A0A087WRR7_MOUSE Loading...

Zinc finger protein 383

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WRR7, Species MOUSE (Mus musculus, Mouse), Gene Zfp383, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)

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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	47.2	Very low	39.7	Very low	246 Å²	246	158.2 Å²	158.2	100%	1.212	84%	0.841	S	S	*	*				0	119.1	0	-72.2	-173.4	144.9	0	0	107.4
2	S	42.4	Very low	39.2	Very low	124 Å²	124	160 Å²	160	87%	0.867	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-59.5	135	-165.3	-49.6	0	0	0	0	112.6
3	A	39.8	Very low	39.1	Very low	90 Å²	90	163.2 Å²	163.2	74%	0.744	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-60.1	139.7	179	0	0	0	0	0	111.1
4	P	41.6	Very low	38.8	Very low	119 Å²	119	167.4 Å²	167.4	77%	0.773	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-72.7	131	-177.3	-8.7	24.7	0	0	0	110.9	L6	P4-L6 PolarHBondContact O-N 3.06Å; P4-L6 VanDerWaalsContact O-N 3.1Å
5	L	40	Very low	38.3	Very low	170 Å²	170	160.7 Å²	160.7	89%	0.89	83%	0.833	S	S	*	*			trans	-62.8	104.7	167.8	-75.5	159.2	0	0	0	109.2	Q7	L5-Q7 PolarHBondContact O-N 3.46Å
6	L	39.9	Very low	37.9	Very low	168 Å²	168	160.4 Å²	160.4	88%	0.88	83%	0.829	S	S	*	*			trans	-67.2	102.3	169.8	-79.1	168.6	0	0	0	109.1	P4 R8	P4-L6 PolarHBondContact O-N 3.06Å; P4-L6 VanDerWaalsContact O-N 3.1Å; L6-R8 PolarHBondContact O-N 3.16Å
7	Q	40.5	Very low	37.7	Very low	149 Å²	149	156.7 Å²	156.7	70%	0.696	83%	0.827	S	S	*	*			trans	-56.8	117.3	169.1	-80.5	171	-35.9	0	0	109.6	L5 Y9	L5-Q7 PolarHBondContact O-N 3.46Å; Q7-Y9 HydrophobicContact CB-CE2 4.06Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.35Å; Q7-Y9 PolarHBondContact O-N 3.05Å; Q7-Y9 VanDerWaalsContact O-N 3.11Å
8	R	35.5	Very low	37.8	Very low	247 Å²	247	153.7 Å²	153.7	93%	0.932	82%	0.816	S	S	*	*			trans	-68.6	99.7	168.6	-69.7	178.4	176.9	172.2	-1.3	108.3	L6	L6-R8 PolarHBondContact O-N 3.16Å
9	Y	33.8	Very low	37.6	Very low	179 Å²	179	152.6 Å²	152.6	70%	0.702	81%	0.81	S	S	*	*			trans	-73.8	133.1	163.1	-71.2	-87.5	0	0	0	108.6	Q7 V11	Q7-Y9 HydrophobicContact CB-CE2 4.06Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.35Å; Q7-Y9 PolarHBondContact O-N 3.05Å; Q7-Y9 VanDerWaalsContact O-N 3.11Å; Y9-V11 PolarHBondContact O-N 3.31Å; Y9-V11 VanDerWaalsContact O-N 3.13Å
10	P	36.7	Very low	37.8	Very low	119 Å²	119	153.5 Å²	153.5	77%	0.773	81%	0.809	S	S	*	*			trans	-67.4	113	174.9	7.2	2.1	0	0	0	108.4	E12	P10-E12 PolarHBondContact O-N 3.1Å
11	V	39.4	Very low	37.7	Very low	129 Å²	129	149.8 Å²	149.8	78%	0.782	80%	0.801	S	S	*	*			trans	-66.8	107.1	164.6	175.8	0	0	0	0	106	Y9 K13	Y9-V11 PolarHBondContact O-N 3.31Å; Y9-V11 VanDerWaalsContact O-N 3.13Å; V11-K13 VanDerWaalsContact C-N 3.35Å; V11-K13 PolarHBondContact O-N 3.39Å
12	E	33.9	Very low	37.5	Very low	180 Å²	180	146.5 Å²	146.5	84%	0.841	78%	0.78	S	S	*	*			trans	-51.9	104.4	164.5	-72.9	-177.4	138.5	0	0	107.2	P10 R14	P10-E12 PolarHBondContact O-N 3.1Å; E12-R14 PolarHBondContact O-N 3.2Å
13	K	37.8	Very low	37.6	Very low	201 Å²	201	148.7 Å²	148.7	87%	0.874	78%	0.782	S	S	*	*			trans	-63.4	89.3	164.3	-78.6	-174.7	178.2	-179.7	0	105.5	V11 G15	V11-K13 VanDerWaalsContact C-N 3.35Å; V11-K13 PolarHBondContact O-N 3.39Å; K13-G15 PolarHBondContact O-N 3Å
14	R	34.2	Very low	38.1	Very low	223 Å²	223	153.2 Å²	153.2	84%	0.842	79%	0.785	S	S	*	*			trans	-62.5	87.4	159.6	-159	173.8	-154.6	-177.1	5.9	105	E12 M16	E12-R14 PolarHBondContact O-N 3.2Å; R14-M16 PolarHBondContact O-N 3.4Å
15	G	32.1	Very low	38.6	Very low	67 Å²	67	156.5 Å²	156.5	69%	0.691	79%	0.787	S	S	*	*			trans	-58.8	94.1	169	0	0	0	0	0	106	K13 A17	K13-G15 PolarHBondContact O-N 3Å; G15-A17 PolarHBondContact O-N 3.45Å
16	M	32.4	Very low	39.9	Very low	156 Å²	156	153.3 Å²	153.3	77%	0.768	78%	0.776	S	S	*	*			trans	-65.7	93.8	154.7	-67.7	-170.8	-163.6	0	0	103.9	R14 V18	R14-M16 PolarHBondContact O-N 3.4Å; M16-V18 HydrophobicContact CB-CG2 4.37Å; M16-V18 PolarHBondContact O-N 2.84Å
17	A	34.2	Very low	41.4	Very low	97 Å²	97	148.7 Å²	148.7	80%	0.802	76%	0.755	S	S	*	*			trans	-58.9	88.4	157.5	0	0	0	0	0	105	G15 D19	G15-A17 PolarHBondContact O-N 3.45Å; A17-D19 VanDerWaalsContact C-N 3.32Å; A17-D19 PolarHBondContact O-N 3.03Å
18	V	39.4	Very low	43.3	Very low	102 Å²	102	144.9 Å²	144.9	62%	0.618	74%	0.741	S	S	*	*			trans	-67.4	106.5	171.2	-168	0	0	0	0	103.8	M16 H20	M16-V18 HydrophobicContact CB-CG2 4.37Å; M16-V18 PolarHBondContact O-N 2.84Å; V18-H20 PolarHBondContact O-N 3.06Å
19	D	32.9	Very low	45.4	Very low	133 Å²	133	134 Å²	134	71%	0.711	70%	0.701	S	S	*	*			trans	-59.7	85.1	-178.8	-156.7	-8.6	0	0	0	108.9	A17 A21	A17-D19 VanDerWaalsContact C-N 3.32Å; A17-D19 PolarHBondContact O-N 3.03Å; D19-A21 PolarHBondContact O-N 3.26Å; D19-A21 VanDerWaalsContact O-N 3.13Å; D19-A21 WeakPolarHBondContact OD1-CB 3.14Å
20	H	41.7	Very low	47.6	Very low	170 Å²	170	129.3 Å²	129.3	79%	0.787	70%	0.695	S	S	*	*			trans	-82.3	43.4	174	-81.1	8	0	0	0	110	V18 K22	V18-H20 PolarHBondContact O-N 3.06Å; H20-K22 VanDerWaalsContact C-N 3.34Å
21	A	37.5	Very low	49.6	Very low	77 Å²	77	128.7 Å²	128.7	64%	0.636	69%	0.685	S	S	*	*			trans	-93	8.3	167.4	0	0	0	0	0	112.6	D19 N23	D19-A21 PolarHBondContact O-N 3.26Å; D19-A21 VanDerWaalsContact O-N 3.13Å; D19-A21 WeakPolarHBondContact OD1-CB 3.14Å; A21-N23 VanDerWaalsContact C-N 3.28Å; A21-N23 PolarHBondContact O-N 3.1Å
22	K	42.6	Very low	51.5	Low	177 Å²	177	125.1 Å²	125.1	77%	0.77	66%	0.663	S	S	*	*	S	Bend	trans	-77	83.8	167.8	-71.6	-173.2	-178.6	179.8	0	109.1	H20 K24	H20-K22 VanDerWaalsContact C-N 3.34Å; K22-K24 WeakPolarHBondContact O-CG 3.36Å; K22-K24 PolarHBondContact O-N 3.07Å
23	N	44.2	Very low	53.8	Low	169 Å²	169	117.3 Å²	117.3	90%	0.904	63%	0.628	S	S	*	*			trans	17.9	36.4	137.1	-126.2	-18	0	0	0	119	A21 K25	A21-N23 VanDerWaalsContact C-N 3.28Å; A21-N23 PolarHBondContact O-N 3.1Å; N23-K25 PolarHBondContact O-N 2.76Å
24	K	50.3	Low	55.8	Low	186 Å²	186	113.3 Å²	113.3	81%	0.809	62%	0.616	S	S	*	*			trans	-86.3	111.9	175.4	-77.2	-173.8	-179.5	-174.8	0	105.7	K22	K22-K24 WeakPolarHBondContact O-CG 3.36Å; K22-K24 PolarHBondContact O-N 3.07Å
25	K	51.3	Low	57.9	Low	188 Å²	188	108.7 Å²	108.7	82%	0.817	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-49.1	134.9	171.2	-67.8	179.6	178.3	-179.5	0	108.4	N23 V27	N23-K25 PolarHBondContact O-N 2.76Å; K25-V27 PolarHBondContact O-N 3.41Å
26	P	68	Low	59.9	Low	103 Å²	103	109.2 Å²	109.2	67%	0.669	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-55.7	128.1	174.3	-19	29.6	0	0	0	108.6	V28	P26-V28 PolarHBondContact O-N 3.28Å
27	V	71.4	Confident	62	Low	71 Å²	71	103.9 Å²	103.9	43%	0.43	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-65.6	122.4	172	179.4	0	0	0	0	107.2	K25 D31 V32 L63 L68	K25-V27 PolarHBondContact O-N 3.41Å; V27-D31 HydrophobicContact CG1-CB 4.31Å; V27-V32 HydrophobicContact CG1-CG1 4.26Å; V27-L63 HydrophobicContact CG1-CD2 3.91Å; V27-L68 HydrophobicContact CB-CD1 4.43Å
28	V	80.3	Confident	63.8	Low	68 Å²	68	102.7 Å²	102.7	41%	0.412	55%	0.547	S	S	.	.			trans	-105.4	162.3	176.6	-70.2	0	0	0	0	110.4	P26 S30 D31	P26-V28 PolarHBondContact O-N 3.28Å; V28-S30 WeakPolarHBondContact CG2-OG 3.27Å; V28-S30 PolarHBondContact O-N 3.25Å; V28-D31 VanDerWaalsContact CG2-OD2 3.23Å; V28-D31 WeakPolarHBondContact CG2-OD2 3.29Å; V28-D31 PolarHBondContact N-OD2 2.89Å; V28-D31 WeakPolarHBondContact O-CB 3.43Å; V28-D31 PolarHBondContact O-N 3.27Å
29	F	78.9	Confident	65.2	Low	19 Å²	19	104.2 Å²	104.2	8%	0.083	55%	0.548	C	S	.	.	H	α-helix	trans	-56.4	-36.1	-179.6	-177	-102.9	0	0	0	112.8	D31 V32 S33 M56 Y60 L63 P73 V75 I76	F29-D31 PolarHBondContact O-N 2.79Å; F29-V32 HydrophobicContact CD2-CG2 4.4Å; F29-V32 CarbonylContact O-C 3.6Å; F29-V32 WeakPolarHBondContact O-CG2 3.47Å; F29-V32 PolarHBondContact O-N 3.22Å; F29-S33 WeakPolarHBondContact O-CB 3.29Å; F29-S33 PolarHBondContact O-N 3.01Å; F29-S33 PolarHBondContact O-OG 2.73Å; F29-M56 HydrophobicContact CE1-CE 3.9Å; F29-M56 HydrophobicContact CZ-CE 3.74Å; F29-M56 HydrophobicContact CZ-SD 4.32Å; F29-Y60 HydrophobicContact CD2-CD2 4.25Å; F29-Y60 HydrophobicContact CE2-CD2 4.48Å; F29-L63 HydrophobicContact CB-CD1 4.25Å; F29-L63 HydrophobicContact CD2-CD1 3.83Å; F29-P73 HydrophobicContact CB-CG 4.13Å; F29-P73 HydrophobicContact CD1-CB 4.06Å; F29-P73 HydrophobicContact CD1-CG 3.59Å; F29-P73 HydrophobicContact CD2-CG 4.19Å; F29-P73 HydrophobicContact CE1-CB 4.21Å; F29-P73 HydrophobicContact CE1-CG 4.02Å; F29-P73 HydrophobicContact CG-CG 3.69Å; F29-V75 HydrophobicContact CE1-CG1 3.89Å; F29-V75 HydrophobicContact CZ-CG1 4.46Å; F29-I76 HydrophobicContact CE1-CD1 4.49Å; F29-I76 HydrophobicContact CE1-CG1 4.41Å; F29-I76 HydrophobicContact CE2-CD1 3.98Å; F29-I76 HydrophobicContact CE2-CG1 4.17Å; F29-I76 HydrophobicContact CZ-CD1 3.58Å; F29-I76 HydrophobicContact CZ-CG1 3.84Å
30	S	79.8	Confident	67.2	Low	81 Å²	81	102.8 Å²	102.8	57%	0.566	54%	0.537	S	S	*	.	H	α-helix	trans	-62.5	-19.9	176.6	54.9	0	0	0	0	114.4	V28 V32 S33	V28-S30 WeakPolarHBondContact CG2-OG 3.27Å; V28-S30 PolarHBondContact O-N 3.25Å; S30-V32 VanDerWaalsContact C-N 3.32Å; S30-S33 WeakPolarHBondContact CA-OG 3.27Å
31	D	79.5	Confident	69	Low	106 Å²	106	95 Å²	95	57%	0.567	50%	0.5	S	S	*	.	H	α-helix	trans	-79.6	-19.7	177.6	-59.5	-31.7	0	0	0	112.2	V27 V28 F29	V27-D31 HydrophobicContact CG1-CB 4.31Å; V28-D31 VanDerWaalsContact CG2-OD2 3.23Å; V28-D31 WeakPolarHBondContact CG2-OD2 3.29Å; V28-D31 PolarHBondContact N-OD2 2.89Å; V28-D31 WeakPolarHBondContact O-CB 3.43Å; V28-D31 PolarHBondContact O-N 3.27Å; F29-D31 PolarHBondContact O-N 2.79Å
32	V	79.8	Confident	71	Confident	53 Å²	53	96.7 Å²	96.7	32%	0.321	50%	0.495	S	S	.	.	H	α-helix	trans	-119.5	2.4	-178.5	-60.9	0	0	0	0	112.7	V27 F29 S30 N59 L63	V27-V32 HydrophobicContact CG1-CG1 4.26Å; F29-V32 HydrophobicContact CD2-CG2 4.4Å; F29-V32 CarbonylContact O-C 3.6Å; F29-V32 WeakPolarHBondContact O-CG2 3.47Å; F29-V32 PolarHBondContact O-N 3.22Å; S30-V32 VanDerWaalsContact C-N 3.32Å; V32-N59 HydrophobicContact CB-CB 4.46Å; V32-N59 HydrophobicContact CG2-CB 4.15Å; V32-N59 PolarHBondContact O-ND2 3.36Å; V32-L63 HydrophobicContact CG2-CD1 3.45Å; V32-L63 VanDerWaalsContact CG2-CD1 3.45Å; V32-L63 HydrophobicContact CG2-CG 4.17Å
33	S	82.3	Confident	72.9	Confident	17 Å²	17	93.5 Å²	93.5	12%	0.119	49%	0.494	C	S	.	.			trans	-98.9	145.9	176.5	65.1	0	0	0	0	111.6	F29 S30	F29-S33 WeakPolarHBondContact O-CB 3.29Å; F29-S33 PolarHBondContact O-N 3.01Å; F29-S33 PolarHBondContact O-OG 2.73Å; S30-S33 WeakPolarHBondContact CA-OG 3.27Å
34	L	79	Confident	74.6	Confident	116 Å²	116	86.7 Å²	86.7	61%	0.607	46%	0.457	S	S	*	.			trans	-102.2	128.7	166.3	-68.7	174	0	0	0	108.8	Y52	L34-Y52 HydrophobicContact CB-CE2 4.3Å; L34-Y52 WeakPolarHBondContact O-CE2 3.36Å; L34-Y52 PolarHBondContact O-OH 3.01Å
35	D	78.8	Confident	76.2	Confident	126 Å²	126	79.2 Å²	79.2	67%	0.674	43%	0.433	S	S	*	.			trans	-104.3	127.3	174.5	-67	-41.3	0	0	0	109
36	F	74.1	Confident	77.7	Confident	78 Å²	78	75.3 Å²	75.3	34%	0.342	43%	0.427	S	S	.	.			trans	-103.6	141.5	172.6	-73.2	-75.6	0	0	0	110	E40 W41 L44 Y52	F36-E40 HydrophobicContact CB-CB 4.41Å; F36-E40 HydrophobicContact CD1-CB 3.84Å; F36-W41 HydrophobicContact CB-CB 4.37Å; F36-W41 HydrophobicContact CB-CE3 4.34Å; F36-W41 AromaticContact CD2-CE3 4Å; F36-W41 HydrophobicContact CD2-CE3 4Å; F36-W41 HydrophobicContact CD2-CZ3 4.28Å; F36-W41 HydrophobicContact CG-CE3 4.38Å; F36-L44 HydrophobicContact CD1-CD1 4.29Å; F36-L44 HydrophobicContact CD2-CD1 4.06Å; F36-L44 HydrophobicContact CE1-CD1 4.14Å; F36-L44 HydrophobicContact CE1-CD2 4.5Å; F36-L44 HydrophobicContact CE2-CD1 3.91Å; F36-L44 HydrophobicContact CG-CD1 4.25Å; F36-L44 HydrophobicContact CZ-CD1 3.94Å; F36-Y52 AromaticContact CD2-CD2 3.89Å; F36-Y52 HydrophobicContact CD2-CD2 3.89Å; F36-Y52 AromaticContact CD2-CE2 3.68Å; F36-Y52 HydrophobicContact CD2-CE2 3.68Å; F36-Y52 AromaticContact CE2-CD2 3.53Å; F36-Y52 HydrophobicContact CE2-CD2 3.53Å; F36-Y52 AromaticContact CE2-CE2 3.72Å; F36-Y52 HydrophobicContact CE2-CE2 3.72Å; F36-Y52 HydrophobicContact CE2-CG 4.42Å
37	S	76	Confident	78.6	Confident	45 Å²	45	74.2 Å²	74.2	32%	0.315	43%	0.426	S	S	.	.			trans	-67.5	163.4	161.2	61.5	0	0	0	0	111.1	E39 E40 W41	S37-E39 VanDerWaalsContact C-N 3.25Å; S37-E39 WeakPolarHBondContact CB-OE2 3.4Å; S37-E39 PolarHBondContact O-N 3.13Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact N-OE2 3.47Å; S37-E40 PolarHBondContact O-N 2.78Å; S37-E40 WeakPolarHBondContact OG-CB 3.35Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 2.79Å; S37-E40 PolarHBondContact OG-OE2 3.49Å; S37-W41 PolarHBondContact O-N 3.18Å
38	Q	71.8	Confident	79.3	Confident	72 Å²	72	75.8 Å²	75.8	34%	0.336	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-41.9	178.2	-173.3	-178.2	-29.8	0	0	110.6	E42 W86	Q38-E42 WeakPolarHBondContact CG-OE1 3.37Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CB 3.34Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.28Å; Q38-W86 HydrophobicContact CB-CZ3 4.4Å; Q38-W86 HydrophobicContact CG-CD2 4.48Å; Q38-W86 HydrophobicContact CG-CH2 4.09Å; Q38-W86 HydrophobicContact CG-CZ2 4.41Å; Q38-W86 HydrophobicContact CG-CZ3 4.21Å
39	E	69	Low	79.6	Confident	134 Å²	134	75.2 Å²	75.2	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-64.8	-42	179.6	-59.2	82.5	179.4	0	0	112	S37 E42 C43	S37-E39 VanDerWaalsContact C-N 3.25Å; S37-E39 WeakPolarHBondContact CB-OE2 3.4Å; S37-E39 PolarHBondContact O-N 3.13Å; E39-E42 PolarHBondContact O-N 3.26Å; E39-C43 PolarHBondContact O-N 3.43Å; E39-C43 PolarHBondContact O-SG 3.49Å; E39-C43 VanDerWaalsContact O-SG 3.38Å
40	E	75.4	Confident	79.9	Confident	103 Å²	103	77.9 Å²	77.9	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-40.4	-179.5	-73.4	164	146.9	0	0	112.3	F36 S37 C43 L44	F36-E40 HydrophobicContact CB-CB 4.41Å; F36-E40 HydrophobicContact CD1-CB 3.84Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact N-OE2 3.47Å; S37-E40 PolarHBondContact O-N 2.78Å; S37-E40 WeakPolarHBondContact OG-CB 3.35Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 2.79Å; S37-E40 PolarHBondContact OG-OE2 3.49Å; E40-C43 WeakPolarHBondContact O-CB 3.28Å; E40-C43 PolarHBondContact O-N 3.09Å; E40-L44 PolarHBondContact O-N 2.89Å
41	W	79.3	Confident	80.3	Confident	5 Å²	5	79.2 Å²	79.2	2%	0.019	44%	0.435	C	S	.	.	H	α-helix	trans	-73.7	-33.4	177.6	-177.7	-81	0	0	0	113.6	F36 S37 C43 L44 R49 Y52 P85 W86	F36-W41 HydrophobicContact CB-CB 4.37Å; F36-W41 HydrophobicContact CB-CE3 4.34Å; F36-W41 AromaticContact CD2-CE3 4Å; F36-W41 HydrophobicContact CD2-CE3 4Å; F36-W41 HydrophobicContact CD2-CZ3 4.28Å; F36-W41 HydrophobicContact CG-CE3 4.38Å; S37-W41 PolarHBondContact O-N 3.18Å; W41-C43 PolarHBondContact O-N 2.83Å; W41-L44 HydrophobicContact CB-CD1 4.45Å; W41-L44 HydrophobicContact CD2-CD1 4.18Å; W41-L44 HydrophobicContact CE3-CD1 3.63Å; W41-L44 HydrophobicContact CZ3-CD1 4.12Å; W41-L44 WeakPolarHBondContact O-CB 3.48Å; W41-L44 PolarHBondContact O-N 2.71Å; W41-R49 VanDerWaalsContact CD1-CZ 3.4Å; W41-R49 HydrophobicContact CD2-CG 4.33Å; W41-R49 HydrophobicContact CH2-CB 4.04Å; W41-R49 HydrophobicContact CH2-CG 4.17Å; W41-R49 HydrophobicContact CZ2-CB 3.82Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 PolarHBondContact O-NE 2.92Å; W41-R49 PolarHBondContact O-NH2 2.85Å; W41-Y52 AromaticContact CH2-CD1 3.36Å; W41-Y52 HydrophobicContact CH2-CD1 3.36Å; W41-Y52 AromaticContact CH2-CE1 3.89Å; W41-Y52 HydrophobicContact CH2-CE1 3.89Å; W41-Y52 AromaticContact CH2-CG 3.95Å; W41-Y52 HydrophobicContact CH2-CG 3.95Å; W41-Y52 AromaticContact CZ3-CD1 3.23Å; W41-Y52 HydrophobicContact CZ3-CD1 3.23Å; W41-Y52 HydrophobicContact CZ3-CD2 4.18Å; W41-Y52 AromaticContact CZ3-CE1 3.58Å; W41-Y52 HydrophobicContact CZ3-CE1 3.58Å; W41-Y52 HydrophobicContact CZ3-CE2 4.46Å; W41-Y52 AromaticContact CZ3-CG 3.52Å; W41-Y52 HydrophobicContact CZ3-CG 3.52Å; W41-P85 HydrophobicContact CH2-CG 4.25Å; W41-P85 HydrophobicContact CZ2-CG 4.45Å; W41-P85 HydrophobicContact CZ3-CG 4.45Å; W41-W86 HydrophobicContact CB-CE3 4.18Å; W41-W86 HydrophobicContact CB-CH2 3.34Å; W41-W86 HydrophobicContact CB-CZ3 3.02Å; W41-W86 AromaticContact CD1-CH2 2.83Å; W41-W86 AromaticContact CD1-CZ2 3.47Å; W41-W86 VanDerWaalsContact CD1-CZ2 3.47Å; W41-W86 AromaticContact CD1-CZ3 3.28Å; W41-W86 HydrophobicContact CD2-CH2 4.27Å; W41-W86 AromaticContact CD2-CZ3 3.95Å; W41-W86 HydrophobicContact CD2-CZ3 3.95Å; W41-W86 HydrophobicContact CG-CE3 4.07Å; W41-W86 AromaticContact CG-CH2 3.19Å; W41-W86 HydrophobicContact CG-CH2 3.19Å; W41-W86 HydrophobicContact CG-CZ2 4.18Å; W41-W86 AromaticContact CG-CZ3 3.09Å; W41-W86 HydrophobicContact CG-CZ3 3.09Å; W41-W86 AromaticContact NE1-CH2 3.66Å; W41-W86 AromaticContact NE1-CZ2 3.9Å
42	E	78.5	Confident	80.8	Confident	113 Å²	113	75 Å²	75	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-29.4	171.6	-78.6	178.2	-165.1	0	0	110.6	Q38 E39 W86	Q38-E42 WeakPolarHBondContact CG-OE1 3.37Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CB 3.34Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.28Å; E39-E42 PolarHBondContact O-N 3.26Å; E42-W86 HydrophobicContact CG-CH2 4.22Å
43	C	82.4	Confident	81.1	Confident	110 Å²	110	75.5 Å²	75.5	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.6	170.3	-63.5	0	0	0	0	115	E39 E40 W41	E39-C43 PolarHBondContact O-N 3.43Å; E39-C43 PolarHBondContact O-SG 3.49Å; E39-C43 VanDerWaalsContact O-SG 3.38Å; E40-C43 WeakPolarHBondContact O-CB 3.28Å; E40-C43 PolarHBondContact O-N 3.09Å; W41-C43 PolarHBondContact O-N 2.83Å
44	L	80.1	Confident	81.4	Confident	27 Å²	27	79.5 Å²	79.5	14%	0.141	43%	0.429	C	S	.	.	S	Bend	trans	-78	128.2	177.6	-64.6	176.5	0	0	0	111	F36 E40 W41 Q48 R49	F36-L44 HydrophobicContact CD1-CD1 4.29Å; F36-L44 HydrophobicContact CD2-CD1 4.06Å; F36-L44 HydrophobicContact CE1-CD1 4.14Å; F36-L44 HydrophobicContact CE1-CD2 4.5Å; F36-L44 HydrophobicContact CE2-CD1 3.91Å; F36-L44 HydrophobicContact CG-CD1 4.25Å; F36-L44 HydrophobicContact CZ-CD1 3.94Å; E40-L44 PolarHBondContact O-N 2.89Å; W41-L44 HydrophobicContact CB-CD1 4.45Å; W41-L44 HydrophobicContact CD2-CD1 4.18Å; W41-L44 HydrophobicContact CE3-CD1 3.63Å; W41-L44 HydrophobicContact CZ3-CD1 4.12Å; W41-L44 WeakPolarHBondContact O-CB 3.48Å; W41-L44 PolarHBondContact O-N 2.71Å; L44-Q48 HydrophobicContact CB-CB 4.18Å; L44-Q48 HydrophobicContact CD2-CB 4.1Å; L44-R49 HydrophobicContact CB-CG 3.87Å; L44-R49 PolarHBondContact O-NE 3.3Å
45	G	84.5	Confident	81.9	Confident	29 Å²	29	76.6 Å²	76.6	30%	0.299	42%	0.416	S	S	.	.			trans	-69.8	163.2	173.2	0	0	0	0	0	112.6	A47 Q48 R49	G45-A47 VanDerWaalsContact C-N 3.34Å; G45-A47 PolarHBondContact O-N 3.16Å; G45-Q48 WeakPolarHBondContact O-CB 3.38Å; G45-Q48 PolarHBondContact O-N 3.24Å; G45-R49 PolarHBondContact O-N 2.76Å
46	P	83.9	Confident	82.4	Confident	105 Å²	105	70.7 Å²	70.7	68%	0.682	39%	0.385	S	S	*	.	H	α-helix	trans	-51.5	-47.5	-177.2	-28.1	34.9	0	0	0	113.9	Q48 R49 D50	P46-Q48 VanDerWaalsContact C-N 3.3Å; P46-Q48 PolarHBondContact O-N 3.46Å; P46-R49 WeakPolarHBondContact O-CB 3.49Å; P46-R49 PolarHBondContact O-N 3.21Å; P46-R49 VanDerWaalsContact O-N 3.16Å; P46-D50 PolarHBondContact O-N 2.95Å
47	A	86.9	Confident	83.1	Confident	80 Å²	80	69.6 Å²	69.6	66%	0.661	38%	0.382	S	S	*	.	H	α-helix	trans	-62.9	-33.3	178.9	0	0	0	0	0	113.4	G45 L51	G45-A47 VanDerWaalsContact C-N 3.34Å; G45-A47 PolarHBondContact O-N 3.16Å; A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 PolarHBondContact O-N 2.76Å
48	Q	84.3	Confident	83.7	Confident	105 Å²	105	72.9 Å²	72.9	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-73.2	-36.8	176.8	-66.2	174.8	-51.3	0	0	111.5	L44 G45 P46 D50 Y52	L44-Q48 HydrophobicContact CB-CB 4.18Å; L44-Q48 HydrophobicContact CD2-CB 4.1Å; G45-Q48 WeakPolarHBondContact O-CB 3.38Å; G45-Q48 PolarHBondContact O-N 3.24Å; P46-Q48 VanDerWaalsContact C-N 3.3Å; P46-Q48 PolarHBondContact O-N 3.46Å; Q48-D50 VanDerWaalsContact C-N 3.35Å; Q48-Y52 WeakPolarHBondContact O-CB 3.41Å; Q48-Y52 PolarHBondContact O-N 3.23Å
49	R	86.7	Confident	84.4	Confident	56 Å²	56	71.5 Å²	71.5	21%	0.211	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-38.9	174.8	-64.3	179.5	-175.1	-156.8	-2.4	111.3	W41 L44 G45 P46 Y52 K53 E84	W41-R49 VanDerWaalsContact CD1-CZ 3.4Å; W41-R49 HydrophobicContact CD2-CG 4.33Å; W41-R49 HydrophobicContact CH2-CB 4.04Å; W41-R49 HydrophobicContact CH2-CG 4.17Å; W41-R49 HydrophobicContact CZ2-CB 3.82Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 PolarHBondContact O-NE 2.92Å; W41-R49 PolarHBondContact O-NH2 2.85Å; L44-R49 HydrophobicContact CB-CG 3.87Å; L44-R49 PolarHBondContact O-NE 3.3Å; G45-R49 PolarHBondContact O-N 2.76Å; P46-R49 WeakPolarHBondContact O-CB 3.49Å; P46-R49 PolarHBondContact O-N 3.21Å; P46-R49 VanDerWaalsContact O-N 3.16Å; R49-Y52 WeakPolarHBondContact O-CB 3.45Å; R49-Y52 PolarHBondContact O-N 3.12Å; R49-K53 WeakPolarHBondContact O-CG 3.36Å; R49-K53 PolarHBondContact O-N 3.44Å; R49-K53 VanDerWaalsContact O-N 3.11Å; R49-E84 IonicContact NH1-OE1 2.63Å; R49-E84 PolarHBondContact NH1-OE1 3.3Å
50	D	86.5	Confident	85.3	Confident	75 Å²	75	66.4 Å²	66.4	40%	0.401	36%	0.362	S	S	.	.	H	α-helix	trans	-68.6	-44.6	176.2	-67	-25.3	0	0	0	111.1	P46 Q48 Y52 K53 D54	P46-D50 PolarHBondContact O-N 2.95Å; Q48-D50 VanDerWaalsContact C-N 3.35Å; D50-Y52 VanDerWaalsContact C-N 3.28Å; D50-Y52 PolarHBondContact O-N 3.43Å; D50-K53 WeakPolarHBondContact O-CB 3.4Å; D50-K53 PolarHBondContact O-N 2.86Å; D50-K53 IonicContact OD1-NZ 2.71Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å; D50-D54 PolarHBondContact O-N 3.5Å
51	L	88.3	Confident	85.8	Confident	109 Å²	109	64.4 Å²	64.4	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-56.7	-41.6	172.2	-178.9	64	0	0	0	112.2	A47 K53 D54 V55	A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 PolarHBondContact O-N 2.76Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.27Å; L51-D54 PolarHBondContact O-N 3.05Å; L51-V55 HydrophobicContact CD1-CG2 4.13Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 WeakPolarHBondContact O-CB 3.45Å; L51-V55 VanDerWaalsContact O-CG2 3.24Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 3.39Å
52	Y	88.8	Confident	86.1	Confident	18 Å²	18	67.8 Å²	67.8	7%	0.071	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-45.1	175.3	173.5	-94.2	0	0	0	112.3	L34 F36 W41 Q48 R49 D50 D54 V55 M56 L79 P85	L34-Y52 HydrophobicContact CB-CE2 4.3Å; L34-Y52 WeakPolarHBondContact O-CE2 3.36Å; L34-Y52 PolarHBondContact O-OH 3.01Å; F36-Y52 AromaticContact CD2-CD2 3.89Å; F36-Y52 HydrophobicContact CD2-CD2 3.89Å; F36-Y52 AromaticContact CD2-CE2 3.68Å; F36-Y52 HydrophobicContact CD2-CE2 3.68Å; F36-Y52 AromaticContact CE2-CD2 3.53Å; F36-Y52 HydrophobicContact CE2-CD2 3.53Å; F36-Y52 AromaticContact CE2-CE2 3.72Å; F36-Y52 HydrophobicContact CE2-CE2 3.72Å; F36-Y52 HydrophobicContact CE2-CG 4.42Å; W41-Y52 AromaticContact CH2-CD1 3.36Å; W41-Y52 HydrophobicContact CH2-CD1 3.36Å; W41-Y52 AromaticContact CH2-CE1 3.89Å; W41-Y52 HydrophobicContact CH2-CE1 3.89Å; W41-Y52 AromaticContact CH2-CG 3.95Å; W41-Y52 HydrophobicContact CH2-CG 3.95Å; W41-Y52 AromaticContact CZ3-CD1 3.23Å; W41-Y52 HydrophobicContact CZ3-CD1 3.23Å; W41-Y52 HydrophobicContact CZ3-CD2 4.18Å; W41-Y52 AromaticContact CZ3-CE1 3.58Å; W41-Y52 HydrophobicContact CZ3-CE1 3.58Å; W41-Y52 HydrophobicContact CZ3-CE2 4.46Å; W41-Y52 AromaticContact CZ3-CG 3.52Å; W41-Y52 HydrophobicContact CZ3-CG 3.52Å; Q48-Y52 WeakPolarHBondContact O-CB 3.41Å; Q48-Y52 PolarHBondContact O-N 3.23Å; R49-Y52 WeakPolarHBondContact O-CB 3.45Å; R49-Y52 PolarHBondContact O-N 3.12Å; D50-Y52 VanDerWaalsContact C-N 3.28Å; D50-Y52 PolarHBondContact O-N 3.43Å; Y52-D54 VanDerWaalsContact C-N 3.33Å; Y52-D54 PolarHBondContact O-N 2.93Å; Y52-V55 PolarHBondContact O-N 3.43Å; Y52-M56 HydrophobicContact CD1-CG 4.05Å; Y52-M56 HydrophobicContact CD2-CG 3.97Å; Y52-M56 HydrophobicContact CE1-CG 3.75Å; Y52-M56 HydrophobicContact CE2-CE 4.32Å; Y52-M56 HydrophobicContact CE2-CG 3.65Å; Y52-M56 HydrophobicContact CE2-SD 3.98Å; Y52-M56 HydrophobicContact CG-CG 4.21Å; Y52-M56 WeakPolarHBondContact O-CB 3.5Å; Y52-M56 WeakPolarHBondContact O-CG 3.47Å; Y52-M56 PolarHBondContact O-N 2.94Å; Y52-M56 VanDerWaalsContact OH-CE 3.27Å; Y52-M56 WeakPolarHBondContact OH-CE 3.37Å; Y52-L79 HydrophobicContact CD1-CD1 4.48Å; Y52-L79 HydrophobicContact CE1-CD1 4.06Å; Y52-L79 HydrophobicContact CE1-CD2 4.49Å; Y52-P85 HydrophobicContact CE1-CG 3.98Å
53	K	86.8	Confident	86.3	Confident	62 Å²	62	62.9 Å²	62.9	27%	0.27	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-49.2	177.9	-67.8	168.9	-166.9	159.4	0	110.4	R49 D50 L51 V55 M56 L57 L79	R49-K53 WeakPolarHBondContact O-CG 3.36Å; R49-K53 PolarHBondContact O-N 3.44Å; R49-K53 VanDerWaalsContact O-N 3.11Å; D50-K53 WeakPolarHBondContact O-CB 3.4Å; D50-K53 PolarHBondContact O-N 2.86Å; D50-K53 IonicContact OD1-NZ 2.71Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.27Å; K53-V55 PolarHBondContact O-N 3.25Å; K53-M56 PolarHBondContact O-N 3.01Å; K53-L57 WeakPolarHBondContact O-CB 3.38Å; K53-L57 VanDerWaalsContact O-CG 3.25Å; K53-L57 WeakPolarHBondContact O-CG 3.36Å; K53-L57 PolarHBondContact O-N 3.48Å; K53-L79 HydrophobicContact CG-CD2 3.95Å
54	D	88.6	Confident	86.3	Confident	101 Å²	101	61.3 Å²	61.3	54%	0.54	34%	0.339	S	S	.	.	H	α-helix	trans	-59.7	-49.1	-178.3	-66.3	-19.1	0	0	0	110.6	D50 L51 Y52 M56 L57 E58	D50-D54 PolarHBondContact O-N 3.5Å; L51-D54 PolarHBondContact O-N 3.05Å; Y52-D54 VanDerWaalsContact C-N 3.33Å; Y52-D54 PolarHBondContact O-N 2.93Å; D54-M56 PolarHBondContact O-N 3.38Å; D54-L57 PolarHBondContact O-N 2.78Å; D54-E58 VanDerWaalsContact O-CB 3.25Å; D54-E58 WeakPolarHBondContact O-CB 3.39Å; D54-E58 PolarHBondContact O-N 3.18Å
55	V	89.1	Confident	86.3	Confident	56 Å²	56	64.5 Å²	64.5	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-43.1	179.2	172.4	0	0	0	0	111.9	L51 Y52 K53 E58 N59	L51-V55 HydrophobicContact CD1-CG2 4.13Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 WeakPolarHBondContact O-CB 3.45Å; L51-V55 VanDerWaalsContact O-CG2 3.24Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 3.39Å; Y52-V55 PolarHBondContact O-N 3.43Å; K53-V55 PolarHBondContact O-N 3.25Å; V55-E58 PolarHBondContact O-N 3.09Å; V55-N59 VanDerWaalsContact O-CB 3.28Å; V55-N59 WeakPolarHBondContact O-CB 3.43Å; V55-N59 PolarHBondContact O-N 3.06Å; V55-N59 PolarHBondContact O-ND2 3.24Å; V55-N59 PolarHBondContact O-OD1 3.15Å
56	M	88.6	Confident	86	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-39.6	-179	-69.5	-70.6	-82.3	0	0	112.1	F29 Y52 K53 D54 Y60 V75 I76 L79	F29-M56 HydrophobicContact CE1-CE 3.9Å; F29-M56 HydrophobicContact CZ-CE 3.74Å; F29-M56 HydrophobicContact CZ-SD 4.32Å; Y52-M56 HydrophobicContact CD1-CG 4.05Å; Y52-M56 HydrophobicContact CD2-CG 3.97Å; Y52-M56 HydrophobicContact CE1-CG 3.75Å; Y52-M56 HydrophobicContact CE2-CE 4.32Å; Y52-M56 HydrophobicContact CE2-CG 3.65Å; Y52-M56 HydrophobicContact CE2-SD 3.98Å; Y52-M56 HydrophobicContact CG-CG 4.21Å; Y52-M56 WeakPolarHBondContact O-CB 3.5Å; Y52-M56 WeakPolarHBondContact O-CG 3.47Å; Y52-M56 PolarHBondContact O-N 2.94Å; Y52-M56 VanDerWaalsContact OH-CE 3.27Å; Y52-M56 WeakPolarHBondContact OH-CE 3.37Å; K53-M56 PolarHBondContact O-N 3.01Å; D54-M56 PolarHBondContact O-N 3.38Å; M56-Y60 PolarHBondContact O-N 2.94Å; M56-Y60 VanDerWaalsContact O-N 3.15Å; M56-V75 HydrophobicContact CE-CG1 4.36Å; M56-I76 HydrophobicContact CB-CD1 4.22Å; M56-I76 WeakPolarHBondContact O-CD1 3.45Å; M56-L79 HydrophobicContact CB-CD1 3.83Å; M56-L79 HydrophobicContact CG-CD1 4.39Å
57	L	88.8	Confident	85.4	Confident	55 Å²	55	66.6 Å²	66.6	29%	0.288	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-42.1	175.5	-68.6	173.5	0	0	0	111.6	K53 D54 Y60 S61 I76 E80	K53-L57 WeakPolarHBondContact O-CB 3.38Å; K53-L57 VanDerWaalsContact O-CG 3.25Å; K53-L57 WeakPolarHBondContact O-CG 3.36Å; K53-L57 PolarHBondContact O-N 3.48Å; D54-L57 PolarHBondContact O-N 2.78Å; L57-Y60 PolarHBondContact O-N 3.43Å; L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 3.22Å; L57-I76 HydrophobicContact CD2-CD1 4.42Å; L57-I76 HydrophobicContact CD2-CG2 4.01Å; L57-E80 HydrophobicContact CD2-CG 3.76Å
58	E	89.5	Confident	84.5	Confident	114 Å²	114	65.6 Å²	65.6	53%	0.533	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-45.6	176.1	-169.3	-173.5	158.9	0	0	111.2	D54 V55 Y60 S61 N62	D54-E58 VanDerWaalsContact O-CB 3.25Å; D54-E58 WeakPolarHBondContact O-CB 3.39Å; D54-E58 PolarHBondContact O-N 3.18Å; V55-E58 PolarHBondContact O-N 3.09Å; E58-Y60 VanDerWaalsContact C-N 3.31Å; E58-Y60 PolarHBondContact O-N 2.85Å; E58-S61 WeakPolarHBondContact O-CB 3.44Å; E58-S61 PolarHBondContact O-N 3.27Å; E58-S61 VanDerWaalsContact O-N 3.17Å; E58-N62 WeakPolarHBondContact O-CB 3.37Å; E58-N62 VanDerWaalsContact O-CG 3.25Å; E58-N62 PolarHBondContact O-N 2.92Å; E58-N62 PolarHBondContact O-ND2 3.39Å
59	N	86.9	Confident	83.9	Confident	42 Å²	42	69.9 Å²	69.9	23%	0.225	39%	0.385	C	S	.	.	H	α-helix	trans	-60.7	-40.9	178.3	-73	-10.7	0	0	0	111.8	V32 V55 L63	V32-N59 HydrophobicContact CB-CB 4.46Å; V32-N59 HydrophobicContact CG2-CB 4.15Å; V32-N59 PolarHBondContact O-ND2 3.36Å; V55-N59 VanDerWaalsContact O-CB 3.28Å; V55-N59 WeakPolarHBondContact O-CB 3.43Å; V55-N59 PolarHBondContact O-N 3.06Å; V55-N59 PolarHBondContact O-ND2 3.24Å; V55-N59 PolarHBondContact O-OD1 3.15Å; N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.43Å; N59-L63 PolarHBondContact O-N 3.21Å
60	Y	87.2	Confident	83.1	Confident	27 Å²	27	68.6 Å²	68.6	11%	0.106	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-45.2	174.1	179.3	-110.8	0	0	0	112.1	F29 M56 L57 E58 N62 L63 L64 K72 P73 I76	F29-Y60 HydrophobicContact CD2-CD2 4.25Å; F29-Y60 HydrophobicContact CE2-CD2 4.48Å; M56-Y60 PolarHBondContact O-N 2.94Å; M56-Y60 VanDerWaalsContact O-N 3.15Å; L57-Y60 PolarHBondContact O-N 3.43Å; E58-Y60 VanDerWaalsContact C-N 3.31Å; E58-Y60 PolarHBondContact O-N 2.85Å; Y60-N62 VanDerWaalsContact C-N 3.33Å; Y60-N62 PolarHBondContact O-N 2.92Å; Y60-L63 PolarHBondContact O-N 3.36Å; Y60-L64 HydrophobicContact CD1-CD1 4.13Å; Y60-L64 HydrophobicContact CE1-CD1 3.54Å; Y60-L64 HydrophobicContact CE1-CG 4.28Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.43Å; Y60-L64 HydrophobicContact CE2-CG 4.37Å; Y60-L64 WeakPolarHBondContact O-CG 3.44Å; Y60-L64 PolarHBondContact O-N 3.34Å; Y60-L64 VanDerWaalsContact O-N 3.11Å; Y60-K72 HydrophobicContact CE1-CG 4.26Å; Y60-K72 WeakPolarHBondContact OH-CA 3.33Å; Y60-K72 WeakPolarHBondContact OH-CB 2.95Å; Y60-P73 HydrophobicContact CD2-CG 4.42Å; Y60-I76 HydrophobicContact CD1-CG2 3.86Å; Y60-I76 HydrophobicContact CD2-CG1 4.42Å; Y60-I76 HydrophobicContact CE1-CG2 4.25Å; Y60-I76 HydrophobicContact CG-CG1 4.1Å; Y60-I76 HydrophobicContact CG-CG2 4.25Å
61	S	86.5	Confident	82.7	Confident	62 Å²	62	70.2 Å²	70.2	43%	0.434	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.6	-176.3	0	0	0	0	112.4	L57 E58 L64 S65	L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 3.22Å; E58-S61 WeakPolarHBondContact O-CB 3.44Å; E58-S61 PolarHBondContact O-N 3.27Å; E58-S61 VanDerWaalsContact O-N 3.17Å; S61-L64 PolarHBondContact O-N 3.18Å; S61-S65 WeakPolarHBondContact O-CB 3.49Å; S61-S65 PolarHBondContact O-N 3.45Å; S61-S65 PolarHBondContact O-OG 3.41Å
62	N	85.8	Confident	82.4	Confident	75 Å²	75	69.6 Å²	69.6	40%	0.401	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-45.1	176.9	-75.3	-24	0	0	0	110.8	E58 Y60 L64 S65 V66	E58-N62 WeakPolarHBondContact O-CB 3.37Å; E58-N62 VanDerWaalsContact O-CG 3.25Å; E58-N62 PolarHBondContact O-N 2.92Å; E58-N62 PolarHBondContact O-ND2 3.39Å; Y60-N62 VanDerWaalsContact C-N 3.33Å; Y60-N62 PolarHBondContact O-N 2.92Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 2.87Å; N62-S65 WeakPolarHBondContact O-CA 3.46Å; N62-S65 WeakPolarHBondContact O-CB 3.4Å; N62-S65 PolarHBondContact O-N 3.07Å; N62-V66 WeakPolarHBondContact O-CG2 3.5Å; N62-V66 PolarHBondContact O-N 2.93Å
63	L	81.8	Confident	82	Confident	11 Å²	11	70 Å²	70	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-58.4	-42.8	176.2	-75.7	168	0	0	0	112.7	V27 F29 V32 N59 Y60 S65 V66 L68 I70	V27-L63 HydrophobicContact CG1-CD2 3.91Å; F29-L63 HydrophobicContact CB-CD1 4.25Å; F29-L63 HydrophobicContact CD2-CD1 3.83Å; V32-L63 HydrophobicContact CG2-CD1 3.45Å; V32-L63 VanDerWaalsContact CG2-CD1 3.45Å; V32-L63 HydrophobicContact CG2-CG 4.17Å; N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.43Å; N59-L63 PolarHBondContact O-N 3.21Å; Y60-L63 PolarHBondContact O-N 3.36Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.04Å; L63-V66 PolarHBondContact O-N 3.17Å; L63-L68 HydrophobicContact CD2-CD1 3.92Å; L63-L68 WeakPolarHBondContact O-CB 3.35Å; L63-L68 PolarHBondContact O-N 2.99Å; L63-I70 HydrophobicContact CB-CD1 3.83Å; L63-I70 HydrophobicContact CD1-CD1 3.8Å; L63-I70 HydrophobicContact CD2-CD1 4.09Å; L63-I70 HydrophobicContact CG-CD1 4.13Å
64	L	82	Confident	81.6	Confident	76 Å²	76	73.7 Å²	73.7	40%	0.398	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-39.1	173.9	-66.7	177.2	0	0	0	111.7	Y60 S61 N62 V66 G67	Y60-L64 HydrophobicContact CD1-CD1 4.13Å; Y60-L64 HydrophobicContact CE1-CD1 3.54Å; Y60-L64 HydrophobicContact CE1-CG 4.28Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.43Å; Y60-L64 HydrophobicContact CE2-CG 4.37Å; Y60-L64 WeakPolarHBondContact O-CG 3.44Å; Y60-L64 PolarHBondContact O-N 3.34Å; Y60-L64 VanDerWaalsContact O-N 3.11Å; S61-L64 PolarHBondContact O-N 3.18Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 2.87Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 3.29Å; L64-G67 PolarHBondContact O-N 2.97Å
65	S	80.5	Confident	81.2	Confident	95 Å²	95	69.8 Å²	69.8	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-67.4	-26.8	179.8	-59.3	0	0	0	0	113.2	S61 N62 L63 G67	S61-S65 WeakPolarHBondContact O-CB 3.49Å; S61-S65 PolarHBondContact O-N 3.45Å; S61-S65 PolarHBondContact O-OG 3.41Å; N62-S65 WeakPolarHBondContact O-CA 3.46Å; N62-S65 WeakPolarHBondContact O-CB 3.4Å; N62-S65 PolarHBondContact O-N 3.07Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.04Å; S65-G67 PolarHBondContact O-N 3.37Å
66	V	78.5	Confident	81	Confident	112 Å²	112	67.1 Å²	67.1	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	2.5	172.5	-143.6	0	0	0	0	112.7	N62 L63 L64	N62-V66 WeakPolarHBondContact O-CG2 3.5Å; N62-V66 PolarHBondContact O-N 2.93Å; L63-V66 PolarHBondContact O-N 3.17Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 3.29Å
67	G	71.4	Confident	80.8	Confident	65 Å²	65	69 Å²	69	67%	0.67	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	13.8	-179	0	0	0	0	0	114	L64 S65	L64-G67 PolarHBondContact O-N 2.97Å; S65-G67 PolarHBondContact O-N 3.37Å
68	L	68.2	Low	80.4	Confident	60 Å²	60	67.5 Å²	67.5	31%	0.314	38%	0.381	S	S	.	.			trans	-81.2	121.3	173.5	-65.2	171.7	0	0	0	109.7	V27 L63 I70	V27-L68 HydrophobicContact CB-CD1 4.43Å; L63-L68 HydrophobicContact CD2-CD1 3.92Å; L63-L68 WeakPolarHBondContact O-CB 3.35Å; L63-L68 PolarHBondContact O-N 2.99Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 HydrophobicContact CB-CD1 4.08Å; L68-I70 HydrophobicContact CB-CG1 3.9Å; L68-I70 HydrophobicContact CD1-CD1 4.4Å; L68-I70 PolarHBondContact O-N 2.82Å
69	H	70.7	Confident	80.1	Confident	195 Å²	195	62.5 Å²	62.5	90%	0.903	36%	0.358	S	S	*	.			trans	-84	78.4	177.3	-144.3	-79.4	0	0	0	110
70	I	71.2	Confident	80	Confident	28 Å²	28	65.5 Å²	65.5	14%	0.144	37%	0.371	C	S	.	.			trans	-94.1	127.9	-178.3	-55	-178.6	0	0	0	109.4	L63 L68 K72	L63-I70 HydrophobicContact CB-CD1 3.83Å; L63-I70 HydrophobicContact CD1-CD1 3.8Å; L63-I70 HydrophobicContact CD2-CD1 4.09Å; L63-I70 HydrophobicContact CG-CD1 4.13Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 HydrophobicContact CB-CD1 4.08Å; L68-I70 HydrophobicContact CB-CG1 3.9Å; L68-I70 HydrophobicContact CD1-CD1 4.4Å; L68-I70 PolarHBondContact O-N 2.82Å; I70-K72 PolarHBondContact O-N 3.35Å
71	P	77.2	Confident	79.7	Confident	110 Å²	110	69.4 Å²	69.4	71%	0.714	39%	0.39	S	S	*	.			trans	-58	134.4	171	-20.4	31.1	0	0	0	110.3	P73	P71-P73 WeakPolarHBondContact O-CD 3.38Å; P71-P73 VanDerWaalsContact O-N 3.09Å
72	K	82.3	Confident	79.1	Confident	96 Å²	96	69.4 Å²	69.4	42%	0.417	40%	0.4	S	S	.	.			trans	-56.4	114.2	-179.8	-172.5	168.5	-179	162.7	0	111	Y60 I70 I76 E80	Y60-K72 HydrophobicContact CE1-CG 4.26Å; Y60-K72 WeakPolarHBondContact OH-CA 3.33Å; Y60-K72 WeakPolarHBondContact OH-CB 2.95Å; I70-K72 PolarHBondContact O-N 3.35Å; K72-I76 HydrophobicContact CG-CB 4.37Å; K72-I76 HydrophobicContact CG-CG2 4.14Å; K72-E80 WeakPolarHBondContact CE-OE1 3.23Å; K72-E80 WeakPolarHBondContact CE-OE2 3.23Å; K72-E80 IonicContact NZ-OE1 2.96Å; K72-E80 PolarHBondContact NZ-OE1 3.42Å; K72-E80 IonicContact NZ-OE2 2.99Å; K72-E80 PolarHBondContact NZ-OE2 2.88Å
73	P	81.1	Confident	78.7	Confident	27 Å²	27	70.9 Å²	70.9	18%	0.175	40%	0.403	C	S	.	.			trans	-63	146.9	-179.8	-22.7	33.8	0	0	0	111.6	F29 Y60 P71 V75 I76 S77	F29-P73 HydrophobicContact CB-CG 4.13Å; F29-P73 HydrophobicContact CD1-CB 4.06Å; F29-P73 HydrophobicContact CD1-CG 3.59Å; F29-P73 HydrophobicContact CD2-CG 4.19Å; F29-P73 HydrophobicContact CE1-CB 4.21Å; F29-P73 HydrophobicContact CE1-CG 4.02Å; F29-P73 HydrophobicContact CG-CG 3.69Å; Y60-P73 HydrophobicContact CD2-CG 4.42Å; P71-P73 WeakPolarHBondContact O-CD 3.38Å; P71-P73 VanDerWaalsContact O-N 3.09Å; P73-V75 HydrophobicContact CB-CG1 4.06Å; P73-V75 PolarHBondContact O-N 3.06Å; P73-I76 HydrophobicContact CB-CG1 4.15Å; P73-I76 HydrophobicContact CG-CG1 4.11Å; P73-I76 WeakPolarHBondContact O-CB 3.44Å; P73-I76 PolarHBondContact O-N 3.27Å; P73-S77 PolarHBondContact O-N 3.27Å
74	Q	76.8	Confident	78.2	Confident	138 Å²	138	74 Å²	74	65%	0.645	42%	0.417	S	S	*	.	H	α-helix	trans	-60.1	-34.7	-179.1	-166.5	173.4	11.5	0	0	112.1	S77 L78	Q74-S77 PolarHBondContact O-N 3.09Å; Q74-L78 WeakPolarHBondContact O-CG 3.49Å; Q74-L78 PolarHBondContact O-N 3.29Å
75	V	82.1	Confident	77.3	Confident	20 Å²	20	71.1 Å²	71.1	12%	0.121	40%	0.403	C	S	.	.	H	α-helix	trans	-60.6	-43.5	174.3	66.5	0	0	0	0	112	F29 M56 P73 S77 L78 L79 P85	F29-V75 HydrophobicContact CE1-CG1 3.89Å; F29-V75 HydrophobicContact CZ-CG1 4.46Å; M56-V75 HydrophobicContact CE-CG1 4.36Å; P73-V75 HydrophobicContact CB-CG1 4.06Å; P73-V75 PolarHBondContact O-N 3.06Å; V75-S77 VanDerWaalsContact C-N 3.34Å; V75-S77 PolarHBondContact O-N 3.47Å; V75-L78 WeakPolarHBondContact O-CB 3.5Å; V75-L78 PolarHBondContact O-N 3.28Å; V75-L78 VanDerWaalsContact O-N 3.13Å; V75-L79 HydrophobicContact CG2-CD1 4.26Å; V75-L79 HydrophobicContact CG2-CG 4.34Å; V75-L79 VanDerWaalsContact O-CG 3.31Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 2.85Å; V75-P85 HydrophobicContact CG2-CB 3.89Å; V75-P85 HydrophobicContact CG2-CG 4.29Å
76	I	84.7	Confident	76.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62.2	-43.7	177.1	-63.8	-57.3	0	0	0	110.5	F29 M56 L57 Y60 K72 P73 L78 L79 E80	F29-I76 HydrophobicContact CE1-CD1 4.49Å; F29-I76 HydrophobicContact CE1-CG1 4.41Å; F29-I76 HydrophobicContact CE2-CD1 3.98Å; F29-I76 HydrophobicContact CE2-CG1 4.17Å; F29-I76 HydrophobicContact CZ-CD1 3.58Å; F29-I76 HydrophobicContact CZ-CG1 3.84Å; M56-I76 HydrophobicContact CB-CD1 4.22Å; M56-I76 WeakPolarHBondContact O-CD1 3.45Å; L57-I76 HydrophobicContact CD2-CD1 4.42Å; L57-I76 HydrophobicContact CD2-CG2 4.01Å; Y60-I76 HydrophobicContact CD1-CG2 3.86Å; Y60-I76 HydrophobicContact CD2-CG1 4.42Å; Y60-I76 HydrophobicContact CE1-CG2 4.25Å; Y60-I76 HydrophobicContact CG-CG1 4.1Å; Y60-I76 HydrophobicContact CG-CG2 4.25Å; K72-I76 HydrophobicContact CG-CB 4.37Å; K72-I76 HydrophobicContact CG-CG2 4.14Å; P73-I76 HydrophobicContact CB-CG1 4.15Å; P73-I76 HydrophobicContact CG-CG1 4.11Å; P73-I76 WeakPolarHBondContact O-CB 3.44Å; P73-I76 PolarHBondContact O-N 3.27Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 3.41Å; I76-L79 PolarHBondContact O-N 2.8Å; I76-E80 WeakPolarHBondContact O-CG 3.38Å; I76-E80 PolarHBondContact O-N 3.47Å
77	S	83.7	Confident	75.2	Confident	42 Å²	42	69 Å²	69	29%	0.294	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-32.9	176.3	-173.7	0	0	0	0	113.2	P73 Q74 V75 Q81	P73-S77 PolarHBondContact O-N 3.27Å; Q74-S77 PolarHBondContact O-N 3.09Å; V75-S77 VanDerWaalsContact C-N 3.34Å; V75-S77 PolarHBondContact O-N 3.47Å; S77-Q81 VanDerWaalsContact O-CG 3.24Å; S77-Q81 WeakPolarHBondContact O-CG 3.24Å; S77-Q81 PolarHBondContact O-N 2.98Å; S77-Q81 PolarHBondContact O-NE2 3.28Å; S77-Q81 PolarHBondContact OG-NE2 2.89Å
78	L	81.2	Confident	73.9	Confident	22 Å²	22	71 Å²	71	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-73.1	-44.1	176	-72.2	169	0	0	0	111.2	Q74 V75 I76 E80 Q81 G82 K83 I88	Q74-L78 WeakPolarHBondContact O-CG 3.49Å; Q74-L78 PolarHBondContact O-N 3.29Å; V75-L78 WeakPolarHBondContact O-CB 3.5Å; V75-L78 PolarHBondContact O-N 3.28Å; V75-L78 VanDerWaalsContact O-N 3.13Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 3.41Å; L78-E80 PolarHBondContact O-N 3.1Å; L78-Q81 CarbonylContact O-C 3.51Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 2.77Å; L78-Q81 VanDerWaalsContact O-N 3.09Å; L78-G82 PolarHBondContact O-N 3.48Å; L78-K83 HydrophobicContact CB-CB 4.26Å; L78-K83 HydrophobicContact CD2-CB 4.04Å; L78-K83 HydrophobicContact CD2-CD 3.84Å; L78-K83 WeakPolarHBondContact O-CB 3.25Å; L78-K83 PolarHBondContact O-N 3.32Å; L78-I88 HydrophobicContact CD1-CG1 4.46Å
79	L	83.3	Confident	72.7	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-42	-179.9	-69.6	-178.7	0	0	0	112.1	Y52 K53 M56 V75 I76 Q81 G82 P85	Y52-L79 HydrophobicContact CD1-CD1 4.48Å; Y52-L79 HydrophobicContact CE1-CD1 4.06Å; Y52-L79 HydrophobicContact CE1-CD2 4.49Å; K53-L79 HydrophobicContact CG-CD2 3.95Å; M56-L79 HydrophobicContact CB-CD1 3.83Å; M56-L79 HydrophobicContact CG-CD1 4.39Å; V75-L79 HydrophobicContact CG2-CD1 4.26Å; V75-L79 HydrophobicContact CG2-CG 4.34Å; V75-L79 VanDerWaalsContact O-CG 3.31Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 2.85Å; I76-L79 PolarHBondContact O-N 2.8Å; L79-Q81 VanDerWaalsContact C-N 3.25Å; L79-Q81 PolarHBondContact O-N 3.23Å; L79-G82 PolarHBondContact O-N 3.06Å; L79-P85 HydrophobicContact CD2-CG 3.72Å
80	E	83.9	Confident	71.3	Confident	106 Å²	106	66.6 Å²	66.6	50%	0.495	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-30	174	-73.1	178.7	-173.6	0	0	113.3	L57 K72 I76 L78 G82	L57-E80 HydrophobicContact CD2-CG 3.76Å; K72-E80 WeakPolarHBondContact CE-OE1 3.23Å; K72-E80 WeakPolarHBondContact CE-OE2 3.23Å; K72-E80 IonicContact NZ-OE1 2.96Å; K72-E80 PolarHBondContact NZ-OE1 3.42Å; K72-E80 IonicContact NZ-OE2 2.99Å; K72-E80 PolarHBondContact NZ-OE2 2.88Å; I76-E80 WeakPolarHBondContact O-CG 3.38Å; I76-E80 PolarHBondContact O-N 3.47Å; L78-E80 PolarHBondContact O-N 3.1Å; E80-G82 PolarHBondContact O-N 2.94Å
81	Q	80	Confident	69.5	Low	108 Å²	108	74.8 Å²	74.8	51%	0.505	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.8	174.1	-68.8	172.2	25.9	0	0	112.7	S77 L78 L79 K83	S77-Q81 VanDerWaalsContact O-CG 3.24Å; S77-Q81 WeakPolarHBondContact O-CG 3.24Å; S77-Q81 PolarHBondContact O-N 2.98Å; S77-Q81 PolarHBondContact O-NE2 3.28Å; S77-Q81 PolarHBondContact OG-NE2 2.89Å; L78-Q81 CarbonylContact O-C 3.51Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 2.77Å; L78-Q81 VanDerWaalsContact O-N 3.09Å; L79-Q81 VanDerWaalsContact C-N 3.25Å; L79-Q81 PolarHBondContact O-N 3.23Å; Q81-K83 HydrophobicContact CB-CD 4.22Å; Q81-K83 HydrophobicContact CB-CG 4.16Å; Q81-K83 PolarHBondContact O-N 3.1Å
82	G	75	Confident	67.4	Low	62 Å²	62	77.5 Å²	77.5	64%	0.639	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	17.6	-173.8	0	0	0	0	0	113.8	L78 L79 E80	L78-G82 PolarHBondContact O-N 3.48Å; L79-G82 PolarHBondContact O-N 3.06Å; E80-G82 PolarHBondContact O-N 2.94Å
83	K	77.9	Confident	65.1	Low	106 Å²	106	76 Å²	76	46%	0.461	41%	0.407	S	S	.	.			trans	-90.3	152.5	178.3	-67.6	177	-180	164.4	0	111.1	L78 Q81	L78-K83 HydrophobicContact CB-CB 4.26Å; L78-K83 HydrophobicContact CD2-CB 4.04Å; L78-K83 HydrophobicContact CD2-CD 3.84Å; L78-K83 WeakPolarHBondContact O-CB 3.25Å; L78-K83 PolarHBondContact O-N 3.32Å; Q81-K83 HydrophobicContact CB-CD 4.22Å; Q81-K83 HydrophobicContact CB-CG 4.16Å; Q81-K83 PolarHBondContact O-N 3.1Å
84	E	70.6	Confident	62.9	Low	77 Å²	77	85.1 Å²	85.1	36%	0.36	44%	0.438	S	S	.	.			trans	-72.8	140.3	176.2	-64.1	-169.3	138.9	0	0	111.7	R49 W86 M87	R49-E84 IonicContact NH1-OE1 2.63Å; R49-E84 PolarHBondContact NH1-OE1 3.3Å; E84-W86 VanDerWaalsContact C-N 3.26Å; E84-W86 HydrophobicContact CB-CD2 4.36Å; E84-W86 PolarHBondContact O-N 3.07Å; E84-W86 VanDerWaalsContact O-N 3.1Å; E84-W86 VanDerWaalsContact OE2-CE2 3.28Å; E84-W86 VanDerWaalsContact OE2-CZ2 3.32Å; E84-W86 WeakPolarHBondContact OE2-CZ2 3.46Å; E84-W86 PolarHBondContact OE2-NE1 3.01Å; E84-M87 PolarHBondContact O-N 3.46Å
85	P	63.1	Low	61.1	Low	15 Å²	15	82.1 Å²	82.1	10%	0.097	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.2	-175.1	-32	36.9	0	0	0	116.5	W41 Y52 V75 L79 M87 I88	W41-P85 HydrophobicContact CH2-CG 4.25Å; W41-P85 HydrophobicContact CZ2-CG 4.45Å; W41-P85 HydrophobicContact CZ3-CG 4.45Å; Y52-P85 HydrophobicContact CE1-CG 3.98Å; V75-P85 HydrophobicContact CG2-CB 3.89Å; V75-P85 HydrophobicContact CG2-CG 4.29Å; L79-P85 HydrophobicContact CD2-CG 3.72Å; P85-M87 PolarHBondContact O-N 3.23Å; P85-I88 VanDerWaalsContact O-CD1 3.32Å; P85-I88 WeakPolarHBondContact O-CD1 3.47Å; P85-I88 WeakPolarHBondContact O-CG1 3.37Å
86	W	63.6	Low	58.9	Low	46 Å²	46	86.7 Å²	86.7	17%	0.174	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.9	-172.4	51.1	64.6	0	0	0	116.3	Q38 W41 E42 E84 I88	Q38-W86 HydrophobicContact CB-CZ3 4.4Å; Q38-W86 HydrophobicContact CG-CD2 4.48Å; Q38-W86 HydrophobicContact CG-CH2 4.09Å; Q38-W86 HydrophobicContact CG-CZ2 4.41Å; Q38-W86 HydrophobicContact CG-CZ3 4.21Å; W41-W86 HydrophobicContact CB-CE3 4.18Å; W41-W86 HydrophobicContact CB-CH2 3.34Å; W41-W86 HydrophobicContact CB-CZ3 3.02Å; W41-W86 AromaticContact CD1-CH2 2.83Å; W41-W86 AromaticContact CD1-CZ2 3.47Å; W41-W86 VanDerWaalsContact CD1-CZ2 3.47Å; W41-W86 AromaticContact CD1-CZ3 3.28Å; W41-W86 HydrophobicContact CD2-CH2 4.27Å; W41-W86 AromaticContact CD2-CZ3 3.95Å; W41-W86 HydrophobicContact CD2-CZ3 3.95Å; W41-W86 HydrophobicContact CG-CE3 4.07Å; W41-W86 AromaticContact CG-CH2 3.19Å; W41-W86 HydrophobicContact CG-CH2 3.19Å; W41-W86 HydrophobicContact CG-CZ2 4.18Å; W41-W86 AromaticContact CG-CZ3 3.09Å; W41-W86 HydrophobicContact CG-CZ3 3.09Å; W41-W86 AromaticContact NE1-CH2 3.66Å; W41-W86 AromaticContact NE1-CZ2 3.9Å; E42-W86 HydrophobicContact CG-CH2 4.22Å; E84-W86 VanDerWaalsContact C-N 3.26Å; E84-W86 HydrophobicContact CB-CD2 4.36Å; E84-W86 PolarHBondContact O-N 3.07Å; E84-W86 VanDerWaalsContact O-N 3.1Å; E84-W86 VanDerWaalsContact OE2-CE2 3.28Å; E84-W86 VanDerWaalsContact OE2-CZ2 3.32Å; E84-W86 WeakPolarHBondContact OE2-CZ2 3.46Å; E84-W86 PolarHBondContact OE2-NE1 3.01Å; W86-I88 PolarHBondContact O-N 3.14Å
87	M	50.7	Low	56.7	Low	117 Å²	117	88.9 Å²	88.9	58%	0.576	48%	0.482	S	S	*	.			trans	-67.7	6	170.2	-77.7	-68.5	-69.8	0	0	113.1	E84 P85 G89	E84-M87 PolarHBondContact O-N 3.46Å; P85-M87 PolarHBondContact O-N 3.23Å; M87-G89 PolarHBondContact O-N 3.29Å
88	I	45.5	Very low	54.9	Low	108 Å²	108	90.8 Å²	90.8	55%	0.554	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	92.8	169.8	-54.2	162.6	0	0	0	109.5	L78 P85 W86	L78-I88 HydrophobicContact CD1-CG1 4.46Å; P85-I88 VanDerWaalsContact O-CD1 3.32Å; P85-I88 WeakPolarHBondContact O-CD1 3.47Å; P85-I88 WeakPolarHBondContact O-CG1 3.37Å; W86-I88 PolarHBondContact O-N 3.14Å
89	G	42	Very low	53.2	Low	63 Å²	63	92.1 Å²	92.1	65%	0.649	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	13.2	157.1	0	0	0	0	0	119	M87 E91	M87-G89 PolarHBondContact O-N 3.29Å; G89-E91 PolarHBondContact O-N 3.27Å
90	K	41.4	Very low	51.2	Low	98 Å²	98	96.4 Å²	96.4	43%	0.426	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.7	-177.6	-73	-169.9	-178.3	177.6	0	116.6	L92	K90-L92 VanDerWaalsContact C-N 3.32Å; K90-L92 PolarHBondContact O-N 2.88Å
91	E	33.4	Very low	49.2	Very low	200 Å²	200	96.5 Å²	96.5	94%	0.935	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.4	-177.3	-95.8	-173.6	172.1	0	0	115.8	G89	G89-E91 PolarHBondContact O-N 3.27Å
92	L	33	Very low	48	Very low	167 Å²	167	93.2 Å²	93.2	87%	0.874	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-6.3	178.4	-117.1	108.7	0	0	0	116.6	K90	K90-L92 VanDerWaalsContact C-N 3.32Å; K90-L92 PolarHBondContact O-N 2.88Å
93	T	34.2	Very low	46.9	Very low	65 Å²	65	92.5 Å²	92.5	40%	0.399	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	2.7	-167.2	52	0	0	0	0	115.8	G95 L96 C97	T93-G95 PolarHBondContact O-N 2.83Å; T93-G95 VanDerWaalsContact O-N 3.11Å; T93-L96 PolarHBondContact O-N 3.49Å; T93-L96 VanDerWaalsContact O-N 3.07Å; T93-C97 WeakPolarHBondContact O-CB 3.23Å; T93-C97 PolarHBondContact O-N 2.93Å
94	R	35.6	Very low	45.1	Very low	219 Å²	219	91.4 Å²	91.4	83%	0.826	51%	0.506	S	S	*	.	H	α-helix	trans	-58.9	-28.6	-178.7	-166.6	177.4	-75.4	-172.8	-2.2	113.4
95	G	37.3	Very low	43.9	Very low	75 Å²	75	93.4 Å²	93.4	77%	0.773	52%	0.516	S	S	*	.	H	α-helix	trans	-78	-27.1	176.8	0	0	0	0	0	115.3	T93	T93-G95 PolarHBondContact O-N 2.83Å; T93-G95 VanDerWaalsContact O-N 3.11Å
96	L	36	Very low	43.3	Very low	115 Å²	115	94.7 Å²	94.7	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-97.6	-26.4	-178	-73.1	166.8	0	0	0	112.5	T93 S98 A99 L100	T93-L96 PolarHBondContact O-N 3.49Å; T93-L96 VanDerWaalsContact O-N 3.07Å; L96-S98 PolarHBondContact O-N 3.23Å; L96-A99 PolarHBondContact O-N 3.38Å; L96-L100 HydrophobicContact CB-CD1 4.41Å; L96-L100 PolarHBondContact O-N 3.29Å; L96-L100 VanDerWaalsContact O-N 3.1Å
97	C	40.3	Very low	42.5	Very low	46 Å²	46	99 Å²	99	31%	0.311	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-43.5	-175.2	-130.8	0	0	0	0	112.2	T93 A99 L100 E101	T93-C97 WeakPolarHBondContact O-CB 3.23Å; T93-C97 PolarHBondContact O-N 2.93Å; C97-A99 VanDerWaalsContact C-N 3.3Å; C97-A99 PolarHBondContact O-N 3.44Å; C97-L100 PolarHBondContact O-N 3.34Å; C97-E101 VanDerWaalsContact O-CB 3.23Å; C97-E101 WeakPolarHBondContact O-CB 3.44Å; C97-E101 VanDerWaalsContact O-CG 3.26Å; C97-E101 WeakPolarHBondContact O-CG 3.47Å; C97-E101 PolarHBondContact O-N 3.42Å; C97-E101 PolarHBondContact SG-OE1 3.11Å
98	S	44.8	Very low	42.2	Very low	83 Å²	83	98.2 Å²	98.2	58%	0.58	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-34.6	-178	-51.5	0	0	0	0	113.2	L96 S102	L96-S98 PolarHBondContact O-N 3.23Å; S98-S102 WeakPolarHBondContact O-CB 3.3Å; S98-S102 PolarHBondContact O-N 3.37Å; S98-S102 VanDerWaalsContact O-N 3.14Å
99	A	46.3	Very low	42.4	Very low	49 Å²	49	97.9 Å²	97.9	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-73.7	-43.3	175.8	0	0	0	0	0	111.5	L96 C97 M103	L96-A99 PolarHBondContact O-N 3.38Å; C97-A99 VanDerWaalsContact C-N 3.3Å; C97-A99 PolarHBondContact O-N 3.44Å; A99-M103 WeakPolarHBondContact O-CB 3.43Å; A99-M103 VanDerWaalsContact O-CG 3.25Å; A99-M103 WeakPolarHBondContact O-CG 3.19Å; A99-M103 PolarHBondContact O-N 3.02Å
100	L	40.4	Very low	42.8	Very low	100 Å²	100	95.8 Å²	95.8	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-69.6	-40.4	179.5	-84.1	158	0	0	0	113.4	L96 C97 M103 C104	L96-L100 HydrophobicContact CB-CD1 4.41Å; L96-L100 PolarHBondContact O-N 3.29Å; L96-L100 VanDerWaalsContact O-N 3.1Å; C97-L100 PolarHBondContact O-N 3.34Å; L100-M103 HydrophobicContact CB-CE 4.23Å; L100-M103 HydrophobicContact CD2-CE 3.27Å; L100-M103 HydrophobicContact CG-CE 3.63Å; L100-M103 CarbonylContact O-C 3.24Å; L100-M103 WeakPolarHBondContact O-CA 3.48Å; L100-M103 WeakPolarHBondContact O-CB 3.4Å; L100-M103 PolarHBondContact O-N 2.76Å; L100-C104 PolarHBondContact O-N 3.23Å
101	E	43.1	Very low	43	Very low	107 Å²	107	96.1 Å²	96.1	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-65.1	-46.2	174.1	-73	170.6	177.9	0	0	110.2	C97 M103 C104 E105	C97-E101 VanDerWaalsContact O-CB 3.23Å; C97-E101 WeakPolarHBondContact O-CB 3.44Å; C97-E101 VanDerWaalsContact O-CG 3.26Å; C97-E101 WeakPolarHBondContact O-CG 3.47Å; C97-E101 PolarHBondContact O-N 3.42Å; C97-E101 PolarHBondContact SG-OE1 3.11Å; E101-M103 PolarHBondContact O-N 3.11Å; E101-C104 PolarHBondContact O-N 3.07Å; E101-E105 PolarHBondContact O-N 3.19Å
102	S	53.3	Low	43.6	Very low	39 Å²	39	93.3 Å²	93.3	27%	0.273	51%	0.507	S	S	.	.	H	α-helix	trans	-58.8	-35.3	171.7	-176.4	0	0	0	0	111.7	S98 S106	S98-S102 WeakPolarHBondContact O-CB 3.3Å; S98-S102 PolarHBondContact O-N 3.37Å; S98-S102 VanDerWaalsContact O-N 3.14Å; S102-S106 VanDerWaalsContact O-CB 3.25Å; S102-S106 WeakPolarHBondContact O-CB 3.26Å; S102-S106 PolarHBondContact O-N 2.88Å; S102-S106 PolarHBondContact O-OG 3.48Å
103	M	51.7	Low	44.6	Very low	48 Å²	48	88.9 Å²	88.9	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-68.4	-38	172.1	-77.1	-169	-62.9	0	0	112.6	A99 L100 E101 S106 K107 F313	A99-M103 WeakPolarHBondContact O-CB 3.43Å; A99-M103 VanDerWaalsContact O-CG 3.25Å; A99-M103 WeakPolarHBondContact O-CG 3.19Å; A99-M103 PolarHBondContact O-N 3.02Å; L100-M103 HydrophobicContact CB-CE 4.23Å; L100-M103 HydrophobicContact CD2-CE 3.27Å; L100-M103 HydrophobicContact CG-CE 3.63Å; L100-M103 CarbonylContact O-C 3.24Å; L100-M103 WeakPolarHBondContact O-CA 3.48Å; L100-M103 WeakPolarHBondContact O-CB 3.4Å; L100-M103 PolarHBondContact O-N 2.76Å; E101-M103 PolarHBondContact O-N 3.11Å; M103-S106 PolarHBondContact O-N 2.9Å; M103-K107 WeakPolarHBondContact O-CG 3.32Å; M103-K107 PolarHBondContact O-N 3.41Å; M103-F313 HydrophobicContact SD-CE2 3.85Å
104	C	41.5	Very low	45.2	Very low	82 Å²	82	89.7 Å²	89.7	55%	0.554	48%	0.48	S	S	*	.	H	α-helix	trans	-70.3	-44.8	179.8	-151.2	0	0	0	0	111.5	L100 E101 S106 K107 L108	L100-C104 PolarHBondContact O-N 3.23Å; E101-C104 PolarHBondContact O-N 3.07Å; C104-S106 VanDerWaalsContact C-N 3.29Å; C104-S106 PolarHBondContact O-N 3.1Å; C104-K107 WeakPolarHBondContact O-CB 2.94Å; C104-K107 PolarHBondContact O-N 3Å; C104-K107 VanDerWaalsContact O-N 3.14Å; C104-L108 PolarHBondContact O-N 3.16Å
105	E	43.8	Very low	45.8	Very low	120 Å²	120	82.1 Å²	82.1	56%	0.561	46%	0.458	S	S	*	.	H	α-helix	trans	-57.9	-43.5	169.9	-72.5	-175.6	165.7	0	0	111.5	E101 K107 L108 L109 K300	E101-E105 PolarHBondContact O-N 3.19Å; E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 2.94Å; E105-L108 PolarHBondContact O-N 2.89Å; E105-L108 VanDerWaalsContact O-N 3.15Å; E105-L109 WeakPolarHBondContact O-CB 3.41Å; E105-L109 PolarHBondContact O-N 2.99Å; E105-K300 IonicContact OE2-NZ 2.91Å; E105-K300 PolarHBondContact OE2-NZ 3.15Å
106	S	51	Low	46.4	Very low	41 Å²	41	85.3 Å²	85.3	29%	0.287	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-36.4	177.6	-61.9	0	0	0	0	111.6	S102 M103 C104 S110	S102-S106 VanDerWaalsContact O-CB 3.25Å; S102-S106 WeakPolarHBondContact O-CB 3.26Å; S102-S106 PolarHBondContact O-N 2.88Å; S102-S106 PolarHBondContact O-OG 3.48Å; M103-S106 PolarHBondContact O-N 2.9Å; C104-S106 VanDerWaalsContact C-N 3.29Å; C104-S106 PolarHBondContact O-N 3.1Å; S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.08Å; S106-S110 PolarHBondContact O-OG 3.49Å
107	K	47.5	Very low	47.2	Very low	136 Å²	136	81.6 Å²	81.6	59%	0.591	43%	0.427	S	S	*	.	H	α-helix	trans	-66.3	-44	172.2	-76.1	178	-178.7	176.6	0	111.6	M103 C104 E105 S110 L111	M103-K107 WeakPolarHBondContact O-CG 3.32Å; M103-K107 PolarHBondContact O-N 3.41Å; C104-K107 WeakPolarHBondContact O-CB 2.94Å; C104-K107 PolarHBondContact O-N 3Å; C104-K107 VanDerWaalsContact O-N 3.14Å; E105-K107 VanDerWaalsContact C-N 3.27Å; E105-K107 PolarHBondContact O-N 2.94Å; K107-S110 PolarHBondContact O-N 3.33Å; K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 PolarHBondContact O-N 3.23Å
108	L	44.2	Very low	47.6	Very low	101 Å²	101	84.3 Å²	84.3	53%	0.529	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-43.1	-178.1	-144	165.7	0	0	0	111.3	C104 E105 L111 K112	C104-L108 PolarHBondContact O-N 3.16Å; E105-L108 PolarHBondContact O-N 2.89Å; E105-L108 VanDerWaalsContact O-N 3.15Å; L108-L111 PolarHBondContact O-N 3.4Å; L108-K112 HydrophobicContact CD2-CD 4.08Å; L108-K112 HydrophobicContact CD2-CG 4.26Å; L108-K112 WeakPolarHBondContact O-CG 3.47Å; L108-K112 PolarHBondContact O-N 3.18Å
109	L	50.6	Low	47.9	Very low	101 Å²	101	83 Å²	83	53%	0.529	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-37.8	173.5	-166.8	70.6	0	0	0	111.6	E105 K112 K113	E105-L109 WeakPolarHBondContact O-CB 3.41Å; E105-L109 PolarHBondContact O-N 2.99Å; L109-K112 PolarHBondContact O-N 2.77Å; L109-K113 WeakPolarHBondContact O-CG 3.4Å; L109-K113 PolarHBondContact O-N 3.14Å
110	S	50.5	Low	48.1	Very low	19 Å²	19	82.6 Å²	82.6	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-63.9	-44.4	173.5	-64.4	0	0	0	0	111.6	S106 K107 K112 K113 E114	S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.08Å; S106-S110 PolarHBondContact O-OG 3.49Å; K107-S110 PolarHBondContact O-N 3.33Å; S110-K112 PolarHBondContact O-N 3.08Å; S110-K113 PolarHBondContact O-N 3.24Å; S110-E114 WeakPolarHBondContact O-CG 3.32Å; S110-E114 PolarHBondContact O-N 3.07Å
111	L	43.9	Very low	48.5	Very low	106 Å²	106	78.5 Å²	78.5	56%	0.555	40%	0.396	S	S	*	.	H	α-helix	trans	-62	-43.4	176	-110.3	119	0	0	0	111.8	K107 L108 K113 E114 V115	K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 PolarHBondContact O-N 3.23Å; L108-L111 PolarHBondContact O-N 3.4Å; L111-K113 VanDerWaalsContact C-N 3.3Å; L111-K113 PolarHBondContact O-N 3.36Å; L111-E114 PolarHBondContact O-N 3.12Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.5Å
112	K	45.9	Very low	48.8	Very low	141 Å²	141	78.9 Å²	78.9	61%	0.613	40%	0.398	S	S	*	.	H	α-helix	trans	-60.1	-40.4	175.6	-76.7	178.9	176.7	177.9	0	111.8	L108 L109 S110 Y116	L108-K112 HydrophobicContact CD2-CD 4.08Å; L108-K112 HydrophobicContact CD2-CG 4.26Å; L108-K112 WeakPolarHBondContact O-CG 3.47Å; L108-K112 PolarHBondContact O-N 3.18Å; L109-K112 PolarHBondContact O-N 2.77Å; S110-K112 PolarHBondContact O-N 3.08Å; K112-Y116 PolarHBondContact O-N 2.88Å
113	K	55.4	Low	48.6	Very low	73 Å²	73	83 Å²	83	32%	0.317	41%	0.408	S	S	.	.	H	α-helix	trans	-68.8	-44.3	175.3	-72.1	-178.1	-177.6	-173.1	0	112	L109 S110 L111 V115 Y116 E117 P296	L109-K113 WeakPolarHBondContact O-CG 3.4Å; L109-K113 PolarHBondContact O-N 3.14Å; S110-K113 PolarHBondContact O-N 3.24Å; L111-K113 VanDerWaalsContact C-N 3.3Å; L111-K113 PolarHBondContact O-N 3.36Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 3.4Å; K113-Y116 WeakPolarHBondContact O-CB 3.44Å; K113-Y116 PolarHBondContact O-N 3.23Å; K113-Y116 VanDerWaalsContact O-N 3.14Å; K113-E117 VanDerWaalsContact O-CG 3.23Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 2.87Å; K113-P296 PolarHBondContact NZ-O 3.4Å
114	E	46	Very low	48.4	Very low	83 Å²	83	82.8 Å²	82.8	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-38	174.9	-75.5	175.4	-168.4	0	0	112.1	S110 L111 E117 I118	S110-E114 WeakPolarHBondContact O-CG 3.32Å; S110-E114 PolarHBondContact O-N 3.07Å; L111-E114 PolarHBondContact O-N 3.12Å; E114-E117 WeakPolarHBondContact O-CB 3.41Å; E114-E117 PolarHBondContact O-N 2.84Å; E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 3.29Å
115	V	47.8	Very low	48.7	Very low	59 Å²	59	82.6 Å²	82.6	36%	0.358	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-45.8	174.9	170.8	0	0	0	0	111.6	L111 K113 E117 I118 E119	L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.5Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 3.4Å; V115-E117 PolarHBondContact O-N 2.93Å; V115-I118 PolarHBondContact O-N 3.36Å; V115-E119 WeakPolarHBondContact O-CG 3.27Å; V115-E119 PolarHBondContact O-N 3.46Å
116	Y	50.8	Low	48.6	Very low	143 Å²	143	82.2 Å²	82.2	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-60.5	-33.3	174.2	-179.2	-95.7	0	0	0	111.8	K112 K113 E119 S120	K112-Y116 PolarHBondContact O-N 2.88Å; K113-Y116 WeakPolarHBondContact O-CB 3.44Å; K113-Y116 PolarHBondContact O-N 3.23Å; K113-Y116 VanDerWaalsContact O-N 3.14Å; Y116-E119 WeakPolarHBondContact O-CB 2.96Å; Y116-E119 PolarHBondContact O-N 3.33Å; Y116-S120 PolarHBondContact O-N 3.28Å
117	E	52.2	Low	48.1	Very low	37 Å²	37	88.4 Å²	88.4	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-73.8	-39.2	178.1	-70.1	167.3	-152.6	0	0	112.9	K113 E114 V115 E119 S120 C121 I285 R289	K113-E117 VanDerWaalsContact O-CG 3.23Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 2.87Å; E114-E117 WeakPolarHBondContact O-CB 3.41Å; E114-E117 PolarHBondContact O-N 2.84Å; V115-E117 PolarHBondContact O-N 2.93Å; E117-E119 PolarHBondContact O-N 3.11Å; E117-S120 WeakPolarHBondContact O-CA 3.27Å; E117-S120 VanDerWaalsContact O-CB 3.32Å; E117-S120 WeakPolarHBondContact O-CB 3.45Å; E117-S120 PolarHBondContact O-N 3.5Å; E117-S120 VanDerWaalsContact O-N 3.07Å; E117-C121 PolarHBondContact O-N 3.1Å; E117-I285 HydrophobicContact CB-CD1 4.39Å; E117-R289 IonicContact OE1-NH2 3.28Å; E117-R289 PolarHBondContact OE1-NH2 3.12Å; E117-R289 IonicContact OE2-CZ 2.83Å; E117-R289 IonicContact OE2-NH2 3.04Å; E117-R289 PolarHBondContact OE2-NH2 2.85Å
118	I	49.1	Very low	47.7	Very low	103 Å²	103	86 Å²	86	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-58.3	-39.6	170.9	-69.2	165.4	0	0	0	110.1	E114 V115 C121 Q122	E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 3.29Å; V115-I118 PolarHBondContact O-N 3.36Å; I118-C121 WeakPolarHBondContact O-CB 3.5Å; I118-C121 PolarHBondContact O-N 3.1Å; I118-Q122 WeakPolarHBondContact O-CG 3.42Å; I118-Q122 PolarHBondContact O-N 2.99Å
119	E	50.2	Low	47.3	Very low	55 Å²	55	84.9 Å²	84.9	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-33.9	175	-69.7	170.3	-175.2	0	0	112.5	V115 Y116 E117 Q122 R123 K192	V115-E119 WeakPolarHBondContact O-CG 3.27Å; V115-E119 PolarHBondContact O-N 3.46Å; Y116-E119 WeakPolarHBondContact O-CB 2.96Å; Y116-E119 PolarHBondContact O-N 3.33Å; E117-E119 PolarHBondContact O-N 3.11Å; E119-Q122 PolarHBondContact O-N 3.12Å; E119-R123 WeakPolarHBondContact O-CG 3.31Å; E119-R123 PolarHBondContact O-N 3.44Å; E119-K192 WeakPolarHBondContact OE1-CE 3.45Å; E119-K192 IonicContact OE1-NZ 2.55Å; E119-K192 PolarHBondContact OE1-NZ 3.2Å
120	S	50.4	Low	46.5	Very low	40 Å²	40	87.6 Å²	87.6	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-47.6	170.3	-163.5	0	0	0	0	111.2	Y116 E117 Q122 R123 E124	Y116-S120 PolarHBondContact O-N 3.28Å; E117-S120 WeakPolarHBondContact O-CA 3.27Å; E117-S120 VanDerWaalsContact O-CB 3.32Å; E117-S120 WeakPolarHBondContact O-CB 3.45Å; E117-S120 PolarHBondContact O-N 3.5Å; E117-S120 VanDerWaalsContact O-N 3.07Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.14Å; S120-R123 CarbonylContact O-C 3.54Å; S120-R123 WeakPolarHBondContact O-CB 3.47Å; S120-R123 PolarHBondContact O-N 2.86Å; S120-R123 VanDerWaalsContact O-N 3.09Å; S120-E124 PolarHBondContact O-N 3.02Å
121	C	50.1	Low	45.7	Very low	14 Å²	14	94.3 Å²	94.3	10%	0.095	45%	0.446	C	S	.	.	H	α-helix	trans	-56.4	-42.8	172.5	-93.4	0	0	0	0	112.2	E117 I118 E124 L125 C281 I285	E117-C121 PolarHBondContact O-N 3.1Å; I118-C121 WeakPolarHBondContact O-CB 3.5Å; I118-C121 PolarHBondContact O-N 3.1Å; C121-E124 PolarHBondContact O-N 2.9Å; C121-L125 WeakPolarHBondContact O-CB 3.45Å; C121-L125 WeakPolarHBondContact O-CG 3.47Å; C121-L125 PolarHBondContact O-N 3.17Å; C121-C281 HydrophobicContact CB-CB 4.15Å; C121-C281 WeakPolarHBondContact CB-SG 3.34Å; C121-C281 WeakPolarHBondContact SG-CB 3.48Å; C121-C281 CovalentContact SG-SG 2.03Å; C121-C281 PolarHBondContact SG-SG 3.11Å; C121-I285 HydrophobicContact CB-CD1 4.27Å; C121-I285 WeakPolarHBondContact SG-CD1 3.49Å
122	Q	48.6	Very low	44.8	Very low	116 Å²	116	93.7 Å²	93.7	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175	-79.2	-179.3	-19.1	0	0	111.2	I118 E119 S120 E124 L125 M126	I118-Q122 WeakPolarHBondContact O-CG 3.42Å; I118-Q122 PolarHBondContact O-N 2.99Å; E119-Q122 PolarHBondContact O-N 3.12Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.14Å; Q122-E124 VanDerWaalsContact C-N 3.34Å; Q122-E124 PolarHBondContact O-N 3.24Å; Q122-L125 PolarHBondContact O-N 3.08Å; Q122-M126 WeakPolarHBondContact O-CB 3.44Å; Q122-M126 WeakPolarHBondContact O-CG 3.5Å; Q122-M126 PolarHBondContact O-N 3.18Å
123	R	49.4	Very low	43.9	Very low	125 Å²	125	94.8 Å²	94.8	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-62.3	-38.7	174.8	-78	-175.8	-78.6	-176.4	-2.3	112.5	E119 S120 M126 R127	E119-R123 WeakPolarHBondContact O-CG 3.31Å; E119-R123 PolarHBondContact O-N 3.44Å; S120-R123 CarbonylContact O-C 3.54Å; S120-R123 WeakPolarHBondContact O-CB 3.47Å; S120-R123 PolarHBondContact O-N 2.86Å; S120-R123 VanDerWaalsContact O-N 3.09Å; R123-M126 PolarHBondContact O-N 2.88Å; R123-R127 WeakPolarHBondContact O-CG 3.23Å; R123-R127 PolarHBondContact O-N 3.34Å
124	E	47.1	Very low	42.4	Very low	43 Å²	43	96.4 Å²	96.4	20%	0.201	48%	0.483	C	S	.	.	H	α-helix	trans	-68.3	-44.3	175	-72.3	-162.7	155.8	0	0	112.4	S120 C121 Q122 M126 R127 L128 Q288	S120-E124 PolarHBondContact O-N 3.02Å; C121-E124 PolarHBondContact O-N 2.9Å; Q122-E124 VanDerWaalsContact C-N 3.34Å; Q122-E124 PolarHBondContact O-N 3.24Å; E124-M126 VanDerWaalsContact C-N 3.25Å; E124-M126 PolarHBondContact O-N 3.41Å; E124-R127 WeakPolarHBondContact O-CA 3.35Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.88Å; E124-L128 WeakPolarHBondContact O-CG 3.23Å; E124-L128 PolarHBondContact O-N 3.44Å; E124-Q288 PolarHBondContact OE1-NE2 3.13Å
125	L	47.8	Very low	41.4	Very low	78 Å²	78	97.7 Å²	97.7	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-56.6	-41.3	172.5	-81.6	170.3	0	0	0	111.6	C121 Q122 R127 L128 S129 Y269	C121-L125 WeakPolarHBondContact O-CB 3.45Å; C121-L125 WeakPolarHBondContact O-CG 3.47Å; C121-L125 PolarHBondContact O-N 3.17Å; Q122-L125 PolarHBondContact O-N 3.08Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.34Å; L125-S129 PolarHBondContact O-N 3.44Å; L125-Y269 HydrophobicContact CD2-CE1 3.74Å; L125-Y269 HydrophobicContact CG-CE1 4.28Å
126	M	41.7	Very low	40.1	Very low	113 Å²	113	100 Å²	100	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-68.2	-26.3	175.3	-68	-75.2	-80.5	0	0	113.2	Q122 R123 E124 S129	Q122-M126 WeakPolarHBondContact O-CB 3.44Å; Q122-M126 WeakPolarHBondContact O-CG 3.5Å; Q122-M126 PolarHBondContact O-N 3.18Å; R123-M126 PolarHBondContact O-N 2.88Å; E124-M126 VanDerWaalsContact C-N 3.25Å; E124-M126 PolarHBondContact O-N 3.41Å; M126-S129 PolarHBondContact O-OG 3.14Å; M126-S129 VanDerWaalsContact O-OG 3.1Å
127	R	41.3	Very low	38.8	Very low	171 Å²	171	96.3 Å²	96.3	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-78.6	-39.3	172.9	-74.7	171.9	178.1	173.6	-2.2	111.3	R123 E124 L125 S129 K130 H131	R123-R127 WeakPolarHBondContact O-CG 3.23Å; R123-R127 PolarHBondContact O-N 3.34Å; E124-R127 WeakPolarHBondContact O-CA 3.35Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.88Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 3.46Å; R127-S129 VanDerWaalsContact C-N 3.32Å; R127-K130 PolarHBondContact O-N 3.13Å; R127-H131 PolarHBondContact O-CD2 3.49Å
128	L	38.5	Very low	37.5	Very low	85 Å²	85	103.4 Å²	103.4	45%	0.445	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-36.4	176.8	-67.8	172.1	0	0	0	111.5	E124 L125 K130 H131	E124-L128 WeakPolarHBondContact O-CG 3.23Å; E124-L128 PolarHBondContact O-N 3.44Å; L125-L128 PolarHBondContact O-N 3.34Å; L128-K130 PolarHBondContact O-N 3.37Å; L128-H131 PolarHBondContact O-N 3.2Å
129	S	35.1	Very low	36.2	Very low	77 Å²	77	103.9 Å²	103.9	54%	0.538	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-18.3	175.3	73.2	0	0	0	0	114	L125 M126 R127	L125-S129 PolarHBondContact O-N 3.44Å; M126-S129 PolarHBondContact O-OG 3.14Å; M126-S129 VanDerWaalsContact O-OG 3.1Å; R127-S129 VanDerWaalsContact C-N 3.32Å
130	K	34.6	Very low	35	Very low	159 Å²	159	109.2 Å²	109.2	69%	0.691	59%	0.593	S	S	*	*	H	α-helix	trans	-87.1	-18.4	178.6	-75.4	-174.8	-179.2	-168.9	0	113.9	R127 L128	R127-K130 PolarHBondContact O-N 3.13Å; L128-K130 PolarHBondContact O-N 3.37Å
131	H	33.8	Very low	33.9	Very low	159 Å²	159	112 Å²	112	74%	0.736	62%	0.617	S	S	*	*	H	α-helix	trans	-119	9.4	-171.5	-69.8	-106	0	0	0	114.1	R127 L128 L133	R127-H131 PolarHBondContact O-CD2 3.49Å; L128-H131 PolarHBondContact O-N 3.2Å; H131-L133 PolarHBondContact O-N 3.33Å
132	S	25.9	Very low	32.7	Very low	94 Å²	94	117.2 Å²	117.2	66%	0.657	65%	0.652	S	S	*	*			trans	-78.3	66.9	168.8	60.5	0	0	0	0	110.9
133	L	26.8	Very low	31.5	Very low	164 Å²	164	121.2 Å²	121.2	86%	0.859	67%	0.67	S	S	*	*			trans	-139	66.3	170.4	-92.3	156.3	0	0	0	107.4	H131	H131-L133 PolarHBondContact O-N 3.33Å
134	S	23.6	Very low	30.4	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	69%	0.69	S	S	*	*			trans	-173.9	140.5	163.7	174.7	0	0	0	0	110
135	C	24.9	Very low	29.2	Very low	110 Å²	110	123.3 Å²	123.3	74%	0.743	72%	0.72	S	S	*	*			trans	89.9	87.7	175.5	-58.4	0	0	0	0	114.1
136	S	20.8	Very low	28.1	Very low	106 Å²	106	123.3 Å²	123.3	74%	0.741	74%	0.739	S	S	*	*				71.7	96.5	68.6	78.7	0	0	0	0	113.1
137	G	22.2	Very low	27.4	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	76%	0.755	S	S	*	*			trans	85.5	154	135.2	0	0	0	0	0	118.1
138	F	25.3	Very low	26.6	Very low	187 Å²	187	129.2 Å²	129.2	82%	0.82	77%	0.769	S	S	*	*			trans	89.4	80.8	165.2	-52.9	-73.9	0	0	0	114.3
139	T	22.7	Very low	25.9	Very low	112 Å²	112	134 Å²	134	69%	0.687	79%	0.789	S	S	*	*				60.6	111.9	86.5	62.8	0	0	0	0	111.6
140	D	23.9	Very low	25.3	Very low	168 Å²	168	134.2 Å²	134.2	90%	0.898	80%	0.804	S	S	*	*			trans	176.4	79.4	137.4	-81.7	-22.1	0	0	0	107.2
141	A	28	Very low	24.7	Very low	97 Å²	97	130.2 Å²	130.2	80%	0.802	81%	0.808	S	S	*	*			trans	-133.3	122.7	163.8	0	0	0	0	0	108.5
142	P	25.2	Very low	24.3	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	82%	0.817	S	S	*	*			trans	-82.8	138.2	-162.4	-6.7	26.1	0	0	0	112.9
143	E	22.7	Very low	24.1	Very low	199 Å²	199	131 Å²	131	93%	0.93	82%	0.82	S	S	*	*			trans	2.4	117.6	148.1	-59.1	176	162.3	0	0	117.6
144	C	26.1	Very low	24	Very low	132 Å²	132	128.9 Å²	128.9	89%	0.892	82%	0.819	S	S	*	*			trans	-136.2	116.7	144.5	-169	0	0	0	0	108.5
145	G	23.2	Very low	24	Very low	81 Å²	81	132.8 Å²	132.8	84%	0.835	83%	0.826	S	S	*	*			trans	-70.4	147.8	-173.1	0	0	0	0	0	114.4
146	G	24.8	Very low	23.9	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	83%	0.827	S	S	*	*			trans	-170.4	100.4	170.3	0	0	0	0	0	109.6
147	Q	25.2	Very low	24.2	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	83%	0.832	S	S	*	*			trans	-59	127.3	173.7	-100.9	125.8	-26.3	0	0	111.5
148	F	25.2	Very low	24.2	Very low	215 Å²	215	141.8 Å²	141.8	94%	0.943	84%	0.835	S	S	*	*			trans	-146.6	136.1	151.1	-134.4	-96.9	0	0	0	111.1
149	Q	23.5	Very low	24.2	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	83%	0.832	S	S	*	*			trans	-91.8	155.9	-176.8	-69.8	169.6	-16	0	0	111.1
150	G	23.6	Very low	24.4	Very low	83 Å²	83	144.9 Å²	144.9	86%	0.856	84%	0.843	S	S	*	*			trans	95.4	124.6	172.2	0	0	0	0	0	111.4
151	G	21.2	Very low	24.5	Very low	75 Å²	75	145.9 Å²	145.9	77%	0.773	84%	0.842	S	S	*	*			cis	124.6	120.9	31.9	0	0	0	0	0	107
152	H	25.2	Very low	24.6	Very low	198 Å²	198	151.7 Å²	151.7	92%	0.917	85%	0.845	S	S	*	*			trans	73.9	120.7	168.6	-92.5	-97.9	0	0	0	119.6
153	G	21.6	Very low	24.6	Very low	70 Å²	70	151.8 Å²	151.8	72%	0.722	84%	0.836	S	S	*	*			trans	-59.2	142.7	177.7	0	0	0	0	0	114.2
154	S	26.1	Very low	25.2	Very low	120 Å²	120	146.1 Å²	146.1	84%	0.839	82%	0.816	S	S	*	*			trans	-158.4	98.6	153.5	-74.3	0	0	0	0	106.5
155	Q	23.7	Very low	25.5	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	81%	0.808	S	S	*	*			trans	25.5	105.9	148.3	-157	166.5	4.3	0	0	117.1	L157	Q155-L157 PolarHBondContact O-N 3.42Å; Q155-L157 VanDerWaalsContact O-N 3.11Å
156	E	22.7	Very low	26	Very low	167 Å²	167	148.6 Å²	148.6	78%	0.78	80%	0.799	S	S	*	*			trans	-39.4	105.6	171.4	-70.5	168	135.6	0	0	113.7	L158	E156-L158 HydrophobicContact CB-CD1 4.16Å; E156-L158 HydrophobicContact CB-CG 4.1Å; E156-L158 HydrophobicContact CG-CD1 4.22Å; E156-L158 HydrophobicContact CG-CG 4.48Å; E156-L158 PolarHBondContact O-N 3.12Å
157	L	25.2	Very low	26.1	Very low	162 Å²	162	151.9 Å²	151.9	85%	0.848	79%	0.792	S	S	*	*			trans	-83.6	69.9	155.4	-84.9	167.1	0	0	0	108.6	Q155 T159	Q155-L157 PolarHBondContact O-N 3.42Å; Q155-L157 VanDerWaalsContact O-N 3.11Å; L157-T159 VanDerWaalsContact C-N 3.29Å; L157-T159 PolarHBondContact O-N 3.05Å; L157-T159 VanDerWaalsContact O-N 3.12Å
158	L	23.7	Very low	26.4	Very low	142 Å²	142	148 Å²	148	74%	0.743	77%	0.774	S	S	*	*			trans	-84.1	74.6	172.1	-76.5	170.7	0	0	0	109.8	E156	E156-L158 HydrophobicContact CB-CD1 4.16Å; E156-L158 HydrophobicContact CB-CG 4.1Å; E156-L158 HydrophobicContact CG-CD1 4.22Å; E156-L158 HydrophobicContact CG-CG 4.48Å; E156-L158 PolarHBondContact O-N 3.12Å
159	T	25.7	Very low	26.6	Very low	122 Å²	122	144.4 Å²	144.4	75%	0.748	76%	0.76	S	S	*	*			trans	-124.2	125.1	166.2	-20.1	0	0	0	0	108	L157	L157-T159 VanDerWaalsContact C-N 3.29Å; L157-T159 PolarHBondContact O-N 3.05Å; L157-T159 VanDerWaalsContact O-N 3.12Å
160	R	26.1	Very low	27.1	Very low	241 Å²	241	139.1 Å²	139.1	91%	0.909	74%	0.74	S	S	*	*			trans	99	54.6	158	-152.5	-178.5	-171.9	144.9	1.9	117.8
161	E	26.3	Very low	27.4	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.883	73%	0.732	S	S	*	*			trans	-107.1	99.8	157.5	-68.9	-167.4	162.8	0	0	111.8
162	Y	30.6	Very low	27.8	Very low	219 Å²	219	145.7 Å²	145.7	86%	0.859	72%	0.724	S	S	*	*			trans	54.4	62.8	141.3	-110.4	-95.2	0	0	0	119.6
163	M	24.9	Very low	28.4	Very low	128 Å²	128	139.3 Å²	139.3	63%	0.631	70%	0.699	S	S	*	*			trans	-80.9	123.9	149	-83	-71	131.2	0	0	109	T165 Q168	M163-T165 PolarHBondContact O-N 2.84Å; M163-Q168 HydrophobicContact CB-CG 4.33Å
164	P	34.2	Very low	28.9	Very low	79 Å²	79	140.2 Å²	140.2	51%	0.513	69%	0.687	S	S	.	*			trans	-52	124.1	-179.4	-27	34.1	0	0	0	110.9	F166 F167	P164-F166 PolarHBondContact O-N 3.01Å; P164-F167 PolarHBondContact O-N 2.74Å
165	T	32.9	Very low	29.2	Very low	117 Å²	117	140 Å²	140	72%	0.718	67%	0.673	S	S	*	*	H	α-helix	trans	-48.3	-24.4	-171	49	0	0	0	0	114.4	M163 Q169	M163-T165 PolarHBondContact O-N 2.84Å; T165-Q169 WeakPolarHBondContact O-CB 3.3Å; T165-Q169 PolarHBondContact O-N 2.88Å; T165-Q169 VanDerWaalsContact O-N 3.1Å
166	F	32.8	Very low	29.5	Very low	148 Å²	148	136.5 Å²	136.5	65%	0.649	66%	0.656	S	S	*	*	H	α-helix	trans	-63.1	-41	177.4	-165.8	-101.1	0	0	0	114.1	P164 T170	P164-F166 PolarHBondContact O-N 3.01Å; F166-T170 PolarHBondContact O-N 2.9Å; F166-T170 PolarHBondContact O-OG1 2.99Å
167	F	28.2	Very low	30.2	Very low	147 Å²	147	131.2 Å²	131.2	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-79.1	-39.2	-177.3	-84.6	-75.4	0	0	0	112.5	P164 Q169 T170 F171	P164-F167 PolarHBondContact O-N 2.74Å; F167-Q169 VanDerWaalsContact C-N 3.29Å; F167-Q169 PolarHBondContact O-N 3.2Å; F167-T170 PolarHBondContact O-N 3.08Å; F167-T170 PolarHBondContact O-OG1 3.37Å; F167-F171 WeakPolarHBondContact O-CB 3.45Å; F167-F171 PolarHBondContact O-N 3.25Å
168	Q	30.6	Very low	30.7	Very low	112 Å²	112	129.6 Å²	129.6	52%	0.523	62%	0.624	S	S	.	*	H	α-helix	trans	-62.2	-39.7	173.9	-80.5	-175.6	-12.1	0	0	111.2	M163 T170 F171 F172	M163-Q168 HydrophobicContact CB-CG 4.33Å; Q168-T170 VanDerWaalsContact C-N 3.34Å; Q168-T170 PolarHBondContact O-N 2.76Å; Q168-F171 PolarHBondContact O-N 2.91Å; Q168-F172 WeakPolarHBondContact O-CB 3.29Å; Q168-F172 PolarHBondContact O-N 3.1Å
169	Q	30.4	Very low	31.2	Very low	139 Å²	139	128.1 Å²	128.1	65%	0.65	62%	0.617	S	S	*	*	H	α-helix	trans	-61	-46.8	176.9	-157.7	157.4	28.8	0	0	110.1	T165 F167 F171 T173	T165-Q169 WeakPolarHBondContact O-CB 3.3Å; T165-Q169 PolarHBondContact O-N 2.88Å; T165-Q169 VanDerWaalsContact O-N 3.1Å; F167-Q169 VanDerWaalsContact C-N 3.29Å; F167-Q169 PolarHBondContact O-N 3.2Å; Q169-F171 PolarHBondContact O-N 3.32Å; Q169-T173 VanDerWaalsContact O-CB 3.25Å; Q169-T173 WeakPolarHBondContact O-CB 3.34Å; Q169-T173 PolarHBondContact O-N 2.93Å; Q169-T173 PolarHBondContact O-OG1 3.24Å
170	T	32.7	Very low	31.8	Very low	73 Å²	73	127.2 Å²	127.2	45%	0.448	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-36	176.5	55.2	0	0	0	0	114.5	F166 F167 Q168 L174	F166-T170 PolarHBondContact O-N 2.9Å; F166-T170 PolarHBondContact O-OG1 2.99Å; F167-T170 PolarHBondContact O-N 3.08Å; F167-T170 PolarHBondContact O-OG1 3.37Å; Q168-T170 VanDerWaalsContact C-N 3.34Å; Q168-T170 PolarHBondContact O-N 2.76Å; T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 PolarHBondContact O-N 3.45Å
171	F	29.9	Very low	32.4	Very low	156 Å²	156	123.9 Å²	123.9	68%	0.684	61%	0.608	S	S	*	*	H	α-helix	trans	-73.2	-43.4	-178.6	-167.5	-94.4	0	0	0	112	F167 Q168 Q169 L174 H175	F167-F171 WeakPolarHBondContact O-CB 3.45Å; F167-F171 PolarHBondContact O-N 3.25Å; Q168-F171 PolarHBondContact O-N 2.91Å; Q169-F171 PolarHBondContact O-N 3.32Å; F171-L174 PolarHBondContact O-N 3.19Å; F171-H175 PolarHBondContact O-N 3.26Å; F171-H175 VanDerWaalsContact O-N 3.16Å
172	F	31	Very low	33.6	Very low	140 Å²	140	121.8 Å²	121.8	61%	0.614	60%	0.598	S	S	*	*	H	α-helix	trans	-67.2	-38.2	173.3	-111.7	-88.2	0	0	0	111.5	Q168 L174 H175 Q176	Q168-F172 WeakPolarHBondContact O-CB 3.29Å; Q168-F172 PolarHBondContact O-N 3.1Å; F172-L174 VanDerWaalsContact C-N 3.34Å; F172-L174 PolarHBondContact O-N 2.75Å; F172-H175 PolarHBondContact O-N 3.37Å; F172-Q176 HydrophobicContact CD1-CG 4.43Å; F172-Q176 VanDerWaalsContact O-CB 3.32Å; F172-Q176 WeakPolarHBondContact O-CB 3.08Å; F172-Q176 WeakPolarHBondContact O-CG 3.41Å; F172-Q176 PolarHBondContact O-N 3.49Å
173	T	36.5	Very low	34.6	Very low	64 Å²	64	120.1 Å²	120.1	39%	0.393	60%	0.595	S	S	.	*	H	α-helix	trans	-66.2	-38.9	176.7	-42.3	0	0	0	0	110.5	Q169 H175 Q176 I177	Q169-T173 VanDerWaalsContact O-CB 3.25Å; Q169-T173 WeakPolarHBondContact O-CB 3.34Å; Q169-T173 PolarHBondContact O-N 2.93Å; Q169-T173 PolarHBondContact O-OG1 3.24Å; T173-H175 PolarHBondContact O-N 3.25Å; T173-Q176 PolarHBondContact O-N 3.25Å; T173-I177 HydrophobicContact CG2-CD1 3.68Å; T173-I177 HydrophobicContact CG2-CG1 4.21Å; T173-I177 WeakPolarHBondContact O-CB 3.26Å; T173-I177 WeakPolarHBondContact O-CD1 3.48Å; T173-I177 WeakPolarHBondContact O-CG1 3.4Å; T173-I177 PolarHBondContact O-N 3.2Å
174	L	32.8	Very low	36.8	Very low	89 Å²	89	118 Å²	118	47%	0.466	59%	0.591	S	S	.	*	H	α-helix	trans	-66.8	-39.4	179.2	-167	68.7	0	0	0	112.5	T170 F171 F172 I177 I178	T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 PolarHBondContact O-N 3.45Å; F171-L174 PolarHBondContact O-N 3.19Å; F172-L174 VanDerWaalsContact C-N 3.34Å; F172-L174 PolarHBondContact O-N 2.75Å; L174-I177 PolarHBondContact O-N 3.05Å; L174-I178 PolarHBondContact O-N 3.34Å
175	H	32.2	Very low	38.4	Very low	115 Å²	115	118.1 Å²	118.1	53%	0.532	58%	0.582	S	S	.	*	H	α-helix	trans	-75.5	-33.8	176.8	-166.2	-89.5	0	0	0	112.8	F171 F172 T173 I177	F171-H175 PolarHBondContact O-N 3.26Å; F171-H175 VanDerWaalsContact O-N 3.16Å; F172-H175 PolarHBondContact O-N 3.37Å; T173-H175 PolarHBondContact O-N 3.25Å; H175-I177 VanDerWaalsContact C-N 3.3Å; H175-I177 PolarHBondContact O-N 3.4Å
176	Q	30.1	Very low	40.1	Very low	117 Å²	117	117.4 Å²	117.4	55%	0.547	57%	0.57	S	S	.	*	H	α-helix	trans	-71	-24.9	173.2	-77	-172.5	-19.3	0	0	112.8	F172 T173 N179 N180	F172-Q176 HydrophobicContact CD1-CG 4.43Å; F172-Q176 VanDerWaalsContact O-CB 3.32Å; F172-Q176 WeakPolarHBondContact O-CB 3.08Å; F172-Q176 WeakPolarHBondContact O-CG 3.41Å; F172-Q176 PolarHBondContact O-N 3.49Å; T173-Q176 PolarHBondContact O-N 3.25Å; Q176-N179 PolarHBondContact O-N 2.97Å; Q176-N180 PolarHBondContact O-N 2.93Å; Q176-N180 PolarHBondContact O-ND2 2.78Å
177	I	37	Very low	41.8	Very low	56 Å²	56	110.6 Å²	110.6	29%	0.287	54%	0.54	S	S	.	.	H	α-helix	trans	-75.7	-33.5	175.6	-70.5	164.6	0	0	0	111.9	T173 L174 H175 N179 N180 T195	T173-I177 HydrophobicContact CG2-CD1 3.68Å; T173-I177 HydrophobicContact CG2-CG1 4.21Å; T173-I177 WeakPolarHBondContact O-CB 3.26Å; T173-I177 WeakPolarHBondContact O-CD1 3.48Å; T173-I177 WeakPolarHBondContact O-CG1 3.4Å; T173-I177 PolarHBondContact O-N 3.2Å; L174-I177 PolarHBondContact O-N 3.05Å; H175-I177 VanDerWaalsContact C-N 3.3Å; H175-I177 PolarHBondContact O-N 3.4Å; I177-N179 PolarHBondContact O-N 3.09Å; I177-N180 PolarHBondContact O-N 3.14Å; I177-T195 HydrophobicContact CG2-CG2 4.37Å
178	I	36.7	Very low	43.9	Very low	129 Å²	129	113.2 Å²	113.2	66%	0.662	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-25.9	175.2	-63.9	170.3	0	0	0	111.1	L174	L174-I178 PolarHBondContact O-N 3.34Å
179	N	34	Very low	45.6	Very low	111 Å²	111	114.9 Å²	114.9	59%	0.594	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	7.4	-180	-66.1	-35.9	0	0	0	114.6	Q176 I177	Q176-N179 PolarHBondContact O-N 2.97Å; I177-N179 PolarHBondContact O-N 3.09Å
180	N	37.2	Very low	47.5	Very low	102 Å²	102	110.6 Å²	110.6	55%	0.545	54%	0.542	S	S	.	.	S	Bend	trans	-98.6	119.2	163.5	-82.2	-77.4	0	0	0	106.9	Q176 I177 E182	Q176-N180 PolarHBondContact O-N 2.93Å; Q176-N180 PolarHBondContact O-ND2 2.78Å; I177-N180 PolarHBondContact O-N 3.14Å; N180-E182 PolarHBondContact O-N 2.85Å
181	D	39.9	Very low	49.2	Very low	172 Å²	172	114.8 Å²	114.8	92%	0.92	55%	0.554	S	S	*	*			trans	-60.8	24.9	178.1	-64.5	-76.2	0	0	0	114.6	K183	D181-K183 PolarHBondContact O-N 3.06Å
182	E	51.3	Low	50.9	Low	145 Å²	145	110.3 Å²	110.3	68%	0.678	53%	0.534	S	S	*	.			trans	-73.4	106.9	170	-68.9	-163.7	164.4	0	0	109.8	N180 P184	N180-E182 PolarHBondContact O-N 2.85Å; E182-P184 WeakPolarHBondContact O-CD 3.49Å
183	K	51.5	Low	52.8	Low	183 Å²	183	107.7 Å²	107.7	80%	0.796	53%	0.53	S	S	*	.			trans	-43.4	119.3	175.1	-170.2	173.5	-175.9	172.8	0	111.3	D181	D181-K183 PolarHBondContact O-N 3.06Å
184	P	70.2	Confident	54.1	Low	83 Å²	83	106.2 Å²	106.2	54%	0.539	52%	0.518	S	S	.	.			trans	-58	140.8	179.2	-22.8	31.2	0	0	0	112.2	E182 E186 V193	E182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-E186 PolarHBondContact O-N 3.35Å; P184-V193 HydrophobicContact CB-CG1 3.24Å; P184-V193 HydrophobicContact CG-CG1 4.34Å
185	Y	68.1	Low	55.8	Low	83 Å²	83	105.2 Å²	105.2	33%	0.325	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	103.6	-179.1	-63.9	-92	0	0	0	109.8	V193 F194 N197 F200	Y185-V193 CarbonylContact O-C 3.53Å; Y185-V193 WeakPolarHBondContact O-CA 3.48Å; Y185-F194 PolarHBondContact N-O 3.34Å; Y185-F194 WeakPolarHBondContact O-CD2 3.49Å; Y185-F194 PolarHBondContact O-N 3.29Å; Y185-N197 HydrophobicContact CD1-CB 4.22Å; Y185-N197 HydrophobicContact CD2-CB 4.37Å; Y185-N197 HydrophobicContact CE1-CB 3.75Å; Y185-N197 WeakPolarHBondContact CE1-OD1 3.43Å; Y185-N197 HydrophobicContact CE2-CB 3.94Å; Y185-F200 HydrophobicContact CD1-CD1 4.21Å; Y185-F200 HydrophobicContact CG-CB 4.3Å; Y185-F200 HydrophobicContact CG-CG 4.45Å
186	E	68.3	Low	57.4	Low	102 Å²	102	104.1 Å²	104.1	48%	0.477	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.6	-179.3	-170	-175.3	162.9	0	0	112.8	P184 K188 K192 V193 F200	P184-E186 PolarHBondContact O-N 3.35Å; E186-K188 PolarHBondContact O-N 3.02Å; E186-K192 CarbonylContact C-O 3.25Å; E186-K192 WeakPolarHBondContact CA-O 3.43Å; E186-V193 HydrophobicContact CB-CG2 4.2Å; E186-V193 HydrophobicContact CG-CG2 3.96Å; E186-F200 WeakPolarHBondContact O-CE2 3.39Å
187	C	69.7	Low	59.2	Low	4 Å²	4	102 Å²	102	3%	0.027	50%	0.503	C	S	.	.			trans	-75.1	109.9	171.4	-177.6	0	0	0	0	111.5	K189 C190 K191 K192 F194 F200 H203 H207	C187-K189 PolarHBondContact O-N 3.34Å; C187-K189 VanDerWaalsContact O-N 3.08Å; C187-C190 PolarHBondContact O-N 3.4Å; C187-C190 VanDerWaalsContact SG-SG 3.7Å; C187-K191 WeakPolarHBondContact O-CA 3.44Å; C187-K191 PolarHBondContact O-N 2.87Å; C187-K192 HydrophobicContact CB-CB 4.42Å; C187-K192 PolarHBondContact N-O 2.9Å; C187-F194 HydrophobicContact CB-CE2 4.39Å; C187-F200 HydrophobicContact CB-CE2 4.09Å; C187-H203 WeakPolarHBondContact CB-NE2 3.39Å; C187-H203 PolarHBondContact SG-NE2 3.36Å; C187-H207 VanDerWaalsContact SG-CD2 3.52Å; C187-H207 PolarHBondContact SG-NE2 3.13Å
188	K	72.7	Confident	60.8	Low	202 Å²	202	102.9 Å²	102.9	88%	0.878	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.7	176	-61.9	-175.4	179.4	-178.8	0	114.3	E186	E186-K188 PolarHBondContact O-N 3.02Å
189	K	64.4	Low	62.3	Low	147 Å²	147	100.5 Å²	100.5	64%	0.639	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-36.5	-177.5	-74.5	-179.5	174.4	-174.6	0	113.8	C187 H207	C187-K189 PolarHBondContact O-N 3.34Å; C187-K189 VanDerWaalsContact O-N 3.08Å; K189-H207 HydrophobicContact CD-CB 3.62Å; K189-H207 PolarHBondContact NZ-O 2.65Å
190	C	70.5	Confident	64	Low	49 Å²	49	96.4 Å²	96.4	33%	0.331	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	9	-176.6	70.4	0	0	0	0	114.6	C187 K192 H203 H207	C187-C190 PolarHBondContact O-N 3.4Å; C187-C190 VanDerWaalsContact SG-SG 3.7Å; C190-K192 PolarHBondContact O-N 2.94Å; C190-K192 VanDerWaalsContact SG-CG 3.51Å; C190-H203 PolarHBondContact SG-CE1 3.11Å; C190-H203 PolarHBondContact SG-NE2 3.13Å; C190-H207 PolarHBondContact SG-NE2 3.01Å; C190-H207 VanDerWaalsContact SG-NE2 3.41Å
191	K	68.8	Low	65.6	Low	161 Å²	161	94.4 Å²	94.4	70%	0.7	47%	0.466	S	S	*	.			trans	53.5	22.8	-179.3	-57.7	-173.8	177	-176.9	0	114.9	C187	C187-K191 WeakPolarHBondContact O-CA 3.44Å; C187-K191 PolarHBondContact O-N 2.87Å
192	K	66.8	Low	67	Low	62 Å²	62	90 Å²	90	27%	0.27	44%	0.44	S	S	.	.			trans	-75.4	130.1	175.7	-76.6	-175.1	-174.6	-155.6	0	109.6	E119 E186 C187 C190 F194	E119-K192 WeakPolarHBondContact OE1-CE 3.45Å; E119-K192 IonicContact OE1-NZ 2.55Å; E119-K192 PolarHBondContact OE1-NZ 3.2Å; E186-K192 CarbonylContact C-O 3.25Å; E186-K192 WeakPolarHBondContact CA-O 3.43Å; C187-K192 HydrophobicContact CB-CB 4.42Å; C187-K192 PolarHBondContact N-O 2.9Å; C190-K192 PolarHBondContact O-N 2.94Å; C190-K192 VanDerWaalsContact SG-CG 3.51Å; K192-F194 HydrophobicContact CB-CD2 4.49Å; K192-F194 HydrophobicContact CB-CE2 3.54Å; K192-F194 HydrophobicContact CB-CZ 3.74Å; K192-F194 HydrophobicContact CD-CZ 4.24Å; K192-F194 WeakPolarHBondContact O-CE2 3.4Å
193	V	70.7	Confident	67.8	Low	86 Å²	86	84 Å²	84	52%	0.521	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.1	178.8	-178.8	0	0	0	0	109.3	P184 Y185 E186	P184-V193 HydrophobicContact CB-CG1 3.24Å; P184-V193 HydrophobicContact CG-CG1 4.34Å; Y185-V193 CarbonylContact O-C 3.53Å; Y185-V193 WeakPolarHBondContact O-CA 3.48Å; E186-V193 HydrophobicContact CB-CG2 4.2Å; E186-V193 HydrophobicContact CG-CG2 3.96Å
194	F	64.2	Low	68.5	Low	32 Å²	32	78.4 Å²	78.4	14%	0.14	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.3	179.3	-59.3	-90.6	0	0	0	109.7	Y185 C187 K192 Q199 F200 H203	Y185-F194 PolarHBondContact N-O 3.34Å; Y185-F194 WeakPolarHBondContact O-CD2 3.49Å; Y185-F194 PolarHBondContact O-N 3.29Å; C187-F194 HydrophobicContact CB-CE2 4.39Å; K192-F194 HydrophobicContact CB-CD2 4.49Å; K192-F194 HydrophobicContact CB-CE2 3.54Å; K192-F194 HydrophobicContact CB-CZ 3.74Å; K192-F194 HydrophobicContact CD-CZ 4.24Å; K192-F194 WeakPolarHBondContact O-CE2 3.4Å; F194-Q199 HydrophobicContact CB-CB 4.41Å; F194-Q199 HydrophobicContact CD1-CB 3.83Å; F194-Q199 HydrophobicContact CG-CB 4.45Å; F194-F200 HydrophobicContact CB-CB 3.97Å; F194-F200 HydrophobicContact CD2-CB 4.04Å; F194-F200 AromaticContact CD2-CD2 3.74Å; F194-F200 HydrophobicContact CD2-CD2 3.74Å; F194-F200 HydrophobicContact CD2-CG 4.4Å; F194-F200 HydrophobicContact CE2-CD2 4.22Å; F194-F200 HydrophobicContact CG-CB 4.09Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.86Å; F194-H203 AromaticContact CE2-CD2 3.3Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F194-H203 AromaticContact CE2-CG 3.57Å; F194-H203 HydrophobicContact CZ-CB 3.33Å; F194-H203 AromaticContact CZ-CD2 3.4Å; F194-H203 VanDerWaalsContact CZ-CD2 3.4Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.44Å; F194-H203 AromaticContact CZ-CG 3.14Å; F194-H203 AromaticContact CZ-ND1 3.69Å
195	T	67.5	Low	68.4	Low	69 Å²	69	77.8 Å²	77.8	42%	0.423	38%	0.375	S	S	.	.	S	Bend	trans	-82.4	-25.3	177.8	53.3	0	0	0	0	112.3	I177	I177-T195 HydrophobicContact CG2-CG2 4.37Å
196	Q	65.3	Low	68	Low	92 Å²	92	79.2 Å²	79.2	43%	0.43	39%	0.388	S	S	.	.	S	Bend	trans	-118.1	136	178	-63.9	-178.9	2.9	0	0	110.8	S198 Q199 F200	Q196-S198 PolarHBondContact O-N 3.14Å; Q196-S198 PolarHBondContact OE1-OG 3.28Å; Q196-Q199 HydrophobicContact CB-CB 4.5Å; Q196-Q199 HydrophobicContact CB-CG 4.07Å; Q196-Q199 PolarHBondContact O-N 2.83Å; Q196-F200 PolarHBondContact O-N 3.1Å; Q196-F200 VanDerWaalsContact O-N 3.14Å
197	N	69.3	Low	67.7	Low	71 Å²	71	77.2 Å²	77.2	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-37.7	174.9	-173.2	46.5	0	0	0	112.1	Y185 Q199 F200 I201	Y185-N197 HydrophobicContact CD1-CB 4.22Å; Y185-N197 HydrophobicContact CD2-CB 4.37Å; Y185-N197 HydrophobicContact CE1-CB 3.75Å; Y185-N197 WeakPolarHBondContact CE1-OD1 3.43Å; Y185-N197 HydrophobicContact CE2-CB 3.94Å; N197-Q199 VanDerWaalsContact C-N 3.3Å; N197-Q199 PolarHBondContact O-N 2.96Å; N197-F200 WeakPolarHBondContact O-CB 3.3Å; N197-F200 PolarHBondContact O-N 3.47Å; N197-F200 VanDerWaalsContact O-N 3.14Å; N197-I201 VanDerWaalsContact O-CG1 3.31Å; N197-I201 WeakPolarHBondContact O-CG1 3.48Å; N197-I201 PolarHBondContact O-N 3.39Å
198	S	70.7	Confident	67.2	Low	76 Å²	76	82.1 Å²	82.1	53%	0.531	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-41.1	178.4	58.5	0	0	0	0	112.7	Q196 Q202	Q196-S198 PolarHBondContact O-N 3.14Å; Q196-S198 PolarHBondContact OE1-OG 3.28Å; S198-Q202 WeakPolarHBondContact O-CB 3.45Å; S198-Q202 PolarHBondContact O-N 3.25Å
199	Q	67.5	Low	66.4	Low	78 Å²	78	74.9 Å²	74.9	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-69.7	-41.1	176.4	-61.9	175.3	5.4	0	0	111.1	F194 Q196 N197 Q202 H203	F194-Q199 HydrophobicContact CB-CB 4.41Å; F194-Q199 HydrophobicContact CD1-CB 3.83Å; F194-Q199 HydrophobicContact CG-CB 4.45Å; Q196-Q199 HydrophobicContact CB-CB 4.5Å; Q196-Q199 HydrophobicContact CB-CG 4.07Å; Q196-Q199 PolarHBondContact O-N 2.83Å; N197-Q199 VanDerWaalsContact C-N 3.3Å; N197-Q199 PolarHBondContact O-N 2.96Å; Q199-Q202 PolarHBondContact O-N 2.89Å; Q199-H203 VanDerWaalsContact O-CB 3.29Å; Q199-H203 WeakPolarHBondContact O-CB 3.45Å; Q199-H203 PolarHBondContact O-N 3.49Å
200	F	69.9	Low	66	Low	25 Å²	25	72.8 Å²	72.8	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-49.3	174.6	173.4	-112.4	0	0	0	112.2	Y185 E186 C187 F194 Q196 N197 Q202 H203 Q204	Y185-F200 HydrophobicContact CD1-CD1 4.21Å; Y185-F200 HydrophobicContact CG-CB 4.3Å; Y185-F200 HydrophobicContact CG-CG 4.45Å; E186-F200 WeakPolarHBondContact O-CE2 3.39Å; C187-F200 HydrophobicContact CB-CE2 4.09Å; F194-F200 HydrophobicContact CB-CB 3.97Å; F194-F200 HydrophobicContact CD2-CB 4.04Å; F194-F200 AromaticContact CD2-CD2 3.74Å; F194-F200 HydrophobicContact CD2-CD2 3.74Å; F194-F200 HydrophobicContact CD2-CG 4.4Å; F194-F200 HydrophobicContact CE2-CD2 4.22Å; F194-F200 HydrophobicContact CG-CB 4.09Å; Q196-F200 PolarHBondContact O-N 3.1Å; Q196-F200 VanDerWaalsContact O-N 3.14Å; N197-F200 WeakPolarHBondContact O-CB 3.3Å; N197-F200 PolarHBondContact O-N 3.47Å; N197-F200 VanDerWaalsContact O-N 3.14Å; F200-Q202 PolarHBondContact O-N 3.04Å; F200-H203 CarbonylContact O-C 3.58Å; F200-H203 WeakPolarHBondContact O-CB 3.27Å; F200-H203 PolarHBondContact O-N 3.11Å; F200-H203 VanDerWaalsContact O-N 3.16Å; F200-Q204 HydrophobicContact CD1-CG 4.46Å; F200-Q204 HydrophobicContact CD2-CG 4.35Å; F200-Q204 HydrophobicContact CE1-CG 4.09Å; F200-Q204 VanDerWaalsContact CE1-NE2 3.33Å; F200-Q204 HydrophobicContact CE2-CG 3.98Å; F200-Q204 HydrophobicContact CZ-CG 3.86Å; F200-Q204 WeakPolarHBondContact O-CG 3.23Å; F200-Q204 PolarHBondContact O-N 3.17Å
201	I	70.7	Confident	65.3	Low	61 Å²	61	77.1 Å²	77.1	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-45.1	176.8	-65	-57	0	0	0	110.4	N197 H203 Q204 R205	N197-I201 VanDerWaalsContact O-CG1 3.31Å; N197-I201 WeakPolarHBondContact O-CG1 3.48Å; N197-I201 PolarHBondContact O-N 3.39Å; I201-H203 VanDerWaalsContact C-N 3.27Å; I201-H203 PolarHBondContact O-N 3.07Å; I201-Q204 PolarHBondContact O-N 3.25Å; I201-R205 WeakPolarHBondContact O-CG 3.23Å; I201-R205 PolarHBondContact O-N 3.47Å; I201-R205 VanDerWaalsContact O-N 3.14Å
202	Q	68.5	Low	65.1	Low	80 Å²	80	71.8 Å²	71.8	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-39.9	175.3	-179.5	176.2	67.2	0	0	111.8	S198 Q199 F200 R205 C224	S198-Q202 WeakPolarHBondContact O-CB 3.45Å; S198-Q202 PolarHBondContact O-N 3.25Å; Q199-Q202 PolarHBondContact O-N 2.89Å; F200-Q202 PolarHBondContact O-N 3.04Å; Q202-R205 WeakPolarHBondContact O-CB 3.47Å; Q202-R205 PolarHBondContact O-N 3.32Å; Q202-C224 PolarHBondContact NE2-SG 3.41Å; Q202-C224 VanDerWaalsContact NE2-SG 3.37Å
203	H	67.9	Low	65.2	Low	18 Å²	18	73.2 Å²	73.2	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-67.1	-40	175.1	168.7	69.8	0	0	0	112.5	C187 C190 F194 Q199 F200 I201 R205 I206 H207	C187-H203 WeakPolarHBondContact CB-NE2 3.39Å; C187-H203 PolarHBondContact SG-NE2 3.36Å; C190-H203 PolarHBondContact SG-CE1 3.11Å; C190-H203 PolarHBondContact SG-NE2 3.13Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.86Å; F194-H203 AromaticContact CE2-CD2 3.3Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F194-H203 AromaticContact CE2-CG 3.57Å; F194-H203 HydrophobicContact CZ-CB 3.33Å; F194-H203 AromaticContact CZ-CD2 3.4Å; F194-H203 VanDerWaalsContact CZ-CD2 3.4Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.44Å; F194-H203 AromaticContact CZ-CG 3.14Å; F194-H203 AromaticContact CZ-ND1 3.69Å; Q199-H203 VanDerWaalsContact O-CB 3.29Å; Q199-H203 WeakPolarHBondContact O-CB 3.45Å; Q199-H203 PolarHBondContact O-N 3.49Å; F200-H203 CarbonylContact O-C 3.58Å; F200-H203 WeakPolarHBondContact O-CB 3.27Å; F200-H203 PolarHBondContact O-N 3.11Å; F200-H203 VanDerWaalsContact O-N 3.16Å; I201-H203 VanDerWaalsContact C-N 3.27Å; I201-H203 PolarHBondContact O-N 3.07Å; H203-R205 PolarHBondContact O-N 3.44Å; H203-I206 VanDerWaalsContact O-CB 3.24Å; H203-I206 WeakPolarHBondContact O-CB 3.27Å; H203-I206 WeakPolarHBondContact O-CG1 3.46Å; H203-I206 PolarHBondContact O-N 3.17Å; H203-H207 AromaticContact CD2-NE2 3.96Å; H203-H207 AromaticContact CE1-CD2 3.81Å; H203-H207 AromaticContact CE1-NE2 3.22Å; H203-H207 PolarHBondContact CE1-NE2 2.7Å; H203-H207 AromaticContact NE2-CD2 3.43Å; H203-H207 PolarHBondContact NE2-CD2 2.78Å; H203-H207 AromaticContact NE2-NE2 2.94Å; H203-H207 PolarHBondContact NE2-NE2 3.35Å
204	Q	66.1	Low	65.2	Low	65 Å²	65	74.2 Å²	74.2	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-34.5	176	-77.3	-171.6	-40.1	0	0	112.2	F200 I201 I206 H207 I208	F200-Q204 HydrophobicContact CD1-CG 4.46Å; F200-Q204 HydrophobicContact CD2-CG 4.35Å; F200-Q204 HydrophobicContact CE1-CG 4.09Å; F200-Q204 VanDerWaalsContact CE1-NE2 3.33Å; F200-Q204 HydrophobicContact CE2-CG 3.98Å; F200-Q204 HydrophobicContact CZ-CG 3.86Å; F200-Q204 WeakPolarHBondContact O-CG 3.23Å; F200-Q204 PolarHBondContact O-N 3.17Å; I201-Q204 PolarHBondContact O-N 3.25Å; Q204-I206 PolarHBondContact O-N 3.27Å; Q204-H207 WeakPolarHBondContact O-CB 3.39Å; Q204-H207 PolarHBondContact O-N 2.88Å; Q204-I208 HydrophobicContact CB-CD1 4.31Å; Q204-I208 WeakPolarHBondContact O-CG1 3.4Å; Q204-I208 PolarHBondContact O-N 3.28Å
205	R	67.9	Low	65.8	Low	70 Å²	70	72.7 Å²	72.7	26%	0.264	37%	0.371	S	S	.	.	H	α-helix	trans	-57.7	-30.4	174.1	-62.7	176.8	-151.1	-159.4	2.9	113	I201 Q202 H203 H207 G209 E210	I201-R205 WeakPolarHBondContact O-CG 3.23Å; I201-R205 PolarHBondContact O-N 3.47Å; I201-R205 VanDerWaalsContact O-N 3.14Å; Q202-R205 WeakPolarHBondContact O-CB 3.47Å; Q202-R205 PolarHBondContact O-N 3.32Å; H203-R205 PolarHBondContact O-N 3.44Å; R205-H207 VanDerWaalsContact C-N 3.31Å; R205-H207 PolarHBondContact O-N 2.81Å; R205-G209 PolarHBondContact O-N 2.76Å; R205-G209 VanDerWaalsContact O-N 3.13Å; R205-E210 PolarHBondContact O-N 3.19Å
206	I	61.1	Low	66.3	Low	113 Å²	113	79 Å²	79	58%	0.579	39%	0.392	S	S	*	.	H	α-helix	trans	-64.6	-38	174.9	-53.2	173.1	0	0	0	110.7	H203 Q204	H203-I206 VanDerWaalsContact O-CB 3.24Å; H203-I206 WeakPolarHBondContact O-CB 3.27Å; H203-I206 WeakPolarHBondContact O-CG1 3.46Å; H203-I206 PolarHBondContact O-N 3.17Å; Q204-I206 PolarHBondContact O-N 3.27Å
207	H	62	Low	67	Low	61 Å²	61	81.5 Å²	81.5	28%	0.282	40%	0.404	S	S	.	.	H	α-helix	trans	-82.3	-28.7	-179.9	-70.2	-67.5	0	0	0	114.4	C187 K189 C190 H203 Q204 R205	C187-H207 VanDerWaalsContact SG-CD2 3.52Å; C187-H207 PolarHBondContact SG-NE2 3.13Å; K189-H207 HydrophobicContact CD-CB 3.62Å; K189-H207 PolarHBondContact NZ-O 2.65Å; C190-H207 PolarHBondContact SG-NE2 3.01Å; C190-H207 VanDerWaalsContact SG-NE2 3.41Å; H203-H207 AromaticContact CD2-NE2 3.96Å; H203-H207 AromaticContact CE1-CD2 3.81Å; H203-H207 AromaticContact CE1-NE2 3.22Å; H203-H207 PolarHBondContact CE1-NE2 2.7Å; H203-H207 AromaticContact NE2-CD2 3.43Å; H203-H207 PolarHBondContact NE2-CD2 2.78Å; H203-H207 AromaticContact NE2-NE2 2.94Å; H203-H207 PolarHBondContact NE2-NE2 3.35Å; Q204-H207 WeakPolarHBondContact O-CB 3.39Å; Q204-H207 PolarHBondContact O-N 2.88Å; R205-H207 VanDerWaalsContact C-N 3.31Å; R205-H207 PolarHBondContact O-N 2.81Å
208	I	59.7	Low	67.5	Low	107 Å²	107	80.7 Å²	80.7	55%	0.549	40%	0.404	S	S	.	.	H	α-helix	trans	-77.3	-18.1	176.8	-61.3	163.3	0	0	0	109.3	Q204 E210	Q204-I208 HydrophobicContact CB-CD1 4.31Å; Q204-I208 WeakPolarHBondContact O-CG1 3.4Å; Q204-I208 PolarHBondContact O-N 3.28Å; I208-E210 HydrophobicContact CB-CB 4.13Å; I208-E210 HydrophobicContact CG2-CB 3.83Å; I208-E210 PolarHBondContact O-N 3.14Å
209	G	54.1	Low	67.6	Low	49 Å²	49	78.6 Å²	78.6	51%	0.505	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	18.5	-170.2	0	0	0	0	0	111.4	R205 K211	R205-G209 PolarHBondContact O-N 2.76Å; R205-G209 VanDerWaalsContact O-N 3.13Å; G209-K211 PolarHBondContact O-N 2.9Å
210	E	56	Low	67.9	Low	104 Å²	104	80.7 Å²	80.7	49%	0.486	40%	0.401	S	S	.	.			trans	-68.6	105.4	-175.1	-159.7	-179.2	172.8	0	0	108.9	R205 I208 S212	R205-E210 PolarHBondContact O-N 3.19Å; I208-E210 HydrophobicContact CB-CB 4.13Å; I208-E210 HydrophobicContact CG2-CB 3.83Å; I208-E210 PolarHBondContact O-N 3.14Å; E210-S212 PolarHBondContact O-N 2.81Å
211	K	56.7	Low	67.8	Low	140 Å²	140	83.3 Å²	83.3	61%	0.609	41%	0.413	S	S	*	.			trans	-75.8	56.7	-175	-79.4	176.1	-176.8	177	0	111.5	G209 Y213 F221	G209-K211 PolarHBondContact O-N 2.9Å; K211-Y213 VanDerWaalsContact C-N 3.31Å; K211-Y213 PolarHBondContact O-N 3.45Å; K211-F221 HydrophobicContact CB-CB 4.09Å; K211-F221 HydrophobicContact CB-CD1 3.43Å; K211-F221 VanDerWaalsContact CB-CD1 3.43Å; K211-F221 HydrophobicContact CB-CD2 4.49Å; K211-F221 HydrophobicContact CB-CE1 3.86Å; K211-F221 HydrophobicContact CB-CG 3.75Å; K211-F221 HydrophobicContact CD-CD1 4.03Å; K211-F221 HydrophobicContact CD-CD2 3.7Å; K211-F221 HydrophobicContact CD-CE1 4.05Å; K211-F221 HydrophobicContact CD-CE2 3.8Å; K211-F221 HydrophobicContact CD-CG 3.81Å; K211-F221 HydrophobicContact CD-CZ 3.97Å; K211-F221 HydrophobicContact CG-CB 3.9Å; K211-F221 HydrophobicContact CG-CD1 3.88Å; K211-F221 HydrophobicContact CG-CD2 4.05Å; K211-F221 HydrophobicContact CG-CE1 4.35Å; K211-F221 HydrophobicContact CG-CG 3.66Å
212	S	63.7	Low	67.8	Low	48 Å²	48	82.6 Å²	82.6	34%	0.336	41%	0.408	S	S	.	.			trans	-64.2	-28.6	-166	-49	0	0	0	0	115	E210	E210-S212 PolarHBondContact O-N 2.81Å
213	Y	68.8	Low	67.7	Low	92 Å²	92	80.8 Å²	80.8	36%	0.361	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	101.6	-176.8	-59.1	-82.2	0	0	0	111.8	K211 F221 F222 V228	K211-Y213 VanDerWaalsContact C-N 3.31Å; K211-Y213 PolarHBondContact O-N 3.45Å; Y213-F221 CarbonylContact O-C 3.29Å; Y213-F221 VanDerWaalsContact O-CA 3.32Å; Y213-F221 WeakPolarHBondContact O-CA 3.46Å; Y213-F222 WeakPolarHBondContact CB-O 3.3Å; Y213-F222 PolarHBondContact N-O 3.3Å; Y213-F222 PolarHBondContact O-N 3.22Å; Y213-V228 HydrophobicContact CD1-CG1 4.2Å; Y213-V228 HydrophobicContact CG-CG1 4.18Å
214	E	72.3	Confident	67.9	Low	107 Å²	107	81 Å²	81	50%	0.5	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.4	174.7	-167.3	175.8	171.9	0	0	111.8	K216 K220 F221	E214-K216 PolarHBondContact O-N 3.18Å; E214-K220 CarbonylContact C-O 3.56Å; E214-F221 HydrophobicContact CB-CD1 3.64Å; E214-F221 HydrophobicContact CB-CE1 3.44Å; E214-F221 VanDerWaalsContact CB-CE1 3.44Å; E214-F221 HydrophobicContact CB-CZ 4.28Å; E214-F221 HydrophobicContact CG-CD1 3.86Å; E214-F221 HydrophobicContact CG-CE1 3.42Å; E214-F221 VanDerWaalsContact CG-CE1 3.42Å; E214-F221 HydrophobicContact CG-CE2 4.47Å; E214-F221 HydrophobicContact CG-CZ 3.75Å; E214-F221 WeakPolarHBondContact OE2-CE1 3.46Å
215	C	76.8	Confident	68.2	Low	1 Å²	1	78.8 Å²	78.8	1%	0.007	40%	0.402	C	S	.	.			trans	-81.1	110.4	163.3	178.8	0	0	0	0	109.7	E217 C218 G219 K220 F222 V228 H231 H235	C215-E217 PolarHBondContact O-N 3.34Å; C215-E217 VanDerWaalsContact O-N 3.12Å; C215-C218 PolarHBondContact O-N 3.41Å; C215-C218 VanDerWaalsContact SG-SG 3.67Å; C215-G219 VanDerWaalsContact O-CA 3.31Å; C215-G219 WeakPolarHBondContact O-CA 3.43Å; C215-G219 PolarHBondContact O-N 3.36Å; C215-K220 PolarHBondContact N-O 3.22Å; C215-F222 HydrophobicContact CB-CE2 4.27Å; C215-V228 HydrophobicContact CB-CG2 4.36Å; C215-H231 PolarHBondContact SG-NE2 3.32Å; C215-H235 VanDerWaalsContact SG-CD2 3.6Å; C215-H235 PolarHBondContact SG-NE2 2.8Å; C215-H235 VanDerWaalsContact SG-NE2 3.45Å
216	K	77.9	Confident	68.7	Low	200 Å²	200	79 Å²	79	87%	0.87	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	-179.1	-63.8	-174.4	177.7	-177.1	0	114.5	E214	E214-K216 PolarHBondContact O-N 3.18Å
217	E	78.6	Confident	69.5	Low	145 Å²	145	77.2 Å²	77.2	68%	0.678	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-32.8	-178.6	-67.9	-68.3	148.9	0	0	113.5	C215 H235	C215-E217 PolarHBondContact O-N 3.34Å; C215-E217 VanDerWaalsContact O-N 3.12Å; E217-H235 HydrophobicContact CG-CB 4.42Å
218	C	79.9	Confident	70.2	Confident	55 Å²	55	75.1 Å²	75.1	37%	0.372	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	4.3	-176.6	68.2	0	0	0	0	115.3	C215 K220 H231 H235	C215-C218 PolarHBondContact O-N 3.41Å; C215-C218 VanDerWaalsContact SG-SG 3.67Å; C218-K220 PolarHBondContact O-N 2.98Å; C218-K220 VanDerWaalsContact O-N 3.16Å; C218-K220 VanDerWaalsContact SG-CG 3.53Å; C218-H231 PolarHBondContact SG-NE2 2.98Å; C218-H235 PolarHBondContact SG-NE2 2.75Å; C218-H235 VanDerWaalsContact SG-NE2 3.36Å
219	G	73.9	Confident	71.3	Confident	31 Å²	31	73.9 Å²	73.9	32%	0.32	39%	0.392	S	S	.	.			trans	65.2	12.5	-178.9	0	0	0	0	0	114.4	C215 F221	C215-G219 VanDerWaalsContact O-CA 3.31Å; C215-G219 WeakPolarHBondContact O-CA 3.43Å; C215-G219 PolarHBondContact O-N 3.36Å; G219-F221 VanDerWaalsContact O-CD2 3.24Å; G219-F221 WeakPolarHBondContact O-CD2 3.5Å; G219-F221 WeakPolarHBondContact O-CE2 3.42Å
220	K	73.9	Confident	72.6	Confident	122 Å²	122	75 Å²	75	53%	0.53	38%	0.381	S	S	.	.			trans	-76.2	135.2	179.3	-74.2	-178.5	-173.6	176.2	0	110.8	E214 C215 C218 F222	E214-K220 CarbonylContact C-O 3.56Å; C215-K220 PolarHBondContact N-O 3.22Å; C218-K220 PolarHBondContact O-N 2.98Å; C218-K220 VanDerWaalsContact O-N 3.16Å; C218-K220 VanDerWaalsContact SG-CG 3.53Å; K220-F222 HydrophobicContact CB-CE2 3.82Å; K220-F222 HydrophobicContact CB-CZ 4.04Å; K220-F222 WeakPolarHBondContact O-CE2 3.36Å
221	F	67.7	Low	73.8	Confident	81 Å²	81	70.8 Å²	70.8	36%	0.355	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.7	-179.8	-61.5	-83.4	0	0	0	112.3	K211 Y213 E214 G219	K211-F221 HydrophobicContact CB-CB 4.09Å; K211-F221 HydrophobicContact CB-CD1 3.43Å; K211-F221 VanDerWaalsContact CB-CD1 3.43Å; K211-F221 HydrophobicContact CB-CD2 4.49Å; K211-F221 HydrophobicContact CB-CE1 3.86Å; K211-F221 HydrophobicContact CB-CG 3.75Å; K211-F221 HydrophobicContact CD-CD1 4.03Å; K211-F221 HydrophobicContact CD-CD2 3.7Å; K211-F221 HydrophobicContact CD-CE1 4.05Å; K211-F221 HydrophobicContact CD-CE2 3.8Å; K211-F221 HydrophobicContact CD-CG 3.81Å; K211-F221 HydrophobicContact CD-CZ 3.97Å; K211-F221 HydrophobicContact CG-CB 3.9Å; K211-F221 HydrophobicContact CG-CD1 3.88Å; K211-F221 HydrophobicContact CG-CD2 4.05Å; K211-F221 HydrophobicContact CG-CE1 4.35Å; K211-F221 HydrophobicContact CG-CG 3.66Å; Y213-F221 CarbonylContact O-C 3.29Å; Y213-F221 VanDerWaalsContact O-CA 3.32Å; Y213-F221 WeakPolarHBondContact O-CA 3.46Å; E214-F221 HydrophobicContact CB-CD1 3.64Å; E214-F221 HydrophobicContact CB-CE1 3.44Å; E214-F221 VanDerWaalsContact CB-CE1 3.44Å; E214-F221 HydrophobicContact CB-CZ 4.28Å; E214-F221 HydrophobicContact CG-CD1 3.86Å; E214-F221 HydrophobicContact CG-CE1 3.42Å; E214-F221 VanDerWaalsContact CG-CE1 3.42Å; E214-F221 HydrophobicContact CG-CE2 4.47Å; E214-F221 HydrophobicContact CG-CZ 3.75Å; E214-F221 WeakPolarHBondContact OE2-CE1 3.46Å; G219-F221 VanDerWaalsContact O-CD2 3.24Å; G219-F221 WeakPolarHBondContact O-CD2 3.5Å; G219-F221 WeakPolarHBondContact O-CE2 3.42Å
222	F	69.6	Low	75	Confident	46 Å²	46	67.4 Å²	67.4	20%	0.202	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145	179.5	-59.1	-90.5	0	0	0	110.2	Y213 C215 K220 C224 H227 V228 H231	Y213-F222 WeakPolarHBondContact CB-O 3.3Å; Y213-F222 PolarHBondContact N-O 3.3Å; Y213-F222 PolarHBondContact O-N 3.22Å; C215-F222 HydrophobicContact CB-CE2 4.27Å; K220-F222 HydrophobicContact CB-CE2 3.82Å; K220-F222 HydrophobicContact CB-CZ 4.04Å; K220-F222 WeakPolarHBondContact O-CE2 3.36Å; F222-C224 VanDerWaalsContact C-N 3.27Å; F222-C224 PolarHBondContact O-N 3.01Å; F222-H227 HydrophobicContact CB-CB 4.26Å; F222-H227 HydrophobicContact CD1-CB 3.97Å; F222-H227 HydrophobicContact CG-CB 4.41Å; F222-V228 HydrophobicContact CB-CB 4.15Å; F222-V228 HydrophobicContact CD2-CB 3.68Å; F222-V228 HydrophobicContact CD2-CG2 3.75Å; F222-V228 HydrophobicContact CE2-CB 4.43Å; F222-V228 HydrophobicContact CE2-CG2 4.18Å; F222-V228 HydrophobicContact CG-CB 4.03Å; F222-H231 HydrophobicContact CE1-CB 3.82Å; F222-H231 AromaticContact CE1-CG 3.99Å; F222-H231 HydrophobicContact CE2-CB 3.88Å; F222-H231 AromaticContact CE2-CD2 3.31Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.36Å; F222-H231 AromaticContact CE2-CG 3.58Å; F222-H231 AromaticContact CE2-NE2 3.96Å; F222-H231 HydrophobicContact CZ-CB 3.39Å; F222-H231 AromaticContact CZ-CD2 3.35Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.23Å; F222-H231 AromaticContact CZ-CG 3.12Å; F222-H231 AromaticContact CZ-ND1 3.62Å; F222-H231 AromaticContact CZ-NE2 3.9Å
223	S	67.9	Low	76	Confident	42 Å²	42	67.7 Å²	67.7	29%	0.294	35%	0.345	S	S	.	.	S	Bend	trans	-77.9	-11.9	175.6	56.2	0	0	0	0	113.6
224	C	70.5	Confident	76.7	Confident	21 Å²	21	69.1 Å²	69.1	14%	0.142	36%	0.357	C	S	.	.	S	Bend	trans	-138.7	135.1	-172.7	-174.2	0	0	0	0	111.5	Q202 F222 S226 H227 V228	Q202-C224 PolarHBondContact NE2-SG 3.41Å; Q202-C224 VanDerWaalsContact NE2-SG 3.37Å; F222-C224 VanDerWaalsContact C-N 3.27Å; F222-C224 PolarHBondContact O-N 3.01Å; C224-S226 VanDerWaalsContact C-N 3.35Å; C224-S226 PolarHBondContact O-N 2.99Å; C224-S226 PolarHBondContact SG-OG 2.88Å; C224-H227 HydrophobicContact CB-CB 4.22Å; C224-H227 WeakPolarHBondContact O-CB 3.48Å; C224-H227 PolarHBondContact O-N 3.08Å; C224-H227 VanDerWaalsContact O-N 3.07Å; C224-V228 PolarHBondContact O-N 3.28Å
225	G	72.4	Confident	77.2	Confident	19 Å²	19	67.8 Å²	67.8	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-55.4	-45.6	177.2	0	0	0	0	0	112.9	H227 V228 T229	G225-H227 PolarHBondContact O-N 3.24Å; G225-V228 WeakPolarHBondContact O-CG1 3.32Å; G225-V228 PolarHBondContact O-N 3.47Å; G225-V228 VanDerWaalsContact O-N 3.17Å; G225-T229 PolarHBondContact O-N 3.13Å; G225-T229 PolarHBondContact O-OG1 2.83Å; G225-T229 VanDerWaalsContact O-OG1 3.07Å
226	S	78.8	Confident	77.5	Confident	76 Å²	76	71.9 Å²	71.9	53%	0.531	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-28.3	179	65.6	0	0	0	0	113	C224 R230	C224-S226 VanDerWaalsContact C-N 3.35Å; C224-S226 PolarHBondContact O-N 2.99Å; C224-S226 PolarHBondContact SG-OG 2.88Å; S226-R230 WeakPolarHBondContact O-CB 3.49Å; S226-R230 PolarHBondContact O-N 3.09Å
227	H	78.3	Confident	77.8	Confident	75 Å²	75	64.6 Å²	64.6	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-73.4	-40.9	175.6	-70.3	-178.3	0	0	0	112	F222 C224 G225 R230 H231	F222-H227 HydrophobicContact CB-CB 4.26Å; F222-H227 HydrophobicContact CD1-CB 3.97Å; F222-H227 HydrophobicContact CG-CB 4.41Å; C224-H227 HydrophobicContact CB-CB 4.22Å; C224-H227 WeakPolarHBondContact O-CB 3.48Å; C224-H227 PolarHBondContact O-N 3.08Å; C224-H227 VanDerWaalsContact O-N 3.07Å; G225-H227 PolarHBondContact O-N 3.24Å; H227-R230 PolarHBondContact CD2-NH2 3.23Å; H227-R230 PolarHBondContact NE2-NH2 3.49Å; H227-R230 PolarHBondContact O-N 2.8Å; H227-H231 VanDerWaalsContact O-CB 3.3Å; H227-H231 WeakPolarHBondContact O-CB 3.43Å; H227-H231 PolarHBondContact O-N 2.96Å
228	V	77.4	Confident	78	Confident	16 Å²	16	62.8 Å²	62.8	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-42	173.6	69.1	0	0	0	0	110.7	Y213 C215 F222 C224 G225 R230 H231 L232	Y213-V228 HydrophobicContact CD1-CG1 4.2Å; Y213-V228 HydrophobicContact CG-CG1 4.18Å; C215-V228 HydrophobicContact CB-CG2 4.36Å; F222-V228 HydrophobicContact CB-CB 4.15Å; F222-V228 HydrophobicContact CD2-CB 3.68Å; F222-V228 HydrophobicContact CD2-CG2 3.75Å; F222-V228 HydrophobicContact CE2-CB 4.43Å; F222-V228 HydrophobicContact CE2-CG2 4.18Å; F222-V228 HydrophobicContact CG-CB 4.03Å; C224-V228 PolarHBondContact O-N 3.28Å; G225-V228 WeakPolarHBondContact O-CG1 3.32Å; G225-V228 PolarHBondContact O-N 3.47Å; G225-V228 VanDerWaalsContact O-N 3.17Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 3.16Å; V228-H231 CarbonylContact O-C 3.59Å; V228-H231 WeakPolarHBondContact O-CA 3.4Å; V228-H231 WeakPolarHBondContact O-CB 3.48Å; V228-H231 PolarHBondContact O-N 3.24Å; V228-L232 HydrophobicContact CG2-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 3.07Å
229	T	82.1	Confident	78.4	Confident	82 Å²	82	66.1 Å²	66.1	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-43.8	175.7	-53.2	0	0	0	0	111.4	G225 H231 L232	G225-T229 PolarHBondContact O-N 3.13Å; G225-T229 PolarHBondContact O-OG1 2.83Å; G225-T229 VanDerWaalsContact O-OG1 3.07Å; T229-H231 VanDerWaalsContact C-N 3.31Å; T229-H231 PolarHBondContact O-N 2.73Å; T229-L232 PolarHBondContact O-N 3.25Å
230	R	82.2	Confident	78.9	Confident	72 Å²	72	68.5 Å²	68.5	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-35.5	174.4	-178.7	175.2	62.6	-151.2	-5.3	112.2	S226 H227 V228 K233 C252	S226-R230 WeakPolarHBondContact O-CB 3.49Å; S226-R230 PolarHBondContact O-N 3.09Å; H227-R230 PolarHBondContact CD2-NH2 3.23Å; H227-R230 PolarHBondContact NE2-NH2 3.49Å; H227-R230 PolarHBondContact O-N 2.8Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 3.16Å; R230-K233 WeakPolarHBondContact O-CB 3.44Å; R230-K233 PolarHBondContact O-N 3.22Å; R230-C252 HydrophobicContact CG-CB 4.48Å
231	H	81.1	Confident	79.5	Confident	15 Å²	15	66.1 Å²	66.1	7%	0.069	36%	0.357	C	S	.	.	H	α-helix	trans	-70.6	-37.5	177.6	169.3	68.6	0	0	0	112.7	C215 C218 F222 H227 V228 T229 K233 I234 H235	C215-H231 PolarHBondContact SG-NE2 3.32Å; C218-H231 PolarHBondContact SG-NE2 2.98Å; F222-H231 HydrophobicContact CE1-CB 3.82Å; F222-H231 AromaticContact CE1-CG 3.99Å; F222-H231 HydrophobicContact CE2-CB 3.88Å; F222-H231 AromaticContact CE2-CD2 3.31Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.36Å; F222-H231 AromaticContact CE2-CG 3.58Å; F222-H231 AromaticContact CE2-NE2 3.96Å; F222-H231 HydrophobicContact CZ-CB 3.39Å; F222-H231 AromaticContact CZ-CD2 3.35Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.23Å; F222-H231 AromaticContact CZ-CG 3.12Å; F222-H231 AromaticContact CZ-ND1 3.62Å; F222-H231 AromaticContact CZ-NE2 3.9Å; H227-H231 VanDerWaalsContact O-CB 3.3Å; H227-H231 WeakPolarHBondContact O-CB 3.43Å; H227-H231 PolarHBondContact O-N 2.96Å; V228-H231 CarbonylContact O-C 3.59Å; V228-H231 WeakPolarHBondContact O-CA 3.4Å; V228-H231 WeakPolarHBondContact O-CB 3.48Å; V228-H231 PolarHBondContact O-N 3.24Å; T229-H231 VanDerWaalsContact C-N 3.31Å; T229-H231 PolarHBondContact O-N 2.73Å; H231-K233 PolarHBondContact O-N 3.21Å; H231-K233 VanDerWaalsContact O-N 3.13Å; H231-I234 WeakPolarHBondContact O-CB 3.29Å; H231-I234 WeakPolarHBondContact O-CG1 3.41Å; H231-I234 PolarHBondContact O-N 3.43Å; H231-H235 AromaticContact CE1-NE2 3.74Å; H231-H235 AromaticContact NE2-CD2 3.91Å; H231-H235 AromaticContact NE2-NE2 3.37Å; H231-H235 PolarHBondContact NE2-NE2 3.37Å
232	L	81.3	Confident	80.5	Confident	70 Å²	70	68.2 Å²	68.2	37%	0.366	37%	0.368	S	S	.	.	H	α-helix	trans	-57	-28.7	175.7	-71.1	172.1	0	0	0	112.2	V228 T229 I234 H235 T236	V228-L232 HydrophobicContact CG2-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 3.07Å; T229-L232 PolarHBondContact O-N 3.25Å; L232-I234 PolarHBondContact O-N 3.1Å; L232-H235 WeakPolarHBondContact O-CB 3.46Å; L232-H235 PolarHBondContact O-N 3Å; L232-T236 PolarHBondContact O-N 3.16Å
233	K	85.4	Confident	81.6	Confident	53 Å²	53	66 Å²	66	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-18.4	172.4	-60.1	-176.8	179.9	-172.5	0	114.5	R230 H231 T236 G237 E238 S251	R230-K233 WeakPolarHBondContact O-CB 3.44Å; R230-K233 PolarHBondContact O-N 3.22Å; H231-K233 PolarHBondContact O-N 3.21Å; H231-K233 VanDerWaalsContact O-N 3.13Å; K233-T236 WeakPolarHBondContact CA-OG1 3.43Å; K233-G237 CarbonylContact O-C 3.6Å; K233-G237 WeakPolarHBondContact O-CA 3.33Å; K233-G237 PolarHBondContact O-N 2.96Å; K233-E238 HydrophobicContact CB-CB 4.49Å; K233-E238 HydrophobicContact CG-CB 4.48Å; K233-E238 PolarHBondContact O-N 2.89Å; K233-S251 WeakPolarHBondContact CD-O 3.45Å; K233-S251 PolarHBondContact NZ-O 3.38Å
234	I	81.8	Confident	82.6	Confident	122 Å²	122	73.7 Å²	73.7	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-71.8	-35.4	172	-56.7	179.4	0	0	0	110.1	H231 L232	H231-I234 WeakPolarHBondContact O-CB 3.29Å; H231-I234 WeakPolarHBondContact O-CG1 3.41Å; H231-I234 PolarHBondContact O-N 3.43Å; L232-I234 PolarHBondContact O-N 3.1Å
235	H	83.7	Confident	83.5	Confident	79 Å²	79	77.7 Å²	77.7	37%	0.366	41%	0.406	S	S	.	.	H	α-helix	trans	-76.7	-43.9	177.1	-66.3	-70.9	0	0	0	111.9	C215 E217 C218 H231 L232 G237	C215-H235 VanDerWaalsContact SG-CD2 3.6Å; C215-H235 PolarHBondContact SG-NE2 2.8Å; C215-H235 VanDerWaalsContact SG-NE2 3.45Å; E217-H235 HydrophobicContact CG-CB 4.42Å; C218-H235 PolarHBondContact SG-NE2 2.75Å; C218-H235 VanDerWaalsContact SG-NE2 3.36Å; H231-H235 AromaticContact CE1-NE2 3.74Å; H231-H235 AromaticContact NE2-CD2 3.91Å; H231-H235 AromaticContact NE2-NE2 3.37Å; H231-H235 PolarHBondContact NE2-NE2 3.37Å; L232-H235 WeakPolarHBondContact O-CB 3.46Å; L232-H235 PolarHBondContact O-N 3Å; H235-G237 PolarHBondContact O-N 2.96Å
236	T	84.1	Confident	84.4	Confident	88 Å²	88	79.4 Å²	79.4	54%	0.54	42%	0.415	S	S	.	.	H	α-helix	trans	-75.6	-15.9	177.9	63.6	0	0	0	0	113	L232 K233 E238	L232-T236 PolarHBondContact O-N 3.16Å; K233-T236 WeakPolarHBondContact CA-OG1 3.43Å; T236-E238 PolarHBondContact O-N 3.21Å; T236-E238 WeakPolarHBondContact OG1-CG 3.28Å; T236-E238 PolarHBondContact OG1-N 3.06Å
237	G	82.4	Confident	84.8	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	41%	0.409	S	S	.	.			trans	72.2	3.2	-174.8	0	0	0	0	0	114	K233 H235 K239	K233-G237 CarbonylContact O-C 3.6Å; K233-G237 WeakPolarHBondContact O-CA 3.33Å; K233-G237 PolarHBondContact O-N 2.96Å; H235-G237 PolarHBondContact O-N 2.96Å; G237-K239 PolarHBondContact O-N 3.12Å
238	E	83.5	Confident	85.4	Confident	108 Å²	108	80.3 Å²	80.3	51%	0.505	42%	0.42	S	S	.	.			trans	-62.9	123	-178.6	-76.4	-177	-171.5	0	0	112.1	K233 T236	K233-E238 HydrophobicContact CB-CB 4.49Å; K233-E238 HydrophobicContact CG-CB 4.48Å; K233-E238 PolarHBondContact O-N 2.89Å; T236-E238 PolarHBondContact O-N 3.21Å; T236-E238 WeakPolarHBondContact OG1-CG 3.28Å; T236-E238 PolarHBondContact OG1-N 3.06Å
239	K	87.9	Confident	86	Confident	124 Å²	124	81.1 Å²	81.1	54%	0.539	43%	0.428	S	S	.	.			trans	-132.6	76.5	178.7	-69.4	167.2	177.3	-174.5	0	109.9	G237 F241 A249 F250	G237-K239 PolarHBondContact O-N 3.12Å; K239-F241 PolarHBondContact O-N 2.7Å; K239-F241 VanDerWaalsContact O-N 3.12Å; K239-A249 HydrophobicContact CB-CB 3.43Å; K239-A249 VanDerWaalsContact CB-CB 3.43Å; K239-A249 HydrophobicContact CD-CB 4.17Å; K239-A249 WeakPolarHBondContact CD-O 3.46Å; K239-A249 HydrophobicContact CG-CB 4.4Å; K239-A249 WeakPolarHBondContact O-CB 3.34Å; K239-F250 CarbonylContact C-O 3.55Å; K239-F250 VanDerWaalsContact C-O 3.27Å; K239-F250 VanDerWaalsContact CA-O 3.29Å; K239-F250 WeakPolarHBondContact CA-O 3.46Å
240	P	84.5	Confident	86.2	Confident	81 Å²	81	79.2 Å²	79.2	53%	0.526	41%	0.413	S	S	.	.			trans	-65.9	-17.3	-173.5	-22	34.4	0	0	0	114.5
241	F	86.6	Confident	86.3	Confident	73 Å²	73	76.9 Å²	76.9	32%	0.32	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	96.1	-172.3	-59.4	-77.5	0	0	0	110.7	K239 A249 F250 S253 L256	K239-F241 PolarHBondContact O-N 2.7Å; K239-F241 VanDerWaalsContact O-N 3.12Å; F241-A249 CarbonylContact O-C 3.55Å; F241-A249 WeakPolarHBondContact O-CA 3.25Å; F241-F250 HydrophobicContact CB-CB 4.38Å; F241-F250 PolarHBondContact N-O 3.33Å; F241-F250 VanDerWaalsContact N-O 3.13Å; F241-F250 PolarHBondContact O-N 3.26Å; F241-S253 VanDerWaalsContact CD2-N 3.33Å; F241-L256 HydrophobicContact CB-CB 4.01Å; F241-L256 HydrophobicContact CB-CD2 3.81Å
242	E	89	Confident	86.3	Confident	125 Å²	125	77.4 Å²	77.4	58%	0.584	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	138	-179.6	-166.2	179.6	161.7	0	0	113	G247 A249	E242-G247 WeakPolarHBondContact OE1-CA 3.16Å; E242-A249 HydrophobicContact CB-CB 4.39Å; E242-A249 HydrophobicContact CG-CB 4.42Å
243	C	91.9	Very high	86.4	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.415	C	S	.	.			trans	-80.9	117.2	170.5	-179.3	0	0	0	0	110.4	D245 C246 G247 K248 F250 L256 H263	C243-D245 PolarHBondContact O-N 3Å; C243-C246 PolarHBondContact O-N 3.42Å; C243-G247 VanDerWaalsContact O-CA 3.27Å; C243-G247 WeakPolarHBondContact O-CA 3.4Å; C243-G247 PolarHBondContact O-N 3.42Å; C243-K248 WeakPolarHBondContact CB-O 3.23Å; C243-K248 PolarHBondContact N-O 2.98Å; C243-F250 HydrophobicContact CB-CE2 4.37Å; C243-L256 HydrophobicContact CB-CD1 3.64Å; C243-H263 VanDerWaalsContact SG-CD2 3.56Å
244	K	89.6	Confident	86.1	Confident	203 Å²	203	77.3 Å²	77.3	88%	0.883	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26	179.3	-62.6	-173.8	177.5	-175.4	0	114
245	D	88.6	Confident	86.1	Confident	104 Å²	104	76.2 Å²	76.2	56%	0.556	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.7	-174.4	-53.5	-45.7	0	0	0	113.5	C243 H263	C243-D245 PolarHBondContact O-N 3Å; D245-H263 HydrophobicContact CB-CB 4.36Å; D245-H263 IonicContact OD2-CD2 2.7Å; D245-H263 IonicContact OD2-CG 3.69Å
246	C	91.9	Very high	86.2	Confident	56 Å²	56	73.5 Å²	73.5	38%	0.378	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	4.8	-178.1	70.7	0	0	0	0	115.5	C243 K248 H259 H263	C243-C246 PolarHBondContact O-N 3.42Å; C246-K248 PolarHBondContact O-N 2.85Å; C246-K248 VanDerWaalsContact O-N 3.11Å; C246-H259 PolarHBondContact SG-NE2 2.91Å; C246-H263 PolarHBondContact SG-NE2 3.14Å
247	G	88	Confident	86.3	Confident	40 Å²	40	72.6 Å²	72.6	41%	0.412	40%	0.398	S	S	.	.			trans	68.1	3.3	-178.8	0	0	0	0	0	114.7	E242 C243 A249	E242-G247 WeakPolarHBondContact OE1-CA 3.16Å; C243-G247 VanDerWaalsContact O-CA 3.27Å; C243-G247 WeakPolarHBondContact O-CA 3.4Å; C243-G247 PolarHBondContact O-N 3.42Å; G247-A249 PolarHBondContact O-N 2.94Å
248	K	90.1	Very high	86.2	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	39%	0.389	S	S	*	.			trans	-71.2	125.1	179.5	-74.9	-174.7	-178.1	179.5	0	110.6	C243 C246 F250	C243-K248 WeakPolarHBondContact CB-O 3.23Å; C243-K248 PolarHBondContact N-O 2.98Å; C246-K248 PolarHBondContact O-N 2.85Å; C246-K248 VanDerWaalsContact O-N 3.11Å; K248-F250 HydrophobicContact CB-CE2 3.98Å; K248-F250 HydrophobicContact CB-CZ 4.07Å; K248-F250 WeakPolarHBondContact O-CD2 3.49Å; K248-F250 WeakPolarHBondContact O-CE2 3.24Å
249	A	90.4	Very high	86.4	Confident	32 Å²	32	69 Å²	69	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147.6	178.5	0	0	0	0	0	113	K239 F241 E242 G247	K239-A249 HydrophobicContact CB-CB 3.43Å; K239-A249 VanDerWaalsContact CB-CB 3.43Å; K239-A249 HydrophobicContact CD-CB 4.17Å; K239-A249 WeakPolarHBondContact CD-O 3.46Å; K239-A249 HydrophobicContact CG-CB 4.4Å; K239-A249 WeakPolarHBondContact O-CB 3.34Å; F241-A249 CarbonylContact O-C 3.55Å; F241-A249 WeakPolarHBondContact O-CA 3.25Å; E242-A249 HydrophobicContact CB-CB 4.39Å; E242-A249 HydrophobicContact CG-CB 4.42Å; G247-A249 PolarHBondContact O-N 2.94Å
250	F	86.6	Confident	86.3	Confident	43 Å²	43	66.6 Å²	66.6	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.4	-176.5	-58.8	-89.2	0	0	0	111.4	K239 F241 C243 K248 C252 L256 H259	K239-F250 CarbonylContact C-O 3.55Å; K239-F250 VanDerWaalsContact C-O 3.27Å; K239-F250 VanDerWaalsContact CA-O 3.29Å; K239-F250 WeakPolarHBondContact CA-O 3.46Å; F241-F250 HydrophobicContact CB-CB 4.38Å; F241-F250 PolarHBondContact N-O 3.33Å; F241-F250 VanDerWaalsContact N-O 3.13Å; F241-F250 PolarHBondContact O-N 3.26Å; C243-F250 HydrophobicContact CB-CE2 4.37Å; K248-F250 HydrophobicContact CB-CE2 3.98Å; K248-F250 HydrophobicContact CB-CZ 4.07Å; K248-F250 WeakPolarHBondContact O-CD2 3.49Å; K248-F250 WeakPolarHBondContact O-CE2 3.24Å; F250-C252 VanDerWaalsContact C-N 3.29Å; F250-C252 PolarHBondContact O-N 3.4Å; F250-L256 HydrophobicContact CB-CB 4.31Å; F250-L256 HydrophobicContact CD2-CB 3.85Å; F250-L256 HydrophobicContact CD2-CD1 3.75Å; F250-L256 HydrophobicContact CD2-CG 4.41Å; F250-L256 HydrophobicContact CE2-CD1 3.92Å; F250-L256 HydrophobicContact CG-CB 4.27Å; F250-H259 HydrophobicContact CE1-CB 3.9Å; F250-H259 HydrophobicContact CE2-CB 3.78Å; F250-H259 AromaticContact CE2-CD2 3.36Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.27Å; F250-H259 AromaticContact CE2-CG 3.56Å; F250-H259 HydrophobicContact CZ-CB 3.37Å; F250-H259 AromaticContact CZ-CD2 3.42Å; F250-H259 VanDerWaalsContact CZ-CD2 3.42Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.45Å; F250-H259 AromaticContact CZ-CG 3.14Å; F250-H259 AromaticContact CZ-ND1 3.6Å; F250-H259 AromaticContact CZ-NE2 3.97Å
251	S	85	Confident	86.5	Confident	23 Å²	23	66 Å²	66	16%	0.161	35%	0.347	C	S	.	.	S	Bend	trans	-77.4	-14.1	178.9	59	0	0	0	0	113.9	K233	K233-S251 WeakPolarHBondContact CD-O 3.45Å; K233-S251 PolarHBondContact NZ-O 3.38Å
252	C	81.3	Confident	86.5	Confident	25 Å²	25	68.2 Å²	68.2	17%	0.169	36%	0.361	C	S	.	.	S	Bend	trans	-144	139.9	-176.5	-170.2	0	0	0	0	111	R230 F250 S254 Y255 L256	R230-C252 HydrophobicContact CG-CB 4.48Å; F250-C252 VanDerWaalsContact C-N 3.29Å; F250-C252 PolarHBondContact O-N 3.4Å; C252-S254 VanDerWaalsContact C-N 3.31Å; C252-S254 PolarHBondContact O-N 2.95Å; C252-S254 PolarHBondContact SG-OG 2.84Å; C252-S254 VanDerWaalsContact SG-OG 3.34Å; C252-Y255 HydrophobicContact CB-CD2 3.9Å; C252-Y255 HydrophobicContact CB-CE2 4.33Å; C252-Y255 HydrophobicContact CB-CG 4.42Å; C252-Y255 PolarHBondContact O-N 3.01Å; C252-L256 PolarHBondContact O-N 3.41Å
253	S	81.5	Confident	86.5	Confident	61 Å²	61	66 Å²	66	43%	0.427	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-38.4	-180	55	0	0	0	0	112.8	F241 Y255 L256 S257	F241-S253 VanDerWaalsContact CD2-N 3.33Å; S253-Y255 VanDerWaalsContact C-N 3.28Å; S253-Y255 PolarHBondContact O-N 3.15Å; S253-L256 WeakPolarHBondContact O-CB 3.47Å; S253-L256 PolarHBondContact O-N 3.05Å; S253-L256 VanDerWaalsContact O-N 3.11Å; S253-S257 PolarHBondContact O-N 3.46Å; S253-S257 PolarHBondContact O-OG 3.08Å
254	S	80.2	Confident	86.3	Confident	61 Å²	61	69.8 Å²	69.8	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-33.6	179.3	60.8	0	0	0	0	112.9	C252 Q258	C252-S254 VanDerWaalsContact C-N 3.31Å; C252-S254 PolarHBondContact O-N 2.95Å; C252-S254 PolarHBondContact SG-OG 2.84Å; C252-S254 VanDerWaalsContact SG-OG 3.34Å; S254-Q258 WeakPolarHBondContact O-CB 3.26Å; S254-Q258 PolarHBondContact O-N 3.39Å
255	Y	82.5	Confident	86.1	Confident	99 Å²	99	62.4 Å²	62.4	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-72.1	-37.4	173.7	-63.8	-29.6	0	0	0	112.1	C252 S253 Q258 H259	C252-Y255 HydrophobicContact CB-CD2 3.9Å; C252-Y255 HydrophobicContact CB-CE2 4.33Å; C252-Y255 HydrophobicContact CB-CG 4.42Å; C252-Y255 PolarHBondContact O-N 3.01Å; S253-Y255 VanDerWaalsContact C-N 3.28Å; S253-Y255 PolarHBondContact O-N 3.15Å; Y255-Q258 PolarHBondContact O-N 2.99Å; Y255-H259 VanDerWaalsContact O-CB 3.29Å; Y255-H259 WeakPolarHBondContact O-CB 3.09Å; Y255-H259 PolarHBondContact O-N 3.28Å
256	L	85.9	Confident	86	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-50.4	171.2	172.1	62.6	0	0	0	111.1	F241 C243 F250 C252 S253 Q258 H259 Q260	F241-L256 HydrophobicContact CB-CB 4.01Å; F241-L256 HydrophobicContact CB-CD2 3.81Å; C243-L256 HydrophobicContact CB-CD1 3.64Å; F250-L256 HydrophobicContact CB-CB 4.31Å; F250-L256 HydrophobicContact CD2-CB 3.85Å; F250-L256 HydrophobicContact CD2-CD1 3.75Å; F250-L256 HydrophobicContact CD2-CG 4.41Å; F250-L256 HydrophobicContact CE2-CD1 3.92Å; F250-L256 HydrophobicContact CG-CB 4.27Å; C252-L256 PolarHBondContact O-N 3.41Å; S253-L256 WeakPolarHBondContact O-CB 3.47Å; S253-L256 PolarHBondContact O-N 3.05Å; S253-L256 VanDerWaalsContact O-N 3.11Å; L256-Q258 PolarHBondContact O-N 3.17Å; L256-H259 WeakPolarHBondContact O-CA 3.38Å; L256-H259 WeakPolarHBondContact O-CB 3.44Å; L256-H259 PolarHBondContact O-N 3.24Å; L256-Q260 HydrophobicContact CD1-CG 4.21Å; L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 2.97Å
257	S	84.7	Confident	85.8	Confident	68 Å²	68	67.4 Å²	67.4	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-35	178.6	-56	0	0	0	0	112.4	S253	S253-S257 PolarHBondContact O-N 3.46Å; S253-S257 PolarHBondContact O-OG 3.08Å
258	Q	80.6	Confident	85.6	Confident	62 Å²	62	69 Å²	69	29%	0.29	37%	0.368	S	S	.	.	H	α-helix	trans	-69.2	-42.4	172.9	-178.1	-179.3	84	0	0	111.9	S254 Y255 L256 Q260 R261 Y280	S254-Q258 WeakPolarHBondContact O-CB 3.26Å; S254-Q258 PolarHBondContact O-N 3.39Å; Y255-Q258 PolarHBondContact O-N 2.99Å; L256-Q258 PolarHBondContact O-N 3.17Å; Q258-Q260 PolarHBondContact O-N 2.71Å; Q258-R261 VanDerWaalsContact O-CB 3.23Å; Q258-R261 WeakPolarHBondContact O-CB 3.23Å; Q258-R261 WeakPolarHBondContact O-CG 3.43Å; Q258-R261 PolarHBondContact O-N 2.55Å; Q258-Y280 HydrophobicContact CG-CE1 3.74Å; Q258-Y280 WeakPolarHBondContact CG-OH 3.34Å; Q258-Y280 VanDerWaalsContact OE1-CE1 3.22Å; Q258-Y280 PolarHBondContact OE1-OH 2.89Å; Q258-Y280 VanDerWaalsContact OE1-OH 3.13Å
259	H	86.9	Confident	85.2	Confident	16 Å²	16	64.5 Å²	64.5	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-38.5	177.7	168.6	70.6	0	0	0	112.7	C246 F250 Y255 L256 R261 I262 H263	C246-H259 PolarHBondContact SG-NE2 2.91Å; F250-H259 HydrophobicContact CE1-CB 3.9Å; F250-H259 HydrophobicContact CE2-CB 3.78Å; F250-H259 AromaticContact CE2-CD2 3.36Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.27Å; F250-H259 AromaticContact CE2-CG 3.56Å; F250-H259 HydrophobicContact CZ-CB 3.37Å; F250-H259 AromaticContact CZ-CD2 3.42Å; F250-H259 VanDerWaalsContact CZ-CD2 3.42Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.45Å; F250-H259 AromaticContact CZ-CG 3.14Å; F250-H259 AromaticContact CZ-ND1 3.6Å; F250-H259 AromaticContact CZ-NE2 3.97Å; Y255-H259 VanDerWaalsContact O-CB 3.29Å; Y255-H259 WeakPolarHBondContact O-CB 3.09Å; Y255-H259 PolarHBondContact O-N 3.28Å; L256-H259 WeakPolarHBondContact O-CA 3.38Å; L256-H259 WeakPolarHBondContact O-CB 3.44Å; L256-H259 PolarHBondContact O-N 3.24Å; H259-R261 PolarHBondContact O-N 3.1Å; H259-I262 VanDerWaalsContact O-CB 3.29Å; H259-I262 WeakPolarHBondContact O-CB 3.21Å; H259-I262 WeakPolarHBondContact O-CG1 3.33Å; H259-I262 PolarHBondContact O-N 2.85Å; H259-H263 AromaticContact CE1-NE2 3.86Å; H259-H263 AromaticContact NE2-CD2 3.95Å; H259-H263 AromaticContact NE2-NE2 3.41Å; H259-H263 PolarHBondContact NE2-NE2 3.29Å
260	Q	86.7	Confident	85	Confident	75 Å²	75	68.6 Å²	68.6	35%	0.35	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	176.4	-74.8	-179.2	-44.8	0	0	113.6	L256 Q258 I262 H263 T264	L256-Q260 HydrophobicContact CD1-CG 4.21Å; L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 2.97Å; Q258-Q260 PolarHBondContact O-N 2.71Å; Q260-I262 PolarHBondContact O-N 3.39Å; Q260-H263 PolarHBondContact O-N 3.49Å; Q260-T264 PolarHBondContact O-N 3.02Å; Q260-T264 PolarHBondContact O-OG1 3.34Å
261	R	88.1	Confident	85	Confident	69 Å²	69	66.6 Å²	66.6	26%	0.26	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-21.8	171.5	-59.8	178.9	-173.4	-173.9	-2.6	113	Q258 H259 T264 G265 K266 S279	Q258-R261 VanDerWaalsContact O-CB 3.23Å; Q258-R261 WeakPolarHBondContact O-CB 3.23Å; Q258-R261 WeakPolarHBondContact O-CG 3.43Å; Q258-R261 PolarHBondContact O-N 2.55Å; H259-R261 PolarHBondContact O-N 3.1Å; R261-T264 WeakPolarHBondContact CA-OG1 3.39Å; R261-G265 CarbonylContact O-C 3.29Å; R261-G265 WeakPolarHBondContact O-CA 3.48Å; R261-G265 PolarHBondContact O-N 2.97Å; R261-G265 VanDerWaalsContact O-N 3.08Å; R261-K266 PolarHBondContact O-N 3.48Å; R261-S279 PolarHBondContact NH1-O 3.05Å
262	I	87	Confident	85.1	Confident	118 Å²	118	74.6 Å²	74.6	61%	0.605	39%	0.385	S	S	*	.	H	α-helix	trans	-71	-40.3	175.4	-60.6	173	0	0	0	110.5	H259 Q260	H259-I262 VanDerWaalsContact O-CB 3.29Å; H259-I262 WeakPolarHBondContact O-CB 3.21Å; H259-I262 WeakPolarHBondContact O-CG1 3.33Å; H259-I262 PolarHBondContact O-N 2.85Å; Q260-I262 PolarHBondContact O-N 3.39Å
263	H	89.4	Confident	85.3	Confident	78 Å²	78	79.8 Å²	79.8	36%	0.361	41%	0.407	S	S	.	.	H	α-helix	trans	-78.4	-45.4	179.1	-62.9	-63.5	0	0	0	112.2	C243 D245 C246 H259 Q260 G265	C243-H263 VanDerWaalsContact SG-CD2 3.56Å; D245-H263 HydrophobicContact CB-CB 4.36Å; D245-H263 IonicContact OD2-CD2 2.7Å; D245-H263 IonicContact OD2-CG 3.69Å; C246-H263 PolarHBondContact SG-NE2 3.14Å; H259-H263 AromaticContact CE1-NE2 3.86Å; H259-H263 AromaticContact NE2-CD2 3.95Å; H259-H263 AromaticContact NE2-NE2 3.41Å; H259-H263 PolarHBondContact NE2-NE2 3.29Å; Q260-H263 PolarHBondContact O-N 3.49Å; H263-G265 PolarHBondContact O-N 3.44Å
264	T	86.9	Confident	85.7	Confident	81 Å²	81	79.6 Å²	79.6	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-76.3	-11.8	-179.3	57.2	0	0	0	0	113.5	Q260 R261 K266	Q260-T264 PolarHBondContact O-N 3.02Å; Q260-T264 PolarHBondContact O-OG1 3.34Å; R261-T264 WeakPolarHBondContact CA-OG1 3.39Å; T264-K266 PolarHBondContact O-N 3.13Å
265	G	86.5	Confident	86.1	Confident	47 Å²	47	78.6 Å²	78.6	49%	0.485	40%	0.404	S	S	.	.			trans	64.8	5.4	-173.2	0	0	0	0	0	114.5	R261 H263 K267	R261-G265 CarbonylContact O-C 3.29Å; R261-G265 WeakPolarHBondContact O-CA 3.48Å; R261-G265 PolarHBondContact O-N 2.97Å; R261-G265 VanDerWaalsContact O-N 3.08Å; H263-G265 PolarHBondContact O-N 3.44Å; G265-K267 PolarHBondContact O-N 3.3Å
266	K	85.7	Confident	86.5	Confident	141 Å²	141	79.9 Å²	79.9	61%	0.613	41%	0.411	S	S	*	.			trans	-60.9	122.3	-176.5	-76.3	-175.8	179.6	-175.2	0	111	R261 T264	R261-K266 PolarHBondContact O-N 3.48Å; T264-K266 PolarHBondContact O-N 3.13Å
267	K	87.6	Confident	86.8	Confident	125 Å²	125	80.3 Å²	80.3	54%	0.543	42%	0.418	S	S	.	.			trans	-125.6	81.7	179.5	-74.4	164.9	167.1	-168.8	0	109.8	G265 Y269 A277 F278	G265-K267 PolarHBondContact O-N 3.3Å; K267-Y269 PolarHBondContact O-N 2.98Å; K267-A277 HydrophobicContact CB-CB 3.54Å; K267-A277 HydrophobicContact CD-CB 4.24Å; K267-A277 WeakPolarHBondContact CD-O 3.29Å; K267-A277 HydrophobicContact CG-CB 4.5Å; K267-F278 CarbonylContact C-O 3.53Å; K267-F278 VanDerWaalsContact C-O 3.24Å; K267-F278 VanDerWaalsContact CA-O 3.28Å; K267-F278 WeakPolarHBondContact CA-O 3.39Å
268	P	83.8	Confident	86.9	Confident	73 Å²	73	79 Å²	79	47%	0.474	40%	0.404	S	S	.	.			trans	-68.6	-14.6	-171.5	-20.4	33.6	0	0	0	114.8
269	Y	81.6	Confident	87.1	Confident	35 Å²	35	77.6 Å²	77.6	14%	0.137	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.5	-172.1	-57.1	-77.4	0	0	0	110.1	L125 K267 A277 F278 Y280 C281	L125-Y269 HydrophobicContact CD2-CE1 3.74Å; L125-Y269 HydrophobicContact CG-CE1 4.28Å; K267-Y269 PolarHBondContact O-N 2.98Å; Y269-A277 CarbonylContact O-C 3.6Å; Y269-A277 WeakPolarHBondContact O-CA 3.41Å; Y269-F278 WeakPolarHBondContact CD2-O 3.29Å; Y269-F278 PolarHBondContact N-O 3.13Å; Y269-F278 VanDerWaalsContact N-O 3.14Å; Y269-F278 PolarHBondContact O-N 2.76Å; Y269-Y280 VanDerWaalsContact CD2-C 3.44Å; Y269-C281 HydrophobicContact CD1-CB 3.85Å; Y269-C281 HydrophobicContact CD2-CB 4.47Å; Y269-C281 HydrophobicContact CE1-CB 3.61Å; Y269-C281 HydrophobicContact CE2-CB 4.27Å; Y269-C281 HydrophobicContact CG-CB 4.27Å
270	E	85.6	Confident	86.8	Confident	118 Å²	118	80.5 Å²	80.5	55%	0.551	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.2	-177.2	-167.4	-178.7	161.3	0	0	112.6	K272 G275 A277	E270-K272 PolarHBondContact O-N 3.39Å; E270-G275 WeakPolarHBondContact OE1-CA 3.37Å; E270-A277 HydrophobicContact CB-CB 4.43Å; E270-A277 HydrophobicContact CG-CB 4.41Å
271	C	86.7	Confident	86.5	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.007	40%	0.4	C	S	.	.			trans	-78.8	115.5	170.9	178.2	0	0	0	0	110.4	E273 C274 G275 K276 F278 L284 H291	C271-E273 PolarHBondContact O-N 3.33Å; C271-C274 PolarHBondContact O-N 3.09Å; C271-G275 VanDerWaalsContact O-CA 3.27Å; C271-G275 WeakPolarHBondContact O-CA 3.42Å; C271-G275 PolarHBondContact O-N 3.35Å; C271-K276 WeakPolarHBondContact CB-O 3.36Å; C271-K276 PolarHBondContact N-O 2.91Å; C271-F278 HydrophobicContact CB-CE2 4.39Å; C271-L284 HydrophobicContact CB-CD1 3.66Å; C271-H291 PolarHBondContact SG-NE2 2.81Å; C271-H291 VanDerWaalsContact SG-NE2 3.43Å
272	K	87.8	Confident	86.1	Confident	191 Å²	191	77.6 Å²	77.6	83%	0.83	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.2	-179.2	-63	-171.9	176.3	-171.9	0	114.6	E270	E270-K272 PolarHBondContact O-N 3.39Å
273	E	85.1	Confident	85.9	Confident	135 Å²	135	75 Å²	75	63%	0.631	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-26.7	-175.7	-66.5	176.4	160.8	0	0	113.3	C271 H291	C271-E273 PolarHBondContact O-N 3.33Å; E273-H291 WeakPolarHBondContact OE2-CB 2.86Å; E273-H291 IonicContact OE2-CD2 3Å; E273-H291 PolarHBondContact OE2-CD2 3.36Å; E273-H291 IonicContact OE2-CG 3.82Å; E273-H291 IonicContact OE2-NE2 3.62Å
274	C	91.2	Very high	85.7	Confident	56 Å²	56	71.4 Å²	71.4	38%	0.378	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	5.5	-177.9	73.2	0	0	0	0	115.1	C271 K276 H287	C271-C274 PolarHBondContact O-N 3.09Å; C274-K276 PolarHBondContact O-N 3.48Å; C274-K276 VanDerWaalsContact O-N 3.09Å; C274-H287 PolarHBondContact SG-NE2 2.96Å
275	G	88.2	Confident	85.4	Confident	40 Å²	40	68.4 Å²	68.4	41%	0.412	36%	0.362	S	S	.	.			trans	67.8	2.5	-179.1	0	0	0	0	0	115	E270 C271 A277	E270-G275 WeakPolarHBondContact OE1-CA 3.37Å; C271-G275 VanDerWaalsContact O-CA 3.27Å; C271-G275 WeakPolarHBondContact O-CA 3.42Å; C271-G275 PolarHBondContact O-N 3.35Å; G275-A277 PolarHBondContact O-N 3.12Å
276	K	91.6	Very high	85.2	Confident	126 Å²	126	67.6 Å²	67.6	55%	0.548	35%	0.346	S	S	.	.			trans	-69.5	122.7	-179.3	-75.9	-176.9	-178.3	176.2	0	110.6	C271 C274 F278	C271-K276 WeakPolarHBondContact CB-O 3.36Å; C271-K276 PolarHBondContact N-O 2.91Å; C274-K276 PolarHBondContact O-N 3.48Å; C274-K276 VanDerWaalsContact O-N 3.09Å; K276-F278 HydrophobicContact CB-CE2 4Å; K276-F278 HydrophobicContact CB-CZ 4.03Å; K276-F278 WeakPolarHBondContact O-CD2 3.37Å; K276-F278 WeakPolarHBondContact O-CE2 3.22Å
277	A	90.8	Very high	85.3	Confident	32 Å²	32	61.7 Å²	61.7	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.8	178.3	0	0	0	0	0	113.1	K267 Y269 E270 G275	K267-A277 HydrophobicContact CB-CB 3.54Å; K267-A277 HydrophobicContact CD-CB 4.24Å; K267-A277 WeakPolarHBondContact CD-O 3.29Å; K267-A277 HydrophobicContact CG-CB 4.5Å; Y269-A277 CarbonylContact O-C 3.6Å; Y269-A277 WeakPolarHBondContact O-CA 3.41Å; E270-A277 HydrophobicContact CB-CB 4.43Å; E270-A277 HydrophobicContact CG-CB 4.41Å; G275-A277 PolarHBondContact O-N 3.12Å
278	F	86.3	Confident	85.1	Confident	41 Å²	41	58.3 Å²	58.3	18%	0.18	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.1	-176.9	-58	-86.4	0	0	0	111.3	K267 Y269 C271 K276 Y280 N283 L284 H287	K267-F278 CarbonylContact C-O 3.53Å; K267-F278 VanDerWaalsContact C-O 3.24Å; K267-F278 VanDerWaalsContact CA-O 3.28Å; K267-F278 WeakPolarHBondContact CA-O 3.39Å; Y269-F278 WeakPolarHBondContact CD2-O 3.29Å; Y269-F278 PolarHBondContact N-O 3.13Å; Y269-F278 VanDerWaalsContact N-O 3.14Å; Y269-F278 PolarHBondContact O-N 2.76Å; C271-F278 HydrophobicContact CB-CE2 4.39Å; K276-F278 HydrophobicContact CB-CE2 4Å; K276-F278 HydrophobicContact CB-CZ 4.03Å; K276-F278 WeakPolarHBondContact O-CD2 3.37Å; K276-F278 WeakPolarHBondContact O-CE2 3.22Å; F278-Y280 VanDerWaalsContact C-N 3.35Å; F278-N283 HydrophobicContact CB-CB 4.14Å; F278-N283 HydrophobicContact CD1-CB 3.83Å; F278-N283 HydrophobicContact CG-CB 4.19Å; F278-L284 HydrophobicContact CB-CB 4.42Å; F278-L284 HydrophobicContact CD2-CB 3.85Å; F278-L284 HydrophobicContact CD2-CD1 3.84Å; F278-L284 HydrophobicContact CD2-CG 4.47Å; F278-L284 HydrophobicContact CE2-CD1 4Å; F278-L284 HydrophobicContact CG-CB 4.34Å; F278-H287 HydrophobicContact CE1-CB 3.95Å; F278-H287 HydrophobicContact CE2-CB 3.69Å; F278-H287 AromaticContact CE2-CD2 3.48Å; F278-H287 VanDerWaalsContact CE2-CD2 3.48Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.49Å; F278-H287 AromaticContact CE2-CG 3.56Å; F278-H287 HydrophobicContact CZ-CB 3.31Å; F278-H287 AromaticContact CZ-CD2 3.56Å; F278-H287 AromaticContact CZ-CG 3.17Å; F278-H287 AromaticContact CZ-ND1 3.68Å
279	S	85.6	Confident	85.2	Confident	31 Å²	31	55.4 Å²	55.4	22%	0.217	29%	0.287	C	S	.	.	S	Bend	trans	-81.7	-15.3	176.2	49.4	0	0	0	0	113.4	R261	R261-S279 PolarHBondContact NH1-O 3.05Å
280	Y	80.9	Confident	85.5	Confident	78 Å²	78	59.5 Å²	59.5	31%	0.306	31%	0.31	S	S	.	.	S	Bend	trans	-129.6	138.7	-179.2	-65.2	-98.4	0	0	0	110.5	Q258 Y269 F278 S282 N283 L284	Q258-Y280 HydrophobicContact CG-CE1 3.74Å; Q258-Y280 WeakPolarHBondContact CG-OH 3.34Å; Q258-Y280 VanDerWaalsContact OE1-CE1 3.22Å; Q258-Y280 PolarHBondContact OE1-OH 2.89Å; Q258-Y280 VanDerWaalsContact OE1-OH 3.13Å; Y269-Y280 VanDerWaalsContact CD2-C 3.44Å; F278-Y280 VanDerWaalsContact C-N 3.35Å; Y280-S282 PolarHBondContact O-N 3.43Å; Y280-N283 PolarHBondContact O-N 3.33Å; Y280-L284 PolarHBondContact O-N 3.46Å
281	C	81.2	Confident	85.7	Confident	16 Å²	16	57.5 Å²	57.5	11%	0.108	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-39.9	177.5	-171.9	0	0	0	0	112.3	C121 Y269 N283 L284 I285	C121-C281 HydrophobicContact CB-CB 4.15Å; C121-C281 WeakPolarHBondContact CB-SG 3.34Å; C121-C281 WeakPolarHBondContact SG-CB 3.48Å; C121-C281 CovalentContact SG-SG 2.03Å; C121-C281 PolarHBondContact SG-SG 3.11Å; Y269-C281 HydrophobicContact CD1-CB 3.85Å; Y269-C281 HydrophobicContact CD2-CB 4.47Å; Y269-C281 HydrophobicContact CE1-CB 3.61Å; Y269-C281 HydrophobicContact CE2-CB 4.27Å; Y269-C281 HydrophobicContact CG-CB 4.27Å; C281-N283 PolarHBondContact O-N 3.41Å; C281-L284 WeakPolarHBondContact O-CA 3.21Å; C281-L284 WeakPolarHBondContact O-CB 3.48Å; C281-L284 PolarHBondContact O-N 3.02Å; C281-I285 PolarHBondContact O-N 3.27Å
282	S	78.6	Confident	85.6	Confident	67 Å²	67	61.3 Å²	61.3	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-35.2	176.3	56.5	0	0	0	0	112.9	Y280 I285 D286	Y280-S282 PolarHBondContact O-N 3.43Å; S282-I285 PolarHBondContact O-N 3.27Å; S282-D286 WeakPolarHBondContact O-CB 3.38Å; S282-D286 PolarHBondContact O-N 2.85Å
283	N	83.7	Confident	85.5	Confident	62 Å²	62	54.4 Å²	54.4	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-72	-32.9	176.8	-70	-16.4	0	0	0	112.2	F278 Y280 C281 H287	F278-N283 HydrophobicContact CB-CB 4.14Å; F278-N283 HydrophobicContact CD1-CB 3.83Å; F278-N283 HydrophobicContact CG-CB 4.19Å; Y280-N283 PolarHBondContact O-N 3.33Å; C281-N283 PolarHBondContact O-N 3.41Å; N283-H287 WeakPolarHBondContact O-CB 3.41Å; N283-H287 PolarHBondContact O-N 3.02Å
284	L	84.3	Confident	85.5	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-48	172.3	171.5	62.7	0	0	0	110.6	C271 F278 Y280 C281 D286 H287 Q288	C271-L284 HydrophobicContact CB-CD1 3.66Å; F278-L284 HydrophobicContact CB-CB 4.42Å; F278-L284 HydrophobicContact CD2-CB 3.85Å; F278-L284 HydrophobicContact CD2-CD1 3.84Å; F278-L284 HydrophobicContact CD2-CG 4.47Å; F278-L284 HydrophobicContact CE2-CD1 4Å; F278-L284 HydrophobicContact CG-CB 4.34Å; Y280-L284 PolarHBondContact O-N 3.46Å; C281-L284 WeakPolarHBondContact O-CA 3.21Å; C281-L284 WeakPolarHBondContact O-CB 3.48Å; C281-L284 PolarHBondContact O-N 3.02Å; L284-D286 PolarHBondContact O-N 3.23Å; L284-H287 CarbonylContact O-C 3.55Å; L284-H287 WeakPolarHBondContact O-CA 3.19Å; L284-H287 WeakPolarHBondContact O-CB 3.21Å; L284-H287 PolarHBondContact O-N 2.88Å; L284-H287 VanDerWaalsContact O-N 3.07Å; L284-Q288 HydrophobicContact CD1-CG 4.23Å; L284-Q288 WeakPolarHBondContact O-CG 3.27Å; L284-Q288 PolarHBondContact O-N 3.49Å
285	I	81.1	Confident	85.3	Confident	17 Å²	17	56.8 Å²	56.8	9%	0.087	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-50.4	176.2	-68	-176.4	0	0	0	110.6	E117 C121 C281 S282 H287 Q288 R289	E117-I285 HydrophobicContact CB-CD1 4.39Å; C121-I285 HydrophobicContact CB-CD1 4.27Å; C121-I285 WeakPolarHBondContact SG-CD1 3.49Å; C281-I285 PolarHBondContact O-N 3.27Å; S282-I285 PolarHBondContact O-N 3.27Å; I285-H287 PolarHBondContact O-N 3.05Å; I285-Q288 PolarHBondContact O-N 3.18Å; I285-R289 PolarHBondContact O-N 3.49Å
286	D	82.4	Confident	85	Confident	31 Å²	31	56.7 Å²	56.7	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-33.9	177	-84.6	-13.1	0	0	0	112.4	S282 L284 R289 K308	S282-D286 WeakPolarHBondContact O-CB 3.38Å; S282-D286 PolarHBondContact O-N 2.85Å; L284-D286 PolarHBondContact O-N 3.23Å; D286-R289 IonicContact OD1-CZ 4Å; D286-R289 IonicContact OD1-NH1 3.93Å; D286-R289 PolarHBondContact OD1-NH1 3.14Å; D286-K308 WeakPolarHBondContact OD2-CE 3.44Å; D286-K308 IonicContact OD2-NZ 3.12Å; D286-K308 PolarHBondContact OD2-NZ 3.46Å
287	H	87.2	Confident	84.5	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-74.3	-40.7	178.2	170.1	69.9	0	0	0	112.5	C274 F278 N283 L284 I285 R289 I290 H291	C274-H287 PolarHBondContact SG-NE2 2.96Å; F278-H287 HydrophobicContact CE1-CB 3.95Å; F278-H287 HydrophobicContact CE2-CB 3.69Å; F278-H287 AromaticContact CE2-CD2 3.48Å; F278-H287 VanDerWaalsContact CE2-CD2 3.48Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.49Å; F278-H287 AromaticContact CE2-CG 3.56Å; F278-H287 HydrophobicContact CZ-CB 3.31Å; F278-H287 AromaticContact CZ-CD2 3.56Å; F278-H287 AromaticContact CZ-CG 3.17Å; F278-H287 AromaticContact CZ-ND1 3.68Å; N283-H287 WeakPolarHBondContact O-CB 3.41Å; N283-H287 PolarHBondContact O-N 3.02Å; L284-H287 CarbonylContact O-C 3.55Å; L284-H287 WeakPolarHBondContact O-CA 3.19Å; L284-H287 WeakPolarHBondContact O-CB 3.21Å; L284-H287 PolarHBondContact O-N 2.88Å; L284-H287 VanDerWaalsContact O-N 3.07Å; I285-H287 PolarHBondContact O-N 3.05Å; H287-R289 PolarHBondContact O-N 2.81Å; H287-R289 VanDerWaalsContact O-N 3.16Å; H287-I290 VanDerWaalsContact O-CB 3.23Å; H287-I290 WeakPolarHBondContact O-CB 3.49Å; H287-I290 WeakPolarHBondContact O-CG1 3.47Å; H287-I290 PolarHBondContact O-N 3.45Å; H287-H291 AromaticContact CE1-NE2 3.74Å; H287-H291 AromaticContact NE2-NE2 3.21Å; H287-H291 PolarHBondContact NE2-NE2 3.16Å
288	Q	83.5	Confident	84.2	Confident	55 Å²	55	52.5 Å²	52.5	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-29.7	176.5	-74.2	172.8	-12	0	0	111.8	E124 L284 I285 I290 H291 T292	E124-Q288 PolarHBondContact OE1-NE2 3.13Å; L284-Q288 HydrophobicContact CD1-CG 4.23Å; L284-Q288 WeakPolarHBondContact O-CG 3.27Å; L284-Q288 PolarHBondContact O-N 3.49Å; I285-Q288 PolarHBondContact O-N 3.18Å; Q288-I290 PolarHBondContact O-N 3.47Å; Q288-I290 VanDerWaalsContact O-N 3.12Å; Q288-H291 PolarHBondContact O-N 3.37Å; Q288-T292 PolarHBondContact O-N 2.84Å
289	R	86.5	Confident	84	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.045	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-19.3	173	-64	178.8	179.8	148.9	8.8	114.3	E117 I285 D286 H287 H291 T292 G293 E294 T307	E117-R289 IonicContact OE1-NH2 3.28Å; E117-R289 PolarHBondContact OE1-NH2 3.12Å; E117-R289 IonicContact OE2-CZ 2.83Å; E117-R289 IonicContact OE2-NH2 3.04Å; E117-R289 PolarHBondContact OE2-NH2 2.85Å; I285-R289 PolarHBondContact O-N 3.49Å; D286-R289 IonicContact OD1-CZ 4Å; D286-R289 IonicContact OD1-NH1 3.93Å; D286-R289 PolarHBondContact OD1-NH1 3.14Å; H287-R289 PolarHBondContact O-N 2.81Å; H287-R289 VanDerWaalsContact O-N 3.16Å; R289-H291 VanDerWaalsContact C-N 3.34Å; R289-T292 WeakPolarHBondContact CA-OG1 3.4Å; R289-G293 VanDerWaalsContact O-CA 3.31Å; R289-G293 WeakPolarHBondContact O-CA 3.4Å; R289-G293 PolarHBondContact O-N 3.47Å; R289-E294 HydrophobicContact CG-CB 4.43Å; R289-T307 HydrophobicContact CB-CG2 4.33Å; R289-T307 WeakPolarHBondContact CD-O 3.4Å; R289-T307 PolarHBondContact NH1-O 3.17Å
290	I	88	Confident	84	Confident	121 Å²	121	56.2 Å²	56.2	62%	0.621	30%	0.301	S	S	*	.	H	α-helix	trans	-70	-36.1	173.7	-61.6	173.4	0	0	0	110.4	H287 Q288	H287-I290 VanDerWaalsContact O-CB 3.23Å; H287-I290 WeakPolarHBondContact O-CB 3.49Å; H287-I290 WeakPolarHBondContact O-CG1 3.47Å; H287-I290 PolarHBondContact O-N 3.45Å; Q288-I290 PolarHBondContact O-N 3.47Å; Q288-I290 VanDerWaalsContact O-N 3.12Å
291	H	88.3	Confident	84.2	Confident	76 Å²	76	57.8 Å²	57.8	35%	0.352	32%	0.319	S	S	.	.	H	α-helix	trans	-83.6	-43.1	-179.4	-55.3	-56.4	0	0	0	111.8	C271 E273 H287 Q288 R289 G293	C271-H291 PolarHBondContact SG-NE2 2.81Å; C271-H291 VanDerWaalsContact SG-NE2 3.43Å; E273-H291 WeakPolarHBondContact OE2-CB 2.86Å; E273-H291 IonicContact OE2-CD2 3Å; E273-H291 PolarHBondContact OE2-CD2 3.36Å; E273-H291 IonicContact OE2-CG 3.82Å; E273-H291 IonicContact OE2-NE2 3.62Å; H287-H291 AromaticContact CE1-NE2 3.74Å; H287-H291 AromaticContact NE2-NE2 3.21Å; H287-H291 PolarHBondContact NE2-NE2 3.16Å; Q288-H291 PolarHBondContact O-N 3.37Å; R289-H291 VanDerWaalsContact C-N 3.34Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.22Å
292	T	85.7	Confident	84.6	Confident	80 Å²	80	60.1 Å²	60.1	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-74	-19.9	177.3	66.2	0	0	0	0	112.8	Q288 R289 E294	Q288-T292 PolarHBondContact O-N 2.84Å; R289-T292 WeakPolarHBondContact CA-OG1 3.4Å; T292-E294 PolarHBondContact O-N 3.49Å; T292-E294 WeakPolarHBondContact OG1-CB 3.39Å; T292-E294 WeakPolarHBondContact OG1-CG 3.2Å; T292-E294 PolarHBondContact OG1-N 3.21Å
293	G	86.1	Confident	85	Confident	47 Å²	47	59.6 Å²	59.6	49%	0.485	34%	0.339	S	S	.	.			trans	70.9	6.2	-174.1	0	0	0	0	0	114	R289 H291 K295	R289-G293 VanDerWaalsContact O-CA 3.31Å; R289-G293 WeakPolarHBondContact O-CA 3.4Å; R289-G293 PolarHBondContact O-N 3.47Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.22Å; G293-K295 PolarHBondContact O-N 3.34Å
294	E	84.2	Confident	85.4	Confident	116 Å²	116	62.5 Å²	62.5	54%	0.542	35%	0.349	S	S	.	.			trans	-62.3	131.8	-177.5	-77.6	-172.5	172.6	0	0	112.3	R289 T292	R289-E294 HydrophobicContact CG-CB 4.43Å; T292-E294 PolarHBondContact O-N 3.49Å; T292-E294 WeakPolarHBondContact OG1-CB 3.39Å; T292-E294 WeakPolarHBondContact OG1-CG 3.2Å; T292-E294 PolarHBondContact OG1-N 3.21Å
295	K	87.8	Confident	85.7	Confident	124 Å²	124	64 Å²	64	54%	0.539	36%	0.361	S	S	.	.			trans	-129.3	76.8	177.7	-68.9	169.9	-178.8	178.8	0	110.2	G293 Y297 A305 F306 T307	G293-K295 PolarHBondContact O-N 3.34Å; K295-Y297 PolarHBondContact O-N 2.77Å; K295-Y297 VanDerWaalsContact O-N 3.08Å; K295-A305 HydrophobicContact CB-CB 3.51Å; K295-A305 HydrophobicContact CD-CB 4.23Å; K295-A305 HydrophobicContact CG-CB 4.48Å; K295-F306 CarbonylContact C-O 3.55Å; K295-F306 VanDerWaalsContact C-O 3.23Å; K295-F306 VanDerWaalsContact CA-O 3.24Å; K295-F306 WeakPolarHBondContact CA-O 3.25Å; K295-T307 HydrophobicContact CG-CG2 4.05Å
296	P	80.3	Confident	85.9	Confident	39 Å²	39	64.4 Å²	64.4	25%	0.253	36%	0.363	S	S	.	.			trans	-67.2	-13	-170	-21.9	34.3	0	0	0	115.1	K113	K113-P296 PolarHBondContact NZ-O 3.4Å
297	Y	81.8	Confident	86	Confident	13 Å²	13	64.3 Å²	64.3	5%	0.051	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	95.2	-172.5	-55.5	-80.4	0	0	0	110.2	K295 A305 F306 K308	K295-Y297 PolarHBondContact O-N 2.77Å; K295-Y297 VanDerWaalsContact O-N 3.08Å; Y297-A305 CarbonylContact O-C 3.54Å; Y297-A305 WeakPolarHBondContact O-CA 3.31Å; Y297-F306 PolarHBondContact N-O 2.89Å; Y297-F306 PolarHBondContact O-N 3.41Å; Y297-K308 VanDerWaalsContact CD2-C 3.4Å
298	A	83.8	Confident	85.7	Confident	56 Å²	56	66.7 Å²	66.7	46%	0.463	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.3	179.4	0	0	0	0	0	112.4	A305	A298-A305 HydrophobicContact CB-CB 4.31Å
299	C	83.5	Confident	85.5	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.027	37%	0.373	C	S	.	.			trans	-74.1	123.1	169.3	-176.7	0	0	0	0	110	V301 G303 K304 L312	C299-V301 PolarHBondContact O-N 3.49Å; C299-V301 PolarHBondContact SG-N 2.99Å; C299-G303 WeakPolarHBondContact O-CA 3.45Å; C299-G303 PolarHBondContact O-N 3.27Å; C299-K304 WeakPolarHBondContact CB-O 3.5Å; C299-K304 PolarHBondContact N-O 2.87Å; C299-L312 HydrophobicContact CB-CD1 3.84Å
300	K	85.6	Confident	85.2	Confident	147 Å²	147	68.7 Å²	68.7	64%	0.639	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.4	176.8	-65.6	-175.6	-179.4	176.8	0	113.2	E105	E105-K300 IonicContact OE2-NZ 2.91Å; E105-K300 PolarHBondContact OE2-NZ 3.15Å
301	V	84.6	Confident	85.2	Confident	111 Å²	111	66.1 Å²	66.1	67%	0.673	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-51.8	-175.5	-177.6	0	0	0	0	112.3	C299	C299-V301 PolarHBondContact O-N 3.49Å; C299-V301 PolarHBondContact SG-N 2.99Å
302	C	89.3	Confident	85	Confident	65 Å²	65	63.5 Å²	63.5	44%	0.439	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	2.9	-177.3	68.3	0	0	0	0	114.5	K304 H315 H319	C302-K304 PolarHBondContact O-N 3.01Å; C302-K304 WeakPolarHBondContact SG-CB 3.45Å; C302-H315 PolarHBondContact SG-NE2 2.91Å; C302-H319 PolarHBondContact SG-NE2 3.04Å; C302-H319 VanDerWaalsContact SG-NE2 3.35Å
303	G	87.5	Confident	84.8	Confident	55 Å²	55	64.2 Å²	64.2	57%	0.567	37%	0.366	S	S	*	.			trans	70.8	-5.8	-177.4	0	0	0	0	0	114.9	C299 A305	C299-G303 WeakPolarHBondContact O-CA 3.45Å; C299-G303 PolarHBondContact O-N 3.27Å; G303-A305 PolarHBondContact O-N 3.47Å
304	K	91.6	Very high	84.7	Confident	124 Å²	124	66 Å²	66	54%	0.539	36%	0.361	S	S	.	.			trans	-63.5	126.6	-176.4	-168.7	171	-176.6	174.1	0	111.1	C299 C302 F306	C299-K304 WeakPolarHBondContact CB-O 3.5Å; C299-K304 PolarHBondContact N-O 2.87Å; C302-K304 PolarHBondContact O-N 3.01Å; C302-K304 WeakPolarHBondContact SG-CB 3.45Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.31Å; K304-F306 HydrophobicContact CD-CE1 4.43Å; K304-F306 HydrophobicContact CD-CZ 3.83Å; K304-F306 HydrophobicContact CG-CE2 4.1Å; K304-F306 HydrophobicContact CG-CZ 3.81Å; K304-F306 VanDerWaalsContact O-CE2 3.28Å; K304-F306 WeakPolarHBondContact O-CE2 3.44Å
305	A	89.9	Confident	84.9	Confident	34 Å²	34	61.7 Å²	61.7	28%	0.281	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146.6	-177.1	0	0	0	0	0	113	K295 Y297 A298 G303	K295-A305 HydrophobicContact CB-CB 3.51Å; K295-A305 HydrophobicContact CD-CB 4.23Å; K295-A305 HydrophobicContact CG-CB 4.48Å; Y297-A305 CarbonylContact O-C 3.54Å; Y297-A305 WeakPolarHBondContact O-CA 3.31Å; A298-A305 HydrophobicContact CB-CB 4.31Å; G303-A305 PolarHBondContact O-N 3.47Å
306	F	87.1	Confident	84.7	Confident	27 Å²	27	57.8 Å²	57.8	12%	0.118	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.2	-175.8	-59.1	-86.4	0	0	0	111.5	K295 Y297 K304 Q311 L312 H315	K295-F306 CarbonylContact C-O 3.55Å; K295-F306 VanDerWaalsContact C-O 3.23Å; K295-F306 VanDerWaalsContact CA-O 3.24Å; K295-F306 WeakPolarHBondContact CA-O 3.25Å; Y297-F306 PolarHBondContact N-O 2.89Å; Y297-F306 PolarHBondContact O-N 3.41Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.31Å; K304-F306 HydrophobicContact CD-CE1 4.43Å; K304-F306 HydrophobicContact CD-CZ 3.83Å; K304-F306 HydrophobicContact CG-CE2 4.1Å; K304-F306 HydrophobicContact CG-CZ 3.81Å; K304-F306 VanDerWaalsContact O-CE2 3.28Å; K304-F306 WeakPolarHBondContact O-CE2 3.44Å; F306-Q311 HydrophobicContact CB-CB 3.95Å; F306-Q311 HydrophobicContact CD1-CB 3.78Å; F306-Q311 HydrophobicContact CG-CB 4.05Å; F306-L312 HydrophobicContact CB-CB 4.46Å; F306-L312 HydrophobicContact CD2-CB 3.89Å; F306-L312 HydrophobicContact CD2-CD1 3.95Å; F306-L312 HydrophobicContact CE2-CD1 4.09Å; F306-L312 HydrophobicContact CG-CB 4.39Å; F306-H315 HydrophobicContact CE1-CB 3.97Å; F306-H315 HydrophobicContact CE2-CB 3.73Å; F306-H315 AromaticContact CE2-CD2 3.33Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.24Å; F306-H315 AromaticContact CE2-CG 3.56Å; F306-H315 HydrophobicContact CZ-CB 3.34Å; F306-H315 AromaticContact CZ-CD2 3.43Å; F306-H315 VanDerWaalsContact CZ-CD2 3.43Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.4Å; F306-H315 AromaticContact CZ-CG 3.18Å; F306-H315 AromaticContact CZ-ND1 3.74Å
307	T	84	Confident	85	Confident	29 Å²	29	57.5 Å²	57.5	18%	0.178	32%	0.322	C	S	.	.	S	Bend	trans	-80.8	-20	178.8	54.7	0	0	0	0	112.4	R289 K295 Q311	R289-T307 HydrophobicContact CB-CG2 4.33Å; R289-T307 WeakPolarHBondContact CD-O 3.4Å; R289-T307 PolarHBondContact NH1-O 3.17Å; K295-T307 HydrophobicContact CG-CG2 4.05Å; T307-Q311 PolarHBondContact OG1-OE1 2.94Å; T307-Q311 VanDerWaalsContact OG1-OE1 3.13Å
308	K	81.5	Confident	85.3	Confident	65 Å²	65	62 Å²	62	28%	0.283	35%	0.35	S	S	.	.	S	Bend	trans	-132.8	144.9	-178.5	-54.9	-171.7	-174.2	-140.1	0	111.6	D286 Y297 S310 Q311 L312	D286-K308 WeakPolarHBondContact OD2-CE 3.44Å; D286-K308 IonicContact OD2-NZ 3.12Å; D286-K308 PolarHBondContact OD2-NZ 3.46Å; Y297-K308 VanDerWaalsContact CD2-C 3.4Å; K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 3.49Å; K308-Q311 HydrophobicContact CB-CG 4.11Å; K308-Q311 WeakPolarHBondContact O-CB 3.13Å; K308-Q311 PolarHBondContact O-N 3.32Å; K308-L312 PolarHBondContact O-N 2.8Å
309	S	79.1	Confident	85.3	Confident	36 Å²	36	63 Å²	63	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-40	175.9	59.7	0	0	0	0	112.4	Q311 L312 F313	S309-Q311 VanDerWaalsContact C-N 3.29Å; S309-Q311 PolarHBondContact O-N 3.42Å; S309-L312 WeakPolarHBondContact O-CB 3.45Å; S309-L312 PolarHBondContact O-N 3.37Å; S309-F313 PolarHBondContact O-N 2.83Å
310	S	80.6	Confident	85.4	Confident	73 Å²	73	66.1 Å²	66.1	51%	0.51	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-33.2	178.3	59	0	0	0	0	113.3	K308 Q314	K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 3.49Å; S310-Q314 VanDerWaalsContact O-CB 3.31Å; S310-Q314 WeakPolarHBondContact O-CB 3.34Å; S310-Q314 PolarHBondContact O-N 2.93Å
311	Q	86.3	Confident	85.4	Confident	68 Å²	68	61.4 Å²	61.4	32%	0.318	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-42	175.2	-67.4	171.4	-2.1	0	0	111.2	F306 T307 K308 S309 Q314 H315	F306-Q311 HydrophobicContact CB-CB 3.95Å; F306-Q311 HydrophobicContact CD1-CB 3.78Å; F306-Q311 HydrophobicContact CG-CB 4.05Å; T307-Q311 PolarHBondContact OG1-OE1 2.94Å; T307-Q311 VanDerWaalsContact OG1-OE1 3.13Å; K308-Q311 HydrophobicContact CB-CG 4.11Å; K308-Q311 WeakPolarHBondContact O-CB 3.13Å; K308-Q311 PolarHBondContact O-N 3.32Å; S309-Q311 VanDerWaalsContact C-N 3.29Å; S309-Q311 PolarHBondContact O-N 3.42Å; Q311-Q314 PolarHBondContact O-N 3.14Å; Q311-H315 VanDerWaalsContact O-CB 3.29Å; Q311-H315 WeakPolarHBondContact O-CB 3.2Å; Q311-H315 PolarHBondContact O-N 3.22Å
312	L	85.1	Confident	85.4	Confident	21 Å²	21	60.4 Å²	60.4	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-49.9	173.7	171.2	61.6	0	0	0	110.7	C299 F306 K308 S309 Q314 H315 V316	C299-L312 HydrophobicContact CB-CD1 3.84Å; F306-L312 HydrophobicContact CB-CB 4.46Å; F306-L312 HydrophobicContact CD2-CB 3.89Å; F306-L312 HydrophobicContact CD2-CD1 3.95Å; F306-L312 HydrophobicContact CE2-CD1 4.09Å; F306-L312 HydrophobicContact CG-CB 4.39Å; K308-L312 PolarHBondContact O-N 2.8Å; S309-L312 WeakPolarHBondContact O-CB 3.45Å; S309-L312 PolarHBondContact O-N 3.37Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.31Å; L312-H315 WeakPolarHBondContact O-CA 3.38Å; L312-H315 WeakPolarHBondContact O-CB 3.34Å; L312-H315 PolarHBondContact O-N 3.05Å; L312-V316 HydrophobicContact CD1-CG2 4.17Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.29Å
313	F	81.2	Confident	85.5	Confident	94 Å²	94	63.1 Å²	63.1	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-41.3	179.6	-178.6	-108.8	0	0	0	112.2	M103 S309 H315 R317	M103-F313 HydrophobicContact SD-CE2 3.85Å; S309-F313 PolarHBondContact O-N 2.83Å; F313-H315 VanDerWaalsContact C-N 3.34Å; F313-R317 VanDerWaalsContact CE1-NH2 3.3Å
314	Q	83.7	Confident	85.5	Confident	84 Å²	84	64 Å²	64	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-38.8	173.7	178.4	178.6	91.9	0	0	112.4	S310 Q311 L312 R317 Q336	S310-Q314 VanDerWaalsContact O-CB 3.31Å; S310-Q314 WeakPolarHBondContact O-CB 3.34Å; S310-Q314 PolarHBondContact O-N 2.93Å; Q311-Q314 PolarHBondContact O-N 3.14Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.31Å; Q314-R317 WeakPolarHBondContact O-CB 3.47Å; Q314-R317 PolarHBondContact O-N 2.93Å; Q314-Q336 HydrophobicContact CG-CG 4.43Å
315	H	88.4	Confident	85.5	Confident	26 Å²	26	62 Å²	62	12%	0.12	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-36.1	179.4	166.6	67.3	0	0	0	113	C302 F306 Q311 L312 F313 R317 V318 H319	C302-H315 PolarHBondContact SG-NE2 2.91Å; F306-H315 HydrophobicContact CE1-CB 3.97Å; F306-H315 HydrophobicContact CE2-CB 3.73Å; F306-H315 AromaticContact CE2-CD2 3.33Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.24Å; F306-H315 AromaticContact CE2-CG 3.56Å; F306-H315 HydrophobicContact CZ-CB 3.34Å; F306-H315 AromaticContact CZ-CD2 3.43Å; F306-H315 VanDerWaalsContact CZ-CD2 3.43Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.4Å; F306-H315 AromaticContact CZ-CG 3.18Å; F306-H315 AromaticContact CZ-ND1 3.74Å; Q311-H315 VanDerWaalsContact O-CB 3.29Å; Q311-H315 WeakPolarHBondContact O-CB 3.2Å; Q311-H315 PolarHBondContact O-N 3.22Å; L312-H315 WeakPolarHBondContact O-CA 3.38Å; L312-H315 WeakPolarHBondContact O-CB 3.34Å; L312-H315 PolarHBondContact O-N 3.05Å; F313-H315 VanDerWaalsContact C-N 3.34Å; H315-R317 PolarHBondContact O-N 3.38Å; H315-V318 VanDerWaalsContact O-CB 3.23Å; H315-V318 WeakPolarHBondContact O-CB 3.48Å; H315-V318 WeakPolarHBondContact O-CG2 3.45Å; H315-V318 PolarHBondContact O-N 3.02Å; H315-H319 AromaticContact CE1-NE2 3.67Å; H315-H319 AromaticContact NE2-CD2 3.95Å; H315-H319 AromaticContact NE2-NE2 3.34Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å
316	V	83	Confident	85.7	Confident	43 Å²	43	66.3 Å²	66.3	26%	0.261	35%	0.349	S	S	.	.	H	α-helix	trans	-54.4	-29.9	176.3	169.1	0	0	0	0	111.6	L312 V318 H319 T320	L312-V316 HydrophobicContact CD1-CG2 4.17Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.29Å; V316-V318 PolarHBondContact O-N 3.29Å; V316-V318 VanDerWaalsContact O-N 3.14Å; V316-H319 WeakPolarHBondContact O-CB 3.5Å; V316-H319 PolarHBondContact O-N 2.92Å; V316-T320 HydrophobicContact CG1-CG2 4.08Å; V316-T320 PolarHBondContact O-N 3.39Å; V316-T320 VanDerWaalsContact O-N 3.09Å
317	R	87.8	Confident	86.1	Confident	33 Å²	33	65 Å²	65	13%	0.125	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-21	174.4	-56.6	178	-176.4	-153.8	-14.6	114.3	F313 Q314 H315 H319 T320 G321 E322 T335	F313-R317 VanDerWaalsContact CE1-NH2 3.3Å; Q314-R317 WeakPolarHBondContact O-CB 3.47Å; Q314-R317 PolarHBondContact O-N 2.93Å; H315-R317 PolarHBondContact O-N 3.38Å; R317-H319 VanDerWaalsContact C-N 3.31Å; R317-T320 WeakPolarHBondContact CA-OG1 3.43Å; R317-G321 WeakPolarHBondContact O-CA 3.42Å; R317-G321 PolarHBondContact O-N 3.2Å; R317-E322 HydrophobicContact CG-CB 4.49Å; R317-E322 PolarHBondContact O-N 3.36Å; R317-T335 HydrophobicContact CB-CG2 4.43Å; R317-T335 PolarHBondContact NH1-O 3.05Å
318	V	86.9	Confident	86.5	Confident	106 Å²	106	73.5 Å²	73.5	64%	0.642	38%	0.378	S	S	*	.	H	α-helix	trans	-69.1	-34	173.1	180	0	0	0	0	110.7	H315 V316	H315-V318 VanDerWaalsContact O-CB 3.23Å; H315-V318 WeakPolarHBondContact O-CB 3.48Å; H315-V318 WeakPolarHBondContact O-CG2 3.45Å; H315-V318 PolarHBondContact O-N 3.02Å; V316-V318 PolarHBondContact O-N 3.29Å; V316-V318 VanDerWaalsContact O-N 3.14Å
319	H	85.6	Confident	87.1	Confident	79 Å²	79	76.7 Å²	76.7	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-83.4	-41.1	178.6	-63	-60.4	0	0	0	112.2	C302 H315 V316 R317 G321	C302-H319 PolarHBondContact SG-NE2 3.04Å; C302-H319 VanDerWaalsContact SG-NE2 3.35Å; H315-H319 AromaticContact CE1-NE2 3.67Å; H315-H319 AromaticContact NE2-CD2 3.95Å; H315-H319 AromaticContact NE2-NE2 3.34Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å; V316-H319 WeakPolarHBondContact O-CB 3.5Å; V316-H319 PolarHBondContact O-N 2.92Å; R317-H319 VanDerWaalsContact C-N 3.31Å; H319-G321 VanDerWaalsContact C-N 3.3Å
320	T	84.3	Confident	87.8	Confident	68 Å²	68	78 Å²	78	42%	0.417	40%	0.402	S	S	.	.	H	α-helix	trans	-78.3	-17.9	179.5	62.7	0	0	0	0	112.8	V316 R317 E322	V316-T320 HydrophobicContact CG1-CG2 4.08Å; V316-T320 PolarHBondContact O-N 3.39Å; V316-T320 VanDerWaalsContact O-N 3.09Å; R317-T320 WeakPolarHBondContact CA-OG1 3.43Å; T320-E322 PolarHBondContact O-N 2.86Å; T320-E322 WeakPolarHBondContact OG1-CB 3.29Å; T320-E322 WeakPolarHBondContact OG1-CG 3.49Å; T320-E322 PolarHBondContact OG1-N 3.32Å
321	G	86	Confident	88.4	Confident	48 Å²	48	76.5 Å²	76.5	50%	0.495	40%	0.398	S	S	.	.			trans	71.2	5.5	-173.2	0	0	0	0	0	113.9	R317 H319 K323	R317-G321 WeakPolarHBondContact O-CA 3.42Å; R317-G321 PolarHBondContact O-N 3.2Å; H319-G321 VanDerWaalsContact C-N 3.3Å; G321-K323 PolarHBondContact O-N 3.16Å
322	E	85.5	Confident	88.8	Confident	90 Å²	90	79 Å²	79	42%	0.421	41%	0.408	S	S	.	.			trans	-61.3	126.7	-177.3	-79.4	-176.6	177.1	0	0	112.2	R317 T320	R317-E322 HydrophobicContact CG-CB 4.49Å; R317-E322 PolarHBondContact O-N 3.36Å; T320-E322 PolarHBondContact O-N 2.86Å; T320-E322 WeakPolarHBondContact OG1-CB 3.29Å; T320-E322 WeakPolarHBondContact OG1-CG 3.49Å; T320-E322 PolarHBondContact OG1-N 3.32Å
323	K	91	Very high	89.2	Confident	122 Å²	122	79.4 Å²	79.4	53%	0.53	42%	0.415	S	S	.	.			trans	-127.3	76.9	177.2	-69.6	166.3	176.6	-178.4	0	110.2	G321 Y325 A333 F334 T335	G321-K323 PolarHBondContact O-N 3.16Å; K323-Y325 PolarHBondContact O-N 3.43Å; K323-A333 HydrophobicContact CB-CB 3.51Å; K323-A333 HydrophobicContact CD-CB 4.1Å; K323-A333 WeakPolarHBondContact CD-O 3.36Å; K323-A333 HydrophobicContact CG-CB 4.42Å; K323-F334 CarbonylContact C-O 3.52Å; K323-F334 VanDerWaalsContact C-O 3.27Å; K323-F334 VanDerWaalsContact CA-O 3.3Å; K323-F334 WeakPolarHBondContact CA-O 3.42Å; K323-T335 HydrophobicContact CG-CG2 3.95Å
324	P	87	Confident	89.8	Confident	74 Å²	74	76.5 Å²	76.5	48%	0.481	40%	0.402	S	S	.	.			trans	-66.8	-12.2	-171.6	-22.7	35.5	0	0	0	115
325	Y	92.3	Very high	90.1	Very high	83 Å²	83	74.8 Å²	74.8	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	96.9	-172.9	-56.9	-73.3	0	0	0	110.2	K323 A333 F334 S337	K323-Y325 PolarHBondContact O-N 3.43Å; Y325-A333 CarbonylContact O-C 3.48Å; Y325-A333 WeakPolarHBondContact O-CA 3.42Å; Y325-F334 PolarHBondContact N-O 2.89Å; Y325-F334 PolarHBondContact O-N 3.01Å; Y325-S337 VanDerWaalsContact CD2-N 3.26Å; Y325-S337 VanDerWaalsContact CE2-N 3.3Å
326	E	94.4	Very high	90.2	Very high	123 Å²	123	75.7 Å²	75.7	58%	0.575	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.6	-178.2	-167.1	-179.9	159.9	0	0	112.6	G331 A333	E326-G331 WeakPolarHBondContact OE1-CA 3.44Å; E326-A333 HydrophobicContact CB-CB 4.37Å; E326-A333 HydrophobicContact CG-CB 4.34Å
327	C	94.6	Very high	90.6	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.41	C	S	.	.			trans	-80.5	117.3	170.6	-178.3	0	0	0	0	110.3	E329 C330 G331 K332 L340 H347	C327-E329 PolarHBondContact O-N 3.43Å; C327-C330 PolarHBondContact O-N 3.36Å; C327-C330 VanDerWaalsContact SG-SG 3.67Å; C327-G331 VanDerWaalsContact O-CA 3.27Å; C327-G331 WeakPolarHBondContact O-CA 3.33Å; C327-G331 PolarHBondContact O-N 3.01Å; C327-K332 WeakPolarHBondContact CB-O 3.43Å; C327-K332 PolarHBondContact N-O 3.47Å; C327-L340 HydrophobicContact CB-CD1 3.69Å; C327-H347 PolarHBondContact SG-NE2 3.17Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å
328	K	93.3	Very high	90.7	Very high	208 Å²	208	78.3 Å²	78.3	90%	0.904	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.1	-179.7	-63.8	-172.2	176.5	-174.3	0	114.3
329	E	92.2	Very high	91	Very high	131 Å²	131	77.5 Å²	77.5	61%	0.612	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-30.6	-175.6	-68.1	171.3	151.3	0	0	113.2	C327 H347	C327-E329 PolarHBondContact O-N 3.43Å; E329-H347 WeakPolarHBondContact OE2-CB 3.3Å; E329-H347 IonicContact OE2-CD2 2.89Å; E329-H347 PolarHBondContact OE2-CD2 3.29Å; E329-H347 IonicContact OE2-CG 3.06Å; E329-H347 IonicContact OE2-NE2 2.89Å
330	C	94.5	Very high	91.4	Very high	64 Å²	64	74.8 Å²	74.8	43%	0.432	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	4	-176.9	70.9	0	0	0	0	114.8	C327 K332 H343	C327-C330 PolarHBondContact O-N 3.36Å; C327-C330 VanDerWaalsContact SG-SG 3.67Å; C330-K332 PolarHBondContact O-N 3.34Å; C330-K332 VanDerWaalsContact O-N 3.08Å; C330-K332 WeakPolarHBondContact SG-CB 3.23Å; C330-H343 PolarHBondContact SG-NE2 3.35Å
331	G	92.6	Very high	91.8	Very high	41 Å²	41	75.1 Å²	75.1	42%	0.423	40%	0.404	S	S	.	.			trans	67.8	2.4	-177.6	0	0	0	0	0	114.7	E326 C327 A333	E326-G331 WeakPolarHBondContact OE1-CA 3.44Å; C327-G331 VanDerWaalsContact O-CA 3.27Å; C327-G331 WeakPolarHBondContact O-CA 3.33Å; C327-G331 PolarHBondContact O-N 3.01Å; G331-A333 PolarHBondContact O-N 2.95Å
332	K	95.2	Very high	92.1	Very high	120 Å²	120	75.6 Å²	75.6	52%	0.522	39%	0.394	S	S	.	.			trans	-72.4	121	-176.5	-166.8	168.3	-175.3	169.5	0	110.6	C327 C330 F334	C327-K332 WeakPolarHBondContact CB-O 3.43Å; C327-K332 PolarHBondContact N-O 3.47Å; C330-K332 PolarHBondContact O-N 3.34Å; C330-K332 VanDerWaalsContact O-N 3.08Å; C330-K332 WeakPolarHBondContact SG-CB 3.23Å; K332-F334 HydrophobicContact CB-CE2 4.18Å; K332-F334 HydrophobicContact CB-CZ 4.31Å; K332-F334 HydrophobicContact CD-CZ 3.87Å; K332-F334 HydrophobicContact CG-CE2 4.04Å; K332-F334 HydrophobicContact CG-CZ 3.79Å; K332-F334 WeakPolarHBondContact O-CD2 3.34Å; K332-F334 VanDerWaalsContact O-CE2 3.23Å; K332-F334 WeakPolarHBondContact O-CE2 3.28Å
333	A	94.6	Very high	92.5	Very high	31 Å²	31	72.4 Å²	72.4	26%	0.256	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.8	-179.4	0	0	0	0	0	113.5	K323 Y325 E326 G331	K323-A333 HydrophobicContact CB-CB 3.51Å; K323-A333 HydrophobicContact CD-CB 4.1Å; K323-A333 WeakPolarHBondContact CD-O 3.36Å; K323-A333 HydrophobicContact CG-CB 4.42Å; Y325-A333 CarbonylContact O-C 3.48Å; Y325-A333 WeakPolarHBondContact O-CA 3.42Å; E326-A333 HydrophobicContact CB-CB 4.37Å; E326-A333 HydrophobicContact CG-CB 4.34Å; G331-A333 PolarHBondContact O-N 2.95Å
334	F	94	Very high	92.6	Very high	33 Å²	33	70.1 Å²	70.1	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.1	-176.3	-59.5	-88.3	0	0	0	111.9	K323 Y325 K332 Q336 K339 L340 H343	K323-F334 CarbonylContact C-O 3.52Å; K323-F334 VanDerWaalsContact C-O 3.27Å; K323-F334 VanDerWaalsContact CA-O 3.3Å; K323-F334 WeakPolarHBondContact CA-O 3.42Å; Y325-F334 PolarHBondContact N-O 2.89Å; Y325-F334 PolarHBondContact O-N 3.01Å; K332-F334 HydrophobicContact CB-CE2 4.18Å; K332-F334 HydrophobicContact CB-CZ 4.31Å; K332-F334 HydrophobicContact CD-CZ 3.87Å; K332-F334 HydrophobicContact CG-CE2 4.04Å; K332-F334 HydrophobicContact CG-CZ 3.79Å; K332-F334 WeakPolarHBondContact O-CD2 3.34Å; K332-F334 VanDerWaalsContact O-CE2 3.23Å; K332-F334 WeakPolarHBondContact O-CE2 3.28Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; F334-K339 HydrophobicContact CB-CB 4.23Å; F334-K339 HydrophobicContact CD1-CB 3.87Å; F334-K339 HydrophobicContact CG-CB 4.25Å; F334-L340 HydrophobicContact CB-CB 4.45Å; F334-L340 HydrophobicContact CD2-CB 3.93Å; F334-L340 HydrophobicContact CD2-CD1 3.91Å; F334-L340 HydrophobicContact CE2-CD1 4.08Å; F334-L340 HydrophobicContact CG-CB 4.4Å; F334-H343 HydrophobicContact CE1-CB 3.99Å; F334-H343 HydrophobicContact CE2-CB 3.71Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.31Å; F334-H343 AromaticContact CE2-CG 3.57Å; F334-H343 HydrophobicContact CZ-CB 3.33Å; F334-H343 AromaticContact CZ-CD2 3.49Å; F334-H343 VanDerWaalsContact CZ-CD2 3.49Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.39Å; F334-H343 AromaticContact CZ-CG 3.19Å; F334-H343 AromaticContact CZ-ND1 3.75Å
335	T	90.1	Very high	93	Very high	48 Å²	48	69.1 Å²	69.1	29%	0.294	36%	0.357	S	S	.	.	S	Bend	trans	-78.1	-17.5	176.6	59.1	0	0	0	0	113	R317 K323	R317-T335 HydrophobicContact CB-CG2 4.43Å; R317-T335 PolarHBondContact NH1-O 3.05Å; K323-T335 HydrophobicContact CG-CG2 3.95Å
336	Q	89.9	Confident	93	Very high	45 Å²	45	70.8 Å²	70.8	21%	0.21	37%	0.37	C	S	.	.	S	Bend	trans	-132.9	139.6	-176.8	-63	178.8	-10.4	0	0	111.2	Q314 F334 S338 K339 L340	Q314-Q336 HydrophobicContact CG-CG 4.43Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; Q336-S338 VanDerWaalsContact C-N 3.35Å; Q336-S338 PolarHBondContact O-N 3.18Å; Q336-K339 HydrophobicContact CB-CB 4.34Å; Q336-K339 HydrophobicContact CB-CG 3.96Å; Q336-K339 PolarHBondContact O-N 3.17Å; Q336-L340 PolarHBondContact O-N 3.08Å
337	S	91.2	Very high	92.9	Very high	61 Å²	61	68.6 Å²	68.6	43%	0.427	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-38.9	177.6	54.2	0	0	0	0	112.5	Y325 K339 L340 V341	Y325-S337 VanDerWaalsContact CD2-N 3.26Å; Y325-S337 VanDerWaalsContact CE2-N 3.3Å; S337-K339 PolarHBondContact O-N 3.26Å; S337-L340 WeakPolarHBondContact O-CB 3.48Å; S337-L340 PolarHBondContact O-N 2.8Å; S337-L340 VanDerWaalsContact O-N 3.1Å; S337-V341 WeakPolarHBondContact O-CG2 3.31Å; S337-V341 PolarHBondContact O-N 2.81Å
338	S	90.5	Very high	92.7	Very high	69 Å²	69	72.4 Å²	72.4	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-31.8	176.9	57.6	0	0	0	0	112.7	Q336 Q342	Q336-S338 VanDerWaalsContact C-N 3.35Å; Q336-S338 PolarHBondContact O-N 3.18Å; S338-Q342 VanDerWaalsContact O-CB 3.3Å; S338-Q342 WeakPolarHBondContact O-CB 3.35Å; S338-Q342 PolarHBondContact O-N 3.33Å
339	K	93.1	Very high	92.6	Very high	90 Å²	90	64.8 Å²	64.8	39%	0.391	36%	0.364	S	S	.	.	H	α-helix	trans	-75.5	-35.7	175.5	-61.8	-62.4	174.9	-172.4	0	112.3	F334 Q336 S337 H343	F334-K339 HydrophobicContact CB-CB 4.23Å; F334-K339 HydrophobicContact CD1-CB 3.87Å; F334-K339 HydrophobicContact CG-CB 4.25Å; Q336-K339 HydrophobicContact CB-CB 4.34Å; Q336-K339 HydrophobicContact CB-CG 3.96Å; Q336-K339 PolarHBondContact O-N 3.17Å; S337-K339 PolarHBondContact O-N 3.26Å; K339-H343 VanDerWaalsContact O-CB 3.23Å; K339-H343 WeakPolarHBondContact O-CB 3.3Å; K339-H343 PolarHBondContact O-N 3.18Å
340	L	93.7	Very high	92.6	Very high	22 Å²	22	64 Å²	64	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-50.3	170	172.6	61.7	0	0	0	111.1	C327 F334 Q336 S337 Q342 H343 Q344	C327-L340 HydrophobicContact CB-CD1 3.69Å; F334-L340 HydrophobicContact CB-CB 4.45Å; F334-L340 HydrophobicContact CD2-CB 3.93Å; F334-L340 HydrophobicContact CD2-CD1 3.91Å; F334-L340 HydrophobicContact CE2-CD1 4.08Å; F334-L340 HydrophobicContact CG-CB 4.4Å; Q336-L340 PolarHBondContact O-N 3.08Å; S337-L340 WeakPolarHBondContact O-CB 3.48Å; S337-L340 PolarHBondContact O-N 2.8Å; S337-L340 VanDerWaalsContact O-N 3.1Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 2.89Å; L340-H343 CarbonylContact O-C 3.27Å; L340-H343 WeakPolarHBondContact O-CA 3.4Å; L340-H343 WeakPolarHBondContact O-CB 3.45Å; L340-H343 PolarHBondContact O-N 3.33Å; L340-Q344 HydrophobicContact CD1-CG 4.18Å; L340-Q344 WeakPolarHBondContact O-CG 3.5Å; L340-Q344 PolarHBondContact O-N 2.86Å
341	V	92.4	Very high	92.5	Very high	74 Å²	74	66.9 Å²	66.9	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-43.4	178.3	173.4	0	0	0	0	111.1	S337 H343 Q344	S337-V341 WeakPolarHBondContact O-CG2 3.31Å; S337-V341 PolarHBondContact O-N 2.81Å; V341-H343 VanDerWaalsContact C-N 3.28Å; V341-H343 PolarHBondContact O-N 2.03Å; V341-Q344 PolarHBondContact O-N 3.07Å
342	Q	91.9	Very high	92.5	Very high	59 Å²	59	68.5 Å²	68.5	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-37.9	174.6	-177.6	-179.8	18.1	0	0	112	S338 L340 R345	S338-Q342 VanDerWaalsContact O-CB 3.3Å; S338-Q342 WeakPolarHBondContact O-CB 3.35Å; S338-Q342 PolarHBondContact O-N 3.33Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 2.89Å; Q342-R345 WeakPolarHBondContact O-CB 3.45Å
343	H	94.4	Very high	92.5	Very high	22 Å²	22	67.1 Å²	67.1	10%	0.102	36%	0.36	C	S	.	.	H	α-helix	trans	-71.1	-38.8	179.6	169.7	65.9	0	0	0	112.9	C330 F334 K339 L340 V341 R345 I346 H347	C330-H343 PolarHBondContact SG-NE2 3.35Å; F334-H343 HydrophobicContact CE1-CB 3.99Å; F334-H343 HydrophobicContact CE2-CB 3.71Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.31Å; F334-H343 AromaticContact CE2-CG 3.57Å; F334-H343 HydrophobicContact CZ-CB 3.33Å; F334-H343 AromaticContact CZ-CD2 3.49Å; F334-H343 VanDerWaalsContact CZ-CD2 3.49Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.39Å; F334-H343 AromaticContact CZ-CG 3.19Å; F334-H343 AromaticContact CZ-ND1 3.75Å; K339-H343 VanDerWaalsContact O-CB 3.23Å; K339-H343 WeakPolarHBondContact O-CB 3.3Å; K339-H343 PolarHBondContact O-N 3.18Å; L340-H343 CarbonylContact O-C 3.27Å; L340-H343 WeakPolarHBondContact O-CA 3.4Å; L340-H343 WeakPolarHBondContact O-CB 3.45Å; L340-H343 PolarHBondContact O-N 3.33Å; V341-H343 VanDerWaalsContact C-N 3.28Å; V341-H343 PolarHBondContact O-N 2.03Å; H343-R345 PolarHBondContact O-N 3.25Å; H343-R345 VanDerWaalsContact O-N 3.08Å; H343-I346 WeakPolarHBondContact ND1-CD1 3.47Å; H343-I346 VanDerWaalsContact O-CB 3.27Å; H343-I346 WeakPolarHBondContact O-CB 3.24Å; H343-I346 VanDerWaalsContact O-CG1 3.31Å; H343-I346 WeakPolarHBondContact O-CG1 3.38Å; H343-I346 PolarHBondContact O-N 3.25Å; H343-H347 AromaticContact CE1-NE2 3.93Å; H343-H347 AromaticContact NE2-NE2 3.4Å; H343-H347 PolarHBondContact NE2-NE2 2.96Å
344	Q	93.4	Very high	92.5	Very high	74 Å²	74	71.6 Å²	71.6	35%	0.346	38%	0.376	S	S	.	.	H	α-helix	trans	-56.8	-26.4	177.6	-75.1	173.7	-42.6	0	0	112.6	L340 V341 I346 H347 T348	L340-Q344 HydrophobicContact CD1-CG 4.18Å; L340-Q344 WeakPolarHBondContact O-CG 3.5Å; L340-Q344 PolarHBondContact O-N 2.86Å; V341-Q344 PolarHBondContact O-N 3.07Å; Q344-I346 PolarHBondContact O-N 2.99Å; Q344-I346 VanDerWaalsContact O-N 3.15Å; Q344-H347 PolarHBondContact O-N 3.37Å; Q344-T348 PolarHBondContact O-N 3.39Å; Q344-T348 VanDerWaalsContact O-N 3.11Å
345	R	94	Very high	92.6	Very high	53 Å²	53	70 Å²	70	20%	0.2	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-17.1	173.3	-62	179.6	-177.8	171.3	-2.5	114.6	Q342 H343 H347 T348 G349 E350 S363	Q342-R345 WeakPolarHBondContact O-CB 3.45Å; H343-R345 PolarHBondContact O-N 3.25Å; H343-R345 VanDerWaalsContact O-N 3.08Å; R345-H347 VanDerWaalsContact C-N 3.32Å; R345-T348 WeakPolarHBondContact CA-OG1 3.45Å; R345-G349 CarbonylContact O-C 3.55Å; R345-G349 WeakPolarHBondContact O-CA 3.23Å; R345-G349 PolarHBondContact O-N 3.19Å; R345-E350 HydrophobicContact CB-CB 4.49Å; R345-E350 HydrophobicContact CG-CB 4.29Å; R345-E350 PolarHBondContact O-N 3.07Å; R345-S363 WeakPolarHBondContact CD-O 3.14Å; R345-S363 PolarHBondContact NH1-O 3.23Å
346	I	92.3	Very high	92.7	Very high	119 Å²	119	77.6 Å²	77.6	61%	0.61	40%	0.398	S	S	*	.	H	α-helix	trans	-70.7	-34.7	173	-59.1	177.2	0	0	0	110.2	H343 Q344	H343-I346 WeakPolarHBondContact ND1-CD1 3.47Å; H343-I346 VanDerWaalsContact O-CB 3.27Å; H343-I346 WeakPolarHBondContact O-CB 3.24Å; H343-I346 VanDerWaalsContact O-CG1 3.31Å; H343-I346 WeakPolarHBondContact O-CG1 3.38Å; H343-I346 PolarHBondContact O-N 3.25Å; Q344-I346 PolarHBondContact O-N 2.99Å; Q344-I346 VanDerWaalsContact O-N 3.15Å
347	H	93.5	Very high	92.8	Very high	76 Å²	76	81.3 Å²	81.3	35%	0.352	42%	0.415	S	S	.	.	H	α-helix	trans	-83.5	-42.5	-179.3	-56.2	-54.5	0	0	0	111.7	C327 E329 H343 Q344 R345 G349	C327-H347 PolarHBondContact SG-NE2 3.17Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å; E329-H347 WeakPolarHBondContact OE2-CB 3.3Å; E329-H347 IonicContact OE2-CD2 2.89Å; E329-H347 PolarHBondContact OE2-CD2 3.29Å; E329-H347 IonicContact OE2-CG 3.06Å; E329-H347 IonicContact OE2-NE2 2.89Å; H343-H347 AromaticContact CE1-NE2 3.93Å; H343-H347 AromaticContact NE2-NE2 3.4Å; H343-H347 PolarHBondContact NE2-NE2 2.96Å; Q344-H347 PolarHBondContact O-N 3.37Å; R345-H347 VanDerWaalsContact C-N 3.32Å; H347-G349 VanDerWaalsContact C-N 3.27Å; H347-G349 PolarHBondContact O-N 2.96Å
348	T	90.6	Very high	92.9	Very high	81 Å²	81	81.5 Å²	81.5	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-76.1	-16.8	176.9	65.6	0	0	0	0	113.2	Q344 R345 E350	Q344-T348 PolarHBondContact O-N 3.39Å; Q344-T348 VanDerWaalsContact O-N 3.11Å; R345-T348 WeakPolarHBondContact CA-OG1 3.45Å; T348-E350 PolarHBondContact O-N 3.25Å; T348-E350 WeakPolarHBondContact OG1-CB 3.46Å; T348-E350 WeakPolarHBondContact OG1-CG 3.43Å; T348-E350 PolarHBondContact OG1-N 2.66Å
349	G	89.9	Confident	93	Very high	48 Å²	48	80.1 Å²	80.1	50%	0.495	41%	0.412	S	S	.	.			trans	70.9	3.8	-173.1	0	0	0	0	0	114.3	R345 H347 K351	R345-G349 CarbonylContact O-C 3.55Å; R345-G349 WeakPolarHBondContact O-CA 3.23Å; R345-G349 PolarHBondContact O-N 3.19Å; H347-G349 VanDerWaalsContact C-N 3.27Å; H347-G349 PolarHBondContact O-N 2.96Å; G349-K351 PolarHBondContact O-N 2.94Å
350	E	92.2	Very high	93.1	Very high	113 Å²	113	81.6 Å²	81.6	53%	0.528	42%	0.419	S	S	.	.			trans	-61.4	129	-177.4	-78.1	-174.6	175.7	0	0	112.4	R345 T348	R345-E350 HydrophobicContact CB-CB 4.49Å; R345-E350 HydrophobicContact CG-CB 4.29Å; R345-E350 PolarHBondContact O-N 3.07Å; T348-E350 PolarHBondContact O-N 3.25Å; T348-E350 WeakPolarHBondContact OG1-CB 3.46Å; T348-E350 WeakPolarHBondContact OG1-CG 3.43Å; T348-E350 PolarHBondContact OG1-N 2.66Å
351	K	93.5	Very high	93.1	Very high	126 Å²	126	82.1 Å²	82.1	55%	0.548	43%	0.426	S	S	.	.			trans	-129.4	76.3	177.2	-71.1	167.1	172.6	177.1	0	110.3	G349 Y353 A361 F362	G349-K351 PolarHBondContact O-N 2.94Å; K351-Y353 PolarHBondContact O-N 2.88Å; K351-Y353 VanDerWaalsContact O-N 3.08Å; K351-A361 HydrophobicContact CB-CB 3.51Å; K351-A361 HydrophobicContact CD-CB 4.17Å; K351-A361 WeakPolarHBondContact CD-O 3.47Å; K351-A361 HydrophobicContact CG-CB 4.45Å; K351-F362 CarbonylContact C-O 3.56Å; K351-F362 VanDerWaalsContact C-O 3.29Å; K351-F362 VanDerWaalsContact CA-O 3.32Å; K351-F362 WeakPolarHBondContact CA-O 3.41Å
352	P	92.2	Very high	93.2	Very high	75 Å²	75	80.1 Å²	80.1	49%	0.487	41%	0.411	S	S	.	.			trans	-67.1	-13	-172.1	-21.3	34.1	0	0	0	114.8
353	Y	94.5	Very high	93.2	Very high	91 Å²	91	79.3 Å²	79.3	36%	0.357	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	97.4	-174.2	-58.5	-80.4	0	0	0	110.3	K351 A361 F362 S364 G365	K351-Y353 PolarHBondContact O-N 2.88Å; K351-Y353 VanDerWaalsContact O-N 3.08Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.31Å; Y353-F362 PolarHBondContact N-O 3.32Å; Y353-F362 PolarHBondContact O-N 3.11Å; Y353-S364 VanDerWaalsContact CD2-CA 3.45Å; Y353-G365 VanDerWaalsContact CD2-N 3.31Å; Y353-G365 VanDerWaalsContact CE2-N 3.26Å
354	E	95.5	Very high	93.1	Very high	125 Å²	125	79.2 Å²	79.2	58%	0.584	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	137.3	-179.6	-167.1	-179.6	163.1	0	0	112.3
355	C	95	Very high	93.1	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.408	C	S	.	.			trans	-79.9	117.9	169.9	-179.1	0	0	0	0	110.3	E357 C358 G359 K360 F362 L368 H375	C355-E357 PolarHBondContact O-N 3.04Å; C355-C358 PolarHBondContact O-N 3.25Å; C355-C358 VanDerWaalsContact SG-SG 3.69Å; C355-G359 VanDerWaalsContact O-CA 3.26Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.94Å; C355-K360 WeakPolarHBondContact CB-O 3.35Å; C355-K360 PolarHBondContact N-O 3.4Å; C355-F362 HydrophobicContact CB-CE2 4.39Å; C355-L368 HydrophobicContact CB-CD1 3.68Å; C355-H375 VanDerWaalsContact SG-CD2 3.59Å; C355-H375 PolarHBondContact SG-NE2 2.94Å; C355-H375 VanDerWaalsContact SG-NE2 3.38Å
356	K	93	Very high	92.9	Very high	206 Å²	206	78.5 Å²	78.5	90%	0.896	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.3	-179.6	-63.4	-171.8	177.5	-174.6	0	114.3
357	E	91.9	Very high	92.9	Very high	124 Å²	124	74.4 Å²	74.4	58%	0.579	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-30.9	-175.4	-68.6	168.1	149.2	0	0	113.1	C355 H375	C355-E357 PolarHBondContact O-N 3.04Å; E357-H375 WeakPolarHBondContact OE2-CB 3.5Å; E357-H375 IonicContact OE2-CD2 2.93Å; E357-H375 PolarHBondContact OE2-CD2 3.33Å; E357-H375 IonicContact OE2-CG 3.09Å; E357-H375 IonicContact OE2-NE2 3.95Å
358	C	93.9	Very high	92.9	Very high	64 Å²	64	71.8 Å²	71.8	43%	0.432	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	3.8	-177.1	71.3	0	0	0	0	114.8	C355 K360 H371 H375	C355-C358 PolarHBondContact O-N 3.25Å; C355-C358 VanDerWaalsContact SG-SG 3.69Å; C358-K360 PolarHBondContact O-N 3.4Å; C358-K360 WeakPolarHBondContact SG-CB 3.49Å; C358-H371 PolarHBondContact SG-NE2 3.5Å; C358-H375 PolarHBondContact SG-NE2 3.06Å
359	G	92.1	Very high	93	Very high	40 Å²	40	71.2 Å²	71.2	41%	0.412	40%	0.398	S	S	.	.			trans	67.5	1.9	-177.5	0	0	0	0	0	114.6	C355 A361	C355-G359 VanDerWaalsContact O-CA 3.26Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.94Å; G359-A361 PolarHBondContact O-N 3.33Å
360	K	94.8	Very high	93.1	Very high	122 Å²	122	71.6 Å²	71.6	53%	0.53	39%	0.389	S	S	.	.			trans	-71.7	123	-176.6	-166.9	168	-176.5	171.3	0	110.3	C355 C358 F362	C355-K360 WeakPolarHBondContact CB-O 3.35Å; C355-K360 PolarHBondContact N-O 3.4Å; C358-K360 PolarHBondContact O-N 3.4Å; C358-K360 WeakPolarHBondContact SG-CB 3.49Å; K360-F362 HydrophobicContact CB-CE2 4.09Å; K360-F362 HydrophobicContact CB-CZ 4.22Å; K360-F362 HydrophobicContact CD-CE1 4.48Å; K360-F362 HydrophobicContact CD-CZ 3.84Å; K360-F362 HydrophobicContact CG-CE1 4.49Å; K360-F362 HydrophobicContact CG-CE2 4.01Å; K360-F362 HydrophobicContact CG-CZ 3.75Å; K360-F362 WeakPolarHBondContact O-CD2 3.36Å; K360-F362 WeakPolarHBondContact O-CE2 3.45Å
361	A	94.8	Very high	93.2	Very high	32 Å²	32	67.3 Å²	67.3	26%	0.264	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.2	-179.2	0	0	0	0	0	113.2	K351 Y353 G359	K351-A361 HydrophobicContact CB-CB 3.51Å; K351-A361 HydrophobicContact CD-CB 4.17Å; K351-A361 WeakPolarHBondContact CD-O 3.47Å; K351-A361 HydrophobicContact CG-CB 4.45Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.31Å; G359-A361 PolarHBondContact O-N 3.33Å
362	F	93.8	Very high	93.2	Very high	33 Å²	33	64.9 Å²	64.9	15%	0.145	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.8	-176.8	-59.5	-88.8	0	0	0	111.9	K351 Y353 C355 K360 S364 A367 L368 H371	K351-F362 CarbonylContact C-O 3.56Å; K351-F362 VanDerWaalsContact C-O 3.29Å; K351-F362 VanDerWaalsContact CA-O 3.32Å; K351-F362 WeakPolarHBondContact CA-O 3.41Å; Y353-F362 PolarHBondContact N-O 3.32Å; Y353-F362 PolarHBondContact O-N 3.11Å; C355-F362 HydrophobicContact CB-CE2 4.39Å; K360-F362 HydrophobicContact CB-CE2 4.09Å; K360-F362 HydrophobicContact CB-CZ 4.22Å; K360-F362 HydrophobicContact CD-CE1 4.48Å; K360-F362 HydrophobicContact CD-CZ 3.84Å; K360-F362 HydrophobicContact CG-CE1 4.49Å; K360-F362 HydrophobicContact CG-CE2 4.01Å; K360-F362 HydrophobicContact CG-CZ 3.75Å; K360-F362 WeakPolarHBondContact O-CD2 3.36Å; K360-F362 WeakPolarHBondContact O-CE2 3.45Å; F362-S364 VanDerWaalsContact C-N 3.29Å; F362-S364 PolarHBondContact O-N 3.38Å; F362-A367 HydrophobicContact CB-CB 4.13Å; F362-A367 HydrophobicContact CD1-CB 3.94Å; F362-A367 HydrophobicContact CG-CB 4.28Å; F362-L368 HydrophobicContact CB-CB 4.41Å; F362-L368 HydrophobicContact CD2-CB 3.98Å; F362-L368 HydrophobicContact CD2-CD1 3.91Å; F362-L368 HydrophobicContact CE2-CD1 4.11Å; F362-L368 HydrophobicContact CG-CB 4.39Å; F362-H371 HydrophobicContact CE1-CB 3.93Å; F362-H371 HydrophobicContact CE2-CB 3.74Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.21Å; F362-H371 AromaticContact CE2-CG 3.54Å; F362-H371 HydrophobicContact CZ-CB 3.34Å; F362-H371 AromaticContact CZ-CD2 3.44Å; F362-H371 VanDerWaalsContact CZ-CD2 3.44Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.38Å; F362-H371 AromaticContact CZ-CG 3.15Å; F362-H371 AromaticContact CZ-ND1 3.66Å
363	S	91.6	Very high	93.2	Very high	42 Å²	42	63.3 Å²	63.3	29%	0.294	34%	0.343	S	S	.	.	S	Bend	trans	-78.6	-9.9	177.8	61.2	0	0	0	0	113.7	R345	R345-S363 WeakPolarHBondContact CD-O 3.14Å; R345-S363 PolarHBondContact NH1-O 3.23Å
364	S	92.7	Very high	93.1	Very high	20 Å²	20	64.8 Å²	64.8	14%	0.14	36%	0.356	C	S	.	.	S	Bend	trans	-145.6	145.8	179.2	71.3	0	0	0	0	112.9	Y353 F362 S366 A367 L368	Y353-S364 VanDerWaalsContact CD2-CA 3.45Å; F362-S364 VanDerWaalsContact C-N 3.29Å; F362-S364 PolarHBondContact O-N 3.38Å; S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.28Å; S364-A367 WeakPolarHBondContact O-CB 3.49Å; S364-A367 PolarHBondContact O-N 3.06Å; S364-A367 VanDerWaalsContact O-N 3.14Å; S364-A367 WeakPolarHBondContact OG-CB 3.36Å; S364-A367 PolarHBondContact OG-N 3.37Å; S364-L368 PolarHBondContact O-N 3.45Å
365	G	92.4	Very high	92.9	Very high	22 Å²	22	62.3 Å²	62.3	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-37.6	-179.8	0	0	0	0	0	112.7	Y353 A367 L368 T369	Y353-G365 VanDerWaalsContact CD2-N 3.31Å; Y353-G365 VanDerWaalsContact CE2-N 3.26Å; G365-A367 VanDerWaalsContact C-N 3.28Å; G365-A367 PolarHBondContact O-N 3.17Å; G365-L368 WeakPolarHBondContact O-CB 3.36Å; G365-L368 PolarHBondContact O-N 3.26Å; G365-L368 VanDerWaalsContact O-N 3.13Å; G365-T369 PolarHBondContact O-N 3.48Å; G365-T369 PolarHBondContact O-OG1 3.43Å; G365-T369 VanDerWaalsContact O-OG1 3.12Å
366	S	91	Very high	92.7	Very high	90 Å²	90	66 Å²	66	63%	0.629	37%	0.367	S	S	*	.	H	α-helix	trans	-62.9	-34.3	176.7	-49.1	0	0	0	0	112.9	S364 N370	S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.28Å; S366-N370 WeakPolarHBondContact O-CB 3.32Å; S366-N370 VanDerWaalsContact O-CG 3.31Å; S366-N370 PolarHBondContact O-N 3.15Å; S366-N370 PolarHBondContact O-ND2 2.86Å
367	A	91.7	Very high	92.5	Very high	33 Å²	33	58.4 Å²	58.4	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-39.5	174.6	0	0	0	0	0	111.4	F362 S364 G365 N370 H371	F362-A367 HydrophobicContact CB-CB 4.13Å; F362-A367 HydrophobicContact CD1-CB 3.94Å; F362-A367 HydrophobicContact CG-CB 4.28Å; S364-A367 WeakPolarHBondContact O-CB 3.49Å; S364-A367 PolarHBondContact O-N 3.06Å; S364-A367 VanDerWaalsContact O-N 3.14Å; S364-A367 WeakPolarHBondContact OG-CB 3.36Å; S364-A367 PolarHBondContact OG-N 3.37Å; G365-A367 VanDerWaalsContact C-N 3.28Å; G365-A367 PolarHBondContact O-N 3.17Å; A367-N370 PolarHBondContact O-N 3.34Å; A367-H371 WeakPolarHBondContact O-CB 3.32Å; A367-H371 PolarHBondContact O-N 2.85Å
368	L	94.4	Very high	92.5	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-49.3	172.4	172.3	61.9	0	0	0	111.5	C355 F362 S364 G365 N370 H371 Q372	C355-L368 HydrophobicContact CB-CD1 3.68Å; F362-L368 HydrophobicContact CB-CB 4.41Å; F362-L368 HydrophobicContact CD2-CB 3.98Å; F362-L368 HydrophobicContact CD2-CD1 3.91Å; F362-L368 HydrophobicContact CE2-CD1 4.11Å; F362-L368 HydrophobicContact CG-CB 4.39Å; S364-L368 PolarHBondContact O-N 3.45Å; G365-L368 WeakPolarHBondContact O-CB 3.36Å; G365-L368 PolarHBondContact O-N 3.26Å; G365-L368 VanDerWaalsContact O-N 3.13Å; L368-N370 VanDerWaalsContact C-N 3.3Å; L368-N370 PolarHBondContact O-N 3.3Å; L368-H371 WeakPolarHBondContact O-CA 3.4Å; L368-H371 WeakPolarHBondContact O-CB 3.03Å; L368-H371 PolarHBondContact O-N 3.38Å; L368-Q372 HydrophobicContact CD1-CG 4.08Å; L368-Q372 HydrophobicContact CG-CG 4.47Å; L368-Q372 WeakPolarHBondContact O-CG 3.41Å; L368-Q372 PolarHBondContact O-N 3.29Å
369	T	92.8	Very high	92.4	Very high	69 Å²	69	60.6 Å²	60.6	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-42.6	178.5	-55.5	0	0	0	0	111.9	G365 H371 Q372	G365-T369 PolarHBondContact O-N 3.48Å; G365-T369 PolarHBondContact O-OG1 3.43Å; G365-T369 VanDerWaalsContact O-OG1 3.12Å; T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 2.96Å; T369-Q372 PolarHBondContact O-N 2.86Å
370	N	92.2	Very high	92.4	Very high	56 Å²	56	62.3 Å²	62.3	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-34	175.7	-75	-18.1	0	0	0	112.4	S366 A367 L368	S366-N370 WeakPolarHBondContact O-CB 3.32Å; S366-N370 VanDerWaalsContact O-CG 3.31Å; S366-N370 PolarHBondContact O-N 3.15Å; S366-N370 PolarHBondContact O-ND2 2.86Å; A367-N370 PolarHBondContact O-N 3.34Å; L368-N370 VanDerWaalsContact C-N 3.3Å; L368-N370 PolarHBondContact O-N 3.3Å
371	H	94	Very high	92.4	Very high	22 Å²	22	60.1 Å²	60.1	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-40.1	176.8	170.8	66.1	0	0	0	112.4	C358 F362 A367 L368 T369 R373 I374 H375	C358-H371 PolarHBondContact SG-NE2 3.5Å; F362-H371 HydrophobicContact CE1-CB 3.93Å; F362-H371 HydrophobicContact CE2-CB 3.74Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.21Å; F362-H371 AromaticContact CE2-CG 3.54Å; F362-H371 HydrophobicContact CZ-CB 3.34Å; F362-H371 AromaticContact CZ-CD2 3.44Å; F362-H371 VanDerWaalsContact CZ-CD2 3.44Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.38Å; F362-H371 AromaticContact CZ-CG 3.15Å; F362-H371 AromaticContact CZ-ND1 3.66Å; A367-H371 WeakPolarHBondContact O-CB 3.32Å; A367-H371 PolarHBondContact O-N 2.85Å; L368-H371 WeakPolarHBondContact O-CA 3.4Å; L368-H371 WeakPolarHBondContact O-CB 3.03Å; L368-H371 PolarHBondContact O-N 3.38Å; T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 2.96Å; H371-R373 PolarHBondContact O-N 3.17Å; H371-R373 VanDerWaalsContact O-N 3.11Å; H371-I374 VanDerWaalsContact O-CB 3.27Å; H371-I374 WeakPolarHBondContact O-CB 3.34Å; H371-I374 WeakPolarHBondContact O-CG1 3.06Å; H371-I374 PolarHBondContact O-N 3.46Å; H371-H375 AromaticContact CE1-NE2 3.81Å; H371-H375 AromaticContact NE2-NE2 3.29Å; H371-H375 PolarHBondContact NE2-NE2 3.48Å
372	Q	92.9	Very high	92.4	Very high	75 Å²	75	64.5 Å²	64.5	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-57.2	-27.6	178.3	-75.3	173.2	-38.3	0	0	112.6	L368 T369 I374 H375 T376	L368-Q372 HydrophobicContact CD1-CG 4.08Å; L368-Q372 HydrophobicContact CG-CG 4.47Å; L368-Q372 WeakPolarHBondContact O-CG 3.41Å; L368-Q372 PolarHBondContact O-N 3.29Å; T369-Q372 PolarHBondContact O-N 2.86Å; Q372-I374 PolarHBondContact O-N 2.98Å; Q372-I374 VanDerWaalsContact O-N 3.16Å; Q372-H375 PolarHBondContact O-N 3.44Å; Q372-T376 PolarHBondContact O-N 3.48Å; Q372-T376 VanDerWaalsContact O-N 3.1Å
373	R	92.9	Very high	92.5	Very high	42 Å²	42	63 Å²	63	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-18.1	173.8	-63.4	-178.4	179.2	157.1	4.2	114.4	H371 H375 T376 G377 E378 T391	H371-R373 PolarHBondContact O-N 3.17Å; H371-R373 VanDerWaalsContact O-N 3.11Å; R373-H375 VanDerWaalsContact C-N 3.32Å; R373-T376 WeakPolarHBondContact CA-OG1 3.49Å; R373-G377 WeakPolarHBondContact O-CA 3.23Å; R373-G377 PolarHBondContact O-N 3.46Å; R373-G377 VanDerWaalsContact O-N 3.07Å; R373-E378 HydrophobicContact CG-CB 4.43Å; R373-T391 HydrophobicContact CB-CG2 4.42Å; R373-T391 WeakPolarHBondContact CD-O 3.44Å; R373-T391 PolarHBondContact NH1-O 3.39Å
374	I	91.2	Very high	92.5	Very high	123 Å²	123	71 Å²	71	63%	0.631	38%	0.38	S	S	*	.	H	α-helix	trans	-70	-35.5	173.1	-61.6	177.1	0	0	0	110.3	H371 Q372	H371-I374 VanDerWaalsContact O-CB 3.27Å; H371-I374 WeakPolarHBondContact O-CB 3.34Å; H371-I374 WeakPolarHBondContact O-CG1 3.06Å; H371-I374 PolarHBondContact O-N 3.46Å; Q372-I374 PolarHBondContact O-N 2.98Å; Q372-I374 VanDerWaalsContact O-N 3.16Å
375	H	92.3	Very high	92.5	Very high	72 Å²	72	76.5 Å²	76.5	33%	0.333	40%	0.404	S	S	.	.	H	α-helix	trans	-83.4	-42.7	-178.8	-58.2	-54.7	0	0	0	111.8	C355 E357 C358 H371 Q372 R373 G377	C355-H375 VanDerWaalsContact SG-CD2 3.59Å; C355-H375 PolarHBondContact SG-NE2 2.94Å; C355-H375 VanDerWaalsContact SG-NE2 3.38Å; E357-H375 WeakPolarHBondContact OE2-CB 3.5Å; E357-H375 IonicContact OE2-CD2 2.93Å; E357-H375 PolarHBondContact OE2-CD2 3.33Å; E357-H375 IonicContact OE2-CG 3.09Å; E357-H375 IonicContact OE2-NE2 3.95Å; C358-H375 PolarHBondContact SG-NE2 3.06Å; H371-H375 AromaticContact CE1-NE2 3.81Å; H371-H375 AromaticContact NE2-NE2 3.29Å; H371-H375 PolarHBondContact NE2-NE2 3.48Å; Q372-H375 PolarHBondContact O-N 3.44Å; R373-H375 VanDerWaalsContact C-N 3.32Å; H375-G377 VanDerWaalsContact C-N 3.25Å; H375-G377 PolarHBondContact O-N 3.49Å
376	T	89.8	Confident	92.5	Very high	77 Å²	77	78.5 Å²	78.5	47%	0.472	41%	0.414	S	S	.	.	H	α-helix	trans	-75	-17.2	177.6	64.7	0	0	0	0	113.1	Q372 R373 E378	Q372-T376 PolarHBondContact O-N 3.48Å; Q372-T376 VanDerWaalsContact O-N 3.1Å; R373-T376 WeakPolarHBondContact CA-OG1 3.49Å; T376-E378 PolarHBondContact O-N 3.06Å; T376-E378 WeakPolarHBondContact OG1-CB 3.32Å; T376-E378 WeakPolarHBondContact OG1-CG 3.46Å; T376-E378 PolarHBondContact OG1-N 3.11Å
377	G	89.2	Confident	92.6	Very high	48 Å²	48	76.1 Å²	76.1	50%	0.495	40%	0.403	S	S	.	.			trans	68.2	6.2	-172.9	0	0	0	0	0	114	R373 H375 K379	R373-G377 WeakPolarHBondContact O-CA 3.23Å; R373-G377 PolarHBondContact O-N 3.46Å; R373-G377 VanDerWaalsContact O-N 3.07Å; H375-G377 VanDerWaalsContact C-N 3.25Å; H375-G377 PolarHBondContact O-N 3.49Å; G377-K379 PolarHBondContact O-N 2.94Å
378	E	91.6	Very high	92.7	Very high	111 Å²	111	80.4 Å²	80.4	52%	0.519	42%	0.415	S	S	.	.			trans	-61.5	126.9	-177.5	-79.1	-175.6	176.3	0	0	112	R373 T376	R373-E378 HydrophobicContact CG-CB 4.43Å; T376-E378 PolarHBondContact O-N 3.06Å; T376-E378 WeakPolarHBondContact OG1-CB 3.32Å; T376-E378 WeakPolarHBondContact OG1-CG 3.46Å; T376-E378 PolarHBondContact OG1-N 3.11Å
379	K	93	Very high	92.7	Very high	123 Å²	123	80.8 Å²	80.8	54%	0.535	42%	0.422	S	S	.	.			trans	-125.7	75.9	176.4	-69.2	169	177.1	-178.1	0	110.5	G377 Y381 A389 F390 T391	G377-K379 PolarHBondContact O-N 2.94Å; K379-Y381 PolarHBondContact O-N 3.39Å; K379-Y381 VanDerWaalsContact O-N 3.08Å; K379-A389 HydrophobicContact CB-CB 3.56Å; K379-A389 HydrophobicContact CD-CB 4.18Å; K379-A389 WeakPolarHBondContact CD-O 3.37Å; K379-A389 HydrophobicContact CG-CB 4.48Å; K379-F390 CarbonylContact C-O 3.58Å; K379-F390 VanDerWaalsContact C-O 3.25Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.38Å; K379-T391 HydrophobicContact CG-CG2 3.97Å
380	P	91.4	Very high	92.8	Very high	75 Å²	75	78.9 Å²	78.9	49%	0.487	41%	0.408	S	S	.	.			trans	-67.8	-11.6	-172	-20.7	33.9	0	0	0	114.9
381	Y	94.7	Very high	92.8	Very high	77 Å²	77	77.6 Å²	77.6	30%	0.302	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	95.6	-172.5	-57.1	-74.9	0	0	0	110.5	K379 A389 F390 S393	K379-Y381 PolarHBondContact O-N 3.39Å; K379-Y381 VanDerWaalsContact O-N 3.08Å; Y381-A389 CarbonylContact O-C 3.48Å; Y381-A389 WeakPolarHBondContact O-CA 3.32Å; Y381-F390 PolarHBondContact N-O 3.21Å; Y381-F390 PolarHBondContact O-N 3.07Å; Y381-S393 VanDerWaalsContact CD2-N 3.3Å
382	E	95.2	Very high	92.7	Very high	123 Å²	123	79.5 Å²	79.5	58%	0.575	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.4	-179	-166.7	-178.4	162.7	0	0	112.5	A389	E382-A389 HydrophobicContact CB-CB 4.46Å; E382-A389 HydrophobicContact CG-CB 4.45Å
383	C	94.8	Very high	92.8	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.007	41%	0.414	C	S	.	.			trans	-78.1	119.2	168.4	-178	0	0	0	0	110.1	E385 G387 K388 L396	C383-E385 PolarHBondContact O-N 2.88Å; C383-G387 VanDerWaalsContact O-CA 3.23Å; C383-G387 WeakPolarHBondContact O-CA 3.15Å; C383-G387 PolarHBondContact O-N 2.91Å; C383-K388 WeakPolarHBondContact CB-O 3.33Å; C383-K388 PolarHBondContact N-O 3.01Å; C383-L396 HydrophobicContact CB-CD1 3.73Å
384	K	92.9	Very high	92.7	Very high	210 Å²	210	79.9 Å²	79.9	91%	0.913	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.2	179.2	-64	-171.1	176.3	-172.8	0	114.2
385	E	91.5	Very high	92.8	Very high	136 Å²	136	77.2 Å²	77.2	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-34.3	-176	-65.4	-178.3	-151.5	0	0	113.3	C383 H403	C383-E385 PolarHBondContact O-N 2.88Å; E385-H403 WeakPolarHBondContact OE2-CB 3.33Å; E385-H403 IonicContact OE2-CD2 3.87Å; E385-H403 IonicContact OE2-CE1 3.07Å; E385-H403 IonicContact OE2-CG 3.89Å; E385-H403 IonicContact OE2-ND1 3.94Å; E385-H403 PolarHBondContact OE2-ND1 3.44Å; E385-H403 VanDerWaalsContact OE2-ND1 3.12Å
386	C	93.8	Very high	92.9	Very high	65 Å²	65	75 Å²	75	44%	0.439	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	3.6	-178.8	69	0	0	0	0	114.8	K388 H399	C386-K388 PolarHBondContact O-N 3.26Å; C386-K388 VanDerWaalsContact O-N 3.07Å; C386-K388 WeakPolarHBondContact SG-CB 3.47Å; C386-H399 PolarHBondContact SG-NE2 2.91Å
387	G	92.1	Very high	93	Very high	39 Å²	39	79.3 Å²	79.3	40%	0.402	41%	0.411	S	S	.	.			trans	68.5	1.2	-177.6	0	0	0	0	0	114.5	C383 A389	C383-G387 VanDerWaalsContact O-CA 3.23Å; C383-G387 WeakPolarHBondContact O-CA 3.15Å; C383-G387 PolarHBondContact O-N 2.91Å; G387-A389 PolarHBondContact O-N 2.83Å
388	K	94.6	Very high	93.2	Very high	123 Å²	123	80.4 Å²	80.4	54%	0.535	40%	0.404	S	S	.	.			trans	-70.3	121.6	-177.1	-167	168.4	-176.2	170	0	110.4	C383 C386 F390	C383-K388 WeakPolarHBondContact CB-O 3.33Å; C383-K388 PolarHBondContact N-O 3.01Å; C386-K388 PolarHBondContact O-N 3.26Å; C386-K388 VanDerWaalsContact O-N 3.07Å; C386-K388 WeakPolarHBondContact SG-CB 3.47Å; K388-F390 HydrophobicContact CB-CE2 4.14Å; K388-F390 HydrophobicContact CB-CZ 4.24Å; K388-F390 HydrophobicContact CD-CE1 4.39Å; K388-F390 HydrophobicContact CD-CZ 3.81Å; K388-F390 HydrophobicContact CG-CE1 4.41Å; K388-F390 HydrophobicContact CG-CE2 4.03Å; K388-F390 HydrophobicContact CG-CZ 3.75Å; K388-F390 WeakPolarHBondContact O-CD2 3.14Å; K388-F390 VanDerWaalsContact O-CE2 3.23Å; K388-F390 WeakPolarHBondContact O-CE2 3.43Å
389	A	94.5	Very high	93.2	Very high	30 Å²	30	76.2 Å²	76.2	25%	0.248	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.9	-179.8	0	0	0	0	0	113	K379 Y381 E382 G387	K379-A389 HydrophobicContact CB-CB 3.56Å; K379-A389 HydrophobicContact CD-CB 4.18Å; K379-A389 WeakPolarHBondContact CD-O 3.37Å; K379-A389 HydrophobicContact CG-CB 4.48Å; Y381-A389 CarbonylContact O-C 3.48Å; Y381-A389 WeakPolarHBondContact O-CA 3.32Å; E382-A389 HydrophobicContact CB-CB 4.46Å; E382-A389 HydrophobicContact CG-CB 4.45Å; G387-A389 PolarHBondContact O-N 2.83Å
390	F	94	Very high	93.2	Very high	28 Å²	28	74.4 Å²	74.4	12%	0.123	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.9	-176.3	-59.4	-87.1	0	0	0	111.9	K379 Y381 K388 Q392 Q395 L396 H399	K379-F390 CarbonylContact C-O 3.58Å; K379-F390 VanDerWaalsContact C-O 3.25Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.38Å; Y381-F390 PolarHBondContact N-O 3.21Å; Y381-F390 PolarHBondContact O-N 3.07Å; K388-F390 HydrophobicContact CB-CE2 4.14Å; K388-F390 HydrophobicContact CB-CZ 4.24Å; K388-F390 HydrophobicContact CD-CE1 4.39Å; K388-F390 HydrophobicContact CD-CZ 3.81Å; K388-F390 HydrophobicContact CG-CE1 4.41Å; K388-F390 HydrophobicContact CG-CE2 4.03Å; K388-F390 HydrophobicContact CG-CZ 3.75Å; K388-F390 WeakPolarHBondContact O-CD2 3.14Å; K388-F390 VanDerWaalsContact O-CE2 3.23Å; K388-F390 WeakPolarHBondContact O-CE2 3.43Å; F390-Q392 VanDerWaalsContact C-N 3.33Å; F390-Q395 HydrophobicContact CB-CB 3.98Å; F390-Q395 HydrophobicContact CD1-CB 3.73Å; F390-Q395 HydrophobicContact CG-CB 4.05Å; F390-L396 HydrophobicContact CB-CB 4.47Å; F390-L396 HydrophobicContact CD2-CB 3.92Å; F390-L396 HydrophobicContact CD2-CD1 3.94Å; F390-L396 HydrophobicContact CE2-CD1 4.07Å; F390-L396 HydrophobicContact CG-CB 4.41Å; F390-H399 HydrophobicContact CE1-CB 4.04Å; F390-H399 HydrophobicContact CE2-CB 3.81Å; F390-H399 AromaticContact CE2-CD2 3.35Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.3Å; F390-H399 AromaticContact CE2-CG 3.63Å; F390-H399 HydrophobicContact CZ-CB 3.38Å; F390-H399 AromaticContact CZ-CD2 3.47Å; F390-H399 VanDerWaalsContact CZ-CD2 3.47Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.27Å; F390-H399 AromaticContact CZ-CG 3.25Å; F390-H399 AromaticContact CZ-ND1 3.83Å
391	T	92.5	Very high	93.2	Very high	30 Å²	30	73.8 Å²	73.8	18%	0.184	37%	0.365	C	S	.	.	S	Bend	trans	-78.2	-20.2	178.2	60	0	0	0	0	112.4	R373 K379 Q395	R373-T391 HydrophobicContact CB-CG2 4.42Å; R373-T391 WeakPolarHBondContact CD-O 3.44Å; R373-T391 PolarHBondContact NH1-O 3.39Å; K379-T391 HydrophobicContact CG-CG2 3.97Å; T391-Q395 PolarHBondContact OG1-OE1 3.35Å
392	Q	92.8	Very high	93	Very high	62 Å²	62	75.6 Å²	75.6	29%	0.29	38%	0.379	S	S	.	.	S	Bend	trans	-135	143	-178	-60.7	-177.6	4.3	0	0	111.7	F390 S394 Q395 L396	F390-Q392 VanDerWaalsContact C-N 3.33Å; Q392-S394 VanDerWaalsContact C-N 3.26Å; Q392-S394 PolarHBondContact O-N 3.39Å; Q392-S394 PolarHBondContact OE1-OG 3.07Å; Q392-Q395 HydrophobicContact CB-CG 4.13Å; Q392-Q395 WeakPolarHBondContact O-CB 3.16Å; Q392-Q395 PolarHBondContact O-N 3.46Å; Q392-Q395 VanDerWaalsContact O-N 3.14Å; Q392-L396 PolarHBondContact O-N 3.39Å
393	S	93.3	Very high	92.7	Very high	59 Å²	59	73 Å²	73	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-29.2	178.7	57.6	0	0	0	0	113.6	Y381 Q395 L396 R397	Y381-S393 VanDerWaalsContact CD2-N 3.3Å; S393-Q395 VanDerWaalsContact C-N 3.33Å; S393-L396 PolarHBondContact O-N 3.3Å; S393-R397 WeakPolarHBondContact O-CB 3.17Å; S393-R397 PolarHBondContact O-N 3.21Å
394	S	92	Very high	92.5	Very high	66 Å²	66	76.1 Å²	76.1	46%	0.462	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-38.3	174.1	50.6	0	0	0	0	112	Q392 Q398	Q392-S394 VanDerWaalsContact C-N 3.26Å; Q392-S394 PolarHBondContact O-N 3.39Å; Q392-S394 PolarHBondContact OE1-OG 3.07Å; S394-Q398 VanDerWaalsContact O-CB 3.3Å; S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 PolarHBondContact O-N 3.01Å
395	Q	93.1	Very high	92.2	Very high	67 Å²	67	68.4 Å²	68.4	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-68	-43.2	175.9	-64.6	170.9	-5.4	0	0	110.6	F390 T391 Q392 S393 Q398 H399	F390-Q395 HydrophobicContact CB-CB 3.98Å; F390-Q395 HydrophobicContact CD1-CB 3.73Å; F390-Q395 HydrophobicContact CG-CB 4.05Å; T391-Q395 PolarHBondContact OG1-OE1 3.35Å; Q392-Q395 HydrophobicContact CB-CG 4.13Å; Q392-Q395 WeakPolarHBondContact O-CB 3.16Å; Q392-Q395 PolarHBondContact O-N 3.46Å; Q392-Q395 VanDerWaalsContact O-N 3.14Å; S393-Q395 VanDerWaalsContact C-N 3.33Å; Q395-Q398 PolarHBondContact O-N 2.86Å; Q395-H399 VanDerWaalsContact O-CB 3.29Å; Q395-H399 WeakPolarHBondContact O-CB 3.48Å; Q395-H399 PolarHBondContact O-N 3.19Å
396	L	94.1	Very high	92.1	Very high	24 Å²	24	67 Å²	67	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-58.8	-50.1	173.5	173.2	60.4	0	0	0	111.2	C383 F390 Q392 S393 Q398 H399 Q400	C383-L396 HydrophobicContact CB-CD1 3.73Å; F390-L396 HydrophobicContact CB-CB 4.47Å; F390-L396 HydrophobicContact CD2-CB 3.92Å; F390-L396 HydrophobicContact CD2-CD1 3.94Å; F390-L396 HydrophobicContact CE2-CD1 4.07Å; F390-L396 HydrophobicContact CG-CB 4.41Å; Q392-L396 PolarHBondContact O-N 3.39Å; S393-L396 PolarHBondContact O-N 3.3Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 3.27Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 3.37Å; L396-H399 VanDerWaalsContact O-N 3.11Å; L396-Q400 HydrophobicContact CD1-CG 4.17Å; L396-Q400 WeakPolarHBondContact O-CG 3.37Å; L396-Q400 PolarHBondContact O-N 3.37Å
397	R	92.7	Very high	92	Very high	169 Å²	169	69.9 Å²	69.9	64%	0.638	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-41.4	178.3	-174.2	-177.4	-60.1	169.6	1.4	112.2	S393 H399 Q400	S393-R397 WeakPolarHBondContact O-CB 3.17Å; S393-R397 PolarHBondContact O-N 3.21Å; R397-H399 VanDerWaalsContact C-N 3.33Å; R397-Q400 PolarHBondContact O-N 3.46Å
398	Q	91.8	Very high	91.8	Very high	71 Å²	71	71.6 Å²	71.6	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-41.6	176.1	176.4	178.9	64.1	0	0	111.4	S394 Q395 L396 R401 Q420	S394-Q398 VanDerWaalsContact O-CB 3.3Å; S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 PolarHBondContact O-N 3.01Å; Q395-Q398 PolarHBondContact O-N 2.86Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 3.27Å; Q398-R401 WeakPolarHBondContact O-CB 3.42Å; Q398-R401 PolarHBondContact O-N 3.48Å; Q398-Q420 HydrophobicContact CG-CG 4.48Å; Q398-Q420 VanDerWaalsContact NE2-NE2 3.16Å; Q398-Q420 VanDerWaalsContact NE2-OE1 3.15Å
399	H	93.3	Very high	91.7	Very high	22 Å²	22	68.5 Å²	68.5	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-38	177.9	166.6	66.7	0	0	0	112.5	C386 F390 Q395 L396 R397 R401 I402 H403	C386-H399 PolarHBondContact SG-NE2 2.91Å; F390-H399 HydrophobicContact CE1-CB 4.04Å; F390-H399 HydrophobicContact CE2-CB 3.81Å; F390-H399 AromaticContact CE2-CD2 3.35Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.3Å; F390-H399 AromaticContact CE2-CG 3.63Å; F390-H399 HydrophobicContact CZ-CB 3.38Å; F390-H399 AromaticContact CZ-CD2 3.47Å; F390-H399 VanDerWaalsContact CZ-CD2 3.47Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.27Å; F390-H399 AromaticContact CZ-CG 3.25Å; F390-H399 AromaticContact CZ-ND1 3.83Å; Q395-H399 VanDerWaalsContact O-CB 3.29Å; Q395-H399 WeakPolarHBondContact O-CB 3.48Å; Q395-H399 PolarHBondContact O-N 3.19Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 3.37Å; L396-H399 VanDerWaalsContact O-N 3.11Å; R397-H399 VanDerWaalsContact C-N 3.33Å; H399-R401 PolarHBondContact O-N 2.94Å; H399-R401 VanDerWaalsContact O-N 3.1Å; H399-I402 VanDerWaalsContact O-CB 3.26Å; H399-I402 WeakPolarHBondContact O-CB 3.37Å; H399-I402 WeakPolarHBondContact O-CG1 3.25Å; H399-I402 PolarHBondContact O-N 3.09Å; H399-H403 AromaticContact CE1-NE2 3.5Å; H399-H403 PolarHBondContact CE1-NE2 3Å; H399-H403 AromaticContact NE2-CD2 3.79Å; H399-H403 AromaticContact NE2-NE2 3.28Å; H399-H403 PolarHBondContact NE2-NE2 2.85Å
400	Q	92	Very high	91.7	Very high	86 Å²	86	73 Å²	73	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-24	175.5	-73.9	175.7	-50	0	0	113.2	L396 R397 I402 H403 A404	L396-Q400 HydrophobicContact CD1-CG 4.17Å; L396-Q400 WeakPolarHBondContact O-CG 3.37Å; L396-Q400 PolarHBondContact O-N 3.37Å; R397-Q400 PolarHBondContact O-N 3.46Å; Q400-I402 PolarHBondContact O-N 2.84Å; Q400-H403 WeakPolarHBondContact O-CB 3.39Å; Q400-H403 PolarHBondContact O-N 3.34Å; Q400-A404 PolarHBondContact O-N 3.42Å
401	R	92.1	Very high	91.6	Very high	62 Å²	62	71.8 Å²	71.8	23%	0.234	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-25.1	172.9	-61.2	180	-179.2	171.6	-2	113.5	Q398 H399 H403 G405 E406 T419	Q398-R401 WeakPolarHBondContact O-CB 3.42Å; Q398-R401 PolarHBondContact O-N 3.48Å; H399-R401 PolarHBondContact O-N 2.94Å; H399-R401 VanDerWaalsContact O-N 3.1Å; R401-H403 VanDerWaalsContact C-N 3.33Å; R401-G405 CarbonylContact O-C 3.5Å; R401-G405 WeakPolarHBondContact O-CA 3.36Å; R401-G405 PolarHBondContact O-N 2.87Å; R401-E406 HydrophobicContact CB-CB 4.17Å; R401-E406 HydrophobicContact CG-CB 4.27Å; R401-E406 PolarHBondContact O-N 3.37Å; R401-E406 VanDerWaalsContact O-N 3.07Å; R401-T419 PolarHBondContact NH1-O 3.48Å
402	I	89.1	Confident	91.6	Very high	114 Å²	114	77.8 Å²	77.8	59%	0.585	40%	0.403	S	S	*	.	H	α-helix	trans	-66.4	-42.6	175.6	-58.2	175.4	0	0	0	109.4	H399 Q400 G405	H399-I402 VanDerWaalsContact O-CB 3.26Å; H399-I402 WeakPolarHBondContact O-CB 3.37Å; H399-I402 WeakPolarHBondContact O-CG1 3.25Å; H399-I402 PolarHBondContact O-N 3.09Å; Q400-I402 PolarHBondContact O-N 2.84Å; I402-G405 PolarHBondContact O-N 3.33Å
403	H	90.7	Very high	91.4	Very high	70 Å²	70	81.5 Å²	81.5	32%	0.324	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-45.2	177.7	-68.2	-69.1	0	0	0	112.4	E385 H399 Q400 R401 G405	E385-H403 WeakPolarHBondContact OE2-CB 3.33Å; E385-H403 IonicContact OE2-CD2 3.87Å; E385-H403 IonicContact OE2-CE1 3.07Å; E385-H403 IonicContact OE2-CG 3.89Å; E385-H403 IonicContact OE2-ND1 3.94Å; E385-H403 PolarHBondContact OE2-ND1 3.44Å; E385-H403 VanDerWaalsContact OE2-ND1 3.12Å; H399-H403 AromaticContact CE1-NE2 3.5Å; H399-H403 PolarHBondContact CE1-NE2 3Å; H399-H403 AromaticContact NE2-CD2 3.79Å; H399-H403 AromaticContact NE2-NE2 3.28Å; H399-H403 PolarHBondContact NE2-NE2 2.85Å; Q400-H403 WeakPolarHBondContact O-CB 3.39Å; Q400-H403 PolarHBondContact O-N 3.34Å; R401-H403 VanDerWaalsContact C-N 3.33Å; H403-G405 PolarHBondContact O-N 3.01Å
404	A	89.3	Confident	91.3	Very high	65 Å²	65	81.3 Å²	81.3	54%	0.537	42%	0.418	S	S	.	.	H	α-helix	trans	-71.8	-10	177.7	0	0	0	0	0	113.5	Q400 E406	Q400-A404 PolarHBondContact O-N 3.42Å; A404-E406 HydrophobicContact CB-CB 4.42Å; A404-E406 HydrophobicContact CB-CG 3.82Å; A404-E406 PolarHBondContact O-N 2.96Å; A404-E406 VanDerWaalsContact O-N 3.14Å
405	G	87	Confident	91.3	Very high	49 Å²	49	80.7 Å²	80.7	51%	0.505	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	10.6	-171.9	0	0	0	0	0	114.1	R401 I402 H403 K407	R401-G405 CarbonylContact O-C 3.5Å; R401-G405 WeakPolarHBondContact O-CA 3.36Å; R401-G405 PolarHBondContact O-N 2.87Å; I402-G405 PolarHBondContact O-N 3.33Å; H403-G405 PolarHBondContact O-N 3.01Å; G405-K407 PolarHBondContact O-N 3.45Å
406	E	89.7	Confident	91.3	Very high	106 Å²	106	83.7 Å²	83.7	50%	0.495	43%	0.434	S	S	.	.			trans	-66.2	120.6	-176.1	-76.5	-178	-176.1	0	0	111.3	R401 A404 P408	R401-E406 HydrophobicContact CB-CB 4.17Å; R401-E406 HydrophobicContact CG-CB 4.27Å; R401-E406 PolarHBondContact O-N 3.37Å; R401-E406 VanDerWaalsContact O-N 3.07Å; A404-E406 HydrophobicContact CB-CB 4.42Å; A404-E406 HydrophobicContact CB-CG 3.82Å; A404-E406 PolarHBondContact O-N 2.96Å; A404-E406 VanDerWaalsContact O-N 3.14Å; E406-P408 WeakPolarHBondContact O-CD 3.5Å
407	K	91.3	Very high	91.2	Very high	125 Å²	125	84.2 Å²	84.2	54%	0.543	44%	0.442	S	S	.	.			trans	-123.7	75.3	174.2	-67.4	171.7	174.4	-175	0	110.5	G405 F409 A417 F418 T419	G405-K407 PolarHBondContact O-N 3.45Å; K407-F409 PolarHBondContact O-N 2.9Å; K407-F409 VanDerWaalsContact O-N 3.14Å; K407-A417 HydrophobicContact CB-CB 3.53Å; K407-A417 HydrophobicContact CD-CB 4.17Å; K407-A417 WeakPolarHBondContact CD-O 3.38Å; K407-A417 HydrophobicContact CG-CB 4.47Å; K407-F418 CarbonylContact C-O 3.34Å; K407-F418 VanDerWaalsContact C-O 3.29Å; K407-F418 VanDerWaalsContact CA-O 3.3Å; K407-F418 WeakPolarHBondContact CA-O 3.49Å; K407-T419 HydrophobicContact CG-CG2 3.97Å
408	P	88.8	Confident	91.2	Very high	76 Å²	76	78.1 Å²	78.1	49%	0.494	42%	0.42	S	S	.	.			trans	-69.6	-12.4	-171.1	-19.3	33.3	0	0	0	114.8	E406	E406-P408 WeakPolarHBondContact O-CD 3.5Å
409	F	92.2	Very high	91.1	Very high	57 Å²	57	76 Å²	76	25%	0.25	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	95.8	-173.7	-58.7	-77	0	0	0	109.9	K407 A417 F418 Q420 N421 L424	K407-F409 PolarHBondContact O-N 2.9Å; K407-F409 VanDerWaalsContact O-N 3.14Å; F409-A417 CarbonylContact O-C 3.55Å; F409-A417 WeakPolarHBondContact O-CA 3.06Å; F409-F418 HydrophobicContact CB-CB 4.41Å; F409-F418 PolarHBondContact N-O 3.42Å; F409-F418 PolarHBondContact O-N 2.73Å; F409-Q420 VanDerWaalsContact CD2-C 3.42Å; F409-N421 HydrophobicContact CD1-CB 3.84Å; F409-N421 HydrophobicContact CE1-CB 3.63Å; F409-N421 HydrophobicContact CE2-CB 4.31Å; F409-N421 HydrophobicContact CG-CB 4.28Å; F409-N421 HydrophobicContact CZ-CB 3.87Å; F409-L424 HydrophobicContact CB-CB 4.03Å; F409-L424 HydrophobicContact CB-CD2 3.85Å
410	E	93.1	Very high	91	Very high	126 Å²	126	77.6 Å²	77.6	59%	0.589	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.2	178	64.8	-175.9	178.6	0	0	112.5	L412 A417	E410-L412 HydrophobicContact CG-CD2 4.48Å; E410-A417 HydrophobicContact CB-CB 4.44Å
411	C	93.3	Very high	90.9	Very high	1 Å²	1	78 Å²	78	1%	0.007	43%	0.425	C	S	.	.			trans	-82.4	118.6	168.7	179.6	0	0	0	0	109.2	E413 C414 G415 K416 F418 L424 H431	C411-E413 PolarHBondContact O-N 3.13Å; C411-C414 PolarHBondContact O-N 2.6Å; C411-C414 VanDerWaalsContact SG-SG 3.68Å; C411-G415 VanDerWaalsContact O-CA 3.23Å; C411-G415 WeakPolarHBondContact O-CA 3.42Å; C411-G415 PolarHBondContact O-N 3Å; C411-K416 WeakPolarHBondContact CB-O 3.39Å; C411-K416 PolarHBondContact N-O 3.23Å; C411-F418 HydrophobicContact CB-CE2 4.49Å; C411-L424 HydrophobicContact CB-CD1 3.63Å; C411-H431 PolarHBondContact SG-NE2 3.25Å; C411-H431 VanDerWaalsContact SG-NE2 3.37Å
412	L	91.1	Very high	90.8	Very high	156 Å²	156	78.5 Å²	78.5	82%	0.817	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.1	-179.4	-60.2	179.6	0	0	0	113.2	E410	E410-L412 HydrophobicContact CG-CD2 4.48Å
413	E	89.2	Confident	90.9	Very high	141 Å²	141	76.3 Å²	76.3	66%	0.659	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-30.6	-177	-66.1	178.1	152.1	0	0	113.3	C411 H431	C411-E413 PolarHBondContact O-N 3.13Å; E413-H431 WeakPolarHBondContact OE2-CB 2.91Å; E413-H431 IonicContact OE2-CD2 2.93Å; E413-H431 PolarHBondContact OE2-CD2 2.99Å; E413-H431 IonicContact OE2-CG 3.05Å; E413-H431 IonicContact OE2-NE2 3.85Å
414	C	92.4	Very high	91	Very high	54 Å²	54	73.7 Å²	73.7	37%	0.365	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	1.6	-175.9	75.9	0	0	0	0	114.9	C411 K416 H427	C411-C414 PolarHBondContact O-N 2.6Å; C411-C414 VanDerWaalsContact SG-SG 3.68Å; C414-K416 PolarHBondContact O-N 3.31Å; C414-K416 VanDerWaalsContact O-N 3.09Å; C414-K416 VanDerWaalsContact SG-CB 3.56Å; C414-K416 VanDerWaalsContact SG-CG 3.58Å; C414-H427 PolarHBondContact SG-NE2 3.42Å
415	G	90	Very high	91	Very high	53 Å²	53	76.2 Å²	76.2	55%	0.546	41%	0.412	S	S	.	.			trans	69.4	-0.8	-178.6	0	0	0	0	0	115.2	C411 A417	C411-G415 VanDerWaalsContact O-CA 3.23Å; C411-G415 WeakPolarHBondContact O-CA 3.42Å; C411-G415 PolarHBondContact O-N 3Å; G415-A417 PolarHBondContact O-N 3.13Å
416	K	93.4	Very high	91.1	Very high	130 Å²	130	77.3 Å²	77.3	57%	0.565	40%	0.404	S	S	*	.			trans	-66.5	123.7	179.6	-72.8	-178.7	-179.6	178.1	0	110.3	C411 C414 F418	C411-K416 WeakPolarHBondContact CB-O 3.39Å; C411-K416 PolarHBondContact N-O 3.23Å; C414-K416 PolarHBondContact O-N 3.31Å; C414-K416 VanDerWaalsContact O-N 3.09Å; C414-K416 VanDerWaalsContact SG-CB 3.56Å; C414-K416 VanDerWaalsContact SG-CG 3.58Å; K416-F418 HydrophobicContact CB-CE2 3.94Å; K416-F418 HydrophobicContact CB-CZ 3.96Å; K416-F418 WeakPolarHBondContact O-CD2 3.47Å; K416-F418 VanDerWaalsContact O-CE2 3.25Å; K416-F418 WeakPolarHBondContact O-CE2 3.08Å
417	A	92.7	Very high	91.1	Very high	36 Å²	36	73.5 Å²	73.5	30%	0.298	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.7	179.1	0	0	0	0	0	112.2	K407 F409 E410 G415	K407-A417 HydrophobicContact CB-CB 3.53Å; K407-A417 HydrophobicContact CD-CB 4.17Å; K407-A417 WeakPolarHBondContact CD-O 3.38Å; K407-A417 HydrophobicContact CG-CB 4.47Å; F409-A417 CarbonylContact O-C 3.55Å; F409-A417 WeakPolarHBondContact O-CA 3.06Å; E410-A417 HydrophobicContact CB-CB 4.44Å; G415-A417 PolarHBondContact O-N 3.13Å
418	F	92.1	Very high	91	Very high	40 Å²	40	71.4 Å²	71.4	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.9	-175.6	-58.5	-85.4	0	0	0	111.5	K407 F409 C411 K416 Q420 Q423 L424 H427	K407-F418 CarbonylContact C-O 3.34Å; K407-F418 VanDerWaalsContact C-O 3.29Å; K407-F418 VanDerWaalsContact CA-O 3.3Å; K407-F418 WeakPolarHBondContact CA-O 3.49Å; F409-F418 HydrophobicContact CB-CB 4.41Å; F409-F418 PolarHBondContact N-O 3.42Å; F409-F418 PolarHBondContact O-N 2.73Å; C411-F418 HydrophobicContact CB-CE2 4.49Å; K416-F418 HydrophobicContact CB-CE2 3.94Å; K416-F418 HydrophobicContact CB-CZ 3.96Å; K416-F418 WeakPolarHBondContact O-CD2 3.47Å; K416-F418 VanDerWaalsContact O-CE2 3.25Å; K416-F418 WeakPolarHBondContact O-CE2 3.08Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; F418-Q423 HydrophobicContact CB-CB 3.94Å; F418-Q423 HydrophobicContact CD1-CB 3.73Å; F418-Q423 HydrophobicContact CG-CB 4.01Å; F418-L424 HydrophobicContact CB-CB 4.49Å; F418-L424 HydrophobicContact CD2-CB 3.89Å; F418-L424 HydrophobicContact CD2-CD1 3.95Å; F418-L424 HydrophobicContact CE2-CD1 4.07Å; F418-L424 HydrophobicContact CG-CB 4.42Å; F418-H427 HydrophobicContact CE1-CB 4.08Å; F418-H427 HydrophobicContact CE2-CB 3.74Å; F418-H427 AromaticContact CE2-CD2 3.5Å; F418-H427 VanDerWaalsContact CE2-CD2 3.5Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.46Å; F418-H427 AromaticContact CE2-CG 3.66Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.55Å; F418-H427 AromaticContact CZ-CG 3.27Å; F418-H427 AromaticContact CZ-ND1 3.91Å
419	T	90.4	Very high	91.1	Very high	28 Å²	28	69.6 Å²	69.6	17%	0.172	36%	0.362	C	S	.	.	S	Bend	trans	-80.6	-19.1	178.8	60.5	0	0	0	0	112.3	R401 K407 Q423	R401-T419 PolarHBondContact NH1-O 3.48Å; K407-T419 HydrophobicContact CG-CG2 3.97Å; T419-Q423 PolarHBondContact OG1-OE1 3.03Å
420	Q	90.3	Very high	90.8	Very high	55 Å²	55	70.6 Å²	70.6	26%	0.257	37%	0.373	S	S	.	.	S	Bend	trans	-132.5	141.2	-178.4	-47.4	-171.9	21	0	0	112.2	Q398 F409 F418 S422 Q423 L424	Q398-Q420 HydrophobicContact CG-CG 4.48Å; Q398-Q420 VanDerWaalsContact NE2-NE2 3.16Å; Q398-Q420 VanDerWaalsContact NE2-OE1 3.15Å; F409-Q420 VanDerWaalsContact CD2-C 3.42Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; Q420-S422 VanDerWaalsContact C-N 3.25Å; Q420-S422 PolarHBondContact O-N 2.93Å; Q420-S422 PolarHBondContact OE1-OG 3.03Å; Q420-Q423 HydrophobicContact CB-CG 4.14Å; Q420-Q423 WeakPolarHBondContact O-CB 3.39Å; Q420-Q423 PolarHBondContact O-N 2.63Å; Q420-Q423 VanDerWaalsContact O-N 3.1Å; Q420-L424 PolarHBondContact O-N 3.45Å
421	N	91.5	Very high	90.6	Very high	94 Å²	94	68 Å²	68	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-33.1	176.5	-167.2	52.5	0	0	0	113.2	F409 Q423 L424 F425	F409-N421 HydrophobicContact CD1-CB 3.84Å; F409-N421 HydrophobicContact CE1-CB 3.63Å; F409-N421 HydrophobicContact CE2-CB 4.31Å; F409-N421 HydrophobicContact CG-CB 4.28Å; F409-N421 HydrophobicContact CZ-CB 3.87Å; N421-Q423 VanDerWaalsContact C-N 3.28Å; N421-Q423 PolarHBondContact O-N 3.26Å; N421-L424 PolarHBondContact O-N 2.78Å; N421-F425 WeakPolarHBondContact O-CB 3.49Å; N421-F425 PolarHBondContact O-N 3.36Å
422	S	90.3	Very high	90.2	Very high	72 Å²	72	70.9 Å²	70.9	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-33.6	176.7	52	0	0	0	0	112.6	Q420 Q426	Q420-S422 VanDerWaalsContact C-N 3.25Å; Q420-S422 PolarHBondContact O-N 2.93Å; Q420-S422 PolarHBondContact OE1-OG 3.03Å; S422-Q426 VanDerWaalsContact O-CB 3.23Å; S422-Q426 WeakPolarHBondContact O-CB 3.49Å; S422-Q426 PolarHBondContact O-N 3.18Å
423	Q	90.8	Very high	89.6	Confident	69 Å²	69	69.1 Å²	69.1	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-71.8	-41.5	175.6	-65.8	171.4	-13.5	0	0	110.8	F418 T419 Q420 N421 Q426 H427	F418-Q423 HydrophobicContact CB-CB 3.94Å; F418-Q423 HydrophobicContact CD1-CB 3.73Å; F418-Q423 HydrophobicContact CG-CB 4.01Å; T419-Q423 PolarHBondContact OG1-OE1 3.03Å; Q420-Q423 HydrophobicContact CB-CG 4.14Å; Q420-Q423 WeakPolarHBondContact O-CB 3.39Å; Q420-Q423 PolarHBondContact O-N 2.63Å; Q420-Q423 VanDerWaalsContact O-N 3.1Å; N421-Q423 VanDerWaalsContact C-N 3.28Å; N421-Q423 PolarHBondContact O-N 3.26Å; Q423-Q426 PolarHBondContact O-N 2.79Å; Q423-H427 VanDerWaalsContact O-CB 3.24Å; Q423-H427 WeakPolarHBondContact O-CB 3.48Å; Q423-H427 PolarHBondContact O-N 2.96Å
424	L	91.8	Very high	89.5	Confident	15 Å²	15	67.4 Å²	67.4	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-51.4	173	173.1	60.6	0	0	0	111.2	F409 C411 F418 Q420 N421 Q426 H427 Q428	F409-L424 HydrophobicContact CB-CB 4.03Å; F409-L424 HydrophobicContact CB-CD2 3.85Å; C411-L424 HydrophobicContact CB-CD1 3.63Å; F418-L424 HydrophobicContact CB-CB 4.49Å; F418-L424 HydrophobicContact CD2-CB 3.89Å; F418-L424 HydrophobicContact CD2-CD1 3.95Å; F418-L424 HydrophobicContact CE2-CD1 4.07Å; F418-L424 HydrophobicContact CG-CB 4.42Å; Q420-L424 PolarHBondContact O-N 3.45Å; N421-L424 PolarHBondContact O-N 2.78Å; L424-Q426 VanDerWaalsContact C-N 3.3Å; L424-Q426 PolarHBondContact O-N 2.86Å; L424-H427 CarbonylContact O-C 3.54Å; L424-H427 WeakPolarHBondContact O-CA 3.48Å; L424-H427 WeakPolarHBondContact O-CB 3.44Å; L424-H427 PolarHBondContact O-N 3.29Å; L424-Q428 HydrophobicContact CD1-CG 4.25Å; L424-Q428 WeakPolarHBondContact O-CG 3.33Å; L424-Q428 PolarHBondContact O-N 3.42Å
425	F	89.7	Confident	89.3	Confident	117 Å²	117	70.2 Å²	70.2	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-39.3	178.9	-174.1	-103.7	0	0	0	112.3	N421 H427	N421-F425 WeakPolarHBondContact O-CB 3.49Å; N421-F425 PolarHBondContact O-N 3.36Å; F425-H427 VanDerWaalsContact C-N 3.32Å
426	Q	89.1	Confident	89.1	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-36.2	172.9	179.3	177.8	91.5	0	0	112.1	S422 Q423 L424 R429 K448	S422-Q426 VanDerWaalsContact O-CB 3.23Å; S422-Q426 WeakPolarHBondContact O-CB 3.49Å; S422-Q426 PolarHBondContact O-N 3.18Å; Q423-Q426 PolarHBondContact O-N 2.79Å; L424-Q426 VanDerWaalsContact C-N 3.3Å; L424-Q426 PolarHBondContact O-N 2.86Å; Q426-R429 WeakPolarHBondContact O-CB 3.46Å; Q426-R429 PolarHBondContact O-N 3.37Å; Q426-K448 HydrophobicContact CG-CD 4.31Å; Q426-K448 HydrophobicContact CG-CG 4.11Å
427	H	90.6	Very high	88.9	Confident	25 Å²	25	69.1 Å²	69.1	12%	0.116	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-38.4	178.6	171.3	60.9	0	0	0	112.3	C414 F418 Q423 L424 F425 R429 V430 H431	C414-H427 PolarHBondContact SG-NE2 3.42Å; F418-H427 HydrophobicContact CE1-CB 4.08Å; F418-H427 HydrophobicContact CE2-CB 3.74Å; F418-H427 AromaticContact CE2-CD2 3.5Å; F418-H427 VanDerWaalsContact CE2-CD2 3.5Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.46Å; F418-H427 AromaticContact CE2-CG 3.66Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.55Å; F418-H427 AromaticContact CZ-CG 3.27Å; F418-H427 AromaticContact CZ-ND1 3.91Å; Q423-H427 VanDerWaalsContact O-CB 3.24Å; Q423-H427 WeakPolarHBondContact O-CB 3.48Å; Q423-H427 PolarHBondContact O-N 2.96Å; L424-H427 CarbonylContact O-C 3.54Å; L424-H427 WeakPolarHBondContact O-CA 3.48Å; L424-H427 WeakPolarHBondContact O-CB 3.44Å; L424-H427 PolarHBondContact O-N 3.29Å; F425-H427 VanDerWaalsContact C-N 3.32Å; H427-R429 PolarHBondContact O-N 3Å; H427-R429 VanDerWaalsContact O-N 3.07Å; H427-V430 VanDerWaalsContact O-CB 3.23Å; H427-V430 WeakPolarHBondContact O-CB 3.44Å; H427-V430 WeakPolarHBondContact O-CG2 3.24Å; H427-V430 PolarHBondContact O-N 3.16Å; H427-H431 AromaticContact CE1-NE2 3.84Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 2.92Å
428	Q	89.4	Confident	88.8	Confident	81 Å²	81	72.8 Å²	72.8	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-25	176.3	-73.8	174.6	-43.2	0	0	112.7	L424 V430 H431 S432	L424-Q428 HydrophobicContact CD1-CG 4.25Å; L424-Q428 WeakPolarHBondContact O-CG 3.33Å; L424-Q428 PolarHBondContact O-N 3.42Å; Q428-V430 PolarHBondContact O-N 3.05Å; Q428-H431 PolarHBondContact O-N 3.32Å; Q428-S432 PolarHBondContact O-N 2.94Å; Q428-S432 PolarHBondContact O-OG 3.1Å
429	R	89	Confident	88.8	Confident	38 Å²	38	71 Å²	71	14%	0.143	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.3	172.5	-60.9	180	177.5	-150.2	-13.9	114.2	Q426 H427 H431 S432 D433 N447	Q426-R429 WeakPolarHBondContact O-CB 3.46Å; Q426-R429 PolarHBondContact O-N 3.37Å; H427-R429 PolarHBondContact O-N 3Å; H427-R429 VanDerWaalsContact O-N 3.07Å; R429-H431 VanDerWaalsContact C-N 3.29Å; R429-S432 WeakPolarHBondContact CA-OG 3.35Å; R429-D433 PolarHBondContact O-N 2.95Å; R429-N447 HydrophobicContact CB-CB 4.24Å; R429-N447 PolarHBondContact NH1-O 3.32Å; R429-N447 VanDerWaalsContact NH1-O 3.17Å
430	V	86.9	Confident	88.8	Confident	79 Å²	79	77.2 Å²	77.2	48%	0.479	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.9	173.5	-179.5	0	0	0	0	111	H427 Q428	H427-V430 VanDerWaalsContact O-CB 3.23Å; H427-V430 WeakPolarHBondContact O-CB 3.44Å; H427-V430 WeakPolarHBondContact O-CG2 3.24Å; H427-V430 PolarHBondContact O-N 3.16Å; Q428-V430 PolarHBondContact O-N 3.05Å
431	H	88.8	Confident	88.6	Confident	70 Å²	70	80.9 Å²	80.9	32%	0.324	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-38.1	-179.7	-54.8	-54.9	0	0	0	112.1	C411 E413 H427 Q428 R429 D433	C411-H431 PolarHBondContact SG-NE2 3.25Å; C411-H431 VanDerWaalsContact SG-NE2 3.37Å; E413-H431 WeakPolarHBondContact OE2-CB 2.91Å; E413-H431 IonicContact OE2-CD2 2.93Å; E413-H431 PolarHBondContact OE2-CD2 2.99Å; E413-H431 IonicContact OE2-CG 3.05Å; E413-H431 IonicContact OE2-NE2 3.85Å; H427-H431 AromaticContact CE1-NE2 3.84Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 2.92Å; Q428-H431 PolarHBondContact O-N 3.32Å; R429-H431 VanDerWaalsContact C-N 3.29Å; H431-D433 VanDerWaalsContact C-N 3.26Å; H431-D433 PolarHBondContact O-N 3.44Å
432	S	85.4	Confident	88.6	Confident	63 Å²	63	79 Å²	79	44%	0.441	40%	0.4	S	S	.	.	S	Bend	trans	-77.7	-6.4	177.4	63.5	0	0	0	0	114.6	Q428 R429 E434	Q428-S432 PolarHBondContact O-N 2.94Å; Q428-S432 PolarHBondContact O-OG 3.1Å; R429-S432 WeakPolarHBondContact CA-OG 3.35Å; S432-E434 PolarHBondContact O-N 3.2Å; S432-E434 WeakPolarHBondContact OG-CB 3Å; S432-E434 WeakPolarHBondContact OG-CG 3.39Å; S432-E434 PolarHBondContact OG-N 3.43Å
433	D	78.7	Confident	88.5	Confident	119 Å²	119	77.5 Å²	77.5	64%	0.636	40%	0.397	S	S	*	.			trans	51.4	14.1	-168.6	-78.8	-49.4	0	0	0	115.7	R429 H431 K435	R429-D433 PolarHBondContact O-N 2.95Å; H431-D433 VanDerWaalsContact C-N 3.26Å; H431-D433 PolarHBondContact O-N 3.44Å; D433-K435 PolarHBondContact O-N 2.97Å
434	E	86.3	Confident	88.5	Confident	104 Å²	104	80.3 Å²	80.3	49%	0.486	41%	0.408	S	S	.	.			trans	-62	121.1	176.9	-75.6	-174	-178.2	0	0	111.4	S432 P436	S432-E434 PolarHBondContact O-N 3.2Å; S432-E434 WeakPolarHBondContact OG-CB 3Å; S432-E434 WeakPolarHBondContact OG-CG 3.39Å; S432-E434 PolarHBondContact OG-N 3.43Å; E434-P436 WeakPolarHBondContact O-CD 3.49Å
435	K	87.7	Confident	88.4	Confident	114 Å²	114	81.4 Å²	81.4	50%	0.496	42%	0.419	S	S	.	.			trans	-122.6	74.4	175.7	-67.2	171.1	-174.1	174.8	0	110.9	D433 Y437 A445 F446	D433-K435 PolarHBondContact O-N 2.97Å; K435-Y437 PolarHBondContact O-N 3.49Å; K435-Y437 VanDerWaalsContact O-N 3.09Å; K435-A445 HydrophobicContact CB-CB 3.54Å; K435-A445 HydrophobicContact CD-CB 4.28Å; K435-F446 CarbonylContact C-O 3.52Å; K435-F446 WeakPolarHBondContact CA-O 3.47Å
436	P	86	Confident	88.4	Confident	75 Å²	75	77.9 Å²	77.9	49%	0.487	40%	0.403	S	S	.	.			trans	-68.8	-11.3	-172.8	-23.3	37.2	0	0	0	115	E434	E434-P436 WeakPolarHBondContact O-CD 3.49Å
437	Y	89.9	Confident	88.3	Confident	85 Å²	85	76.4 Å²	76.4	33%	0.333	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	92.5	-175.3	-58.2	-75.9	0	0	0	110.1	K435 A445 F446 K448 C449	K435-Y437 PolarHBondContact O-N 3.49Å; K435-Y437 VanDerWaalsContact O-N 3.09Å; Y437-A445 CarbonylContact O-C 3.56Å; Y437-A445 WeakPolarHBondContact O-CA 3.28Å; Y437-F446 WeakPolarHBondContact CB-O 3.35Å; Y437-F446 WeakPolarHBondContact CD2-O 3.25Å; Y437-F446 PolarHBondContact N-O 3.4Å; Y437-F446 PolarHBondContact O-N 3.14Å; Y437-K448 VanDerWaalsContact CD2-C 3.44Å; Y437-C449 HydrophobicContact CD1-CB 3.88Å; Y437-C449 HydrophobicContact CD2-CB 4.44Å; Y437-C449 HydrophobicContact CE1-CB 3.58Å; Y437-C449 HydrophobicContact CE2-CB 4.16Å; Y437-C449 HydrophobicContact CG-CB 4.29Å
438	E	91	Very high	88.2	Confident	113 Å²	113	78.8 Å²	78.8	53%	0.528	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.8	180	-167.3	-179.8	160.7	0	0	112.5	A445	E438-A445 HydrophobicContact CB-CB 4.47Å; E438-A445 HydrophobicContact CG-CB 4.48Å
439	C	92	Very high	88.2	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	41%	0.409	C	S	.	.			trans	-84.3	110.5	170.1	-176.4	0	0	0	0	110.9	K441 C442 G443 K444 L452 H459	C439-K441 PolarHBondContact O-N 3.37Å; C439-C442 PolarHBondContact O-N 2.85Å; C439-C442 VanDerWaalsContact SG-SG 3.66Å; C439-G443 WeakPolarHBondContact O-CA 3.46Å; C439-G443 PolarHBondContact O-N 3.19Å; C439-K444 WeakPolarHBondContact CB-O 3.24Å; C439-K444 PolarHBondContact N-O 2.79Å; C439-L452 HydrophobicContact CB-CD1 3.66Å; C439-H459 PolarHBondContact SG-NE2 2.91Å
440	N	89.6	Confident	88.2	Confident	160 Å²	160	79.7 Å²	79.7	86%	0.856	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.5	177.9	-60.9	-9.8	0	0	0	114.5
441	K	86.5	Confident	88.3	Confident	131 Å²	131	77.7 Å²	77.7	57%	0.57	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-29.7	-178.6	-71.1	-171.8	172.7	-166.6	0	113.9	C439 H459	C439-K441 PolarHBondContact O-N 3.37Å; K441-H459 HydrophobicContact CD-CB 3.66Å; K441-H459 PolarHBondContact NZ-O 3.42Å
442	C	90.5	Very high	88.4	Confident	55 Å²	55	75.4 Å²	75.4	37%	0.372	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	4.5	-173.6	68.9	0	0	0	0	114.7	C439 K444 H455	C439-C442 PolarHBondContact O-N 2.85Å; C439-C442 VanDerWaalsContact SG-SG 3.66Å; C442-K444 PolarHBondContact O-N 3.16Å; C442-K444 VanDerWaalsContact O-N 3.1Å; C442-H455 PolarHBondContact SG-NE2 2.9Å
443	G	88.1	Confident	88.5	Confident	41 Å²	41	75.7 Å²	75.7	42%	0.423	40%	0.404	S	S	.	.			trans	69.9	-0.9	-179.2	0	0	0	0	0	115.1	C439 A445	C439-G443 WeakPolarHBondContact O-CA 3.46Å; C439-G443 PolarHBondContact O-N 3.19Å; G443-A445 PolarHBondContact O-N 2.98Å
444	K	91.1	Very high	88.9	Confident	128 Å²	128	75.3 Å²	75.3	56%	0.557	39%	0.394	S	S	*	.			trans	-66.2	121	179.4	-71.7	-174.1	-178.4	-177	0	110.2	C439 C442 F446	C439-K444 WeakPolarHBondContact CB-O 3.24Å; C439-K444 PolarHBondContact N-O 2.79Å; C442-K444 PolarHBondContact O-N 3.16Å; C442-K444 VanDerWaalsContact O-N 3.1Å; K444-F446 HydrophobicContact CB-CE2 3.98Å; K444-F446 HydrophobicContact CB-CZ 4.01Å; K444-F446 VanDerWaalsContact O-CE2 3.28Å; K444-F446 WeakPolarHBondContact O-CE2 3.47Å
445	A	90.5	Very high	89	Confident	37 Å²	37	71.5 Å²	71.5	31%	0.306	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.2	178.9	0	0	0	0	0	112.2	K435 Y437 E438 G443	K435-A445 HydrophobicContact CB-CB 3.54Å; K435-A445 HydrophobicContact CD-CB 4.28Å; Y437-A445 CarbonylContact O-C 3.56Å; Y437-A445 WeakPolarHBondContact O-CA 3.28Å; E438-A445 HydrophobicContact CB-CB 4.47Å; E438-A445 HydrophobicContact CG-CB 4.48Å; G443-A445 PolarHBondContact O-N 2.98Å
446	F	89.8	Confident	88.9	Confident	43 Å²	43	69.2 Å²	69.2	19%	0.189	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149	-177.1	-56.6	-88.3	0	0	0	111.3	K435 Y437 K444 N451 L452 H455	K435-F446 CarbonylContact C-O 3.52Å; K435-F446 WeakPolarHBondContact CA-O 3.47Å; Y437-F446 WeakPolarHBondContact CB-O 3.35Å; Y437-F446 WeakPolarHBondContact CD2-O 3.25Å; Y437-F446 PolarHBondContact N-O 3.4Å; Y437-F446 PolarHBondContact O-N 3.14Å; K444-F446 HydrophobicContact CB-CE2 3.98Å; K444-F446 HydrophobicContact CB-CZ 4.01Å; K444-F446 VanDerWaalsContact O-CE2 3.28Å; K444-F446 WeakPolarHBondContact O-CE2 3.47Å; F446-N451 HydrophobicContact CB-CB 4.02Å; F446-N451 HydrophobicContact CD1-CB 3.74Å; F446-N451 HydrophobicContact CG-CB 4.06Å; F446-L452 HydrophobicContact CB-CB 4.46Å; F446-L452 HydrophobicContact CD2-CB 3.8Å; F446-L452 HydrophobicContact CD2-CD1 3.88Å; F446-L452 HydrophobicContact CD2-CG 4.45Å; F446-L452 HydrophobicContact CE2-CB 4.48Å; F446-L452 HydrophobicContact CE2-CD1 3.95Å; F446-L452 HydrophobicContact CG-CB 4.37Å; F446-H455 HydrophobicContact CE1-CB 4.17Å; F446-H455 HydrophobicContact CE2-CB 3.76Å; F446-H455 AromaticContact CE2-CD2 3.53Å; F446-H455 AromaticContact CE2-CG 3.71Å; F446-H455 HydrophobicContact CZ-CB 3.42Å; F446-H455 VanDerWaalsContact CZ-CB 3.42Å; F446-H455 AromaticContact CZ-CD2 3.64Å; F446-H455 AromaticContact CZ-CG 3.38Å
447	N	87.4	Confident	88.9	Confident	43 Å²	43	69.1 Å²	69.1	23%	0.23	36%	0.359	C	S	.	.	S	Bend	trans	-79.1	-18.6	176.3	57.4	8.5	0	0	0	113.4	R429	R429-N447 HydrophobicContact CB-CB 4.24Å; R429-N447 PolarHBondContact NH1-O 3.32Å; R429-N447 VanDerWaalsContact NH1-O 3.17Å
448	K	88.3	Confident	88.6	Confident	74 Å²	74	68.7 Å²	68.7	32%	0.322	37%	0.365	S	S	.	.	S	Bend	trans	-126.4	137.9	178.8	-56.8	-172.9	-166.6	-160.5	0	111.3	Q426 Y437 S450 N451 L452	Q426-K448 HydrophobicContact CG-CD 4.31Å; Q426-K448 HydrophobicContact CG-CG 4.11Å; Y437-K448 VanDerWaalsContact CD2-C 3.44Å; K448-S450 VanDerWaalsContact C-N 3.31Å; K448-S450 PolarHBondContact O-N 2.97Å; K448-N451 HydrophobicContact CB-CB 4.49Å; K448-N451 WeakPolarHBondContact O-CB 3.47Å; K448-N451 PolarHBondContact O-N 3.43Å; K448-N451 VanDerWaalsContact O-N 3.15Å; K448-L452 PolarHBondContact O-N 3.1Å
449	C	89	Confident	88.3	Confident	61 Å²	61	66.1 Å²	66.1	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-40.8	176	-176.4	0	0	0	0	112.2	Y437 N451 L452 T453	Y437-C449 HydrophobicContact CD1-CB 3.88Å; Y437-C449 HydrophobicContact CD2-CB 4.44Å; Y437-C449 HydrophobicContact CE1-CB 3.58Å; Y437-C449 HydrophobicContact CE2-CB 4.16Å; Y437-C449 HydrophobicContact CG-CB 4.29Å; C449-N451 PolarHBondContact O-N 2.8Å; C449-L452 WeakPolarHBondContact O-CA 3.39Å; C449-L452 WeakPolarHBondContact O-CB 3.44Å; C449-L452 PolarHBondContact O-N 2.94Å; C449-T453 PolarHBondContact O-N 3.4Å; C449-T453 PolarHBondContact O-OG1 3.04Å
450	S	88.3	Confident	87.8	Confident	77 Å²	77	75.4 Å²	75.4	54%	0.538	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-33.7	178.2	53.8	0	0	0	0	113.4	K448 T453 R454	K448-S450 VanDerWaalsContact C-N 3.31Å; K448-S450 PolarHBondContact O-N 2.97Å; S450-T453 PolarHBondContact O-N 3.22Å; S450-R454 WeakPolarHBondContact O-CB 3.29Å; S450-R454 PolarHBondContact O-N 3.41Å
451	N	89.5	Confident	87	Confident	37 Å²	37	74 Å²	74	20%	0.198	38%	0.38	C	S	.	.	H	α-helix	trans	-70.2	-39.8	175.8	-70.8	-15.6	0	0	0	111.2	F446 K448 C449 R454 H455	F446-N451 HydrophobicContact CB-CB 4.02Å; F446-N451 HydrophobicContact CD1-CB 3.74Å; F446-N451 HydrophobicContact CG-CB 4.06Å; K448-N451 HydrophobicContact CB-CB 4.49Å; K448-N451 WeakPolarHBondContact O-CB 3.47Å; K448-N451 PolarHBondContact O-N 3.43Å; K448-N451 VanDerWaalsContact O-N 3.15Å; C449-N451 PolarHBondContact O-N 2.8Å; N451-R454 PolarHBondContact OD1-NH2 2.74Å; N451-H455 VanDerWaalsContact O-CB 3.28Å; N451-H455 WeakPolarHBondContact O-CB 3.36Å; N451-H455 PolarHBondContact O-N 2.76Å
452	L	89.8	Confident	86.6	Confident	22 Å²	22	71.4 Å²	71.4	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-48	172	174.8	61.8	0	0	0	110.8	C439 F446 K448 C449 R454 H455 L456	C439-L452 HydrophobicContact CB-CD1 3.66Å; F446-L452 HydrophobicContact CB-CB 4.46Å; F446-L452 HydrophobicContact CD2-CB 3.8Å; F446-L452 HydrophobicContact CD2-CD1 3.88Å; F446-L452 HydrophobicContact CD2-CG 4.45Å; F446-L452 HydrophobicContact CE2-CB 4.48Å; F446-L452 HydrophobicContact CE2-CD1 3.95Å; F446-L452 HydrophobicContact CG-CB 4.37Å; K448-L452 PolarHBondContact O-N 3.1Å; C449-L452 WeakPolarHBondContact O-CA 3.39Å; C449-L452 WeakPolarHBondContact O-CB 3.44Å; C449-L452 PolarHBondContact O-N 2.94Å; L452-R454 VanDerWaalsContact C-N 3.34Å; L452-R454 PolarHBondContact O-N 3.33Å; L452-H455 CarbonylContact O-C 3.52Å; L452-H455 WeakPolarHBondContact O-CA 3.4Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 2.8Å; L452-H455 VanDerWaalsContact O-N 3.09Å; L452-L456 HydrophobicContact CD1-CD1 4.31Å; L452-L456 HydrophobicContact CD1-CD2 4.4Å; L452-L456 HydrophobicContact CD1-CG 4.06Å; L452-L456 HydrophobicContact CG-CD1 4.12Å; L452-L456 HydrophobicContact CG-CG 4.32Å; L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 3.08Å
453	T	88.2	Confident	86.3	Confident	69 Å²	69	73.5 Å²	73.5	42%	0.423	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-44.5	178.2	-56	0	0	0	0	111.8	C449 S450 H455 L456 R457	C449-T453 PolarHBondContact O-N 3.4Å; C449-T453 PolarHBondContact O-OG1 3.04Å; S450-T453 PolarHBondContact O-N 3.22Å; T453-H455 VanDerWaalsContact C-N 3.33Å; T453-H455 PolarHBondContact O-N 3.28Å; T453-L456 PolarHBondContact O-N 3.06Å; T453-R457 PolarHBondContact O-N 3.13Å
454	R	87.2	Confident	86.1	Confident	111 Å²	111	74.9 Å²	74.9	42%	0.419	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.1	-179.7	178.2	61.4	-173.7	-0.8	111.4	S450 N451 L452 R457 N476	S450-R454 WeakPolarHBondContact O-CB 3.29Å; S450-R454 PolarHBondContact O-N 3.41Å; N451-R454 PolarHBondContact OD1-NH2 2.74Å; L452-R454 VanDerWaalsContact C-N 3.34Å; L452-R454 PolarHBondContact O-N 3.33Å; R454-R457 WeakPolarHBondContact O-CB 3.34Å; R454-R457 PolarHBondContact O-N 3.17Å; R454-N476 HydrophobicContact CG-CB 4.29Å
455	H	88.4	Confident	85.8	Confident	24 Å²	24	71.1 Å²	71.1	11%	0.111	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-38.6	176.3	173.5	57.5	0	0	0	112.4	C442 F446 N451 L452 T453 R457 T458 H459	C442-H455 PolarHBondContact SG-NE2 2.9Å; F446-H455 HydrophobicContact CE1-CB 4.17Å; F446-H455 HydrophobicContact CE2-CB 3.76Å; F446-H455 AromaticContact CE2-CD2 3.53Å; F446-H455 AromaticContact CE2-CG 3.71Å; F446-H455 HydrophobicContact CZ-CB 3.42Å; F446-H455 VanDerWaalsContact CZ-CB 3.42Å; F446-H455 AromaticContact CZ-CD2 3.64Å; F446-H455 AromaticContact CZ-CG 3.38Å; N451-H455 VanDerWaalsContact O-CB 3.28Å; N451-H455 WeakPolarHBondContact O-CB 3.36Å; N451-H455 PolarHBondContact O-N 2.76Å; L452-H455 CarbonylContact O-C 3.52Å; L452-H455 WeakPolarHBondContact O-CA 3.4Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 2.8Å; L452-H455 VanDerWaalsContact O-N 3.09Å; T453-H455 VanDerWaalsContact C-N 3.33Å; T453-H455 PolarHBondContact O-N 3.28Å; H455-R457 PolarHBondContact O-N 2.68Å; H455-R457 VanDerWaalsContact O-N 3.13Å; H455-T458 PolarHBondContact O-N 3.27Å; H455-T458 PolarHBondContact O-OG1 2.83Å; H455-H459 AromaticContact CD2-NE2 3.92Å; H455-H459 AromaticContact CE1-CD2 3.99Å; H455-H459 AromaticContact CE1-NE2 3.4Å; H455-H459 PolarHBondContact CE1-NE2 3.28Å; H455-H459 AromaticContact NE2-CD2 3.66Å; H455-H459 AromaticContact NE2-NE2 3Å; H455-H459 PolarHBondContact NE2-NE2 2.86Å
456	L	86.8	Confident	85.7	Confident	66 Å²	66	72.6 Å²	72.6	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-23.5	177.6	-71.6	172.6	0	0	0	113	L452 T453 T458 H459	L452-L456 HydrophobicContact CD1-CD1 4.31Å; L452-L456 HydrophobicContact CD1-CD2 4.4Å; L452-L456 HydrophobicContact CD1-CG 4.06Å; L452-L456 HydrophobicContact CG-CD1 4.12Å; L452-L456 HydrophobicContact CG-CG 4.32Å; L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 3.08Å; T453-L456 PolarHBondContact O-N 3.06Å; L456-T458 VanDerWaalsContact C-N 3.32Å; L456-H459 PolarHBondContact O-N 2.87Å
457	R	85	Confident	85.7	Confident	74 Å²	74	70.6 Å²	70.6	28%	0.279	36%	0.361	S	S	.	.	H	α-helix	trans	-66.5	-31.8	172.9	-61.4	178.3	-173.6	174.6	-3.8	112.7	T453 R454 H455 H459 R460 D461 D462 S475	T453-R457 PolarHBondContact O-N 3.13Å; R454-R457 WeakPolarHBondContact O-CB 3.34Å; R454-R457 PolarHBondContact O-N 3.17Å; H455-R457 PolarHBondContact O-N 2.68Å; H455-R457 VanDerWaalsContact O-N 3.13Å; R457-H459 PolarHBondContact O-N 3.01Å; R457-R460 PolarHBondContact O-N 3.25Å; R457-D461 PolarHBondContact O-N 3.48Å; R457-D461 VanDerWaalsContact O-N 3.16Å; R457-D462 HydrophobicContact CB-CB 4.33Å; R457-D462 PolarHBondContact O-N 3.14Å; R457-S475 WeakPolarHBondContact CD-O 3.47Å; R457-S475 PolarHBondContact NH1-O 3.29Å
458	T	83.2	Confident	85.7	Confident	76 Å²	76	74 Å²	74	47%	0.466	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.3	176.8	74.5	0	0	0	0	112.8	H455 L456	H455-T458 PolarHBondContact O-N 3.27Å; H455-T458 PolarHBondContact O-OG1 2.83Å; L456-T458 VanDerWaalsContact C-N 3.32Å
459	H	86.1	Confident	85.7	Confident	59 Å²	59	77.3 Å²	77.3	27%	0.273	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.3	174.4	-68.8	-73.6	0	0	0	113.6	C439 K441 H455 L456 R457	C439-H459 PolarHBondContact SG-NE2 2.91Å; K441-H459 HydrophobicContact CD-CB 3.66Å; K441-H459 PolarHBondContact NZ-O 3.42Å; H455-H459 AromaticContact CD2-NE2 3.92Å; H455-H459 AromaticContact CE1-CD2 3.99Å; H455-H459 AromaticContact CE1-NE2 3.4Å; H455-H459 PolarHBondContact CE1-NE2 3.28Å; H455-H459 AromaticContact NE2-CD2 3.66Å; H455-H459 AromaticContact NE2-NE2 3Å; H455-H459 PolarHBondContact NE2-NE2 2.86Å; L456-H459 PolarHBondContact O-N 2.87Å; R457-H459 PolarHBondContact O-N 3.01Å
460	R	81.2	Confident	85.8	Confident	195 Å²	195	77.2 Å²	77.2	74%	0.736	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-0.6	-179.3	-67.8	-176.5	176.7	-101.3	1.8	112.1	R457 D462	R457-R460 PolarHBondContact O-N 3.25Å; R460-D462 HydrophobicContact CB-CB 4.02Å; R460-D462 PolarHBondContact O-N 3.43Å
461	D	71.9	Confident	85.7	Confident	132 Å²	132	75.9 Å²	75.9	71%	0.706	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	31.7	-166.5	-65.4	-61.5	0	0	0	112.8	R457 K463	R457-D461 PolarHBondContact O-N 3.48Å; R457-D461 VanDerWaalsContact O-N 3.16Å; D461-K463 PolarHBondContact O-N 2.81Å
462	D	79	Confident	85.7	Confident	75 Å²	75	80 Å²	80	40%	0.401	41%	0.414	S	S	.	.			trans	-81.3	108.1	-176.9	-178.6	13.9	0	0	0	109.5	R457 R460 P464	R457-D462 HydrophobicContact CB-CB 4.33Å; R457-D462 PolarHBondContact O-N 3.14Å; R460-D462 HydrophobicContact CB-CB 4.02Å; R460-D462 PolarHBondContact O-N 3.43Å; D462-P464 VanDerWaalsContact C-CD 3.47Å; D462-P464 VanDerWaalsContact O-CD 3.29Å; D462-P464 WeakPolarHBondContact O-CD 3.3Å
463	K	83.8	Confident	85.7	Confident	99 Å²	99	82.1 Å²	82.1	43%	0.43	43%	0.428	S	S	.	.			trans	-118.8	74.7	-177.1	-63.1	179.9	-179	-178.4	0	110.6	D461 H465 T473 F474	D461-K463 PolarHBondContact O-N 2.81Å; K463-H465 PolarHBondContact O-N 3.14Å; K463-T473 WeakPolarHBondContact CD-OG1 3.42Å; K463-F474 CarbonylContact C-O 3.27Å; K463-F474 VanDerWaalsContact C-O 3.31Å; K463-F474 VanDerWaalsContact CA-O 3.27Å; K463-F474 WeakPolarHBondContact CA-O 3.45Å
464	P	82.9	Confident	85.6	Confident	71 Å²	71	80.6 Å²	80.6	46%	0.461	42%	0.415	S	S	.	.			trans	-73.8	-12.2	-171.9	28.9	-34.6	0	0	0	113.8	D462	D462-P464 VanDerWaalsContact C-CD 3.47Å; D462-P464 VanDerWaalsContact O-CD 3.29Å; D462-P464 WeakPolarHBondContact O-CD 3.3Å
465	H	85.5	Confident	85.4	Confident	48 Å²	48	76.5 Å²	76.5	22%	0.222	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.7	-177.2	-60.1	-82.6	0	0	0	109.7	K463 T473 F474 D477 L480	K463-H465 PolarHBondContact O-N 3.14Å; H465-T473 CarbonylContact O-C 3.23Å; H465-T473 VanDerWaalsContact O-CA 3.27Å; H465-T473 WeakPolarHBondContact O-CA 3.43Å; H465-F474 HydrophobicContact CB-CB 4.33Å; H465-F474 PolarHBondContact N-O 3.32Å; H465-F474 PolarHBondContact O-N 3.18Å; H465-D477 IonicContact ND1-OD1 3.65Å; H465-L480 HydrophobicContact CB-CB 4.19Å; H465-L480 HydrophobicContact CB-CD2 3.9Å
466	S	87.9	Confident	85.3	Confident	68 Å²	68	76.4 Å²	76.4	48%	0.476	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.1	176.8	57.8	0	0	0	0	111.6	K472	S466-K472 CarbonylContact C-O 3.31Å; S466-K472 WeakPolarHBondContact CA-O 3.39Å
467	C	90.8	Very high	85.3	Confident	2 Å²	2	77 Å²	77	1%	0.014	41%	0.407	C	S	.	.			trans	-68.3	129	167.9	-179	0	0	0	0	110.1	C470 G471 K472 F474 L480 H487	C467-C470 VanDerWaalsContact SG-SG 3.64Å; C467-G471 WeakPolarHBondContact O-CA 3.13Å; C467-G471 PolarHBondContact O-N 3.29Å; C467-K472 PolarHBondContact N-O 2.78Å; C467-F474 HydrophobicContact CB-CE2 4.38Å; C467-L480 HydrophobicContact CB-CD1 3.77Å; C467-H487 PolarHBondContact SG-NE2 2.99Å
468	T	87.8	Confident	85.4	Confident	113 Å²	113	77.3 Å²	77.3	69%	0.693	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-35	177.4	49.3	0	0	0	0	112.5
469	E	87.4	Confident	85.6	Confident	145 Å²	145	77.1 Å²	77.1	68%	0.678	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-42.7	-176.3	-59.8	-54	129.7	0	0	112.8
470	C	90.1	Very high	85.7	Confident	58 Å²	58	75 Å²	75	39%	0.392	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	1.1	-173.4	75.1	0	0	0	0	115.2	C467 K472 H483	C467-C470 VanDerWaalsContact SG-SG 3.64Å; C470-K472 PolarHBondContact O-N 2.81Å; C470-K472 VanDerWaalsContact O-N 3.1Å; C470-K472 VanDerWaalsContact SG-CG 3.52Å; C470-H483 PolarHBondContact SG-NE2 3.45Å
471	G	86.6	Confident	86.1	Confident	49 Å²	49	69.3 Å²	69.3	51%	0.505	39%	0.391	S	S	.	.			trans	72.2	-4.2	178.8	0	0	0	0	0	115.9	C467 T473	C467-G471 WeakPolarHBondContact O-CA 3.13Å; C467-G471 PolarHBondContact O-N 3.29Å; G471-T473 PolarHBondContact O-N 3.29Å
472	K	90.3	Very high	86.8	Confident	125 Å²	125	66.3 Å²	66.3	54%	0.543	38%	0.38	S	S	.	.			trans	-57.8	133.4	178.3	-74.6	178.2	-174.8	171.5	0	110.9	S466 C467 C470 F474	S466-K472 CarbonylContact C-O 3.31Å; S466-K472 WeakPolarHBondContact CA-O 3.39Å; C467-K472 PolarHBondContact N-O 2.78Å; C470-K472 PolarHBondContact O-N 2.81Å; C470-K472 VanDerWaalsContact O-N 3.1Å; C470-K472 VanDerWaalsContact SG-CG 3.52Å; K472-F474 HydrophobicContact CB-CE2 3.74Å; K472-F474 HydrophobicContact CB-CZ 3.88Å; K472-F474 WeakPolarHBondContact O-CD2 3.31Å; K472-F474 VanDerWaalsContact O-CE2 3.29Å; K472-F474 WeakPolarHBondContact O-CE2 3.39Å
473	T	88.9	Confident	87.3	Confident	66 Å²	66	63.7 Å²	63.7	41%	0.405	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.6	-179	60.6	0	0	0	0	112.1	K463 H465 G471	K463-T473 WeakPolarHBondContact CD-OG1 3.42Å; H465-T473 CarbonylContact O-C 3.23Å; H465-T473 VanDerWaalsContact O-CA 3.27Å; H465-T473 WeakPolarHBondContact O-CA 3.43Å; G471-T473 PolarHBondContact O-N 3.29Å
474	F	86.5	Confident	87.5	Confident	37 Å²	37	62.2 Å²	62.2	16%	0.162	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.1	-174.3	-59.7	-86.8	0	0	0	110.6	K463 H465 C467 K472 N476 D479 L480 H483	K463-F474 CarbonylContact C-O 3.27Å; K463-F474 VanDerWaalsContact C-O 3.31Å; K463-F474 VanDerWaalsContact CA-O 3.27Å; K463-F474 WeakPolarHBondContact CA-O 3.45Å; H465-F474 HydrophobicContact CB-CB 4.33Å; H465-F474 PolarHBondContact N-O 3.32Å; H465-F474 PolarHBondContact O-N 3.18Å; C467-F474 HydrophobicContact CB-CE2 4.38Å; K472-F474 HydrophobicContact CB-CE2 3.74Å; K472-F474 HydrophobicContact CB-CZ 3.88Å; K472-F474 WeakPolarHBondContact O-CD2 3.31Å; K472-F474 VanDerWaalsContact O-CE2 3.29Å; K472-F474 WeakPolarHBondContact O-CE2 3.39Å; F474-N476 PolarHBondContact O-N 3.11Å; F474-D479 HydrophobicContact CB-CB 4.11Å; F474-D479 HydrophobicContact CD1-CB 3.65Å; F474-D479 HydrophobicContact CE1-CB 4.48Å; F474-D479 HydrophobicContact CG-CB 4.15Å; F474-L480 HydrophobicContact CB-CB 4.29Å; F474-L480 HydrophobicContact CD2-CB 3.91Å; F474-L480 HydrophobicContact CD2-CD1 3.86Å; F474-L480 HydrophobicContact CD2-CG 4.49Å; F474-L480 HydrophobicContact CE2-CD1 4.03Å; F474-L480 HydrophobicContact CG-CB 4.23Å; F474-H483 HydrophobicContact CE1-CB 3.93Å; F474-H483 HydrophobicContact CE2-CB 3.95Å; F474-H483 AromaticContact CE2-CD2 3.4Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.38Å; F474-H483 AromaticContact CE2-CG 3.8Å; F474-H483 HydrophobicContact CZ-CB 3.41Å; F474-H483 VanDerWaalsContact CZ-CB 3.41Å; F474-H483 AromaticContact CZ-CD2 3.36Å; F474-H483 WeakPolarHBondContact CZ-CD2 3.48Å; F474-H483 AromaticContact CZ-CG 3.3Å
475	S	84.2	Confident	87.7	Confident	24 Å²	24	63.8 Å²	63.8	17%	0.168	36%	0.361	C	S	.	.	S	Bend	trans	-74.6	-21.4	179	-55.7	0	0	0	0	112.1	R457	R457-S475 WeakPolarHBondContact CD-O 3.47Å; R457-S475 PolarHBondContact NH1-O 3.29Å
476	N	84.8	Confident	87.8	Confident	22 Å²	22	64.7 Å²	64.7	12%	0.118	37%	0.37	C	S	.	.	S	Bend	trans	-139.6	150.2	-176.9	88	55.2	0	0	0	111	R454 F474 S478 D479 L480	R454-N476 HydrophobicContact CG-CB 4.29Å; F474-N476 PolarHBondContact O-N 3.11Å; N476-S478 WeakPolarHBondContact OD1-CA 3.47Å; N476-S478 WeakPolarHBondContact OD1-CB 3.39Å; N476-S478 PolarHBondContact OD1-N 3.1Å; N476-D479 PolarHBondContact ND2-OD1 3.1Å; N476-D479 PolarHBondContact ND2-OD2 3.26Å; N476-D479 PolarHBondContact O-N 3.23Å; N476-D479 VanDerWaalsContact OD1-CG 3.23Å; N476-D479 PolarHBondContact OD1-N 2.9Å; N476-D479 PolarHBondContact OD1-OD1 2.84Å; N476-L480 PolarHBondContact O-N 3.02Å
477	D	86.5	Confident	87.6	Confident	80 Å²	80	64.2 Å²	64.2	43%	0.428	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-33.5	-177.7	-173.2	68	0	0	0	113.2	H465 D479 L480 I481	H465-D477 IonicContact ND1-OD1 3.65Å; D477-D479 PolarHBondContact O-N 3.43Å; D477-L480 WeakPolarHBondContact O-CB 3.25Å; D477-L480 PolarHBondContact O-N 2.92Å; D477-L480 VanDerWaalsContact O-N 3.16Å; D477-I481 WeakPolarHBondContact O-CG1 3.46Å; D477-I481 PolarHBondContact O-N 3.43Å; D477-I481 WeakPolarHBondContact OD2-CD1 3.48Å
478	S	87.6	Confident	86.9	Confident	79 Å²	79	69.2 Å²	69.2	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-65.7	-36.7	178.5	-53.9	0	0	0	0	112.7	N476 L480 I481 S482	N476-S478 WeakPolarHBondContact OD1-CA 3.47Å; N476-S478 WeakPolarHBondContact OD1-CB 3.39Å; N476-S478 PolarHBondContact OD1-N 3.1Å; S478-L480 VanDerWaalsContact C-N 3.32Å; S478-I481 PolarHBondContact O-N 2.51Å; S478-S482 WeakPolarHBondContact O-CB 3.41Å; S478-S482 PolarHBondContact O-N 3.38Å
479	D	87.5	Confident	85.7	Confident	73 Å²	73	70.6 Å²	70.6	39%	0.39	39%	0.394	S	S	.	.	H	α-helix	trans	-67.3	-37.5	173.8	-57.1	-17.3	0	0	0	110	F474 N476 D477 H483	F474-D479 HydrophobicContact CB-CB 4.11Å; F474-D479 HydrophobicContact CD1-CB 3.65Å; F474-D479 HydrophobicContact CE1-CB 4.48Å; F474-D479 HydrophobicContact CG-CB 4.15Å; N476-D479 PolarHBondContact ND2-OD1 3.1Å; N476-D479 PolarHBondContact ND2-OD2 3.26Å; N476-D479 PolarHBondContact O-N 3.23Å; N476-D479 VanDerWaalsContact OD1-CG 3.23Å; N476-D479 PolarHBondContact OD1-N 2.9Å; N476-D479 PolarHBondContact OD1-OD1 2.84Å; D477-D479 PolarHBondContact O-N 3.43Å; D479-H483 VanDerWaalsContact O-CB 3.25Å; D479-H483 WeakPolarHBondContact O-CB 3.36Å; D479-H483 PolarHBondContact O-N 2.91Å
480	L	88.8	Confident	84.2	Confident	14 Å²	14	73.9 Å²	73.9	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-64.1	-47.2	174	171	62.4	0	0	0	111	H465 C467 F474 N476 D477 S478 H483 Q484	H465-L480 HydrophobicContact CB-CB 4.19Å; H465-L480 HydrophobicContact CB-CD2 3.9Å; C467-L480 HydrophobicContact CB-CD1 3.77Å; F474-L480 HydrophobicContact CB-CB 4.29Å; F474-L480 HydrophobicContact CD2-CB 3.91Å; F474-L480 HydrophobicContact CD2-CD1 3.86Å; F474-L480 HydrophobicContact CD2-CG 4.49Å; F474-L480 HydrophobicContact CE2-CD1 4.03Å; F474-L480 HydrophobicContact CG-CB 4.23Å; N476-L480 PolarHBondContact O-N 3.02Å; D477-L480 WeakPolarHBondContact O-CB 3.25Å; D477-L480 PolarHBondContact O-N 2.92Å; D477-L480 VanDerWaalsContact O-N 3.16Å; S478-L480 VanDerWaalsContact C-N 3.32Å; L480-H483 CarbonylContact O-C 3.45Å; L480-H483 PolarHBondContact O-N 3.44Å; L480-Q484 HydrophobicContact CD1-CG 3.94Å; L480-Q484 HydrophobicContact CG-CG 4.38Å; L480-Q484 WeakPolarHBondContact O-CB 3.38Å; L480-Q484 WeakPolarHBondContact O-CG 3.45Å; L480-Q484 PolarHBondContact O-N 3.48Å
481	I	88.5	Confident	83.9	Confident	75 Å²	75	74.7 Å²	74.7	39%	0.385	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-48.9	178.1	-67.8	166.6	0	0	0	110.1	D477 S478 H483 Q484 E485	D477-I481 WeakPolarHBondContact O-CG1 3.46Å; D477-I481 PolarHBondContact O-N 3.43Å; D477-I481 WeakPolarHBondContact OD2-CD1 3.48Å; S478-I481 PolarHBondContact O-N 2.51Å; I481-H483 PolarHBondContact O-N 3.49Å; I481-Q484 WeakPolarHBondContact O-CA 3.46Å; I481-Q484 WeakPolarHBondContact O-CB 3.34Å; I481-Q484 PolarHBondContact O-N 3.5Å; I481-E485 WeakPolarHBondContact O-CG 3.09Å; I481-E485 PolarHBondContact O-N 3.12Å
482	S	87.9	Confident	83.7	Confident	69 Å²	69	76 Å²	76	48%	0.483	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-34.8	177.4	178.6	0	0	0	0	112.4	S478	S478-S482 WeakPolarHBondContact O-CB 3.41Å; S478-S482 PolarHBondContact O-N 3.38Å
483	H	89.3	Confident	83.4	Confident	20 Å²	20	73.3 Å²	73.3	9%	0.093	40%	0.397	C	S	.	.	H	α-helix	trans	-71.8	-36.3	172.2	172.6	52.7	0	0	0	112.6	C470 F474 D479 L480 I481 E485 T486 H487	C470-H483 PolarHBondContact SG-NE2 3.45Å; F474-H483 HydrophobicContact CE1-CB 3.93Å; F474-H483 HydrophobicContact CE2-CB 3.95Å; F474-H483 AromaticContact CE2-CD2 3.4Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.38Å; F474-H483 AromaticContact CE2-CG 3.8Å; F474-H483 HydrophobicContact CZ-CB 3.41Å; F474-H483 VanDerWaalsContact CZ-CB 3.41Å; F474-H483 AromaticContact CZ-CD2 3.36Å; F474-H483 WeakPolarHBondContact CZ-CD2 3.48Å; F474-H483 AromaticContact CZ-CG 3.3Å; D479-H483 VanDerWaalsContact O-CB 3.25Å; D479-H483 WeakPolarHBondContact O-CB 3.36Å; D479-H483 PolarHBondContact O-N 2.91Å; L480-H483 CarbonylContact O-C 3.45Å; L480-H483 PolarHBondContact O-N 3.44Å; I481-H483 PolarHBondContact O-N 3.49Å; H483-E485 VanDerWaalsContact C-N 3.26Å; H483-E485 PolarHBondContact O-N 3.26Å; H483-T486 PolarHBondContact O-N 2.89Å; H483-T486 VanDerWaalsContact O-N 3.12Å; H483-T486 PolarHBondContact O-OG1 3.17Å; H483-H487 AromaticContact CD2-NE2 3.97Å; H483-H487 AromaticContact CE1-CE1 3.89Å; H483-H487 AromaticContact CE1-NE2 3.26Å; H483-H487 PolarHBondContact CE1-NE2 3.16Å; H483-H487 VanDerWaalsContact CE1-NE2 3.26Å; H483-H487 AromaticContact NE2-CD2 3.95Å; H483-H487 AromaticContact NE2-CE1 3.98Å; H483-H487 AromaticContact NE2-NE2 3.06Å; H483-H487 PolarHBondContact NE2-NE2 3.36Å
484	Q	87.2	Confident	83	Confident	69 Å²	69	73.7 Å²	73.7	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-33.3	175.6	-76.8	175.5	-37	0	0	111.8	L480 I481 T486 H487 T488	L480-Q484 HydrophobicContact CD1-CG 3.94Å; L480-Q484 HydrophobicContact CG-CG 4.38Å; L480-Q484 WeakPolarHBondContact O-CB 3.38Å; L480-Q484 WeakPolarHBondContact O-CG 3.45Å; L480-Q484 PolarHBondContact O-N 3.48Å; I481-Q484 WeakPolarHBondContact O-CA 3.46Å; I481-Q484 WeakPolarHBondContact O-CB 3.34Å; I481-Q484 PolarHBondContact O-N 3.5Å; Q484-T486 PolarHBondContact O-N 3.18Å; Q484-H487 WeakPolarHBondContact O-CB 3.32Å; Q484-H487 PolarHBondContact O-N 3.49Å; Q484-T488 PolarHBondContact O-N 2.94Å
485	E	88	Confident	82.8	Confident	104 Å²	104	76 Å²	76	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-22.2	173	-70.5	174.3	174.7	0	0	113.1	I481 H483 H487 T488 N489	I481-E485 WeakPolarHBondContact O-CG 3.09Å; I481-E485 PolarHBondContact O-N 3.12Å; H483-E485 VanDerWaalsContact C-N 3.26Å; H483-E485 PolarHBondContact O-N 3.26Å; E485-H487 VanDerWaalsContact C-N 3.34Å; E485-T488 WeakPolarHBondContact CA-OG1 3.49Å; E485-T488 PolarHBondContact O-N 3.46Å; E485-T488 PolarHBondContact O-OG1 2.7Å; E485-N489 PolarHBondContact O-N 3.11Å; E485-N489 PolarHBondContact O-ND2 3.19Å
486	T	86.7	Confident	82.7	Confident	66 Å²	66	79.5 Å²	79.5	41%	0.405	43%	0.428	S	S	.	.	H	α-helix	trans	-73.5	-28.6	173.8	70.4	0	0	0	0	112.1	H483 Q484 T488 E490	H483-T486 PolarHBondContact O-N 2.89Å; H483-T486 VanDerWaalsContact O-N 3.12Å; H483-T486 PolarHBondContact O-OG1 3.17Å; Q484-T486 PolarHBondContact O-N 3.18Å; T486-T488 VanDerWaalsContact C-N 3.32Å; T486-E490 PolarHBondContact O-N 3.42Å
487	H	83.8	Confident	82.6	Confident	59 Å²	59	83.6 Å²	83.6	27%	0.273	45%	0.45	S	S	.	.	H	α-helix	trans	-76.1	-21.5	174.7	-61.8	-64.4	0	0	0	112.7	C467 H483 Q484 E485	C467-H487 PolarHBondContact SG-NE2 2.99Å; H483-H487 AromaticContact CD2-NE2 3.97Å; H483-H487 AromaticContact CE1-CE1 3.89Å; H483-H487 AromaticContact CE1-NE2 3.26Å; H483-H487 PolarHBondContact CE1-NE2 3.16Å; H483-H487 VanDerWaalsContact CE1-NE2 3.26Å; H483-H487 AromaticContact NE2-CD2 3.95Å; H483-H487 AromaticContact NE2-CE1 3.98Å; H483-H487 AromaticContact NE2-NE2 3.06Å; H483-H487 PolarHBondContact NE2-NE2 3.36Å; Q484-H487 WeakPolarHBondContact O-CB 3.32Å; Q484-H487 PolarHBondContact O-N 3.49Å; E485-H487 VanDerWaalsContact C-N 3.34Å
488	T	75.9	Confident	82.3	Confident	106 Å²	106	83.8 Å²	83.8	65%	0.65	45%	0.452	S	S	*	.	H	α-helix	trans	-88.8	-19.5	177.6	56.7	0	0	0	0	113.6	Q484 E485 T486	Q484-T488 PolarHBondContact O-N 2.94Å; E485-T488 WeakPolarHBondContact CA-OG1 3.49Å; E485-T488 PolarHBondContact O-N 3.46Å; E485-T488 PolarHBondContact O-OG1 2.7Å; T486-T488 VanDerWaalsContact C-N 3.32Å
489	N	64.2	Low	81.8	Confident	142 Å²	142	84.3 Å²	84.3	76%	0.759	44%	0.443	S	S	*	.			trans	-97.5	-5.2	178.8	-72.9	-52.9	0	0	0	113.1	E485	E485-N489 PolarHBondContact O-N 3.11Å; E485-N489 PolarHBondContact O-ND2 3.19Å
490	E	54.1	Low	81.3	Confident	214 Å²	214	85.3 Å²	85.3	100%	1	45%	0.448	S	S	*	.			trans	-89.6	0	163.8	-73.8	-178.1	173.9	0	0	109.6	T486	T486-E490 PolarHBondContact O-N 3.42Å

Retrieved 490 of 490 residues in 232.1 ms (Link to these results)

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