174	174.4	-178.5	176.3	0	111	Y411 A416 L417 S418 V462	Y411-K414 PolarHBondContact O-N 2.96Å; K414-A416 PolarHBondContact O-N 2.77Å; K414-L417 PolarHBondContact O-N 2.85Å; K414-S418 WeakPolarHBondContact O-CB 3.46Å; K414-S418 PolarHBondContact O-N 2.86Å; K414-S418 PolarHBondContact O-OG 3.34Å; K414-S418 VanDerWaalsContact O-OG 3.1Å; K414-V462 HydrophobicContact CB-CG1 4.14Å
415	A	91	Very high	81.4	Confident	63 Å²	63	64 Å²	64	52%	0.521	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-44.7	178.1	0	0	0	0	0	112.2	Y411 S412 S418 S419	Y411-A415 WeakPolarHBondContact O-CB 3.48Å; Y411-A415 PolarHBondContact O-N 2.84Å; S412-A415 PolarHBondContact O-N 3.23Å; A415-S418 PolarHBondContact O-N 2.89Å; A415-S419 PolarHBondContact O-N 3.11Å; A415-S419 VanDerWaalsContact O-N 3.07Å
416	A	92.5	Very high	78.7	Confident	17 Å²	17	72.5 Å²	72.5	14%	0.14	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-47.2	178.5	0	0	0	0	0	112	F403 S412 L413 K414 S418 S419 L420	F403-A416 HydrophobicContact CD2-CB 3.61Å; F403-A416 HydrophobicContact CE2-CB 3.34Å; F403-A416 HydrophobicContact CZ-CB 4.2Å; S412-A416 WeakPolarHBondContact O-CB 3.48Å; S412-A416 PolarHBondContact O-N 3.19Å; L413-A416 PolarHBondContact O-N 3.34Å; K414-A416 PolarHBondContact O-N 2.77Å; A416-S418 PolarHBondContact O-N 2.86Å; A416-S419 PolarHBondContact O-N 2.98Å; A416-S419 PolarHBondContact O-OG 3.35Å; A416-L420 PolarHBondContact O-N 3.36Å
417	L	90.3	Very high	75.9	Confident	13 Å²	13	76.7 Å²	76.7	7%	0.068	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177.5	-70.1	174.6	0	0	0	112.4	L334 Y377 F403 L413 K414 S419 L420 N421 V435 V462	L334-L417 HydrophobicContact CD2-CD1 4.25Å; Y377-L417 HydrophobicContact CD1-CD2 3.6Å; Y377-L417 HydrophobicContact CD2-CD2 4.42Å; Y377-L417 HydrophobicContact CE1-CD2 4.03Å; Y377-L417 HydrophobicContact CG-CD2 3.82Å; F403-L417 HydrophobicContact CE1-CD2 3.89Å; F403-L417 HydrophobicContact CZ-CD2 3.83Å; F403-L417 HydrophobicContact CZ-CG 4.23Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 2.91Å; K414-L417 PolarHBondContact O-N 2.85Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.4Å; L417-L420 PolarHBondContact O-N 3.13Å; L417-N421 PolarHBondContact O-N 3.28Å; L417-N421 PolarHBondContact O-ND2 3.23Å; L417-N421 VanDerWaalsContact O-ND2 3.09Å; L417-V435 HydrophobicContact CD1-CG2 4.15Å; L417-V462 HydrophobicContact CD1-CB 3.88Å; L417-V462 HydrophobicContact CD1-CG1 3.81Å; L417-V462 HydrophobicContact CD1-CG2 4.34Å
418	S	86.5	Confident	73.2	Confident	73 Å²	73	79.6 Å²	79.6	51%	0.51	44%	0.437	S	S	.	.	H	α-helix	trans	-60.3	-37.6	174.6	-66.9	0	0	0	0	112.4	K414 A415 A416 L420 N421	K414-S418 WeakPolarHBondContact O-CB 3.46Å; K414-S418 PolarHBondContact O-N 2.86Å; K414-S418 PolarHBondContact O-OG 3.34Å; K414-S418 VanDerWaalsContact O-OG 3.1Å; A415-S418 PolarHBondContact O-N 2.89Å; A416-S418 PolarHBondContact O-N 2.86Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 3.29Å; S418-N421 PolarHBondContact O-N 2.87Å
419	S	84.7	Confident	70.1	Confident	81 Å²	81	84.8 Å²	84.8	57%	0.566	47%	0.465	S	S	*	.	H	α-helix	trans	-69.3	-26.9	178.4	74.3	0	0	0	0	114.3	A415 A416 L417 S422	A415-S419 PolarHBondContact O-N 3.11Å; A415-S419 VanDerWaalsContact O-N 3.07Å; A416-S419 PolarHBondContact O-N 2.98Å; A416-S419 PolarHBondContact O-OG 3.35Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.4Å; S419-S422 PolarHBondContact O-OG 3.12Å
420	L	81.9	Confident	67.4	Low	57 Å²	57	86.5 Å²	86.5	30%	0.298	48%	0.479	S	S	.	.	H	α-helix	trans	-79.5	-23.6	178.5	-69.5	170	0	0	0	113.1	Y377 N401 F403 A416 L417 S418 S422	Y377-L420 HydrophobicContact CD1-CD1 4.2Å; Y377-L420 HydrophobicContact CE1-CD1 4.47Å; N401-L420 HydrophobicContact CB-CD1 4.13Å; F403-L420 HydrophobicContact CB-CD1 4.37Å; F403-L420 HydrophobicContact CD1-CD1 3.35Å; F403-L420 HydrophobicContact CE1-CD1 3.67Å; F403-L420 HydrophobicContact CG-CD1 3.94Å; A416-L420 PolarHBondContact O-N 3.36Å; L417-L420 PolarHBondContact O-N 3.13Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 3.29Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 3.06Å
421	N	64.3	Low	64.6	Low	39 Å²	39	87.4 Å²	87.4	21%	0.209	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	13.2	-173	-66.8	-30.8	0	0	0	113.5	Y377 L417 S418 V423 F428	Y377-N421 PolarHBondContact OH-OD1 3.13Å; L417-N421 PolarHBondContact O-N 3.28Å; L417-N421 PolarHBondContact O-ND2 3.23Å; L417-N421 VanDerWaalsContact O-ND2 3.09Å; S418-N421 PolarHBondContact O-N 2.87Å; N421-V423 PolarHBondContact O-N 2.89Å; N421-F428 HydrophobicContact CB-CD2 4.17Å; N421-F428 HydrophobicContact CB-CE1 4.25Å; N421-F428 HydrophobicContact CB-CE2 3.81Å; N421-F428 HydrophobicContact CB-CZ 3.86Å; N421-F428 WeakPolarHBondContact ND2-CE1 3.45Å; N421-F428 WeakPolarHBondContact ND2-CZ 3.42Å
422	S	50.4	Low	62.7	Low	102 Å²	102	86.1 Å²	86.1	71%	0.713	49%	0.494	S	S	*	.			trans	-71.8	36.3	179.4	-49.2	0	0	0	0	114.8	S419 L420	S419-S422 PolarHBondContact O-OG 3.12Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 3.06Å
423	V	42.9	Very low	61	Low	109 Å²	109	90.6 Å²	90.6	66%	0.661	51%	0.512	S	S	*	.	S	Bend	trans	-113.2	102.4	175.4	-177.7	0	0	0	0	108.8	N421	N421-V423 PolarHBondContact O-N 2.89Å
424	S	38.1	Very low	60.3	Low	77 Å²	77	92 Å²	92	54%	0.538	53%	0.526	S	S	.	.			trans	50.6	115.3	178.6	64.2	0	0	0	0	117.6	Q426	S424-Q426 PolarHBondContact O-N 3.46Å
425	D	33.6	Very low	60.2	Low	138 Å²	138	86.9 Å²	86.9	74%	0.738	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	9.1	174.8	-64.4	-49.2	0	0	0	116.3	N429	D425-N429 PolarHBondContact O-ND2 3.29Å
426	Q	40.1	Very low	60.1	Low	188 Å²	188	85.4 Å²	85.4	88%	0.879	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-11.3	-177.2	-71.7	-172.4	-10	0	0	115.1	S424	S424-Q426 PolarHBondContact O-N 3.46Å
427	E	39.5	Very low	60.1	Low	137 Å²	137	85 Å²	85	64%	0.64	48%	0.483	S	S	*	.	S	Bend	trans	-114.7	-13.8	177.5	-75.4	-169.7	162.7	0	0	115.1	R375	R375-E427 IonicContact NH2-OE2 3.21Å
428	F	39.2	Very low	60.3	Low	72 Å²	72	84.3 Å²	84.3	32%	0.316	48%	0.48	S	S	.	.	S	Bend	trans	-103.9	-5.3	-174.7	-107.4	-86.5	0	0	0	115.1	N421	N421-F428 HydrophobicContact CB-CD2 4.17Å; N421-F428 HydrophobicContact CB-CE1 4.25Å; N421-F428 HydrophobicContact CB-CE2 3.81Å; N421-F428 HydrophobicContact CB-CZ 3.86Å; N421-F428 WeakPolarHBondContact ND2-CE1 3.45Å; N421-F428 WeakPolarHBondContact ND2-CZ 3.42Å
429	N	33.2	Very low	60.9	Low	119 Å²	119	80.9 Å²	80.9	64%	0.636	46%	0.456	S	S	*	.			trans	-90.6	7.8	-170.8	-81.8	-32.4	0	0	0	115.8	D425 A431	D425-N429 PolarHBondContact O-ND2 3.29Å; N429-A431 PolarHBondContact O-N 3.33Å
430	N	38.8	Very low	61.5	Low	133 Å²	133	77 Å²	77	71%	0.711	43%	0.429	S	S	*	.	S	Bend	trans	-93.1	88.3	165.9	-74.1	-9.9	0	0	0	109.8	E432	N430-E432 VanDerWaalsContact C-N 3.27Å; N430-E432 PolarHBondContact O-N 3.32Å
431	A	36.1	Very low	62.2	Low	105 Å²	105	74.8 Å²	74.8	87%	0.868	42%	0.417	S	S	*	.	S	Bend	trans	2.6	11.4	161.7	0	0	0	0	0	125.2	N429	N429-A431 PolarHBondContact O-N 3.33Å
432	E	51.9	Low	63.7	Low	146 Å²	146	74.6 Å²	74.6	68%	0.682	41%	0.414	S	S	*	.			trans	-140	7.8	-172.9	-74.9	-172.5	161.5	0	0	116.9	N430 G434	N430-E432 VanDerWaalsContact C-N 3.27Å; N430-E432 PolarHBondContact O-N 3.32Å; E432-G434 PolarHBondContact O-N 3.47Å
433	H	60.9	Low	66	Low	118 Å²	118	70.4 Å²	70.4	55%	0.546	38%	0.384	S	S	.	.			trans	-102.5	85.9	-163.7	-67.1	-3.5	0	0	0	115.3
434	G	78.6	Confident	68.6	Low	30 Å²	30	65.2 Å²	65.2	31%	0.309	35%	0.353	S	S	.	.			trans	-85.6	-170.8	162.8	0	0	0	0	0	113.3	E432 V462	E432-G434 PolarHBondContact O-N 3.47Å; G434-V462 CarbonylContact C-O 3.5Å; G434-V462 WeakPolarHBondContact CA-O 3.38Å
435	V	88.9	Confident	71.4	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.4	173.8	-174.9	0	0	0	0	110.2	S332 L334 L417 L437 V438 V462 L463 S464	S332-V435 WeakPolarHBondContact O-CG1 3.45Å; S332-V435 VanDerWaalsContact OG-CA 3.25Å; S332-V435 WeakPolarHBondContact OG-CA 3.25Å; L334-V435 HydrophobicContact CB-CG1 3.82Å; L334-V435 HydrophobicContact CB-CG2 4.27Å; L417-V435 HydrophobicContact CD1-CG2 4.15Å; V435-L437 WeakPolarHBondContact CG1-O 3.48Å; V435-V438 HydrophobicContact CB-CG2 4.39Å; V435-V438 HydrophobicContact CG1-CG2 4.27Å; V435-V462 PolarHBondContact N-O 3.48Å; V435-L463 CarbonylContact O-C 3.59Å; V435-L463 WeakPolarHBondContact O-CA 3.33Å; V435-L463 WeakPolarHBondContact O-CD2 3.37Å; V435-S464 PolarHBondContact O-N 2.96Å; V435-S464 PolarHBondContact O-OG 3.14Å
436	D	89.4	Confident	74.5	Confident	32 Å²	32	55.5 Å²	55.5	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-42.4	-178.3	-57.8	-69.3	0	0	0	112.8	R331 S332 S464 G467 R468	R331-D436 VanDerWaalsContact CA-OD2 3.3Å; R331-D436 WeakPolarHBondContact CA-OD2 3.25Å; R331-D436 HydrophobicContact CG-CB 4.49Å; S332-D436 PolarHBondContact N-OD2 3.08Å; S332-D436 PolarHBondContact O-N 2.85Å; S332-D436 PolarHBondContact OG-N 2.89Å; S332-D436 PolarHBondContact OG-OD2 2.86Å; D436-S464 PolarHBondContact OD1-OG 3.48Å; D436-G467 CarbonylContact O-C 3.58Å; D436-G467 WeakPolarHBondContact O-CA 3.39Å; D436-R468 PolarHBondContact O-N 3.18Å
437	L	92.4	Very high	77.2	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.7	176.9	-65.9	-175.6	0	0	0	111.1	E321 L322 L325 S332 L333 L334 V435 R468	E321-L437 HydrophobicContact CB-CD2 4.3Å; L322-L437 HydrophobicContact CD2-CD1 4.25Å; L325-L437 HydrophobicContact CD1-CD1 3.93Å; L325-L437 HydrophobicContact CD2-CD1 3.39Å; L325-L437 HydrophobicContact CD2-CG 4.16Å; L325-L437 HydrophobicContact CG-CD1 3.72Å; S332-L437 PolarHBondContact O-N 3.35Å; L333-L437 CarbonylContact C-O 3.52Å; L333-L437 WeakPolarHBondContact CA-O 3.32Å; L333-L437 HydrophobicContact CD1-CB 3.88Å; L334-L437 PolarHBondContact N-O 3.14Å; V435-L437 WeakPolarHBondContact CG1-O 3.48Å; L437-R468 WeakPolarHBondContact CA-O 3.3Å; L437-R468 HydrophobicContact CD2-CB 3.8Å
438	V	96	Very high	79.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.9	168.4	178.7	0	0	0	0	108.8	L334 V336 V435 V459 V462 L463 R468 L469 L470	L334-V438 HydrophobicContact CB-CG2 4.2Å; L334-V438 HydrophobicContact CD2-CG2 4.24Å; L334-V438 CarbonylContact O-C 3.51Å; L334-V438 VanDerWaalsContact O-CA 3.28Å; L334-V438 WeakPolarHBondContact O-CA 3.44Å; V336-V438 HydrophobicContact CG2-CG1 3.81Å; V435-V438 HydrophobicContact CB-CG2 4.39Å; V435-V438 HydrophobicContact CG1-CG2 4.27Å; V438-V459 HydrophobicContact CB-CG1 4.11Å; V438-V459 HydrophobicContact CG1-CG1 3.83Å; V438-V459 HydrophobicContact CG1-CG2 4.24Å; V438-V459 HydrophobicContact CG2-CG1 4.34Å; V438-V462 HydrophobicContact CG2-CG2 4.48Å; V438-L463 HydrophobicContact CB-CD2 4.11Å; V438-L463 HydrophobicContact CG2-CD2 3.49Å; V438-L463 VanDerWaalsContact CG2-CD2 3.49Å; V438-L463 HydrophobicContact CG2-CG 3.92Å; V438-R468 PolarHBondContact N-O 2.78Å; V438-L469 HydrophobicContact CB-CD1 4.25Å; V438-L469 HydrophobicContact CG1-CD1 4.07Å; V438-L469 CarbonylContact O-C 3.58Å; V438-L469 WeakPolarHBondContact O-CA 3.46Å; V438-L470 PolarHBondContact O-N 3.16Å
439	T	97.2	Very high	82.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.7	171.9	60.9	0	0	0	0	109.8	L322 L333 L334 E335 V336 F343 L470	L322-T439 HydrophobicContact CD2-CG2 4.45Å; L333-T439 HydrophobicContact CD1-CG2 3.98Å; L334-T439 PolarHBondContact O-N 2.75Å; E335-T439 WeakPolarHBondContact CA-OG1 3.31Å; E335-T439 WeakPolarHBondContact CB-OG1 3.17Å; E335-T439 WeakPolarHBondContact CG-OG1 3.28Å; V336-T439 PolarHBondContact N-O 2.67Å; F343-T439 HydrophobicContact CE1-CG2 3.71Å; F343-T439 HydrophobicContact CE2-CG2 4.46Å; F343-T439 HydrophobicContact CZ-CG2 3.52Å; T439-L470 WeakPolarHBondContact CA-O 3.49Å; T439-L470 HydrophobicContact CG2-CB 4.15Å; T439-L470 HydrophobicContact CG2-CD1 4.09Å; T439-L470 HydrophobicContact CG2-CG 4.5Å
440	L	97.9	Very high	85.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	81.2	178.4	-166.3	74.9	0	0	0	108.3	V336 V443 L444 L456 L469 L470 F471 R472	V336-L440 HydrophobicContact CB-CD1 3.72Å; V336-L440 HydrophobicContact CG1-CD1 3.51Å; L440-V443 HydrophobicContact CD1-CB 3.65Å; L440-V443 HydrophobicContact CD1-CG1 3.76Å; L440-V443 HydrophobicContact CD1-CG2 4.07Å; L440-V443 HydrophobicContact CG-CB 4Å; L440-V443 HydrophobicContact CG-CG2 4.46Å; L440-L444 HydrophobicContact CD2-CB 4.43Å; L440-L456 HydrophobicContact CD2-CD2 3.88Å; L440-L469 HydrophobicContact CB-CD1 3.68Å; L440-L470 PolarHBondContact N-O 3.03Å; L440-F471 HydrophobicContact CB-CD2 4.27Å; L440-F471 HydrophobicContact CD2-CD2 3.94Å; L440-F471 HydrophobicContact CD2-CE2 4.15Å; L440-F471 HydrophobicContact CG-CD2 4.34Å; L440-R472 PolarHBondContact O-N 3.01Å
441	I	96.9	Very high	88.2	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.2	-167.5	-54.2	-61.2	0	0	0	110.3	W314 F319 F343 R472	W314-I441 HydrophobicContact CH2-CG2 4.3Å; F319-I441 HydrophobicContact CE2-CD1 3.9Å; F319-I441 HydrophobicContact CZ-CD1 4.12Å; F343-I441 HydrophobicContact CD2-CG1 3.95Å; F343-I441 HydrophobicContact CE2-CD1 4.46Å; F343-I441 HydrophobicContact CE2-CG1 3.9Å; I441-R472 CarbonylContact C-O 3.51Å; I441-R472 HydrophobicContact CD1-CB 3.81Å; I441-R472 HydrophobicContact CG2-CB 4.44Å
442	F	96.2	Very high	91.1	Very high	36 Å²	36	29.2 Å²	29.2	16%	0.158	15%	0.151	C	C	.	.	S	Bend	trans	61.1	40.1	-175.2	-57.8	-73.7	0	0	0	114.3	R472 Y474 F547	F442-R472 HydrophobicContact CZ-CG 4.22Å; F442-R472 PolarHBondContact N-O 3.04Å; F442-Y474 HydrophobicContact CD1-CD1 4.36Å; F442-Y474 HydrophobicContact CD1-CD2 4.27Å; F442-Y474 HydrophobicContact CD1-CE1 4.01Å; F442-Y474 AromaticContact CD1-CE2 3.91Å; F442-Y474 HydrophobicContact CD1-CE2 3.91Å; F442-Y474 HydrophobicContact CD1-CG 4.47Å; F442-Y474 AromaticContact CD1-CZ 3.77Å; F442-Y474 HydrophobicContact CE1-CD1 4.09Å; F442-Y474 AromaticContact CE1-CE1 3.89Å; F442-Y474 HydrophobicContact CE1-CE1 3.89Å; F442-F547 AromaticContact CE1-CD1 3.64Å; F442-F547 HydrophobicContact CE1-CD1 3.64Å; F442-F547 AromaticContact CE1-CE1 3.76Å; F442-F547 HydrophobicContact CE1-CE1 3.76Å; F442-F547 AromaticContact CZ-CD1 3.84Å; F442-F547 HydrophobicContact CZ-CD1 3.84Å; F442-F547 AromaticContact CZ-CE1 3.84Å; F442-F547 HydrophobicContact CZ-CE1 3.84Å
443	V	98	Very high	93.3	Very high	14 Å²	14	25.4 Å²	25.4	9%	0.085	13%	0.134	C	C	.	.			trans	-109	-46.1	-177.1	-177.9	0	0	0	0	111.8	V336 L440 S445 A446 D473	V336-V443 HydrophobicContact CG1-CG1 4.45Å; V336-V443 VanDerWaalsContact O-CG2 3.3Å; V336-V443 WeakPolarHBondContact O-CG2 3.45Å; L440-V443 HydrophobicContact CD1-CB 3.65Å; L440-V443 HydrophobicContact CD1-CG1 3.76Å; L440-V443 HydrophobicContact CD1-CG2 4.07Å; L440-V443 HydrophobicContact CG-CB 4Å; L440-V443 HydrophobicContact CG-CG2 4.46Å; V443-S445 PolarHBondContact O-N 3.48Å; V443-A446 WeakPolarHBondContact O-CA 3.2Å; V443-A446 VanDerWaalsContact O-CB 3.3Å; V443-A446 WeakPolarHBondContact O-CB 3.47Å; V443-A446 PolarHBondContact O-N 3.46Å; V443-D473 PolarHBondContact N-OD2 2.89Å
444	L	98	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.7	-37.2	-174.2	-161.1	66.4	0	0	0	110.4	L440 A446 L447 M452 C455 L456 F471 D473 F508 L513 L516	L440-L444 HydrophobicContact CD2-CB 4.43Å; L444-A446 PolarHBondContact O-N 3.43Å; L444-L447 HydrophobicContact CD1-CD1 4.21Å; L444-L447 PolarHBondContact O-N 3.4Å; L444-L447 VanDerWaalsContact O-N 3.13Å; L444-M452 HydrophobicContact CD1-CB 3.62Å; L444-M452 HydrophobicContact CD1-CG 3.68Å; L444-M452 HydrophobicContact CG-CB 4.09Å; L444-M452 HydrophobicContact CG-CG 3.8Å; L444-M452 HydrophobicContact CG-SD 4.03Å; L444-M452 WeakPolarHBondContact O-CE 3.26Å; L444-C455 HydrophobicContact CD1-CB 4.48Å; L444-L456 HydrophobicContact CD1-CG 4.31Å; L444-L456 HydrophobicContact CD2-CD1 4.26Å; L444-F471 HydrophobicContact CB-CE2 3.87Å; L444-F471 HydrophobicContact CB-CZ 4.37Å; L444-F471 HydrophobicContact CD2-CE2 3.88Å; L444-F471 HydrophobicContact CD2-CZ 4.18Å; L444-D473 PolarHBondContact N-OD2 3.23Å; L444-F508 HydrophobicContact CB-CE2 4.35Å; L444-F508 HydrophobicContact CB-CZ 3.91Å; L444-F508 HydrophobicContact CD2-CE1 3.94Å; L444-F508 HydrophobicContact CD2-CZ 3.79Å; L444-F508 HydrophobicContact CG-CE1 4.29Å; L444-F508 HydrophobicContact CG-CZ 3.77Å; L444-L513 HydrophobicContact CD2-CD2 4.05Å; L444-L516 HydrophobicContact CD2-CD1 4.32Å
445	S	97.7	Very high	96	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-64.7	-18.5	174.9	62.6	0	0	0	0	115.4	V443 L447 D473 Y474 L504 S505 Y506	V443-S445 PolarHBondContact O-N 3.48Å; S445-L447 VanDerWaalsContact C-N 3.34Å; S445-D473 VanDerWaalsContact CB-CG 3.5Å; S445-D473 WeakPolarHBondContact CB-OD1 3.38Å; S445-D473 WeakPolarHBondContact CB-OD2 3.1Å; S445-D473 PolarHBondContact N-OD2 3.11Å; S445-D473 VanDerWaalsContact OG-CG 3.24Å; S445-D473 PolarHBondContact OG-OD1 3.38Å; S445-D473 PolarHBondContact OG-OD2 3.09Å; S445-Y474 WeakPolarHBondContact OG-CD2 3.41Å; S445-L504 CarbonylContact O-C 3.58Å; S445-S505 CarbonylContact O-C 3.56Å; S445-S505 WeakPolarHBondContact O-CA 3.42Å; S445-S505 PolarHBondContact O-N 3.08Å; S445-Y506 WeakPolarHBondContact CB-O 3.32Å; S445-Y506 PolarHBondContact O-N 2.83Å; S445-Y506 VanDerWaalsContact O-N 3.13Å
446	A	97.1	Very high	96.5	Very high	8 Å²	8	20 Å²	20	7%	0.066	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-86.9	-5.2	177	0	0	0	0	0	113.3	W297 V443 L444	W297-A446 HydrophobicContact CZ2-CB 3.58Å; V443-A446 WeakPolarHBondContact O-CA 3.2Å; V443-A446 VanDerWaalsContact O-CB 3.3Å; V443-A446 WeakPolarHBondContact O-CB 3.47Å; V443-A446 PolarHBondContact O-N 3.46Å; L444-A446 PolarHBondContact O-N 3.43Å
447	L	97.1	Very high	96.9	Very high	14 Å²	14	21 Å²	21	7%	0.073	11%	0.113	C	C	.	.	S	Bend	trans	-96	161.7	-176.9	-54.5	-174.4	0	0	0	112	V407 T408 L444 S445 M452 C455	V407-L447 HydrophobicContact CG2-CD1 4.49Å; T408-L447 HydrophobicContact CG2-CD1 4.22Å; T408-L447 HydrophobicContact CG2-CD2 3.95Å; L444-L447 HydrophobicContact CD1-CD1 4.21Å; L444-L447 PolarHBondContact O-N 3.4Å; L444-L447 VanDerWaalsContact O-N 3.13Å; S445-L447 VanDerWaalsContact C-N 3.34Å; L447-M452 HydrophobicContact CB-CG 4.34Å; L447-C455 HydrophobicContact CD1-CB 3.63Å
448	N	95.4	Very high	97.1	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.112	11%	0.112	C	C	.	.			trans	-61.5	126.7	163.5	-176.6	7.3	0	0	0	109	F290 Q450 E451 M452	F290-N448 HydrophobicContact CD1-CB 3.93Å; F290-N448 HydrophobicContact CE1-CB 4.14Å; F290-N448 HydrophobicContact CG-CB 4.25Å; F290-N448 WeakPolarHBondContact CZ-OD1 3.28Å; N448-Q450 PolarHBondContact O-N 3.34Å; N448-Q450 PolarHBondContact OD1-OE1 3.02Å; N448-E451 HydrophobicContact CB-CB 4.35Å; N448-E451 HydrophobicContact CB-CG 4.21Å; N448-E451 VanDerWaalsContact CB-OE2 3.3Å; N448-E451 WeakPolarHBondContact CB-OE2 3.13Å; N448-E451 PolarHBondContact O-N 3.24Å; N448-M452 PolarHBondContact O-N 3.25Å
449	P	95.2	Very high	97.2	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.091	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-53.7	-32.3	-177.5	-29.4	36.9	0	0	0	114.5	E451 M452 F491 Y506	P449-E451 PolarHBondContact O-N 2.81Å; P449-M452 HydrophobicContact CB-CE 4.1Å; P449-M452 HydrophobicContact CB-SD 4.3Å; P449-M452 HydrophobicContact CG-CE 4.03Å; P449-M452 PolarHBondContact O-N 2.77Å; P449-F491 HydrophobicContact CG-CE2 4.05Å; P449-Y506 HydrophobicContact CB-CD2 4.48Å; P449-Y506 HydrophobicContact CB-CE2 4.03Å; P449-Y506 HydrophobicContact CG-CD2 3.69Å; P449-Y506 HydrophobicContact CG-CE2 3.59Å
450	Q	94.5	Very high	97.1	Very high	102 Å²	102	21.4 Å²	21.4	48%	0.477	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-68.5	-20.6	177.9	-72.8	79.1	-17.7	0	0	113.3	N448	N448-Q450 PolarHBondContact O-N 3.34Å; N448-Q450 PolarHBondContact OD1-OE1 3.02Å
451	E	96.3	Very high	96.9	Very high	50 Å²	50	23.8 Å²	23.8	23%	0.234	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-103.9	-4.1	-177.9	-64.2	176.7	137.4	0	0	112.8	T408 K409 N448 P449 L453 T454 C455	T408-E451 HydrophobicContact CG2-CB 3.92Å; K409-E451 IonicContact NZ-OE1 3.04Å; K409-E451 PolarHBondContact NZ-OE1 3.28Å; N448-E451 HydrophobicContact CB-CB 4.35Å; N448-E451 HydrophobicContact CB-CG 4.21Å; N448-E451 VanDerWaalsContact CB-OE2 3.3Å; N448-E451 WeakPolarHBondContact CB-OE2 3.13Å; N448-E451 PolarHBondContact O-N 3.24Å; P449-E451 PolarHBondContact O-N 2.81Å; E451-L453 PolarHBondContact O-N 3.39Å; E451-T454 WeakPolarHBondContact O-CB 3.37Å; E451-T454 PolarHBondContact O-N 3.08Å; E451-C455 PolarHBondContact O-N 3.25Å
452	M	98	Very high	96.8	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-42.4	-179.3	-72.8	177.8	-177	0	0	112.5	L444 L447 N448 P449 T454 C455 L456 Y506 F508 L516	L444-M452 HydrophobicContact CD1-CB 3.62Å; L444-M452 HydrophobicContact CD1-CG 3.68Å; L444-M452 HydrophobicContact CG-CB 4.09Å; L444-M452 HydrophobicContact CG-CG 3.8Å; L444-M452 HydrophobicContact CG-SD 4.03Å; L444-M452 WeakPolarHBondContact O-CE 3.26Å; L447-M452 HydrophobicContact CB-CG 4.34Å; N448-M452 PolarHBondContact O-N 3.25Å; P449-M452 HydrophobicContact CB-CE 4.1Å; P449-M452 HydrophobicContact CB-SD 4.3Å; P449-M452 HydrophobicContact CG-CE 4.03Å; P449-M452 PolarHBondContact O-N 2.77Å; M452-T454 VanDerWaalsContact C-N 3.34Å; M452-T454 PolarHBondContact O-N 3.05Å; M452-C455 WeakPolarHBondContact O-CB 3.45Å; M452-C455 PolarHBondContact O-N 2.77Å; M452-L456 PolarHBondContact O-N 2.98Å; M452-Y506 HydrophobicContact CE-CD1 4.12Å; M452-Y506 HydrophobicContact CE-CD2 3.82Å; M452-Y506 HydrophobicContact CE-CE2 4.37Å; M452-Y506 HydrophobicContact CE-CG 3.67Å; M452-F508 HydrophobicContact CE-CE1 4.03Å; M452-F508 HydrophobicContact CE-CZ 3.81Å; M452-F508 HydrophobicContact SD-CE1 3.66Å; M452-F508 HydrophobicContact SD-CZ 3.9Å; M452-L516 HydrophobicContact CB-CD2 4.48Å; M452-L516 HydrophobicContact SD-CD1 4.49Å
453	L	98	Very high	96.6	Very high	65 Å²	65	22.1 Å²	22.1	34%	0.34	13%	0.126	S	C	.	.	H	α-helix	trans	-63.1	-41.6	176.4	-179.9	59.8	0	0	0	111.1	E451 C455 L456 C457 L516 N519 A520	E451-L453 PolarHBondContact O-N 3.39Å; L453-C455 VanDerWaalsContact C-N 3.31Å; L453-C455 PolarHBondContact O-N 3.04Å; L453-L456 PolarHBondContact O-N 3Å; L453-C457 WeakPolarHBondContact O-CB 3.08Å; L453-C457 PolarHBondContact O-N 3.25Å; L453-C457 PolarHBondContact O-SG 3.05Å; L453-L516 HydrophobicContact CB-CD2 4.34Å; L453-N519 HydrophobicContact CD1-CB 3.75Å; L453-N519 HydrophobicContact CD2-CB 4.46Å; L453-A520 HydrophobicContact CD1-CB 4.09Å
454	T	98.1	Very high	96.2	Very high	42 Å²	42	22 Å²	22	26%	0.258	13%	0.126	S	C	.	.	H	α-helix	trans	-61	-41	176.4	-52.3	0	0	0	0	111.8	T408 P410 E451 M452 C457 N458	T408-T454 WeakPolarHBondContact O-CG2 3.35Å; P410-T454 HydrophobicContact CG-CG2 4.06Å; E451-T454 WeakPolarHBondContact O-CB 3.37Å; E451-T454 PolarHBondContact O-N 3.08Å; M452-T454 VanDerWaalsContact C-N 3.34Å; M452-T454 PolarHBondContact O-N 3.05Å; T454-C457 PolarHBondContact O-N 3.22Å; T454-N458 WeakPolarHBondContact O-CB 3.31Å; T454-N458 PolarHBondContact O-N 3.06Å; T454-N458 PolarHBondContact O-ND2 3.3Å
455	C	98.5	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-47.5	173.2	175.2	0	0	0	0	112	V407 L444 L447 E451 M452 L453 N458 V459	V407-C455 HydrophobicContact CG2-CB 4.35Å; V407-C455 VanDerWaalsContact O-CA 3.29Å; V407-C455 WeakPolarHBondContact O-CA 3.44Å; L444-C455 HydrophobicContact CD1-CB 4.48Å; L447-C455 HydrophobicContact CD1-CB 3.63Å; E451-C455 PolarHBondContact O-N 3.25Å; M452-C455 WeakPolarHBondContact O-CB 3.45Å; M452-C455 PolarHBondContact O-N 2.77Å; L453-C455 VanDerWaalsContact C-N 3.31Å; L453-C455 PolarHBondContact O-N 3.04Å; C455-N458 WeakPolarHBondContact O-CB 3.46Å; C455-N458 PolarHBondContact O-N 3.49Å; C455-V459 WeakPolarHBondContact O-CG2 3.4Å; C455-V459 PolarHBondContact O-N 3.47Å
456	L	98.6	Very high	95.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.4	-37.5	178.9	-67.3	172.2	0	0	0	112.6	L440 L444 M452 L453 N458 V459 A460 L469 L516 F517 A520	L440-L456 HydrophobicContact CD2-CD2 3.88Å; L444-L456 HydrophobicContact CD1-CG 4.31Å; L444-L456 HydrophobicContact CD2-CD1 4.26Å; M452-L456 PolarHBondContact O-N 2.98Å; L453-L456 PolarHBondContact O-N 3Å; L456-N458 VanDerWaalsContact C-N 3.34Å; L456-N458 PolarHBondContact O-N 3.22Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.05Å; L456-A460 WeakPolarHBondContact O-CB 3.44Å; L456-A460 PolarHBondContact O-N 3.08Å; L456-L469 HydrophobicContact CD2-CD2 3.97Å; L456-L516 HydrophobicContact CD1-CB 3.72Å; L456-F517 HydrophobicContact CD1-CD1 4.03Å; L456-F517 HydrophobicContact CD1-CE1 4.24Å; L456-F517 HydrophobicContact CD2-CD1 4.01Å; L456-F517 HydrophobicContact CD2-CE1 3.8Å; L456-A520 HydrophobicContact CB-CB 3.5Å
457	C	97.7	Very high	95	Very high	53 Å²	53	25.5 Å²	25.5	36%	0.358	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-41	172.6	-69.8	0	0	0	0	111.6	L453 T454 A460 S461	L453-C457 WeakPolarHBondContact O-CB 3.08Å; L453-C457 PolarHBondContact O-N 3.25Å; L453-C457 PolarHBondContact O-SG 3.05Å; T454-C457 PolarHBondContact O-N 3.22Å; C457-A460 PolarHBondContact O-N 3.21Å; C457-S461 WeakPolarHBondContact O-CB 3.25Å; C457-S461 PolarHBondContact O-N 3.25Å
458	N	97	Very high	94.9	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-45.9	173.1	-83.1	-31.5	0	0	0	111.2	V407 K409 Y411 L413 T454 C455 L456 S461 V462	V407-N458 PolarHBondContact O-ND2 3.2Å; K409-N458 PolarHBondContact O-ND2 2.81Å; Y411-N458 WeakPolarHBondContact CA-OD1 3.49Å; Y411-N458 PolarHBondContact N-OD1 2.78Å; L413-N458 HydrophobicContact CB-CB 4.09Å; L413-N458 HydrophobicContact CD2-CB 4.48Å; T454-N458 WeakPolarHBondContact O-CB 3.31Å; T454-N458 PolarHBondContact O-N 3.06Å; T454-N458 PolarHBondContact O-ND2 3.3Å; C455-N458 WeakPolarHBondContact O-CB 3.46Å; C455-N458 PolarHBondContact O-N 3.49Å; L456-N458 VanDerWaalsContact C-N 3.34Å; L456-N458 PolarHBondContact O-N 3.22Å; N458-S461 PolarHBondContact O-N 2.93Å; N458-S461 PolarHBondContact O-OG 3.07Å; N458-V462 PolarHBondContact O-N 3.18Å
459	V	97.7	Very high	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-50.3	175.7	167.3	0	0	0	0	111.6	V336 L413 V438 C455 L456 S461 V462 L463 L469	V336-V459 HydrophobicContact CG2-CG2 4.31Å; L413-V459 HydrophobicContact CD2-CG2 4.37Å; V438-V459 HydrophobicContact CB-CG1 4.11Å; V438-V459 HydrophobicContact CG1-CG1 3.83Å; V438-V459 HydrophobicContact CG1-CG2 4.24Å; V438-V459 HydrophobicContact CG2-CG1 4.34Å; C455-V459 WeakPolarHBondContact O-CG2 3.4Å; C455-V459 PolarHBondContact O-N 3.47Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.05Å; V459-S461 PolarHBondContact O-N 3.4Å; V459-V462 VanDerWaalsContact O-CG2 3.24Å; V459-V462 WeakPolarHBondContact O-CG2 3.4Å; V459-V462 PolarHBondContact O-N 3.18Å; V459-L463 HydrophobicContact CG1-CD1 4.19Å; V459-L463 PolarHBondContact O-N 3.04Å; V459-L469 HydrophobicContact CG1-CB 4.48Å; V459-L469 HydrophobicContact CG1-CD1 3.99Å; V459-L469 HydrophobicContact CG1-CD2 4.19Å; V459-L469 HydrophobicContact CG1-CG 4.45Å
460	A	96.1	Very high	95	Very high	12 Å²	12	27.2 Å²	27.2	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-34.1	178.2	0	0	0	0	0	112.4	L456 C457 V462 A520 L522 K554	L456-A460 WeakPolarHBondContact O-CB 3.44Å; L456-A460 PolarHBondContact O-N 3.08Å; C457-A460 PolarHBondContact O-N 3.21Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 2.98Å; A460-A520 VanDerWaalsContact CB-O 3.3Å; A460-A520 WeakPolarHBondContact CB-O 3.32Å; A460-L522 HydrophobicContact CB-CD2 3.88Å; A460-L522 HydrophobicContact CB-CG 4.07Å; A460-K554 WeakPolarHBondContact O-CD 3.29Å; A460-K554 PolarHBondContact O-NZ 3.38Å
461	S	93.4	Very high	95.2	Very high	49 Å²	49	22.3 Å²	22.3	34%	0.343	13%	0.132	S	C	.	.	H	α-helix	trans	-67.3	-28.9	179.3	80.8	0	0	0	0	113.6	C457 N458 V459	C457-S461 WeakPolarHBondContact O-CB 3.25Å; C457-S461 PolarHBondContact O-N 3.25Å; N458-S461 PolarHBondContact O-N 2.93Å; N458-S461 PolarHBondContact O-OG 3.07Å; V459-S461 PolarHBondContact O-N 3.4Å
462	V	93.3	Very high	95.2	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	12%	0.122	C	C	.	.	H	α-helix	trans	-96.9	-16.5	-178.1	-58.2	0	0	0	0	113.3	L334 L413 K414 L417 G434 V435 V438 N458 V459 A460	L334-V462 HydrophobicContact CD2-CG2 4.12Å; L413-V462 HydrophobicContact CB-CG1 4.3Å; L413-V462 HydrophobicContact CD2-CG1 4.26Å; L413-V462 HydrophobicContact CD2-CG2 3.68Å; L413-V462 HydrophobicContact CG-CG1 4.06Å; L413-V462 HydrophobicContact CG-CG2 4.25Å; K414-V462 HydrophobicContact CB-CG1 4.14Å; L417-V462 HydrophobicContact CD1-CB 3.88Å; L417-V462 HydrophobicContact CD1-CG1 3.81Å; L417-V462 HydrophobicContact CD1-CG2 4.34Å; G434-V462 CarbonylContact C-O 3.5Å; G434-V462 WeakPolarHBondContact CA-O 3.38Å; V435-V462 PolarHBondContact N-O 3.48Å; V438-V462 HydrophobicContact CG2-CG2 4.48Å; N458-V462 PolarHBondContact O-N 3.18Å; V459-V462 VanDerWaalsContact O-CG2 3.24Å; V459-V462 WeakPolarHBondContact O-CG2 3.4Å; V459-V462 PolarHBondContact O-N 3.18Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 2.98Å
463	L	92.4	Very high	95.2	Very high	2 Å²	2	20 Å²	20	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140.7	172.9	-78	169.7	0	0	0	111.3	V435 V438 V459 L469 L522 K554	V435-L463 CarbonylContact O-C 3.59Å; V435-L463 WeakPolarHBondContact O-CA 3.33Å; V435-L463 WeakPolarHBondContact O-CD2 3.37Å; V438-L463 HydrophobicContact CB-CD2 4.11Å; V438-L463 HydrophobicContact CG2-CD2 3.49Å; V438-L463 VanDerWaalsContact CG2-CD2 3.49Å; V438-L463 HydrophobicContact CG2-CG 3.92Å; V459-L463 HydrophobicContact CG1-CD1 4.19Å; V459-L463 PolarHBondContact O-N 3.04Å; L463-L469 HydrophobicContact CD1-CB 4.35Å; L463-L522 HydrophobicContact CD1-CD2 3.94Å; L463-K554 HydrophobicContact CB-CB 4.08Å; L463-K554 HydrophobicContact CB-CD 3.88Å; L463-K554 HydrophobicContact CD1-CB 4.48Å; L463-K554 WeakPolarHBondContact O-CD 3.48Å; L463-K554 WeakPolarHBondContact O-CE 3.34Å; L463-K554 PolarHBondContact O-NZ 3.01Å
464	S	89.6	Confident	95.2	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.084	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	155.5	165.7	53.1	0	0	0	0	110.5	V435 D436 G466 G467	V435-S464 PolarHBondContact O-N 2.96Å; V435-S464 PolarHBondContact O-OG 3.14Å; D436-S464 PolarHBondContact OD1-OG 3.48Å; S464-G466 PolarHBondContact O-N 3.05Å; S464-G467 WeakPolarHBondContact O-CA 3.34Å; S464-G467 PolarHBondContact O-N 2.88Å
465	P	88.9	Confident	94.9	Very high	59 Å²	59	16.2 Å²	16.2	38%	0.383	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	128	168.4	-23.9	34.4	0	0	0	110.8	G467	P465-G467 PolarHBondContact O-N 3.26Å
466	G	89.1	Confident	94.4	Very high	22 Å²	22	18.6 Å²	18.6	23%	0.227	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	0.6	-170.9	0	0	0	0	0	115.1	S464 K554	S464-G466 PolarHBondContact O-N 3.05Å; G466-K554 WeakPolarHBondContact CA-O 3.43Å; G466-K554 PolarHBondContact N-O 2.99Å
467	G	90.6	Very high	93.9	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	151.8	172.1	0	0	0	0	0	111.6	D436 S464 P465 E553 K554	D436-G467 CarbonylContact O-C 3.58Å; D436-G467 WeakPolarHBondContact O-CA 3.39Å; S464-G467 WeakPolarHBondContact O-CA 3.34Å; S464-G467 PolarHBondContact O-N 2.88Å; P465-G467 PolarHBondContact O-N 3.26Å; G467-E553 CarbonylContact O-C 3.43Å; G467-E553 WeakPolarHBondContact O-CA 3.26Å; G467-K554 PolarHBondContact O-N 3.01Å
468	R	94.1	Very high	93.5	Very high	84 Å²	84	21 Å²	21	32%	0.317	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.2	-171.7	-64	-178.4	179.9	161.8	4.1	114.3	D436 L437 V438 C552 E553	D436-R468 PolarHBondContact O-N 3.18Å; L437-R468 WeakPolarHBondContact CA-O 3.3Å; L437-R468 HydrophobicContact CD2-CB 3.8Å; V438-R468 PolarHBondContact N-O 2.78Å; R468-C552 CarbonylContact C-O 3.43Å; R468-C552 WeakPolarHBondContact CA-O 3.27Å; R468-C552 WeakPolarHBondContact CB-O 3.22Å; R468-E553 HydrophobicContact CG-CB 4.13Å; R468-E553 HydrophobicContact CG-CG 4.01Å; R468-E553 IonicContact CZ-OE2 3.92Å; R468-E553 IonicContact NE-OE2 2.88Å; R468-E553 PolarHBondContact NE-OE2 2.89Å; R468-E553 IonicContact NH2-OE2 2.61Å; R468-E553 PolarHBondContact NH2-OE2 3.5Å
469	L	97.2	Very high	92.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.4	165.4	172.9	58.9	0	0	0	109.9	V438 L440 L456 V459 L463 F471 F517 L522 V551 C552	V438-L469 HydrophobicContact CB-CD1 4.25Å; V438-L469 HydrophobicContact CG1-CD1 4.07Å; V438-L469 CarbonylContact O-C 3.58Å; V438-L469 WeakPolarHBondContact O-CA 3.46Å; L440-L469 HydrophobicContact CB-CD1 3.68Å; L456-L469 HydrophobicContact CD2-CD2 3.97Å; V459-L469 HydrophobicContact CG1-CB 4.48Å; V459-L469 HydrophobicContact CG1-CD1 3.99Å; V459-L469 HydrophobicContact CG1-CD2 4.19Å; V459-L469 HydrophobicContact CG1-CG 4.45Å; L463-L469 HydrophobicContact CD1-CB 4.35Å; L469-F471 HydrophobicContact CG-CB 4.45Å; L469-F517 HydrophobicContact CD2-CD1 4.2Å; L469-F517 HydrophobicContact CD2-CE1 3.85Å; L469-L522 HydrophobicContact CB-CD1 4.49Å; L469-L522 HydrophobicContact CD2-CD1 3.79Å; L469-V551 WeakPolarHBondContact O-CA 3.41Å; L469-C552 HydrophobicContact CB-CB 4.27Å; L469-C552 PolarHBondContact N-O 2.95Å; L469-C552 PolarHBondContact O-N 2.95Å
470	L	96.9	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.9	171.3	-50.2	-178.1	0	0	0	109	F319 E321 L322 V438 T439 L440 V551	F319-L470 HydrophobicContact CB-CD1 4.01Å; F319-L470 HydrophobicContact CD1-CB 3.97Å; F319-L470 HydrophobicContact CD1-CD1 4.43Å; F319-L470 HydrophobicContact CD1-CD2 4.01Å; F319-L470 HydrophobicContact CD1-CG 4.35Å; F319-L470 HydrophobicContact CE1-CB 4.02Å; F319-L470 HydrophobicContact CG-CB 4.32Å; F319-L470 HydrophobicContact CG-CD1 4.23Å; F319-L470 HydrophobicContact CZ-CB 4.4Å; E321-L470 HydrophobicContact CB-CD1 4.25Å; E321-L470 HydrophobicContact CB-CD2 3.84Å; E321-L470 HydrophobicContact CG-CD2 3.87Å; L322-L470 HydrophobicContact CD1-CD1 4.39Å; L322-L470 HydrophobicContact CD2-CD1 3.57Å; L322-L470 HydrophobicContact CG-CD1 3.69Å; V438-L470 PolarHBondContact O-N 3.16Å; T439-L470 WeakPolarHBondContact CA-O 3.49Å; T439-L470 HydrophobicContact CG2-CB 4.15Å; T439-L470 HydrophobicContact CG2-CD1 4.09Å; T439-L470 HydrophobicContact CG2-CG 4.5Å; L440-L470 PolarHBondContact N-O 3.03Å; L470-V551 HydrophobicContact CD2-CG1 4.12Å; L470-V551 HydrophobicContact CD2-CG2 4.07Å
471	F	98.2	Very high	92	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.2	-170.9	176.6	-90.8	0	0	0	111.6	L440 L444 L469 D473 L513 F517 Q549 A550	L440-F471 HydrophobicContact CB-CD2 4.27Å; L440-F471 HydrophobicContact CD2-CD2 3.94Å; L440-F471 HydrophobicContact CD2-CE2 4.15Å; L440-F471 HydrophobicContact CG-CD2 4.34Å; L444-F471 HydrophobicContact CB-CE2 3.87Å; L444-F471 HydrophobicContact CB-CZ 4.37Å; L444-F471 HydrophobicContact CD2-CE2 3.88Å; L444-F471 HydrophobicContact CD2-CZ 4.18Å; L469-F471 HydrophobicContact CG-CB 4.45Å; F471-D473 HydrophobicContact CE1-CB 3.8Å; F471-D473 HydrophobicContact CE2-CB 4.21Å; F471-D473 HydrophobicContact CZ-CB 3.44Å; F471-D473 VanDerWaalsContact CZ-CB 3.44Å; F471-L513 HydrophobicContact CD1-CD1 4.31Å; F471-L513 HydrophobicContact CE1-CD1 3.48Å; F471-L513 VanDerWaalsContact CE1-CD1 3.48Å; F471-L513 HydrophobicContact CE1-CD2 3.87Å; F471-L513 HydrophobicContact CE1-CG 4.35Å; F471-L513 HydrophobicContact CE2-CD2 4.43Å; F471-L513 HydrophobicContact CZ-CD1 4.06Å; F471-L513 HydrophobicContact CZ-CD2 3.6Å; F471-F517 HydrophobicContact CB-CZ 4.03Å; F471-F517 AromaticContact CD1-CZ 3.83Å; F471-F517 HydrophobicContact CD1-CZ 3.83Å; F471-F517 HydrophobicContact CD2-CE1 4.18Å; F471-F517 AromaticContact CD2-CZ 3.87Å; F471-F517 HydrophobicContact CD2-CZ 3.87Å; F471-F517 HydrophobicContact CE1-CZ 4.24Å; F471-F517 HydrophobicContact CE2-CZ 4.25Å; F471-F517 HydrophobicContact CG-CE1 4.29Å; F471-F517 AromaticContact CG-CZ 3.63Å; F471-F517 HydrophobicContact CG-CZ 3.63Å; F471-F517 HydrophobicContact CZ-CZ 4.41Å; F471-Q549 WeakPolarHBondContact O-CA 3.3Å; F471-A550 HydrophobicContact CB-CB 3.97Å; F471-A550 HydrophobicContact CD1-CB 4.06Å; F471-A550 HydrophobicContact CG-CB 4.41Å; F471-A550 PolarHBondContact N-O 3.32Å; F471-A550 PolarHBondContact O-N 3.33Å
472	R	96.8	Very high	91.7	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	132.3	164.7	-172.8	177.5	-167.8	149.3	23.4	110.9	W314 E318 F319 L440 I441 F442 L548	W314-R472 VanDerWaalsContact CH2-NH1 3.25Å; E318-R472 VanDerWaalsContact CD-NH1 3.28Å; E318-R472 IonicContact OE1-NH1 3.24Å; E318-R472 PolarHBondContact OE1-NH1 3.36Å; E318-R472 IonicContact OE2-CZ 2.98Å; E318-R472 VanDerWaalsContact OE2-CZ 3.23Å; E318-R472 IonicContact OE2-NH1 3.55Å; E318-R472 PolarHBondContact OE2-NH1 2.98Å; E318-R472 IonicContact OE2-NH2 3.56Å; E318-R472 PolarHBondContact OE2-NH2 3.4Å; F319-R472 HydrophobicContact CZ-CB 4.36Å; L440-R472 PolarHBondContact O-N 3.01Å; I441-R472 CarbonylContact C-O 3.51Å; I441-R472 HydrophobicContact CD1-CB 3.81Å; I441-R472 HydrophobicContact CG2-CB 4.44Å; F442-R472 HydrophobicContact CZ-CG 4.22Å; F442-R472 PolarHBondContact N-O 3.04Å; R472-L548 VanDerWaalsContact CA-O 3.28Å; R472-L548 WeakPolarHBondContact CA-O 3.49Å
473	D	97.9	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-175.7	173.7	-139.3	-40	0	0	0	112.3	V443 L444 S445 F471 F508 F547 L548	V443-D473 PolarHBondContact N-OD2 2.89Å; L444-D473 PolarHBondContact N-OD2 3.23Å; S445-D473 VanDerWaalsContact CB-CG 3.5Å; S445-D473 WeakPolarHBondContact CB-OD1 3.38Å; S445-D473 WeakPolarHBondContact CB-OD2 3.1Å; S445-D473 PolarHBondContact N-OD2 3.11Å; S445-D473 VanDerWaalsContact OG-CG 3.24Å; S445-D473 PolarHBondContact OG-OD1 3.38Å; S445-D473 PolarHBondContact OG-OD2 3.09Å; F471-D473 HydrophobicContact CE1-CB 3.8Å; F471-D473 HydrophobicContact CE2-CB 4.21Å; F471-D473 HydrophobicContact CZ-CB 3.44Å; F471-D473 VanDerWaalsContact CZ-CB 3.44Å; D473-F508 HydrophobicContact CB-CD2 4.08Å; D473-F508 HydrophobicContact CB-CE2 3.96Å; D473-F547 CarbonylContact O-C 3.45Å; D473-F547 VanDerWaalsContact O-CA 3.25Å; D473-F547 WeakPolarHBondContact O-CA 3.34Å; D473-F547 WeakPolarHBondContact O-CB 3.08Å; D473-L548 PolarHBondContact N-O 3.04Å; D473-L548 PolarHBondContact O-N 3.03Å
474	Y	96.3	Very high	91.3	Very high	27 Å²	27	31.5 Å²	31.5	11%	0.106	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137	-179	-53	-75.3	0	0	0	112.5	F442 S445 R499 F507 F508 F547	F442-Y474 HydrophobicContact CD1-CD1 4.36Å; F442-Y474 HydrophobicContact CD1-CD2 4.27Å; F442-Y474 HydrophobicContact CD1-CE1 4.01Å; F442-Y474 AromaticContact CD1-CE2 3.91Å; F442-Y474 HydrophobicContact CD1-CE2 3.91Å; F442-Y474 HydrophobicContact CD1-CG 4.47Å; F442-Y474 AromaticContact CD1-CZ 3.77Å; F442-Y474 HydrophobicContact CE1-CD1 4.09Å; F442-Y474 AromaticContact CE1-CE1 3.89Å; F442-Y474 HydrophobicContact CE1-CE1 3.89Å; S445-Y474 WeakPolarHBondContact OG-CD2 3.41Å; Y474-R499 PolarHBondContact OH-NH2 3.44Å; Y474-R499 VanDerWaalsContact OH-NH2 3.16Å; Y474-F507 HydrophobicContact CD1-CE1 4.38Å; Y474-F507 HydrophobicContact CG-CD1 4.27Å; Y474-F507 HydrophobicContact CG-CE1 4.05Å; Y474-F508 WeakPolarHBondContact O-CD2 3.32Å; Y474-F508 PolarHBondContact O-N 2.79Å; Y474-F547 HydrophobicContact CD1-CD1 4.15Å; Y474-F547 AromaticContact CD1-CE1 3.9Å; Y474-F547 HydrophobicContact CD1-CE1 3.9Å; Y474-F547 HydrophobicContact CE1-CE1 4.12Å
475	G	92.7	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-92.6	153.3	171.2	0	0	0	0	0	112	D478 F507 F508 V546	G475-D478 WeakPolarHBondContact O-CB 3.37Å; G475-D478 PolarHBondContact O-N 3.07Å; G475-F507 WeakPolarHBondContact O-CD1 3.46Å; G475-F508 CarbonylContact C-O 3.49Å; G475-F508 WeakPolarHBondContact CA-O 3.36Å; G475-V546 PolarHBondContact N-O 3Å
476	Q	88.7	Confident	91.1	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.234	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	143.8	175.6	-155.8	179.1	29.2	0	0	111.5	D478 F508 T509	Q476-D478 PolarHBondContact O-N 3.44Å; Q476-F508 PolarHBondContact N-O 3.41Å; Q476-T509 HydrophobicContact CB-CG2 4.38Å
477	Y	86.8	Confident	91.3	Very high	104 Å²	104	41 Å²	41	41%	0.408	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	13.5	-177.5	-42.3	-62.4	0	0	0	115.1	I269 H479	I269-Y477 HydrophobicContact CD1-CD1 4.47Å; I269-Y477 HydrophobicContact CD1-CG 4.49Å; I269-Y477 HydrophobicContact CG2-CD1 3.44Å; I269-Y477 VanDerWaalsContact CG2-CD1 3.44Å; I269-Y477 HydrophobicContact CG2-CE1 3.62Å; I269-Y477 HydrophobicContact CG2-CG 4.4Å; Y477-H479 PolarHBondContact O-N 3.46Å
478	D	89	Confident	91.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.			trans	-51.5	142.7	164.6	-178.9	67.5	0	0	0	110.4	G475 Q476 A480 Q481 L482 F507 R545 V546	G475-D478 WeakPolarHBondContact O-CB 3.37Å; G475-D478 PolarHBondContact O-N 3.07Å; Q476-D478 PolarHBondContact O-N 3.44Å; D478-A480 PolarHBondContact O-N 3.49Å; D478-A480 WeakPolarHBondContact OD2-CB 3.41Å; D478-A480 PolarHBondContact OD2-N 2.92Å; D478-Q481 WeakPolarHBondContact O-CA 3.39Å; D478-Q481 VanDerWaalsContact O-CB 3.23Å; D478-Q481 WeakPolarHBondContact O-CB 3.24Å; D478-Q481 PolarHBondContact O-N 3.31Å; D478-L482 PolarHBondContact O-N 3.26Å; D478-F507 HydrophobicContact CB-CD1 3.84Å; D478-F507 HydrophobicContact CB-CE1 3.78Å; D478-R545 WeakPolarHBondContact OD1-CA 3.45Å; D478-R545 IonicContact OD1-CZ 3.99Å; D478-R545 IonicContact OD1-NE 3.76Å; D478-R545 PolarHBondContact OD1-NE 2.8Å; D478-R545 IonicContact OD1-NH2 3.73Å; D478-R545 IonicContact OD2-CZ 3.76Å; D478-R545 IonicContact OD2-NE 3.21Å; D478-R545 PolarHBondContact OD2-NE 2.74Å; D478-R545 IonicContact OD2-NH2 3.56Å; D478-R545 PolarHBondContact OD2-NH2 2.94Å; D478-V546 HydrophobicContact CB-CB 4.15Å; D478-V546 PolarHBondContact OD1-N 2.74Å
479	H	82.6	Confident	91.6	Very high	45 Å²	45	38.6 Å²	38.6	21%	0.208	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-27.3	179.2	175.5	-98.7	0	0	0	113.3	Y477 R483 V543 Q544	Y477-H479 PolarHBondContact O-N 3.46Å; H479-R483 WeakPolarHBondContact CE1-CD 3.32Å; H479-R483 WeakPolarHBondContact NE2-CD 3.35Å; H479-R483 WeakPolarHBondContact O-CG 3.33Å; H479-R483 PolarHBondContact O-N 3.45Å; H479-V543 HydrophobicContact CB-CB 4.23Å; H479-V543 WeakPolarHBondContact CE1-CG1 3.43Å; H479-V543 WeakPolarHBondContact ND1-CG1 3.49Å; H479-Q544 WeakPolarHBondContact CB-O 3.16Å
480	A	85.8	Confident	91.5	Very high	26 Å²	26	38.6 Å²	38.6	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-35.1	173.4	0	0	0	0	0	112.8	D478 R483 F484 F507	D478-A480 PolarHBondContact O-N 3.49Å; D478-A480 WeakPolarHBondContact OD2-CB 3.41Å; D478-A480 PolarHBondContact OD2-N 2.92Å; A480-R483 PolarHBondContact O-N 3.28Å; A480-F484 VanDerWaalsContact O-CD2 3.32Å; A480-F484 WeakPolarHBondContact O-CD2 3.24Å; A480-F507 HydrophobicContact CB-CE1 4.24Å; A480-F507 HydrophobicContact CB-CZ 4.15Å
481	Q	91.4	Very high	91.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-49.8	175.8	-174.1	-178.5	-16.6	0	0	110.8	Q276 D478 R483 F484 Y497 F507	Q276-Q481 PolarHBondContact NE2-O 3Å; D478-Q481 WeakPolarHBondContact O-CA 3.39Å; D478-Q481 VanDerWaalsContact O-CB 3.23Å; D478-Q481 WeakPolarHBondContact O-CB 3.24Å; D478-Q481 PolarHBondContact O-N 3.31Å; Q481-R483 PolarHBondContact O-N 3Å; Q481-R483 VanDerWaalsContact O-N 3.16Å; Q481-F484 PolarHBondContact O-N 3.41Å; Q481-Y497 HydrophobicContact CG-CE2 3.78Å; Q481-Y497 WeakPolarHBondContact CG-OH 3.21Å; Q481-Y497 PolarHBondContact NE2-OH 3.39Å; Q481-F507 VanDerWaalsContact CA-CZ 3.42Å; Q481-F507 HydrophobicContact CB-CD1 3.7Å; Q481-F507 HydrophobicContact CB-CD2 3.74Å; Q481-F507 HydrophobicContact CB-CE1 3.65Å; Q481-F507 HydrophobicContact CB-CE2 3.67Å; Q481-F507 HydrophobicContact CB-CG 3.75Å; Q481-F507 HydrophobicContact CB-CZ 3.63Å; Q481-F507 HydrophobicContact CG-CB 4.47Å; Q481-F507 HydrophobicContact CG-CD1 4.39Å; Q481-F507 HydrophobicContact CG-CD2 3.67Å; Q481-F507 HydrophobicContact CG-CE2 3.92Å; Q481-F507 HydrophobicContact CG-CG 3.92Å; Q481-F507 HydrophobicContact CG-CZ 4.4Å; Q481-F507 VanDerWaalsContact N-CZ 3.3Å
482	L	88.5	Confident	91.2	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-14	-173.7	-56.6	-179.1	0	0	0	112.6	I264 I269 V272 I273 D478	I264-L482 HydrophobicContact CD1-CD1 3.69Å; I269-L482 HydrophobicContact CG1-CD1 4.23Å; I269-L482 HydrophobicContact CG2-CD2 4.07Å; V272-L482 HydrophobicContact CG1-CB 4.41Å; V272-L482 HydrophobicContact CG1-CD2 4.44Å; V272-L482 WeakPolarHBondContact CG1-O 3.1Å; I273-L482 HydrophobicContact CD1-CD2 4.16Å; D478-L482 PolarHBondContact O-N 3.26Å
483	R	87.3	Confident	91	Very high	171 Å²	171	47 Å²	47	65%	0.645	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.6	177.7	-81.8	-175.2	52.7	-124.3	-10.7	115.1	H479 A480 Q481 G485	H479-R483 WeakPolarHBondContact CE1-CD 3.32Å; H479-R483 WeakPolarHBondContact NE2-CD 3.35Å; H479-R483 WeakPolarHBondContact O-CG 3.33Å; H479-R483 PolarHBondContact O-N 3.45Å; A480-R483 PolarHBondContact O-N 3.28Å; Q481-R483 PolarHBondContact O-N 3Å; Q481-R483 VanDerWaalsContact O-N 3.16Å; R483-G485 PolarHBondContact O-N 3.3Å
484	F	88	Confident	90.8	Very high	34 Å²	34	50.1 Å²	50.1	15%	0.149	25%	0.25	C	S	.	.			trans	-62.5	129.6	174	-82.5	-73.3	0	0	0	110.1	Q276 A480 Q481 Y497 V498 R499 F507	Q276-F484 PolarHBondContact NE2-O 2.95Å; A480-F484 VanDerWaalsContact O-CD2 3.32Å; A480-F484 WeakPolarHBondContact O-CD2 3.24Å; Q481-F484 PolarHBondContact O-N 3.41Å; F484-Y497 HydrophobicContact CB-CD1 3.63Å; F484-Y497 HydrophobicContact CB-CE1 3.98Å; F484-Y497 HydrophobicContact CB-CG 4.39Å; F484-Y497 HydrophobicContact CD1-CD1 4.26Å; F484-Y497 HydrophobicContact CD1-CG 4.36Å; F484-Y497 AromaticContact CD2-CD1 3.66Å; F484-Y497 HydrophobicContact CD2-CD1 3.66Å; F484-Y497 HydrophobicContact CD2-CD2 4.05Å; F484-Y497 HydrophobicContact CD2-CE1 4.24Å; F484-Y497 AromaticContact CD2-CG 3.56Å; F484-Y497 HydrophobicContact CD2-CG 3.56Å; F484-Y497 HydrophobicContact CE2-CD1 4.39Å; F484-Y497 HydrophobicContact CE2-CD2 4.18Å; F484-Y497 AromaticContact CE2-CG 3.84Å; F484-Y497 HydrophobicContact CE2-CG 3.84Å; F484-Y497 AromaticContact CG-CD1 3.58Å; F484-Y497 HydrophobicContact CG-CD1 3.58Å; F484-Y497 HydrophobicContact CG-CE1 4.3Å; F484-Y497 AromaticContact CG-CG 3.85Å; F484-Y497 HydrophobicContact CG-CG 3.85Å; F484-Y497 HydrophobicContact CZ-CG 4.33Å; F484-V498 VanDerWaalsContact CE1-O 3.3Å; F484-V498 WeakPolarHBondContact CE1-O 3.37Å; F484-R499 HydrophobicContact CE1-CG 4.26Å; F484-R499 HydrophobicContact CZ-CG 4.19Å; F484-F507 HydrophobicContact CD2-CE2 4.23Å; F484-F507 AromaticContact CE2-CE2 3.72Å; F484-F507 HydrophobicContact CE2-CE2 3.72Å; F484-F507 AromaticContact CE2-CZ 3.89Å; F484-F507 HydrophobicContact CE2-CZ 3.89Å
485	G	85.9	Confident	90.7	Very high	43 Å²	43	49.3 Å²	49.3	44%	0.443	25%	0.248	S	C	.	.			trans	-82.1	-172.9	-179.9	0	0	0	0	0	112.4	R483 S488	R483-G485 PolarHBondContact O-N 3.3Å; G485-S488 WeakPolarHBondContact O-CB 3.27Å; G485-S488 PolarHBondContact O-OG 3.24Å
486	R	90.1	Very high	90.9	Very high	210 Å²	210	49.3 Å²	49.3	79%	0.792	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	146.9	174.4	-65.2	-180	171.6	-180	-3	111.2	T279 S488	T279-R486 HydrophobicContact CG2-CB 4.08Å; T279-R486 HydrophobicContact CG2-CG 3.95Å; T279-R486 VanDerWaalsContact OG1-CA 3.27Å; T279-R486 WeakPolarHBondContact OG1-CA 3.45Å; R486-S488 PolarHBondContact O-N 3.49Å
487	G	92	Very high	91.3	Very high	38 Å²	38	47 Å²	47	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	17.8	176.5	0	0	0	0	0	113.9	T279 V281	T279-G487 WeakPolarHBondContact O-CA 3.43Å; T279-G487 PolarHBondContact O-N 3.47Å; T279-G487 PolarHBondContact OG1-N 3.43Å; V281-G487 WeakPolarHBondContact CG2-O 3.37Å
488	S	94.9	Very high	91.8	Very high	23 Å²	23	43 Å²	43	16%	0.161	22%	0.224	C	C	.	.			trans	-107.4	-23	-178.7	-56.6	0	0	0	0	113.3	G485 R486 Y497 V498	G485-S488 WeakPolarHBondContact O-CB 3.27Å; G485-S488 PolarHBondContact O-OG 3.24Å; R486-S488 PolarHBondContact O-N 3.49Å; S488-Y497 CarbonylContact O-C 3.54Å; S488-Y497 WeakPolarHBondContact O-CA 3.38Å; S488-V498 PolarHBondContact O-N 2.85Å
489	R	96.2	Very high	91.9	Very high	14 Å²	14	46.1 Å²	46.1	5%	0.053	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-82.9	131.4	-178.3	-171.1	172.7	177.6	130.1	-10.3	110.5	Q276 L280 V281 F491 A492 R494 Y497	Q276-R489 HydrophobicContact CB-CB 4.28Å; L280-R489 WeakPolarHBondContact CA-O 3.3Å; L280-R489 HydrophobicContact CD2-CB 4.08Å; L280-R489 HydrophobicContact CD2-CG 4.06Å; V281-R489 PolarHBondContact N-O 3.46Å; R489-F491 WeakPolarHBondContact CD-O 3.48Å; R489-F491 WeakPolarHBondContact CG-O 3.36Å; R489-F491 PolarHBondContact NE-O 3.25Å; R489-A492 PolarHBondContact NH2-O 3.45Å; R489-R494 PolarHBondContact NH2-O 3.48Å; R489-Y497 HydrophobicContact CB-CD1 3.85Å; R489-Y497 HydrophobicContact CB-CE1 3.76Å; R489-Y497 HydrophobicContact CG-CD1 4.15Å; R489-Y497 HydrophobicContact CG-CE1 3.79Å; R489-Y497 PolarHBondContact NH1-OH 2.91Å
490	L	95.9	Very high	92.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.			trans	-85.6	-31.2	-173.5	-65.4	172.1	0	0	0	113.3	V281 R286 L289 F290 S496 V498 L504	V281-L490 HydrophobicContact CB-CD2 3.93Å; V281-L490 HydrophobicContact CG1-CD2 4.04Å; V281-L490 HydrophobicContact CG2-CD2 3.85Å; R286-L490 HydrophobicContact CG-CD2 4.19Å; R286-L490 PolarHBondContact NE-O 3.16Å; R286-L490 VanDerWaalsContact NE-O 3.08Å; R286-L490 PolarHBondContact NH2-O 2.81Å; L289-L490 HydrophobicContact CD1-CD2 3.83Å; F290-L490 HydrophobicContact CE1-CD1 4.08Å; F290-L490 HydrophobicContact CZ-CD1 4.31Å; L490-S496 WeakPolarHBondContact CD1-OG 3.37Å; L490-S496 PolarHBondContact N-O 3.17Å; L490-V498 HydrophobicContact CD2-CB 4.28Å; L490-V498 HydrophobicContact CD2-CG1 4.44Å; L490-L504 HydrophobicContact CD1-CD2 3.88Å
491	F	94.5	Very high	92.3	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.079	27%	0.271	C	S	.	.			trans	-141.4	147.7	-174.8	-57.3	-80.8	0	0	0	111.1	F290 P449 R489 D493 R494	F290-F491 HydrophobicContact CE2-CE2 4.48Å; F290-F491 AromaticContact CE2-CZ 3.82Å; F290-F491 HydrophobicContact CE2-CZ 3.82Å; F290-F491 AromaticContact CZ-CE2 3.8Å; F290-F491 HydrophobicContact CZ-CE2 3.8Å; F290-F491 AromaticContact CZ-CZ 3.59Å; F290-F491 HydrophobicContact CZ-CZ 3.59Å; P449-F491 HydrophobicContact CG-CE2 4.05Å; R489-F491 WeakPolarHBondContact CD-O 3.48Å; R489-F491 WeakPolarHBondContact CG-O 3.36Å; R489-F491 PolarHBondContact NE-O 3.25Å; F491-D493 WeakPolarHBondContact CB-OD1 3.29Å; F491-R494 HydrophobicContact CB-CG 3.54Å; F491-R494 HydrophobicContact CD2-CG 3.64Å; F491-R494 HydrophobicContact CG-CG 3.82Å
492	A	94.5	Very high	92.3	Very high	48 Å²	48	54.9 Å²	54.9	40%	0.397	28%	0.276	S	S	.	.	S	Bend	trans	-69.8	-46.7	176.1	0	0	0	0	0	111.6	I277 L280 R489 R494	I277-A492 HydrophobicContact CG2-CB 4.1Å; L280-A492 HydrophobicContact CD1-CB 4.22Å; R489-A492 PolarHBondContact NH2-O 3.45Å; A492-R494 PolarHBondContact O-N 3.26Å
493	D	92.7	Very high	92.6	Very high	115 Å²	115	54 Å²	54	62%	0.615	27%	0.272	S	S	*	.	S	Bend	trans	-77.6	-15.2	-170	65.9	-37	0	0	0	114.7	F491	F491-D493 WeakPolarHBondContact CB-OD1 3.29Å
494	R	93.8	Very high	93.1	Very high	65 Å²	65	46.1 Å²	46.1	25%	0.245	24%	0.242	C	C	.	.	S	Bend	trans	-141.8	146.9	-175.2	65.5	-168.9	76.9	-166.6	-5.9	113.6	R489 F491 A492 S496 Y506	R489-R494 PolarHBondContact NH2-O 3.48Å; F491-R494 HydrophobicContact CB-CG 3.54Å; F491-R494 HydrophobicContact CD2-CG 3.64Å; F491-R494 HydrophobicContact CG-CG 3.82Å; A492-R494 PolarHBondContact O-N 3.26Å; R494-S496 PolarHBondContact O-N 3.36Å; R494-Y506 HydrophobicContact CB-CE2 4.03Å; R494-Y506 WeakPolarHBondContact CB-OH 3.44Å; R494-Y506 HydrophobicContact CG-CE2 4.13Å
495	P	94.2	Very high	93.4	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.065	24%	0.235	C	C	.	.			trans	-81.4	58.5	-173.4	35.2	-38.2	0	0	0	112.5	Y497 Y506 F507	P495-Y497 HydrophobicContact CB-CE2 3.94Å; P495-Y497 VanDerWaalsContact O-CD2 3.31Å; P495-Y497 WeakPolarHBondContact O-CD2 3.38Å; P495-Y497 WeakPolarHBondContact O-CE2 3.49Å; P495-Y506 HydrophobicContact CG-CE1 4.16Å; P495-Y506 HydrophobicContact CG-CE2 4.5Å; P495-Y506 WeakPolarHBondContact O-CA 3.23Å; P495-F507 HydrophobicContact CB-CB 4.27Å; P495-F507 HydrophobicContact CG-CB 4.41Å; P495-F507 WeakPolarHBondContact CG-O 3.26Å; P495-F507 PolarHBondContact O-N 3.45Å
496	S	96.9	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.4	174.3	-166.1	0	0	0	0	111.2	L490 R494 S505	L490-S496 WeakPolarHBondContact CD1-OG 3.37Å; L490-S496 PolarHBondContact N-O 3.17Å; R494-S496 PolarHBondContact O-N 3.36Å; S496-S505 CarbonylContact C-O 3.58Å; S496-S505 WeakPolarHBondContact CA-O 3.44Å
497	Y	97.3	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.7	-172.5	-55.3	-96.2	0	0	0	111.8	Q276 Q481 F484 S488 R489 P495 L504 S505 F507	Q276-Y497 PolarHBondContact OE1-OH 3.33Å; Q276-Y497 VanDerWaalsContact OE1-OH 3.06Å; Q481-Y497 HydrophobicContact CG-CE2 3.78Å; Q481-Y497 WeakPolarHBondContact CG-OH 3.21Å; Q481-Y497 PolarHBondContact NE2-OH 3.39Å; F484-Y497 HydrophobicContact CB-CD1 3.63Å; F484-Y497 HydrophobicContact CB-CE1 3.98Å; F484-Y497 HydrophobicContact CB-CG 4.39Å; F484-Y497 HydrophobicContact CD1-CD1 4.26Å; F484-Y497 HydrophobicContact CD1-CG 4.36Å; F484-Y497 AromaticContact CD2-CD1 3.66Å; F484-Y497 HydrophobicContact CD2-CD1 3.66Å; F484-Y497 HydrophobicContact CD2-CD2 4.05Å; F484-Y497 HydrophobicContact CD2-CE1 4.24Å; F484-Y497 AromaticContact CD2-CG 3.56Å; F484-Y497 HydrophobicContact CD2-CG 3.56Å; F484-Y497 HydrophobicContact CE2-CD1 4.39Å; F484-Y497 HydrophobicContact CE2-CD2 4.18Å; F484-Y497 AromaticContact CE2-CG 3.84Å; F484-Y497 HydrophobicContact CE2-CG 3.84Å; F484-Y497 AromaticContact CG-CD1 3.58Å; F484-Y497 HydrophobicContact CG-CD1 3.58Å; F484-Y497 HydrophobicContact CG-CE1 4.3Å; F484-Y497 AromaticContact CG-CG 3.85Å; F484-Y497 HydrophobicContact CG-CG 3.85Å; F484-Y497 HydrophobicContact CZ-CG 4.33Å; S488-Y497 CarbonylContact O-C 3.54Å; S488-Y497 WeakPolarHBondContact O-CA 3.38Å; R489-Y497 HydrophobicContact CB-CD1 3.85Å; R489-Y497 HydrophobicContact CB-CE1 3.76Å; R489-Y497 HydrophobicContact CG-CD1 4.15Å; R489-Y497 HydrophobicContact CG-CE1 3.79Å; R489-Y497 PolarHBondContact NH1-OH 2.91Å; P495-Y497 HydrophobicContact CB-CE2 3.94Å; P495-Y497 VanDerWaalsContact O-CD2 3.31Å; P495-Y497 WeakPolarHBondContact O-CD2 3.38Å; P495-Y497 WeakPolarHBondContact O-CE2 3.49Å; Y497-L504 CarbonylContact O-C 3.53Å; Y497-L504 WeakPolarHBondContact O-CA 3.36Å; Y497-S505 PolarHBondContact N-O 3.31Å; Y497-S505 PolarHBondContact O-N 2.73Å; Y497-F507 AromaticContact CD2-CD2 3.74Å; Y497-F507 HydrophobicContact CD2-CD2 3.74Å; Y497-F507 AromaticContact CD2-CE2 3.62Å; Y497-F507 HydrophobicContact CD2-CE2 3.62Å; Y497-F507 AromaticContact CE2-CD2 3.63Å; Y497-F507 HydrophobicContact CE2-CD2 3.63Å; Y497-F507 AromaticContact CE2-CE2 3.85Å; Y497-F507 HydrophobicContact CE2-CE2 3.85Å
498	V	96	Very high	94.6	Very high	20 Å²	20	31 Å²	31	12%	0.121	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	169.2	63.3	0	0	0	0	110.8	V281 L289 F484 S488 L490 L504	V281-V498 HydrophobicContact CG2-CG1 3.8Å; L289-V498 HydrophobicContact CD1-CB 3.83Å; L289-V498 HydrophobicContact CD1-CG1 4.19Å; L289-V498 HydrophobicContact CD1-CG2 3.61Å; L289-V498 HydrophobicContact CD2-CG2 3.6Å; L289-V498 HydrophobicContact CG-CG2 4.25Å; F484-V498 VanDerWaalsContact CE1-O 3.3Å; F484-V498 WeakPolarHBondContact CE1-O 3.37Å; S488-V498 PolarHBondContact O-N 2.85Å; L490-V498 HydrophobicContact CD2-CB 4.28Å; L490-V498 HydrophobicContact CD2-CG1 4.44Å; V498-L504 HydrophobicContact CB-CD2 4.25Å; V498-L504 HydrophobicContact CG2-CD2 4.29Å
499	R	92.4	Very high	94.6	Very high	66 Å²	66	32 Å²	32	25%	0.249	16%	0.164	C	C	.	.			trans	-89.3	164.7	172	-60.3	-174.2	-178.2	-157.3	1.1	110.8	Y474 F484 D501 G502 T503 S505	Y474-R499 PolarHBondContact OH-NH2 3.44Å; Y474-R499 VanDerWaalsContact OH-NH2 3.16Å; F484-R499 HydrophobicContact CE1-CG 4.26Å; F484-R499 HydrophobicContact CZ-CG 4.19Å; R499-D501 WeakPolarHBondContact CB-OD1 3.36Å; R499-D501 PolarHBondContact O-N 2.97Å; R499-G502 PolarHBondContact O-N 2.61Å; R499-T503 WeakPolarHBondContact CB-O 3.3Å; R499-T503 WeakPolarHBondContact CD-OG1 3.47Å; R499-T503 PolarHBondContact N-O 2.67Å; R499-S505 VanDerWaalsContact CZ-OG 3.26Å; R499-S505 PolarHBondContact NE-OG 2.96Å; R499-S505 PolarHBondContact NH2-OG 3.45Å
500	Q	87.7	Confident	94.5	Very high	214 Å²	214	35.8 Å²	35.8	100%	1	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.3	-179.9	-66.7	178.7	-14.9	0	0	114.6
501	D	88.3	Confident	94.5	Very high	30 Å²	30	41.4 Å²	41.4	16%	0.16	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.2	177	55.2	21.6	0	0	0	114.2	F300 R303 R499 T503	F300-D501 VanDerWaalsContact CD2-OD2 3.26Å; F300-D501 WeakPolarHBondContact CD2-OD2 3.44Å; R303-D501 VanDerWaalsContact NH2-CB 3.34Å; R303-D501 IonicContact NH2-OD2 2.74Å; R303-D501 PolarHBondContact NH2-OD2 2.88Å; R499-D501 WeakPolarHBondContact CB-OD1 3.36Å; R499-D501 PolarHBondContact O-N 2.97Å; D501-T503 VanDerWaalsContact C-N 3.28Å; D501-T503 PolarHBondContact O-N 3.26Å; D501-T503 WeakPolarHBondContact OD1-CB 3.48Å; D501-T503 PolarHBondContact OD1-N 2.88Å; D501-T503 PolarHBondContact OD1-OG1 3.07Å
502	G	92.2	Very high	94.5	Very high	12 Å²	12	42.8 Å²	42.8	12%	0.124	22%	0.218	C	C	.	.	S	Bend	trans	82.2	-0.3	-179.2	0	0	0	0	0	114.4	N296 R499	N296-G502 PolarHBondContact ND2-O 2.83Å; R499-G502 PolarHBondContact O-N 2.61Å
503	T	94	Very high	94.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	20%	0.199	C	C	.	.			trans	-77.7	156.3	171.3	64.6	0	0	0	0	110.9	W297 F300 R499 D501	W297-T503 HydrophobicContact CD2-CG2 3.86Å; W297-T503 HydrophobicContact CE3-CG2 4.07Å; W297-T503 HydrophobicContact CG-CG2 4.35Å; W297-T503 HydrophobicContact CH2-CG2 4.3Å; W297-T503 HydrophobicContact CZ2-CG2 4.09Å; W297-T503 HydrophobicContact CZ3-CG2 4.29Å; F300-T503 HydrophobicContact CB-CG2 4.27Å; R499-T503 WeakPolarHBondContact CB-O 3.3Å; R499-T503 WeakPolarHBondContact CD-OG1 3.47Å; R499-T503 PolarHBondContact N-O 2.67Å; D501-T503 VanDerWaalsContact C-N 3.28Å; D501-T503 PolarHBondContact O-N 3.26Å; D501-T503 WeakPolarHBondContact OD1-CB 3.48Å; D501-T503 PolarHBondContact OD1-N 2.88Å; D501-T503 PolarHBondContact OD1-OG1 3.07Å
504	L	96.7	Very high	94.9	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	163.9	-173.2	-54.9	-173.9	0	0	0	112.6	L289 F290 S445 L490 Y497 V498	L289-L504 HydrophobicContact CB-CD2 4.42Å; F290-L504 HydrophobicContact CD1-CD1 3.83Å; F290-L504 HydrophobicContact CE1-CD1 3.72Å; S445-L504 CarbonylContact O-C 3.58Å; L490-L504 HydrophobicContact CD1-CD2 3.88Å; Y497-L504 CarbonylContact O-C 3.53Å; Y497-L504 WeakPolarHBondContact O-CA 3.36Å; V498-L504 HydrophobicContact CB-CD2 4.25Å; V498-L504 HydrophobicContact CG2-CD2 4.29Å
505	S	95.9	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.3	168.4	-67	0	0	0	0	110.2	S445 S496 Y497 R499	S445-S505 CarbonylContact O-C 3.56Å; S445-S505 WeakPolarHBondContact O-CA 3.42Å; S445-S505 PolarHBondContact O-N 3.08Å; S496-S505 CarbonylContact C-O 3.58Å; S496-S505 WeakPolarHBondContact CA-O 3.44Å; Y497-S505 PolarHBondContact N-O 3.31Å; Y497-S505 PolarHBondContact O-N 2.73Å; R499-S505 VanDerWaalsContact CZ-OG 3.26Å; R499-S505 PolarHBondContact NE-OG 2.96Å; R499-S505 PolarHBondContact NH2-OG 3.45Å
506	Y	98.2	Very high	95.3	Very high	8 Å²	8	38.7 Å²	38.7	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.1	177.9	-162.3	-89.3	0	0	0	108.2	S445 P449 M452 R494 P495 F508 E512	S445-Y506 WeakPolarHBondContact CB-O 3.32Å; S445-Y506 PolarHBondContact O-N 2.83Å; S445-Y506 VanDerWaalsContact O-N 3.13Å; P449-Y506 HydrophobicContact CB-CD2 4.48Å; P449-Y506 HydrophobicContact CB-CE2 4.03Å; P449-Y506 HydrophobicContact CG-CD2 3.69Å; P449-Y506 HydrophobicContact CG-CE2 3.59Å; M452-Y506 HydrophobicContact CE-CD1 4.12Å; M452-Y506 HydrophobicContact CE-CD2 3.82Å; M452-Y506 HydrophobicContact CE-CE2 4.37Å; M452-Y506 HydrophobicContact CE-CG 3.67Å; R494-Y506 HydrophobicContact CB-CE2 4.03Å; R494-Y506 WeakPolarHBondContact CB-OH 3.44Å; R494-Y506 HydrophobicContact CG-CE2 4.13Å; P495-Y506 HydrophobicContact CG-CE1 4.16Å; P495-Y506 HydrophobicContact CG-CE2 4.5Å; P495-Y506 WeakPolarHBondContact O-CA 3.23Å; Y506-F508 AromaticContact CD1-CD1 3.5Å; Y506-F508 HydrophobicContact CD1-CD1 3.5Å; Y506-F508 HydrophobicContact CD1-CD2 4.02Å; Y506-F508 AromaticContact CD1-CE1 3.36Å; Y506-F508 HydrophobicContact CD1-CE1 3.36Å; Y506-F508 AromaticContact CD1-CE2 3.9Å; Y506-F508 HydrophobicContact CD1-CE2 3.9Å; Y506-F508 AromaticContact CD1-CG 3.83Å; Y506-F508 HydrophobicContact CD1-CG 3.83Å; Y506-F508 AromaticContact CD1-CZ 3.56Å; Y506-F508 HydrophobicContact CD1-CZ 3.56Å; Y506-F508 AromaticContact CE1-CD1 3.55Å; Y506-F508 HydrophobicContact CE1-CD1 3.55Å; Y506-F508 AromaticContact CE1-CE1 3.64Å; Y506-F508 HydrophobicContact CE1-CE1 3.64Å; Y506-F508 HydrophobicContact CE1-CG 4.16Å; Y506-F508 HydrophobicContact CE1-CZ 4.31Å; Y506-F508 HydrophobicContact CG-CE1 4.27Å; Y506-F508 HydrophobicContact CG-CZ 4.16Å; Y506-E512 WeakPolarHBondContact CE1-OE1 3.21Å; Y506-E512 WeakPolarHBondContact CE1-OE2 3.42Å; Y506-E512 PolarHBondContact OH-OE1 3.48Å
507	F	96.8	Very high	95.3	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.198	C	C	.	.			trans	-126.2	109.8	-178.1	-61.7	-93.1	0	0	0	110	Y474 G475 D478 A480 Q481 F484 P495 Y497	Y474-F507 HydrophobicContact CD1-CE1 4.38Å; Y474-F507 HydrophobicContact CG-CD1 4.27Å; Y474-F507 HydrophobicContact CG-CE1 4.05Å; G475-F507 WeakPolarHBondContact O-CD1 3.46Å; D478-F507 HydrophobicContact CB-CD1 3.84Å; D478-F507 HydrophobicContact CB-CE1 3.78Å; A480-F507 HydrophobicContact CB-CE1 4.24Å; A480-F507 HydrophobicContact CB-CZ 4.15Å; Q481-F507 VanDerWaalsContact CA-CZ 3.42Å; Q481-F507 HydrophobicContact CB-CD1 3.7Å; Q481-F507 HydrophobicContact CB-CD2 3.74Å; Q481-F507 HydrophobicContact CB-CE1 3.65Å; Q481-F507 HydrophobicContact CB-CE2 3.67Å; Q481-F507 HydrophobicContact CB-CG 3.75Å; Q481-F507 HydrophobicContact CB-CZ 3.63Å; Q481-F507 HydrophobicContact CG-CB 4.47Å; Q481-F507 HydrophobicContact CG-CD1 4.39Å; Q481-F507 HydrophobicContact CG-CD2 3.67Å; Q481-F507 HydrophobicContact CG-CE2 3.92Å; Q481-F507 HydrophobicContact CG-CG 3.92Å; Q481-F507 HydrophobicContact CG-CZ 4.4Å; Q481-F507 VanDerWaalsContact N-CZ 3.3Å; F484-F507 HydrophobicContact CD2-CE2 4.23Å; F484-F507 AromaticContact CE2-CE2 3.72Å; F484-F507 HydrophobicContact CE2-CE2 3.72Å; F484-F507 AromaticContact CE2-CZ 3.89Å; F484-F507 HydrophobicContact CE2-CZ 3.89Å; P495-F507 HydrophobicContact CB-CB 4.27Å; P495-F507 HydrophobicContact CG-CB 4.41Å; P495-F507 WeakPolarHBondContact CG-O 3.26Å; P495-F507 PolarHBondContact O-N 3.45Å; Y497-F507 AromaticContact CD2-CD2 3.74Å; Y497-F507 HydrophobicContact CD2-CD2 3.74Å; Y497-F507 AromaticContact CD2-CE2 3.62Å; Y497-F507 HydrophobicContact CD2-CE2 3.62Å; Y497-F507 AromaticContact CE2-CD2 3.63Å; Y497-F507 HydrophobicContact CE2-CD2 3.63Å; Y497-F507 AromaticContact CE2-CE2 3.85Å; Y497-F507 HydrophobicContact CE2-CE2 3.85Å
508	F	97.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-86.7	152.8	-166.9	-62.5	-85.4	0	0	0	112.9	L444 M452 D473 Y474 G475 Q476 Y506 E512 L513 L516 L548	L444-F508 HydrophobicContact CB-CE2 4.35Å; L444-F508 HydrophobicContact CB-CZ 3.91Å; L444-F508 HydrophobicContact CD2-CE1 3.94Å; L444-F508 HydrophobicContact CD2-CZ 3.79Å; L444-F508 HydrophobicContact CG-CE1 4.29Å; L444-F508 HydrophobicContact CG-CZ 3.77Å; M452-F508 HydrophobicContact CE-CE1 4.03Å; M452-F508 HydrophobicContact CE-CZ 3.81Å; M452-F508 HydrophobicContact SD-CE1 3.66Å; M452-F508 HydrophobicContact SD-CZ 3.9Å; D473-F508 HydrophobicContact CB-CD2 4.08Å; D473-F508 HydrophobicContact CB-CE2 3.96Å; Y474-F508 WeakPolarHBondContact O-CD2 3.32Å; Y474-F508 PolarHBondContact O-N 2.79Å; G475-F508 CarbonylContact C-O 3.49Å; G475-F508 WeakPolarHBondContact CA-O 3.36Å; Q476-F508 PolarHBondContact N-O 3.41Å; Y506-F508 AromaticContact CD1-CD1 3.5Å; Y506-F508 HydrophobicContact CD1-CD1 3.5Å; Y506-F508 HydrophobicContact CD1-CD2 4.02Å; Y506-F508 AromaticContact CD1-CE1 3.36Å; Y506-F508 HydrophobicContact CD1-CE1 3.36Å; Y506-F508 AromaticContact CD1-CE2 3.9Å; Y506-F508 HydrophobicContact CD1-CE2 3.9Å; Y506-F508 AromaticContact CD1-CG 3.83Å; Y506-F508 HydrophobicContact CD1-CG 3.83Å; Y506-F508 AromaticContact CD1-CZ 3.56Å; Y506-F508 HydrophobicContact CD1-CZ 3.56Å; Y506-F508 AromaticContact CE1-CD1 3.55Å; Y506-F508 HydrophobicContact CE1-CD1 3.55Å; Y506-F508 AromaticContact CE1-CE1 3.64Å; Y506-F508 HydrophobicContact CE1-CE1 3.64Å; Y506-F508 HydrophobicContact CE1-CG 4.16Å; Y506-F508 HydrophobicContact CE1-CZ 4.31Å; Y506-F508 HydrophobicContact CG-CE1 4.27Å; Y506-F508 HydrophobicContact CG-CZ 4.16Å; F508-E512 HydrophobicContact CD1-CG 4.41Å; F508-L513 HydrophobicContact CB-CD1 3.93Å; F508-L513 HydrophobicContact CB-CD2 4.16Å; F508-L513 HydrophobicContact CB-CG 3.76Å; F508-L513 HydrophobicContact CD1-CD2 3.59Å; F508-L513 HydrophobicContact CD1-CG 4.05Å; F508-L513 HydrophobicContact CD2-CD2 4.31Å; F508-L513 HydrophobicContact CE1-CD2 4.01Å; F508-L513 HydrophobicContact CG-CD1 4.3Å; F508-L513 HydrophobicContact CG-CD2 3.76Å; F508-L513 HydrophobicContact CG-CG 3.95Å; F508-L516 HydrophobicContact CE1-CD1 4.3Å; F508-L548 HydrophobicContact CB-CD1 3.81Å; F508-L548 WeakPolarHBondContact O-CD1 3.45Å
509	T	93.9	Very high	95.4	Very high	43 Å²	43	46.5 Å²	46.5	26%	0.264	24%	0.244	S	C	.	.			trans	-91	163.5	158.5	65	0	0	0	0	110.5	Q476 E512 L513	Q476-T509 HydrophobicContact CB-CG2 4.38Å; T509-E512 PolarHBondContact N-OE2 2.81Å; T509-E512 WeakPolarHBondContact OG1-CB 3.34Å; T509-E512 PolarHBondContact OG1-N 2.76Å; T509-L513 PolarHBondContact O-N 3.21Å
510	K	95.2	Very high	95.7	Very high	94 Å²	94	43.9 Å²	43.9	41%	0.409	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-46.1	174.9	-173.2	172.6	172.9	174.2	0	111.2	E512 L513 A514 L527 F529 L548	K510-E512 PolarHBondContact O-N 3.4Å; K510-L513 PolarHBondContact O-N 3.45Å; K510-A514 PolarHBondContact O-N 3.2Å; K510-L527 HydrophobicContact CD-CG 4.47Å; K510-L527 WeakPolarHBondContact CE-O 3.25Å; K510-L527 HydrophobicContact CG-CD2 3.62Å; K510-L527 HydrophobicContact CG-CG 3.82Å; K510-L527 PolarHBondContact NZ-O 2.99Å; K510-L527 WeakPolarHBondContact O-CD2 3.43Å; K510-F529 HydrophobicContact CB-CE2 4.35Å; K510-F529 HydrophobicContact CB-CZ 4.39Å; K510-L548 HydrophobicContact CB-CD2 4.29Å
511	D	94.5	Very high	96.1	Very high	118 Å²	118	35.9 Å²	35.9	63%	0.631	21%	0.211	S	C	*	.	H	α-helix	trans	-66.7	-39.6	-176.5	-58.2	-31.2	0	0	0	112.2	L513 A514 N515	D511-L513 PolarHBondContact O-N 3.36Å; D511-A514 PolarHBondContact O-N 3.33Å; D511-N515 WeakPolarHBondContact O-CB 3.13Å; D511-N515 VanDerWaalsContact O-CG 3.25Å; D511-N515 PolarHBondContact O-N 2.93Å; D511-N515 PolarHBondContact O-ND2 2.98Å; D511-N515 VanDerWaalsContact O-ND2 3.13Å
512	E	96.1	Very high	96.6	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-46.7	174.8	177.8	180	-159.3	0	0	112.2	Y506 F508 T509 K510 N515 L516	Y506-E512 WeakPolarHBondContact CE1-OE1 3.21Å; Y506-E512 WeakPolarHBondContact CE1-OE2 3.42Å; Y506-E512 PolarHBondContact OH-OE1 3.48Å; F508-E512 HydrophobicContact CD1-CG 4.41Å; T509-E512 PolarHBondContact N-OE2 2.81Å; T509-E512 WeakPolarHBondContact OG1-CB 3.34Å; T509-E512 PolarHBondContact OG1-N 2.76Å; K510-E512 PolarHBondContact O-N 3.4Å; E512-N515 PolarHBondContact O-N 3.01Å; E512-L516 HydrophobicContact CG-CD1 4.16Å; E512-L516 WeakPolarHBondContact O-CB 3.18Å; E512-L516 WeakPolarHBondContact O-CG 3.48Å; E512-L516 PolarHBondContact O-N 3.32Å
513	L	97.7	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-43.9	177.1	-76.2	178.7	0	0	0	111.9	L444 F471 F508 T509 K510 D511 N515 L516 F517 L527 L548	L444-L513 HydrophobicContact CD2-CD2 4.05Å; F471-L513 HydrophobicContact CD1-CD1 4.31Å; F471-L513 HydrophobicContact CE1-CD1 3.48Å; F471-L513 VanDerWaalsContact CE1-CD1 3.48Å; F471-L513 HydrophobicContact CE1-CD2 3.87Å; F471-L513 HydrophobicContact CE1-CG 4.35Å; F471-L513 HydrophobicContact CE2-CD2 4.43Å; F471-L513 HydrophobicContact CZ-CD1 4.06Å; F471-L513 HydrophobicContact CZ-CD2 3.6Å; F508-L513 HydrophobicContact CB-CD1 3.93Å; F508-L513 HydrophobicContact CB-CD2 4.16Å; F508-L513 HydrophobicContact CB-CG 3.76Å; F508-L513 HydrophobicContact CD1-CD2 3.59Å; F508-L513 HydrophobicContact CD1-CG 4.05Å; F508-L513 HydrophobicContact CD2-CD2 4.31Å; F508-L513 HydrophobicContact CE1-CD2 4.01Å; F508-L513 HydrophobicContact CG-CD1 4.3Å; F508-L513 HydrophobicContact CG-CD2 3.76Å; F508-L513 HydrophobicContact CG-CG 3.95Å; T509-L513 PolarHBondContact O-N 3.21Å; K510-L513 PolarHBondContact O-N 3.45Å; D511-L513 PolarHBondContact O-N 3.36Å; L513-N515 VanDerWaalsContact C-N 3.29Å; L513-N515 PolarHBondContact O-N 3.29Å; L513-L516 PolarHBondContact O-N 2.78Å; L513-F517 HydrophobicContact CB-CD2 4.29Å; L513-F517 HydrophobicContact CB-CE2 3.81Å; L513-F517 HydrophobicContact CB-CZ 4.49Å; L513-F517 HydrophobicContact CD2-CE2 4.4Å; L513-F517 HydrophobicContact CD2-CZ 4.24Å; L513-F517 WeakPolarHBondContact O-CD2 3.48Å; L513-F517 VanDerWaalsContact O-CG 3.3Å; L513-F517 WeakPolarHBondContact O-CG 3.4Å; L513-F517 PolarHBondContact O-N 3.36Å; L513-L527 HydrophobicContact CB-CD1 4.37Å; L513-L527 HydrophobicContact CB-CD2 4.17Å; L513-L527 HydrophobicContact CD1-CD1 4.07Å; L513-L548 HydrophobicContact CD1-CB 3.65Å; L513-L548 HydrophobicContact CD1-CD1 3.69Å; L513-L548 HydrophobicContact CD1-CG 4.17Å
514	A	97.7	Very high	96.9	Very high	29 Å²	29	38.4 Å²	38.4	24%	0.24	23%	0.227	C	C	.	.	H	α-helix	trans	-55.8	-47.4	176.8	0	0	0	0	0	111	K510 D511 F517 S518 L527	K510-A514 PolarHBondContact O-N 3.2Å; D511-A514 PolarHBondContact O-N 3.33Å; A514-F517 PolarHBondContact O-N 3.16Å; A514-S518 WeakPolarHBondContact O-CB 3.2Å; A514-S518 PolarHBondContact O-N 3.43Å; A514-S518 PolarHBondContact O-OG 2.84Å; A514-L527 HydrophobicContact CB-CD2 4.02Å
515	N	97.2	Very high	96.7	Very high	98 Å²	98	43.2 Å²	43.2	52%	0.524	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-44	176.6	-71.7	-31.6	0	0	0	112.5	D511 E512 L513 F517 S518 N519	D511-N515 WeakPolarHBondContact O-CB 3.13Å; D511-N515 VanDerWaalsContact O-CG 3.25Å; D511-N515 PolarHBondContact O-N 2.93Å; D511-N515 PolarHBondContact O-ND2 2.98Å; D511-N515 VanDerWaalsContact O-ND2 3.13Å; E512-N515 PolarHBondContact O-N 3.01Å; L513-N515 VanDerWaalsContact C-N 3.29Å; L513-N515 PolarHBondContact O-N 3.29Å; N515-F517 PolarHBondContact O-N 3.09Å; N515-S518 PolarHBondContact O-N 3.1Å; N515-N519 VanDerWaalsContact O-CB 3.22Å; N515-N519 WeakPolarHBondContact O-CB 3.38Å; N515-N519 PolarHBondContact O-N 2.79Å; N515-N519 PolarHBondContact O-ND2 2.88Å
516	L	98.1	Very high	96.6	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-43.4	177.1	-80.5	171.2	0	0	0	112.1	L444 M452 L453 L456 F508 E512 L513 A520	L444-L516 HydrophobicContact CD2-CD1 4.32Å; M452-L516 HydrophobicContact CB-CD2 4.48Å; M452-L516 HydrophobicContact SD-CD1 4.49Å; L453-L516 HydrophobicContact CB-CD2 4.34Å; L456-L516 HydrophobicContact CD1-CB 3.72Å; F508-L516 HydrophobicContact CE1-CD1 4.3Å; E512-L516 HydrophobicContact CG-CD1 4.16Å; E512-L516 WeakPolarHBondContact O-CB 3.18Å; E512-L516 WeakPolarHBondContact O-CG 3.48Å; E512-L516 PolarHBondContact O-N 3.32Å; L513-L516 PolarHBondContact O-N 2.78Å; L516-A520 WeakPolarHBondContact O-CB 3.44Å; L516-A520 PolarHBondContact O-N 3.13Å; L516-A520 VanDerWaalsContact O-N 3.13Å
517	F	98.5	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-46.7	177.4	-64.1	-47	0	0	0	112	L456 L469 F471 L513 A514 N515 N519 A520 G521 L522 V524 A550 C552	L456-F517 HydrophobicContact CD1-CD1 4.03Å; L456-F517 HydrophobicContact CD1-CE1 4.24Å; L456-F517 HydrophobicContact CD2-CD1 4.01Å; L456-F517 HydrophobicContact CD2-CE1 3.8Å; L469-F517 HydrophobicContact CD2-CD1 4.2Å; L469-F517 HydrophobicContact CD2-CE1 3.85Å; F471-F517 HydrophobicContact CB-CZ 4.03Å; F471-F517 AromaticContact CD1-CZ 3.83Å; F471-F517 HydrophobicContact CD1-CZ 3.83Å; F471-F517 HydrophobicContact CD2-CE1 4.18Å; F471-F517 AromaticContact CD2-CZ 3.87Å; F471-F517 HydrophobicContact CD2-CZ 3.87Å; F471-F517 HydrophobicContact CE1-CZ 4.24Å; F471-F517 HydrophobicContact CE2-CZ 4.25Å; F471-F517 HydrophobicContact CG-CE1 4.29Å; F471-F517 AromaticContact CG-CZ 3.63Å; F471-F517 HydrophobicContact CG-CZ 3.63Å; F471-F517 HydrophobicContact CZ-CZ 4.41Å; L513-F517 HydrophobicContact CB-CD2 4.29Å; L513-F517 HydrophobicContact CB-CE2 3.81Å; L513-F517 HydrophobicContact CB-CZ 4.49Å; L513-F517 HydrophobicContact CD2-CE2 4.4Å; L513-F517 HydrophobicContact CD2-CZ 4.24Å; L513-F517 WeakPolarHBondContact O-CD2 3.48Å; L513-F517 VanDerWaalsContact O-CG 3.3Å; L513-F517 WeakPolarHBondContact O-CG 3.4Å; L513-F517 PolarHBondContact O-N 3.36Å; A514-F517 PolarHBondContact O-N 3.16Å; N515-F517 PolarHBondContact O-N 3.09Å; F517-N519 PolarHBondContact O-N 2.87Å; F517-A520 PolarHBondContact O-N 3.11Å; F517-A520 VanDerWaalsContact O-N 3.15Å; F517-G521 PolarHBondContact O-N 3.21Å; F517-L522 HydrophobicContact CB-CB 4.4Å; F517-L522 HydrophobicContact CD1-CD1 4.36Å; F517-L522 WeakPolarHBondContact O-CB 3.46Å; F517-L522 PolarHBondContact O-N 3.46Å; F517-V524 HydrophobicContact CB-CG2 3.76Å; F517-V524 HydrophobicContact CD2-CG2 3.91Å; F517-V524 HydrophobicContact CG-CG2 4.26Å; F517-A550 HydrophobicContact CE2-CB 3.72Å; F517-A550 HydrophobicContact CZ-CB 4.1Å; F517-C552 VanDerWaalsContact CD2-SG 3.51Å; F517-C552 VanDerWaalsContact CG-SG 3.55Å
518	S	97.5	Very high	96.2	Very high	70 Å²	70	46.1 Å²	46.1	49%	0.49	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-42.5	177.9	-63.7	0	0	0	0	112.2	A514 N515 A520 G521	A514-S518 WeakPolarHBondContact O-CB 3.2Å; A514-S518 PolarHBondContact O-N 3.43Å; A514-S518 PolarHBondContact O-OG 2.84Å; N515-S518 PolarHBondContact O-N 3.1Å; S518-A520 PolarHBondContact O-N 2.74Å; S518-G521 PolarHBondContact O-N 2.66Å
519	N	97.7	Very high	95.7	Very high	115 Å²	115	50.3 Å²	50.3	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-24.6	176.2	-71.6	-19.5	0	0	0	113	L453 N515 F517 G521	L453-N519 HydrophobicContact CD1-CB 3.75Å; L453-N519 HydrophobicContact CD2-CB 4.46Å; N515-N519 VanDerWaalsContact O-CB 3.22Å; N515-N519 WeakPolarHBondContact O-CB 3.38Å; N515-N519 PolarHBondContact O-N 2.79Å; N515-N519 PolarHBondContact O-ND2 2.88Å; F517-N519 PolarHBondContact O-N 2.87Å; N519-G521 VanDerWaalsContact C-N 3.28Å
520	A	97.8	Very high	95.3	Very high	10 Å²	10	49.4 Å²	49.4	8%	0.083	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.3	172.9	0	0	0	0	0	113.6	L453 L456 A460 L516 F517 S518	L453-A520 HydrophobicContact CD1-CB 4.09Å; L456-A520 HydrophobicContact CB-CB 3.5Å; A460-A520 VanDerWaalsContact CB-O 3.3Å; A460-A520 WeakPolarHBondContact CB-O 3.32Å; L516-A520 WeakPolarHBondContact O-CB 3.44Å; L516-A520 PolarHBondContact O-N 3.13Å; L516-A520 VanDerWaalsContact O-N 3.13Å; F517-A520 PolarHBondContact O-N 3.11Å; F517-A520 VanDerWaalsContact O-N 3.15Å; S518-A520 PolarHBondContact O-N 2.74Å
521	G	96.7	Very high	94.8	Very high	46 Å²	46	50.8 Å²	50.8	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	23.3	-178.7	0	0	0	0	0	114.5	F517 S518 N519 P555	F517-G521 PolarHBondContact O-N 3.21Å; S518-G521 PolarHBondContact O-N 2.66Å; N519-G521 VanDerWaalsContact C-N 3.28Å; G521-P555 WeakPolarHBondContact O-CD 3.45Å
522	L	97.4	Very high	94.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	27%	0.266	C	S	.	.			trans	-104.5	140.6	177	-61.1	170.1	0	0	0	111.2	A460 L463 L469 F517 C552 E553 K554	A460-L522 HydrophobicContact CB-CD2 3.88Å; A460-L522 HydrophobicContact CB-CG 4.07Å; L463-L522 HydrophobicContact CD1-CD2 3.94Å; L469-L522 HydrophobicContact CB-CD1 4.49Å; L469-L522 HydrophobicContact CD2-CD1 3.79Å; F517-L522 HydrophobicContact CB-CB 4.4Å; F517-L522 HydrophobicContact CD1-CD1 4.36Å; F517-L522 WeakPolarHBondContact O-CB 3.46Å; F517-L522 PolarHBondContact O-N 3.46Å; L522-C552 HydrophobicContact CB-CB 4Å; L522-C552 HydrophobicContact CD1-CB 4.3Å; L522-E553 WeakPolarHBondContact CA-O 3.44Å; L522-K554 HydrophobicContact CD2-CB 4.32Å
523	S	96.8	Very high	93.1	Very high	42 Å²	42	51.8 Å²	51.8	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.5	168.7	54.2	0	0	0	0	110.1	H525 C552 E553	S523-H525 PolarHBondContact O-N 3.12Å; S523-C552 CarbonylContact O-C 3.57Å; S523-C552 WeakPolarHBondContact O-CA 3.43Å; S523-C552 WeakPolarHBondContact O-CB 3.16Å; S523-E553 PolarHBondContact N-O 3.36Å; S523-E553 PolarHBondContact O-N 2.75Å; S523-E553 PolarHBondContact OG-O 3.19Å; S523-E553 VanDerWaalsContact OG-O 3.1Å
524	V	96.4	Very high	91.8	Very high	51 Å²	51	54.9 Å²	54.9	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.3	178	-178.6	0	0	0	0	109	F517 L527	F517-V524 HydrophobicContact CB-CG2 3.76Å; F517-V524 HydrophobicContact CD2-CG2 3.91Å; F517-V524 HydrophobicContact CG-CG2 4.26Å; V524-L527 HydrophobicContact CG1-CB 3.6Å; V524-L527 HydrophobicContact CG1-CD2 4.5Å
525	H	92.3	Very high	90.6	Very high	106 Å²	106	61.2 Å²	61.2	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-39.9	174.2	-76.4	-88	0	0	0	111.9	S523 V551 E553	S523-H525 PolarHBondContact O-N 3.12Å; H525-V551 PolarHBondContact N-O 3.16Å; H525-E553 WeakPolarHBondContact CD2-CB 3.14Å; H525-E553 IonicContact CE1-OE2 2.97Å; H525-E553 WeakPolarHBondContact NE2-CB 3.39Å; H525-E553 IonicContact NE2-OE1 3.03Å; H525-E553 IonicContact NE2-OE2 2.67Å; H525-E553 PolarHBondContact NE2-OE2 3.08Å
526	R	94.6	Very high	89.2	Confident	40 Å²	40	59.9 Å²	59.9	15%	0.151	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	132.2	-176.5	176.8	171	65.9	169.7	8.7	108.7	S213 E318 E321 H528 A550 V551	S213-R526 WeakPolarHBondContact OG-CD 3.39Å; E318-R526 PolarHBondContact O-NH2 3.44Å; E321-R526 IonicContact OE2-NH2 3.44Å; R526-H528 WeakPolarHBondContact CG-ND1 3.42Å; R526-A550 CarbonylContact O-C 3.53Å; R526-A550 WeakPolarHBondContact O-CA 3.25Å; R526-A550 WeakPolarHBondContact O-CB 3.41Å; R526-V551 HydrophobicContact CB-CB 4.3Å; R526-V551 PolarHBondContact N-O 2.83Å; R526-V551 PolarHBondContact O-N 3.45Å
527	L	95	Very high	88	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	118.5	172	175.4	64.5	0	0	0	109.5	K510 L513 A514 V524 L548 Q549 A550	K510-L527 HydrophobicContact CD-CG 4.47Å; K510-L527 WeakPolarHBondContact CE-O 3.25Å; K510-L527 HydrophobicContact CG-CD2 3.62Å; K510-L527 HydrophobicContact CG-CG 3.82Å; K510-L527 PolarHBondContact NZ-O 2.99Å; K510-L527 WeakPolarHBondContact O-CD2 3.43Å; L513-L527 HydrophobicContact CB-CD1 4.37Å; L513-L527 HydrophobicContact CB-CD2 4.17Å; L513-L527 HydrophobicContact CD1-CD1 4.07Å; A514-L527 HydrophobicContact CB-CD2 4.02Å; V524-L527 HydrophobicContact CG1-CB 3.6Å; V524-L527 HydrophobicContact CG1-CD2 4.5Å; L527-L548 HydrophobicContact CD1-CD2 4.22Å; L527-Q549 WeakPolarHBondContact CA-O 3.41Å; L527-A550 HydrophobicContact CB-CB 4.33Å; L527-A550 HydrophobicContact CD1-CB 3.59Å
528	H	92.6	Very high	86.3	Confident	16 Å²	16	66.8 Å²	66.8	7%	0.074	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	159.8	-173.6	61.5	-76.1	0	0	0	112.4	S213 A215 R526 L548 Q549	S213-H528 PolarHBondContact OG-CE1 3.4Å; S213-H528 VanDerWaalsContact OG-CE1 3.3Å; S213-H528 PolarHBondContact OG-NE2 2.9Å; A215-H528 HydrophobicContact CB-CB 3.33Å; R526-H528 WeakPolarHBondContact CG-ND1 3.42Å; H528-L548 WeakPolarHBondContact O-CA 3.26Å; H528-Q549 PolarHBondContact N-O 2.99Å; H528-Q549 PolarHBondContact ND1-O 3.46Å; H528-Q549 PolarHBondContact O-N 3.14Å
529	F	85.5	Confident	85	Confident	88 Å²	88	71 Å²	71	39%	0.386	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.5	170.9	-68.7	-76	0	0	0	110.9	K510 V546 F547 L548	K510-F529 HydrophobicContact CB-CE2 4.35Å; K510-F529 HydrophobicContact CB-CZ 4.39Å; F529-V546 HydrophobicContact CD1-CG1 3.77Å; F529-V546 HydrophobicContact CE1-CG1 4.22Å; F529-F547 CarbonylContact C-O 3.59Å; F529-F547 VanDerWaalsContact CA-O 3.29Å; F529-F547 WeakPolarHBondContact CA-O 3.41Å; F529-L548 HydrophobicContact CD1-CD2 3.64Å; F529-L548 HydrophobicContact CD1-CG 3.81Å; F529-L548 HydrophobicContact CD2-CD2 4.41Å; F529-L548 HydrophobicContact CE1-CD1 3.95Å; F529-L548 HydrophobicContact CE1-CD2 3.64Å; F529-L548 HydrophobicContact CE1-CG 3.74Å; F529-L548 HydrophobicContact CE2-CD2 4.41Å; F529-L548 HydrophobicContact CG-CD2 4.05Å; F529-L548 HydrophobicContact CZ-CD2 4.04Å
530	V	87	Confident	83.8	Confident	23 Å²	23	71.8 Å²	71.8	14%	0.139	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107.5	168.4	-173.4	0	0	0	0	108	K532 F547 Q549	V530-K532 HydrophobicContact CG1-CG 4.24Å; V530-F547 HydrophobicContact CB-CB 4.35Å; V530-F547 PolarHBondContact N-O 2.83Å; V530-F547 PolarHBondContact O-N 2.8Å; V530-Q549 HydrophobicContact CG2-CB 3.73Å
531	H	84.1	Confident	82.4	Confident	123 Å²	123	74.7 Å²	74.7	57%	0.569	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.4	175.7	-63.6	-89.9	0	0	0	109.7	R545	H531-R545 WeakPolarHBondContact CA-O 3.45Å
532	K	80.6	Confident	81.1	Confident	66 Å²	66	74.6 Å²	74.6	29%	0.287	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.8	176.4	-69	-169.4	172.3	179	0	110.6	E318 V530 R545 F547	E318-K532 IonicContact OE1-NZ 2.83Å; E318-K532 PolarHBondContact OE1-NZ 3.01Å; E318-K532 IonicContact OE2-NZ 3.62Å; V530-K532 HydrophobicContact CG1-CG 4.24Å; K532-R545 HydrophobicContact CB-CB 4.39Å; K532-R545 PolarHBondContact N-O 3.13Å; K532-R545 WeakPolarHBondContact O-CA 3.4Å; K532-R545 VanDerWaalsContact O-CB 3.27Å; K532-R545 WeakPolarHBondContact O-CB 3.42Å; K532-R545 PolarHBondContact O-N 3.27Å; K532-F547 HydrophobicContact CB-CE2 4.23Å; K532-F547 HydrophobicContact CD-CE2 4.27Å; K532-F547 HydrophobicContact CG-CE2 4.42Å
533	E	75	Confident	80	Confident	119 Å²	119	75.1 Å²	75.1	56%	0.556	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	168.9	-169.6	174.2	100.5	0	0	110	C542 Q544	E533-C542 WeakPolarHBondContact CG-SG 3.27Å; E533-C542 PolarHBondContact OE1-SG 2.81Å; E533-Q544 PolarHBondContact OE2-NE2 3.31Å
534	T	70.2	Confident	78.9	Confident	66 Å²	66	77.8 Å²	77.8	41%	0.405	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.2	171.8	-57.8	0	0	0	0	109.7	V543 R545	T534-V543 PolarHBondContact N-O 2.97Å; T534-V543 WeakPolarHBondContact O-CG2 3.37Å; T534-V543 PolarHBondContact O-N 3.34Å; T534-R545 VanDerWaalsContact OG1-CG 3.31Å; T534-R545 WeakPolarHBondContact OG1-CG 3.43Å
535	R	72.7	Confident	78.5	Confident	162 Å²	162	77.6 Å²	77.6	61%	0.611	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	176.7	-166.1	174.6	-178.7	-175.1	3.4	111.6	V537	R535-V537 HydrophobicContact CG-CG2 4.16Å
536	N	67.8	Low	78.3	Confident	69 Å²	69	73.3 Å²	73.3	37%	0.369	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	91	164.1	-172.2	-19.8	0	0	0	109.5	A538 K539 D540 L541	N536-A538 PolarHBondContact O-N 2.85Å; N536-A538 WeakPolarHBondContact OD1-CB 3.4Å; N536-A538 PolarHBondContact OD1-N 3.37Å; N536-A538 VanDerWaalsContact OD1-N 3.1Å; N536-K539 PolarHBondContact O-N 2.75Å; N536-K539 VanDerWaalsContact O-N 3.09Å; N536-K539 PolarHBondContact OD1-N 3.03Å; N536-D540 PolarHBondContact O-N 2.88Å; N536-D540 VanDerWaalsContact O-N 3.15Å; N536-L541 HydrophobicContact CB-CB 4.43Å; N536-L541 PolarHBondContact N-O 2.87Å; N536-L541 PolarHBondContact O-N 3.18Å; N536-L541 VanDerWaalsContact O-N 3.07Å
537	V	71.6	Confident	78.3	Confident	77 Å²	77	72.2 Å²	72.2	47%	0.467	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-56.9	-31.7	179.8	-176.5	0	0	0	0	112.4	R535 K539 D540	R535-V537 HydrophobicContact CG-CG2 4.16Å; V537-K539 VanDerWaalsContact C-N 3.28Å; V537-K539 PolarHBondContact O-N 2.96Å; V537-D540 PolarHBondContact O-N 2.66Å
538	A	64	Low	78.3	Confident	94 Å²	94	71.5 Å²	71.5	78%	0.777	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-72.3	-22.6	-178.4	0	0	0	0	0	113.4	N536	N536-A538 PolarHBondContact O-N 2.85Å; N536-A538 WeakPolarHBondContact OD1-CB 3.4Å; N536-A538 PolarHBondContact OD1-N 3.37Å; N536-A538 VanDerWaalsContact OD1-N 3.1Å
539	K	69.4	Low	78.4	Confident	158 Å²	158	71 Å²	71	69%	0.687	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-109.4	8.1	177.7	-65.2	-169.9	175.3	-171.3	0	112.7	N536 V537 L541	N536-K539 PolarHBondContact O-N 2.75Å; N536-K539 VanDerWaalsContact O-N 3.09Å; N536-K539 PolarHBondContact OD1-N 3.03Å; V537-K539 VanDerWaalsContact C-N 3.28Å; V537-K539 PolarHBondContact O-N 2.96Å; K539-L541 HydrophobicContact CB-CB 4.02Å; K539-L541 PolarHBondContact O-N 2.96Å; K539-L541 VanDerWaalsContact O-N 3.1Å
540	D	73	Confident	79	Confident	132 Å²	132	66.8 Å²	66.8	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.1	41.8	-167.9	-157.9	28.7	0	0	0	113.4	N536 V537	N536-D540 PolarHBondContact O-N 2.88Å; N536-D540 VanDerWaalsContact O-N 3.15Å; V537-D540 PolarHBondContact O-N 2.66Å
541	L	67	Low	79.5	Confident	70 Å²	70	65.8 Å²	65.8	37%	0.366	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.3	-171.2	177.9	64.7	0	0	0	109	N536 K539 V543	N536-L541 HydrophobicContact CB-CB 4.43Å; N536-L541 PolarHBondContact N-O 2.87Å; N536-L541 PolarHBondContact O-N 3.18Å; N536-L541 VanDerWaalsContact O-N 3.07Å; K539-L541 HydrophobicContact CB-CB 4.02Å; K539-L541 PolarHBondContact O-N 2.96Å; K539-L541 VanDerWaalsContact O-N 3.1Å; L541-V543 HydrophobicContact CD1-CG1 3.73Å; L541-V543 HydrophobicContact CD2-CG1 3.95Å; L541-V543 HydrophobicContact CG-CG1 3.62Å
542	C	71	Confident	80.1	Confident	44 Å²	44	59.9 Å²	59.9	30%	0.297	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.4	172.6	-152.1	0	0	0	0	109.7	E533	E533-C542 WeakPolarHBondContact CG-SG 3.27Å; E533-C542 PolarHBondContact OE1-SG 2.81Å
543	V	73.5	Confident	80.8	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	-173.4	-60.1	0	0	0	0	111.4	H479 T534 L541 R545	H479-V543 HydrophobicContact CB-CB 4.23Å; H479-V543 WeakPolarHBondContact CE1-CG1 3.43Å; H479-V543 WeakPolarHBondContact ND1-CG1 3.49Å; T534-V543 PolarHBondContact N-O 2.97Å; T534-V543 WeakPolarHBondContact O-CG2 3.37Å; T534-V543 PolarHBondContact O-N 3.34Å; L541-V543 HydrophobicContact CD1-CG1 3.73Å; L541-V543 HydrophobicContact CD2-CG1 3.95Å; L541-V543 HydrophobicContact CG-CG1 3.62Å; V543-R545 HydrophobicContact CG2-CG 4.43Å
544	Q	74.5	Confident	81.7	Confident	99 Å²	99	55.3 Å²	55.3	46%	0.463	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.7	169.5	-67.9	-60.1	-23.6	0	0	109.6	H479 E533	H479-Q544 WeakPolarHBondContact CB-O 3.16Å; E533-Q544 PolarHBondContact OE2-NE2 3.31Å
545	R	87.4	Confident	82.6	Confident	47 Å²	47	55.5 Å²	55.5	18%	0.177	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134	178.2	-56.2	-56.3	-52.3	-77.5	2.8	109.7	D478 H531 K532 T534 V543 F547	D478-R545 WeakPolarHBondContact OD1-CA 3.45Å; D478-R545 IonicContact OD1-CZ 3.99Å; D478-R545 IonicContact OD1-NE 3.76Å; D478-R545 PolarHBondContact OD1-NE 2.8Å; D478-R545 IonicContact OD1-NH2 3.73Å; D478-R545 IonicContact OD2-CZ 3.76Å; D478-R545 IonicContact OD2-NE 3.21Å; D478-R545 PolarHBondContact OD2-NE 2.74Å; D478-R545 IonicContact OD2-NH2 3.56Å; D478-R545 PolarHBondContact OD2-NH2 2.94Å; H531-R545 WeakPolarHBondContact CA-O 3.45Å; K532-R545 HydrophobicContact CB-CB 4.39Å; K532-R545 PolarHBondContact N-O 3.13Å; K532-R545 WeakPolarHBondContact O-CA 3.4Å; K532-R545 VanDerWaalsContact O-CB 3.27Å; K532-R545 WeakPolarHBondContact O-CB 3.42Å; K532-R545 PolarHBondContact O-N 3.27Å; T534-R545 VanDerWaalsContact OG1-CG 3.31Å; T534-R545 WeakPolarHBondContact OG1-CG 3.43Å; V543-R545 HydrophobicContact CG2-CG 4.43Å; R545-F547 HydrophobicContact CB-CD2 4.44Å; R545-F547 HydrophobicContact CB-CE2 3.57Å; R545-F547 HydrophobicContact CB-CZ 3.67Å; R545-F547 HydrophobicContact CG-CZ 4.33Å
546	V	88.4	Confident	82.9	Confident	16 Å²	16	51.5 Å²	51.5	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.8	-178.8	-172.1	0	0	0	0	108.4	G475 D478 F529	G475-V546 PolarHBondContact N-O 3Å; D478-V546 HydrophobicContact CB-CB 4.15Å; D478-V546 PolarHBondContact OD1-N 2.74Å; F529-V546 HydrophobicContact CD1-CG1 3.77Å; F529-V546 HydrophobicContact CE1-CG1 4.22Å
547	F	94.1	Very high	82.8	Confident	17 Å²	17	56 Å²	56	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.8	176.1	-53.1	-67.3	0	0	0	109.8	F442 D473 Y474 F529 V530 K532 R545	F442-F547 AromaticContact CE1-CD1 3.64Å; F442-F547 HydrophobicContact CE1-CD1 3.64Å; F442-F547 AromaticContact CE1-CE1 3.76Å; F442-F547 HydrophobicContact CE1-CE1 3.76Å; F442-F547 AromaticContact CZ-CD1 3.84Å; F442-F547 HydrophobicContact CZ-CD1 3.84Å; F442-F547 AromaticContact CZ-CE1 3.84Å; F442-F547 HydrophobicContact CZ-CE1 3.84Å; D473-F547 CarbonylContact O-C 3.45Å; D473-F547 VanDerWaalsContact O-CA 3.25Å; D473-F547 WeakPolarHBondContact O-CA 3.34Å; D473-F547 WeakPolarHBondContact O-CB 3.08Å; Y474-F547 HydrophobicContact CD1-CD1 4.15Å; Y474-F547 AromaticContact CD1-CE1 3.9Å; Y474-F547 HydrophobicContact CD1-CE1 3.9Å; Y474-F547 HydrophobicContact CE1-CE1 4.12Å; F529-F547 CarbonylContact C-O 3.59Å; F529-F547 VanDerWaalsContact CA-O 3.29Å; F529-F547 WeakPolarHBondContact CA-O 3.41Å; V530-F547 HydrophobicContact CB-CB 4.35Å; V530-F547 PolarHBondContact N-O 2.83Å; V530-F547 PolarHBondContact O-N 2.8Å; K532-F547 HydrophobicContact CB-CE2 4.23Å; K532-F547 HydrophobicContact CD-CE2 4.27Å; K532-F547 HydrophobicContact CG-CE2 4.42Å; R545-F547 HydrophobicContact CB-CD2 4.44Å; R545-F547 HydrophobicContact CB-CE2 3.57Å; R545-F547 HydrophobicContact CB-CZ 3.67Å; R545-F547 HydrophobicContact CG-CZ 4.33Å
548	L	95	Very high	83.4	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.4	165.6	-81.1	155.9	0	0	0	108.5	R472 D473 F508 K510 L513 L527 H528 F529	R472-L548 VanDerWaalsContact CA-O 3.28Å; R472-L548 WeakPolarHBondContact CA-O 3.49Å; D473-L548 PolarHBondContact N-O 3.04Å; D473-L548 PolarHBondContact O-N 3.03Å; F508-L548 HydrophobicContact CB-CD1 3.81Å; F508-L548 WeakPolarHBondContact O-CD1 3.45Å; K510-L548 HydrophobicContact CB-CD2 4.29Å; L513-L548 HydrophobicContact CD1-CB 3.65Å; L513-L548 HydrophobicContact CD1-CD1 3.69Å; L513-L548 HydrophobicContact CD1-CG 4.17Å; L527-L548 HydrophobicContact CD1-CD2 4.22Å; H528-L548 WeakPolarHBondContact O-CA 3.26Å; F529-L548 HydrophobicContact CD1-CD2 3.64Å; F529-L548 HydrophobicContact CD1-CG 3.81Å; F529-L548 HydrophobicContact CD2-CD2 4.41Å; F529-L548 HydrophobicContact CE1-CD1 3.95Å; F529-L548 HydrophobicContact CE1-CD2 3.64Å; F529-L548 HydrophobicContact CE1-CG 3.74Å; F529-L548 HydrophobicContact CE2-CD2 4.41Å; F529-L548 HydrophobicContact CG-CD2 4.05Å; F529-L548 HydrophobicContact CZ-CD2 4.04Å
549	Q	95.8	Very high	84.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.019	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.9	176.6	178.5	164.8	-67.4	0	0	109.5	E318 F319 F471 L527 H528 V530	E318-Q549 PolarHBondContact O-NE2 2.64Å; E318-Q549 PolarHBondContact OE2-OE1 3.32Å; E318-Q549 VanDerWaalsContact OE2-OE1 3.07Å; F319-Q549 HydrophobicContact CE1-CG 3.59Å; F319-Q549 HydrophobicContact CZ-CG 3.63Å; F471-Q549 WeakPolarHBondContact O-CA 3.3Å; L527-Q549 WeakPolarHBondContact CA-O 3.41Å; H528-Q549 PolarHBondContact N-O 2.99Å; H528-Q549 PolarHBondContact ND1-O 3.46Å; H528-Q549 PolarHBondContact O-N 3.14Å; V530-Q549 HydrophobicContact CG2-CB 3.73Å
550	A	97.3	Very high	85.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.9	179.1	0	0	0	0	0	112.9	F471 F517 R526 L527	F471-A550 HydrophobicContact CB-CB 3.97Å; F471-A550 HydrophobicContact CD1-CB 4.06Å; F471-A550 HydrophobicContact CG-CB 4.41Å; F471-A550 PolarHBondContact N-O 3.32Å; F471-A550 PolarHBondContact O-N 3.33Å; F517-A550 HydrophobicContact CE2-CB 3.72Å; F517-A550 HydrophobicContact CZ-CB 4.1Å; R526-A550 CarbonylContact O-C 3.53Å; R526-A550 WeakPolarHBondContact O-CA 3.25Å; R526-A550 WeakPolarHBondContact O-CB 3.41Å; L527-A550 HydrophobicContact CB-CB 4.33Å; L527-A550 HydrophobicContact CD1-CB 3.59Å
551	V	96.6	Very high	86	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.9	162.6	179.3	0	0	0	0	106.1	F319 E321 L469 L470 H525 R526	F319-V551 HydrophobicContact CD1-CG2 4.09Å; F319-V551 HydrophobicContact CE1-CG2 4.28Å; E321-V551 HydrophobicContact CG-CG1 4.35Å; E321-V551 WeakPolarHBondContact OE1-CG1 3.36Å; E321-V551 WeakPolarHBondContact OE1-CG2 3.47Å; L469-V551 WeakPolarHBondContact O-CA 3.41Å; L470-V551 HydrophobicContact CD2-CG1 4.12Å; L470-V551 HydrophobicContact CD2-CG2 4.07Å; H525-V551 PolarHBondContact N-O 3.16Å; R526-V551 HydrophobicContact CB-CB 4.3Å; R526-V551 PolarHBondContact N-O 2.83Å; R526-V551 PolarHBondContact O-N 3.45Å
552	C	97	Very high	87.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.6	177	-46.2	0	0	0	0	109.2	R468 L469 F517 L522 S523	R468-C552 CarbonylContact C-O 3.43Å; R468-C552 WeakPolarHBondContact CA-O 3.27Å; R468-C552 WeakPolarHBondContact CB-O 3.22Å; L469-C552 HydrophobicContact CB-CB 4.27Å; L469-C552 PolarHBondContact N-O 2.95Å; L469-C552 PolarHBondContact O-N 2.95Å; F517-C552 VanDerWaalsContact CD2-SG 3.51Å; F517-C552 VanDerWaalsContact CG-SG 3.55Å; L522-C552 HydrophobicContact CB-CB 4Å; L522-C552 HydrophobicContact CD1-CB 4.3Å; S523-C552 CarbonylContact O-C 3.57Å; S523-C552 WeakPolarHBondContact O-CA 3.43Å; S523-C552 WeakPolarHBondContact O-CB 3.16Å
553	E	95.1	Very high	88.2	Confident	33 Å²	33	40.1 Å²	40.1	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.4	-179.4	-169.2	172.7	107.8	0	0	109.6	G467 R468 L522 S523 H525	G467-E553 CarbonylContact O-C 3.43Å; G467-E553 WeakPolarHBondContact O-CA 3.26Å; R468-E553 HydrophobicContact CG-CB 4.13Å; R468-E553 HydrophobicContact CG-CG 4.01Å; R468-E553 IonicContact CZ-OE2 3.92Å; R468-E553 IonicContact NE-OE2 2.88Å; R468-E553 PolarHBondContact NE-OE2 2.89Å; R468-E553 IonicContact NH2-OE2 2.61Å; R468-E553 PolarHBondContact NH2-OE2 3.5Å; L522-E553 WeakPolarHBondContact CA-O 3.44Å; S523-E553 PolarHBondContact N-O 3.36Å; S523-E553 PolarHBondContact O-N 2.75Å; S523-E553 PolarHBondContact OG-O 3.19Å; S523-E553 VanDerWaalsContact OG-O 3.1Å; H525-E553 WeakPolarHBondContact CD2-CB 3.14Å; H525-E553 IonicContact CE1-OE2 2.97Å; H525-E553 WeakPolarHBondContact NE2-CB 3.39Å; H525-E553 IonicContact NE2-OE1 3.03Å; H525-E553 IonicContact NE2-OE2 2.67Å; H525-E553 PolarHBondContact NE2-OE2 3.08Å
554	K	94	Very high	89.3	Confident	56 Å²	56	41.9 Å²	41.9	24%	0.243	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-80.2	120.8	165.7	-179	173.5	-177.6	167.1	0	107.7	A460 L463 G466 G467 L522 A556	A460-K554 WeakPolarHBondContact O-CD 3.29Å; A460-K554 PolarHBondContact O-NZ 3.38Å; L463-K554 HydrophobicContact CB-CB 4.08Å; L463-K554 HydrophobicContact CB-CD 3.88Å; L463-K554 HydrophobicContact CD1-CB 4.48Å; L463-K554 WeakPolarHBondContact O-CD 3.48Å; L463-K554 WeakPolarHBondContact O-CE 3.34Å; L463-K554 PolarHBondContact O-NZ 3.01Å; G466-K554 WeakPolarHBondContact CA-O 3.43Å; G466-K554 PolarHBondContact N-O 2.99Å; G467-K554 PolarHBondContact O-N 3.01Å; L522-K554 HydrophobicContact CD2-CB 4.32Å; K554-A556 PolarHBondContact O-N 3.11Å
555	P	89.8	Confident	90.4	Very high	69 Å²	69	37.5 Å²	37.5	45%	0.448	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-50.7	138.4	179.7	-27.3	34.8	0	0	0	112.1	G521 S557	G521-P555 WeakPolarHBondContact O-CD 3.45Å; P555-S557 PolarHBondContact O-N 2.79Å
556	A	78.2	Confident	90.7	Very high	78 Å²	78	36.7 Å²	36.7	65%	0.645	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-63.8	129.8	167.4	0	0	0	0	0	108.4	K554	K554-A556 PolarHBondContact O-N 3.11Å
557	S	66.9	Low	90.9	Very high	165 Å²	165	38.5 Å²	38.5	100%	1.154	25%	0.25	S	C	*	.			trans	-65.4	0	179.4	53.6	0	0	0	0	112.9	P555	P555-S557 PolarHBondContact O-N 2.79Å

Retrieved 557 of 557 residues in 195.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).