A0A087YG19_POEFO Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A087YG19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 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	33.5	Very low	29.5	Very low	245 Å²	245	133.2 Å²	133.2	100%	1.207	83%	0.832	S	S	*	*				0	127.7	0	-109.7	167.7	157.8	0	0	107.7
2	Y	25.7	Very low	29.7	Very low	218 Å²	218	130.8 Å²	130.8	86%	0.855	82%	0.823	S	S	*	*			trans	-51.9	158.7	170.3	-75.1	-106	0	0	0	111.2
3	V	29.5	Very low	29.9	Very low	124 Å²	124	134.5 Å²	134.5	75%	0.752	82%	0.824	S	S	*	*				-175.3	122.3	64	174.2	0	0	0	0	105.4
4	V	27.5	Very low	30.3	Very low	128 Å²	128	136.4 Å²	136.4	78%	0.776	83%	0.825	S	S	*	*				50.5	145.5	95.1	-177.6	0	0	0	0	114.2
5	A	30.5	Very low	31	Very low	83 Å²	83	135.5 Å²	135.5	69%	0.686	82%	0.82	S	S	*	*			cis	-174.5	163.9	-26.2	0	0	0	0	0	105.1
6	V	29.1	Very low	31.6	Very low	148 Å²	148	133.4 Å²	133.4	90%	0.897	81%	0.807	S	S	*	*			trans	175.3	126.2	140.9	-179.5	0	0	0	0	104.8
7	G	26.9	Very low	32.2	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	79%	0.787	S	S	*	*			cis	115.6	108.4	34.2	0	0	0	0	0	107.4
8	G	30.4	Very low	32.8	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	78%	0.78	S	S	*	*			trans	-76.1	162.2	178.3	0	0	0	0	0	112.8
9	T	29.1	Very low	33.5	Very low	151 Å²	151	127.1 Å²	127.1	93%	0.926	77%	0.768	S	S	*	*			trans	-144.1	146	153.1	38.8	0	0	0	0	111.5
10	S	31.4	Very low	34.1	Very low	111 Å²	111	125.9 Å²	125.9	78%	0.776	76%	0.756	S	S	*	*			trans	-67.5	152.8	-173.1	177.2	0	0	0	0	114.5
11	S	31.1	Very low	34.7	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	75%	0.747	S	S	*	*			trans	-131.1	120.7	153	169.7	0	0	0	0	109.8
12	S	32.2	Very low	35.1	Very low	104 Å²	104	115.6 Å²	115.6	73%	0.727	71%	0.71	S	S	*	*			trans	-52.8	132.1	-174.5	-30.2	0	0	0	0	115	L14	S12-L14 PolarHBondContact O-N 2.99Å
13	H	31.8	Very low	36	Very low	179 Å²	179	108.2 Å²	108.2	83%	0.829	69%	0.69	S	S	*	*			trans	-75.9	115.1	166.5	-73.3	-83	0	0	0	110.6	V15	H13-V15 HydrophobicContact CB-CG2 4.22Å; H13-V15 PolarHBondContact O-N 3.24Å
14	L	35.4	Very low	36.4	Very low	161 Å²	161	110.3 Å²	110.3	84%	0.843	69%	0.685	S	S	*	*			trans	-78.4	96.4	155.4	-107	107.9	0	0	0	107.9	S12 V16	S12-L14 PolarHBondContact O-N 2.99Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 HydrophobicContact CD2-CG2 4.47Å; L14-V16 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact O-N 3.13Å
15	V	40.6	Very low	37	Very low	123 Å²	123	109.7 Å²	109.7	75%	0.745	68%	0.676	S	S	*	*			trans	-78.9	88.4	167.1	-177.9	0	0	0	0	107.3	H13	H13-V15 HydrophobicContact CB-CG2 4.22Å; H13-V15 PolarHBondContact O-N 3.24Å
16	V	40.2	Very low	37.5	Very low	102 Å²	102	111.6 Å²	111.6	62%	0.618	68%	0.675	S	S	*	*			trans	-71.9	123.8	161.1	-179.3	0	0	0	0	106.3	L14 I18	L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 HydrophobicContact CD2-CG2 4.47Å; L14-V16 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact O-N 3.13Å; V16-I18 PolarHBondContact O-N 3.13Å
17	P	42	Very low	37.9	Very low	71 Å²	71	110.5 Å²	110.5	46%	0.461	66%	0.663	S	S	.	*			trans	-70.5	103.8	-175.4	27.7	-31.7	0	0	0	109.5	S19 I20	P17-S19 PolarHBondContact O-N 3.21Å; P17-I20 HydrophobicContact CG-CD1 4.32Å; P17-I20 PolarHBondContact O-N 3.36Å
18	I	44.3	Very low	38.3	Very low	130 Å²	130	114.4 Å²	114.4	67%	0.667	66%	0.661	S	S	*	*	H	α-helix	trans	-56.4	-13.2	173.3	-65	168.8	0	0	0	112	V16 I20 T21 C22	V16-I18 PolarHBondContact O-N 3.13Å; I18-I20 PolarHBondContact O-N 3.11Å; I18-T21 PolarHBondContact O-OG1 3.09Å; I18-C22 PolarHBondContact O-N 3.3Å
19	S	45.9	Very low	38.6	Very low	79 Å²	79	119.2 Å²	119.2	55%	0.552	66%	0.66	S	S	*	*	H	α-helix	trans	-72.4	-24.3	-178.8	82	0	0	0	0	114.2	P17 S23	P17-S19 PolarHBondContact O-N 3.21Å; S19-S23 PolarHBondContact O-N 3.4Å; S19-S23 PolarHBondContact O-OG 3.37Å
20	I	45.6	Very low	38.7	Very low	103 Å²	103	118.5 Å²	118.5	53%	0.528	65%	0.651	S	S	.	*	H	α-helix	trans	-83.1	-34.3	-177.3	-54.7	-179.9	0	0	0	110.9	P17 I18 S23 W24	P17-I20 HydrophobicContact CG-CD1 4.32Å; P17-I20 PolarHBondContact O-N 3.36Å; I18-I20 PolarHBondContact O-N 3.11Å; I20-S23 PolarHBondContact O-N 3.27Å; I20-W24 PolarHBondContact O-N 3.41Å
21	T	46.4	Very low	38.8	Very low	93 Å²	93	116.5 Å²	116.5	57%	0.571	64%	0.637	S	S	*	*	H	α-helix	trans	-73.4	-31.9	176.1	48.9	0	0	0	0	113	I18 L25	I18-T21 PolarHBondContact O-OG1 3.09Å; T21-L25 PolarHBondContact O-N 3.38Å
22	C	42.3	Very low	39.1	Very low	63 Å²	63	115.8 Å²	115.8	43%	0.426	64%	0.638	S	S	.	*	H	α-helix	trans	-71.7	-28.4	174.1	-76.2	0	0	0	0	113.1	I18 W24 L26	I18-C22 PolarHBondContact O-N 3.3Å; C22-W24 VanDerWaalsContact C-N 3.35Å; C22-L26 WeakPolarHBondContact O-CB 3.37Å; C22-L26 WeakPolarHBondContact O-CG 3.45Å; C22-L26 PolarHBondContact O-N 3.07Å
23	S	44.4	Very low	39.5	Very low	63 Å²	63	119.9 Å²	119.9	44%	0.441	64%	0.643	S	S	.	*	H	α-helix	trans	-72	-30.4	178.2	-60.1	0	0	0	0	112.2	S19 I20 L27	S19-S23 PolarHBondContact O-N 3.4Å; S19-S23 PolarHBondContact O-OG 3.37Å; I20-S23 PolarHBondContact O-N 3.27Å; S23-L27 WeakPolarHBondContact O-CD1 3.49Å; S23-L27 VanDerWaalsContact O-CG 3.31Å; S23-L27 WeakPolarHBondContact O-CG 3.43Å; S23-L27 PolarHBondContact O-N 2.9Å; S23-L27 VanDerWaalsContact O-N 3.15Å
24	W	36.9	Very low	40.9	Very low	168 Å²	168	114.1 Å²	114.1	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-79.5	-34.9	175.6	-72	60.5	0	0	0	111.9	I20 C22 L26 L27 F28	I20-W24 PolarHBondContact O-N 3.41Å; C22-W24 VanDerWaalsContact C-N 3.35Å; W24-L26 VanDerWaalsContact C-N 3.31Å; W24-L26 PolarHBondContact O-N 3.09Å; W24-L27 PolarHBondContact O-N 3.31Å; W24-F28 VanDerWaalsContact O-CD2 3.3Å; W24-F28 WeakPolarHBondContact O-CD2 3.34Å; W24-F28 PolarHBondContact O-N 2.82Å
25	L	41	Very low	43.1	Very low	114 Å²	114	110.8 Å²	110.8	60%	0.597	61%	0.612	S	S	*	*	H	α-helix	trans	-66.4	-31	171.8	-81.4	158	0	0	0	112.8	T21 F29	T21-L25 PolarHBondContact O-N 3.38Å; L25-F29 WeakPolarHBondContact O-CD2 3.46Å
26	L	39.6	Very low	45.6	Very low	124 Å²	124	107.7 Å²	107.7	65%	0.649	59%	0.588	S	S	*	*	H	α-helix	trans	-78.1	-22	172.4	-72.2	166.8	0	0	0	113.4	C22 W24	C22-L26 WeakPolarHBondContact O-CB 3.37Å; C22-L26 WeakPolarHBondContact O-CG 3.45Å; C22-L26 PolarHBondContact O-N 3.07Å; W24-L26 VanDerWaalsContact C-N 3.31Å; W24-L26 PolarHBondContact O-N 3.09Å
27	L	37.9	Very low	48.3	Very low	124 Å²	124	104.3 Å²	104.3	65%	0.649	57%	0.569	S	S	*	*	H	α-helix	trans	-83.7	-22.4	171.2	-74.7	166.1	0	0	0	113	S23 W24	S23-L27 WeakPolarHBondContact O-CD1 3.49Å; S23-L27 VanDerWaalsContact O-CG 3.31Å; S23-L27 WeakPolarHBondContact O-CG 3.43Å; S23-L27 PolarHBondContact O-N 2.9Å; S23-L27 VanDerWaalsContact O-N 3.15Å; W24-L27 PolarHBondContact O-N 3.31Å
28	F	36.2	Very low	51	Low	150 Å²	150	101 Å²	101	66%	0.658	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.3	171.3	-89	-74.9	0	0	0	114.5	W24 S31	W24-F28 VanDerWaalsContact O-CD2 3.3Å; W24-F28 WeakPolarHBondContact O-CD2 3.34Å; W24-F28 PolarHBondContact O-N 2.82Å; F28-S31 PolarHBondContact O-OG 3.29Å
29	F	35.8	Very low	53.4	Low	178 Å²	178	97.1 Å²	97.1	78%	0.781	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.9	170.1	-91.2	-81.7	0	0	0	114.2	L25	L25-F29 WeakPolarHBondContact O-CD2 3.46Å
30	N	32.5	Very low	55.9	Low	136 Å²	136	97.7 Å²	97.7	73%	0.727	52%	0.522	S	S	*	.			trans	-111.9	29.5	167.2	-78.4	-56.2	0	0	0	111.7	A32	N30-A32 PolarHBondContact O-N 2.95Å
31	S	33	Very low	58.3	Low	70 Å²	70	94.1 Å²	94.1	49%	0.49	51%	0.506	S	S	.	.			trans	-63.9	98.9	149.5	53.8	0	0	0	0	105.9	F28 F33	F28-S31 PolarHBondContact O-OG 3.29Å; S31-F33 PolarHBondContact O-N 2.86Å
32	A	37.8	Very low	60.6	Low	97 Å²	97	91.7 Å²	91.7	80%	0.802	49%	0.489	S	S	*	.			trans	-54.8	82.8	167.3	0	0	0	0	0	108.5	N30 G34	N30-A32 PolarHBondContact O-N 2.95Å; A32-G34 PolarHBondContact O-N 3.24Å
33	F	40.7	Very low	63.2	Low	190 Å²	190	91.1 Å²	91.1	83%	0.833	48%	0.481	S	S	*	.			trans	-65.3	88.2	148.8	-86.9	-83.8	0	0	0	104	S31 Q35	S31-F33 PolarHBondContact O-N 2.86Å; F33-Q35 PolarHBondContact O-N 3.41Å
34	G	59.9	Low	65.6	Low	58 Å²	58	98.1 Å²	98.1	60%	0.598	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-47.6	134.4	174.6	0	0	0	0	0	108.2	A32 K36	A32-G34 PolarHBondContact O-N 3.24Å; G34-K36 PolarHBondContact O-N 2.93Å
35	Q	82.3	Confident	68.2	Low	90 Å²	90	98.3 Å²	98.3	42%	0.421	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-50	122.1	172	-179.4	178.1	0.8	0	0	107.4	F33 R435 H437	F33-Q35 PolarHBondContact O-N 3.41Å; Q35-R435 VanDerWaalsContact OE1-CZ 3.28Å; Q35-H437 PolarHBondContact NE2-CD2 3.02Å; Q35-H437 PolarHBondContact NE2-CE1 3.16Å; Q35-H437 VanDerWaalsContact NE2-CE1 3.25Å; Q35-H437 PolarHBondContact NE2-ND1 2.95Å; Q35-H437 PolarHBondContact NE2-NE2 3.43Å
36	K	93.9	Very high	70.9	Confident	58 Å²	58	95.6 Å²	95.6	25%	0.252	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.8	146.4	179.5	-67.4	179.9	178.6	-175	0	109.4	G34 S291 T293 R295 D298 H437	G34-K36 PolarHBondContact O-N 2.93Å; K36-S291 WeakPolarHBondContact CE-O 3.4Å; K36-S291 PolarHBondContact NZ-O 3.23Å; K36-T293 PolarHBondContact NZ-O 2.98Å; K36-R295 PolarHBondContact NZ-O 3.44Å; K36-D298 WeakPolarHBondContact CB-OD1 3.22Å; K36-H437 PolarHBondContact O-NE2 3.31Å
37	P	96.6	Very high	73.7	Confident	32 Å²	32	89.9 Å²	89.9	21%	0.208	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-57.9	149.4	174.5	24.7	-34.4	0	0	0	111	E296 Y297 D298 C438 E440	P37-E296 VanDerWaalsContact CD-O 3.29Å; P37-E296 WeakPolarHBondContact CD-O 3.33Å; P37-E296 WeakPolarHBondContact CG-O 3.41Å; P37-Y297 CarbonylContact O-C 3.49Å; P37-Y297 WeakPolarHBondContact O-CA 3.44Å; P37-Y297 WeakPolarHBondContact O-CB 3.18Å; P37-D298 PolarHBondContact O-N 3.3Å; P37-C438 CarbonylContact C-O 3.58Å; P37-C438 WeakPolarHBondContact CA-O 3.41Å; P37-E440 HydrophobicContact CB-CB 4.34Å; P37-E440 HydrophobicContact CG-CB 4.39Å
38	A	97.3	Very high	76.6	Confident	2 Å²	2	84.2 Å²	84.2	2%	0.017	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-69.5	146.7	168	0	0	0	0	0	109.8	H437 C438 Y439 E440	A38-H437 PolarHBondContact N-NE2 2.92Å; A38-C438 PolarHBondContact N-O 3Å; A38-Y439 HydrophobicContact CB-CD1 3.84Å; A38-Y439 HydrophobicContact CB-CE1 4.18Å; A38-Y439 CarbonylContact O-C 3.52Å; A38-Y439 WeakPolarHBondContact O-CA 3.49Å; A38-E440 PolarHBondContact O-N 2.65Å
39	K	96.4	Very high	79.6	Confident	48 Å²	48	77.1 Å²	77.1	21%	0.209	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-59	146	168.1	-169.4	170.9	-173.7	149.1	0	111.2	L215 Y297 P300 Y439	K39-L215 HydrophobicContact CD-CD2 4.46Å; K39-Y297 HydrophobicContact CB-CD2 3.75Å; K39-Y297 HydrophobicContact CB-CE2 4.1Å; K39-Y297 HydrophobicContact CB-CG 4.2Å; K39-Y297 HydrophobicContact CD-CD2 4.23Å; K39-Y297 HydrophobicContact CD-CE2 3.69Å; K39-Y297 HydrophobicContact CG-CD2 4.15Å; K39-Y297 HydrophobicContact CG-CE2 4.09Å; K39-Y297 HydrophobicContact CG-CG 4.49Å; K39-Y297 PolarHBondContact NZ-OH 3.49Å; K39-P300 HydrophobicContact CB-CG 4.42Å; K39-P300 HydrophobicContact CD-CG 3.97Å; K39-Y439 WeakPolarHBondContact O-CD1 3.27Å
40	L	96.5	Very high	82.6	Confident	91 Å²	91	68.7 Å²	68.7	48%	0.476	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-49.3	143.7	171.1	-77.9	168.7	0	0	0	111.5	L42 Y439 E440	L40-L42 PolarHBondContact O-N 2.88Å; L40-Y439 HydrophobicContact CD2-CG 4.42Å; L40-E440 HydrophobicContact CB-CG 4.46Å; L40-E440 WeakPolarHBondContact CB-OE1 3.46Å; L40-E440 HydrophobicContact CD1-CG 4.16Å; L40-E440 HydrophobicContact CG-CG 3.67Å; L40-E440 WeakPolarHBondContact CG-OE1 3.37Å; L40-E440 PolarHBondContact N-OE1 3.04Å
41	P	96.4	Very high	85.7	Confident	28 Å²	28	62.2 Å²	62.2	18%	0.182	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.6	138.1	-178	28.8	-34.7	0	0	0	110.4	I43 K46 Y439	P41-I43 WeakPolarHBondContact CB-O 3.44Å; P41-I43 PolarHBondContact O-N 3.17Å; P41-I43 VanDerWaalsContact O-N 3.14Å; P41-K46 WeakPolarHBondContact CB-O 3.42Å; P41-Y439 HydrophobicContact CG-CE2 4.08Å
42	L	95.9	Very high	88.7	Confident	42 Å²	42	59.1 Å²	59.1	22%	0.22	30%	0.297	C	S	.	.	S	Bend	trans	-55.8	-34.2	179.9	179.3	64	0	0	0	112.2	L40 I49 I75 L142 L215 Y302	L40-L42 PolarHBondContact O-N 2.88Å; L42-I49 HydrophobicContact CB-CD1 4.37Å; L42-I49 HydrophobicContact CD2-CD1 3.73Å; L42-I75 HydrophobicContact CD2-CD1 3.89Å; L42-L142 HydrophobicContact CD2-CD2 4Å; L42-L215 HydrophobicContact CB-CD1 4.43Å; L42-L215 HydrophobicContact CD1-CD1 3.95Å; L42-L215 HydrophobicContact CD2-CD1 4.25Å; L42-L215 HydrophobicContact CG-CD1 4.44Å; L42-Y302 WeakPolarHBondContact CB-OH 3.39Å
43	I	96.3	Very high	91.5	Very high	51 Å²	51	54.5 Å²	54.5	26%	0.262	26%	0.259	S	S	.	.	S	Bend	trans	-119.8	128	173.8	-59.4	171.8	0	0	0	107.6	P41 R45 K46 I49 H74 I75	P41-I43 WeakPolarHBondContact CB-O 3.44Å; P41-I43 PolarHBondContact O-N 3.17Å; P41-I43 VanDerWaalsContact O-N 3.14Å; I43-R45 PolarHBondContact O-N 3.35Å; I43-K46 HydrophobicContact CB-CB 4.01Å; I43-K46 HydrophobicContact CB-CG 3.98Å; I43-K46 HydrophobicContact CG2-CB 4.23Å; I43-K46 HydrophobicContact CG2-CG 3.63Å; I43-K46 WeakPolarHBondContact O-CB 3.34Å; I43-K46 PolarHBondContact O-N 3.15Å; I43-I49 HydrophobicContact CB-CG2 4.47Å; I43-I49 HydrophobicContact CD1-CG2 4.24Å; I43-H74 HydrophobicContact CD1-CB 3.42Å; I43-H74 VanDerWaalsContact CD1-CB 3.42Å; I43-I75 HydrophobicContact CD1-CG2 4.15Å
44	R	94.2	Very high	94.1	Very high	209 Å²	209	45.6 Å²	45.6	79%	0.789	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	134	-177.9	-171.6	176.8	-178.2	-178.4	1.8	110.6	K46	R44-K46 PolarHBondContact O-N 3.02Å
45	R	93.3	Very high	95.7	Very high	172 Å²	172	42.8 Å²	42.8	65%	0.649	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	15	-177.6	-63.6	178.7	179.8	178.9	-0.6	115.3	I43 P47	I43-R45 PolarHBondContact O-N 3.35Å; R45-P47 VanDerWaalsContact O-CD 3.28Å; R45-P47 WeakPolarHBondContact O-CD 3.47Å
46	K	97.4	Very high	96.1	Very high	57 Å²	57	38.9 Å²	38.9	25%	0.248	17%	0.174	C	C	.	.			trans	-110.7	90.6	173	-60.4	-64.1	-171.4	158.3	0	110	P41 I43 R44 F48 I49 H74 E375	P41-K46 WeakPolarHBondContact CB-O 3.42Å; I43-K46 HydrophobicContact CB-CB 4.01Å; I43-K46 HydrophobicContact CB-CG 3.98Å; I43-K46 HydrophobicContact CG2-CB 4.23Å; I43-K46 HydrophobicContact CG2-CG 3.63Å; I43-K46 WeakPolarHBondContact O-CB 3.34Å; I43-K46 PolarHBondContact O-N 3.15Å; R44-K46 PolarHBondContact O-N 3.02Å; K46-F48 PolarHBondContact O-N 3.07Å; K46-I49 HydrophobicContact CB-CG2 3.7Å; K46-H74 WeakPolarHBondContact CD-NE2 3.44Å; K46-H74 WeakPolarHBondContact CE-NE2 3.27Å; K46-H74 PolarHBondContact NZ-NE2 3.41Å; K46-E375 HydrophobicContact CD-CG 4.44Å; K46-E375 WeakPolarHBondContact CD-OE1 3.48Å; K46-E375 VanDerWaalsContact CE-OE1 3.27Å; K46-E375 WeakPolarHBondContact CE-OE1 3.45Å; K46-E375 IonicContact NZ-OE1 3.29Å; K46-E375 PolarHBondContact NZ-OE1 3.47Å
47	P	98.1	Very high	95.9	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.032	17%	0.169	C	C	.	.	S	Bend	trans	-67.5	-26.5	-178.3	27.1	-34.8	0	0	0	113	R45 A374 R387 Y439	R45-P47 VanDerWaalsContact O-CD 3.28Å; R45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-A374 HydrophobicContact CG-CB 3.95Å; P47-A374 WeakPolarHBondContact CG-O 3.33Å; P47-R387 HydrophobicContact CB-CB 4.04Å; P47-Y439 VanDerWaalsContact CA-OH 3.29Å; P47-Y439 WeakPolarHBondContact CA-OH 3.42Å; P47-Y439 VanDerWaalsContact CB-OH 3.32Å; P47-Y439 WeakPolarHBondContact CB-OH 3.39Å
48	F	98.8	Very high	95.7	Very high	5 Å²	5	37 Å²	37	2%	0.022	17%	0.165	C	C	.	.	S	Bend	trans	-137.1	111.9	178.8	-174.6	-111.8	0	0	0	109.8	K46 I326 A330 A334 A335 F337 V370 T371 A374	K46-F48 PolarHBondContact O-N 3.07Å; F48-I326 HydrophobicContact CE1-CG2 3.85Å; F48-I326 HydrophobicContact CZ-CG2 4.09Å; F48-A330 HydrophobicContact CD1-CB 3.82Å; F48-A330 HydrophobicContact CD2-CB 4.03Å; F48-A330 HydrophobicContact CE1-CB 3.72Å; F48-A330 HydrophobicContact CE2-CB 3.95Å; F48-A330 HydrophobicContact CG-CB 3.96Å; F48-A330 HydrophobicContact CZ-CB 3.77Å; F48-A334 WeakPolarHBondContact CD2-O 3.33Å; F48-A334 HydrophobicContact CE2-CB 4.36Å; F48-A335 WeakPolarHBondContact CA-O 3.35Å; F48-F337 HydrophobicContact CD1-CD1 4.5Å; F48-F337 AromaticContact CE1-CD1 3.52Å; F48-F337 HydrophobicContact CE1-CD1 3.52Å; F48-F337 AromaticContact CE1-CE1 3.7Å; F48-F337 HydrophobicContact CE1-CE1 3.7Å; F48-F337 HydrophobicContact CE2-CD1 4.34Å; F48-F337 HydrophobicContact CZ-CB 4.49Å; F48-F337 AromaticContact CZ-CD1 3.44Å; F48-F337 HydrophobicContact CZ-CD1 3.44Å; F48-F337 VanDerWaalsContact CZ-CD1 3.44Å; F48-F337 HydrophobicContact CZ-CE1 4.12Å; F48-F337 HydrophobicContact CZ-CG 4.4Å; F48-V370 HydrophobicContact CD1-CG2 4.47Å; F48-V370 HydrophobicContact CE1-CG1 4.27Å; F48-V370 HydrophobicContact CE1-CG2 4.26Å; F48-T371 HydrophobicContact CD1-CG2 4.22Å; F48-A374 HydrophobicContact CB-CB 3.89Å
49	I	98.3	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.5	-178.2	70.7	172.1	0	0	0	112.6	L42 I43 K46 H74 I75 Y302 A335 G336 F337	L42-I49 HydrophobicContact CB-CD1 4.37Å; L42-I49 HydrophobicContact CD2-CD1 3.73Å; I43-I49 HydrophobicContact CB-CG2 4.47Å; I43-I49 HydrophobicContact CD1-CG2 4.24Å; K46-I49 HydrophobicContact CB-CG2 3.7Å; I49-H74 HydrophobicContact CB-CB 4.23Å; I49-H74 HydrophobicContact CG2-CB 4.49Å; I49-I75 HydrophobicContact CD1-CD1 3.76Å; I49-I75 HydrophobicContact CD1-CG1 4.16Å; I49-Y302 HydrophobicContact CD1-CD1 4.35Å; I49-Y302 HydrophobicContact CD1-CE1 3.6Å; I49-Y302 HydrophobicContact CG1-CD1 4.24Å; I49-Y302 HydrophobicContact CG1-CE1 3.7Å; I49-A335 PolarHBondContact N-O 3.26Å; I49-G336 CarbonylContact O-C 3.53Å; I49-G336 WeakPolarHBondContact O-CA 3.07Å; I49-F337 PolarHBondContact O-N 3.29Å
50	A	98.4	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.9	167.3	0	0	0	0	0	110	F73 H74 F337 I367	A50-F73 HydrophobicContact CB-CD1 3.83Å; A50-F73 HydrophobicContact CB-CE1 4.35Å; A50-F73 CarbonylContact O-C 3.49Å; A50-H74 PolarHBondContact N-ND1 2.92Å; A50-H74 VanDerWaalsContact N-ND1 3.18Å; A50-H74 PolarHBondContact O-N 3.1Å; A50-F337 HydrophobicContact CB-CE1 3.58Å; A50-F337 HydrophobicContact CB-CE2 4.09Å; A50-F337 HydrophobicContact CB-CZ 3.3Å; A50-I367 HydrophobicContact CB-CG2 3.7Å
51	A	98.2	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.5	177.2	0	0	0	0	0	111.9	I75 V88 L142 F337 I338 I339	A51-I75 VanDerWaalsContact CA-O 3.31Å; A51-I75 WeakPolarHBondContact CA-O 3.32Å; A51-I75 HydrophobicContact CB-CD1 3.92Å; A51-I75 HydrophobicContact CB-CG1 3.54Å; A51-V88 HydrophobicContact CB-CG2 4.09Å; A51-L142 HydrophobicContact CB-CD1 4.25Å; A51-F337 WeakPolarHBondContact CB-O 3.35Å; A51-F337 PolarHBondContact N-O 2.89Å; A51-I338 HydrophobicContact CB-CB 4.31Å; A51-I338 HydrophobicContact CB-CG1 3.81Å; A51-I338 HydrophobicContact CB-CG2 4.43Å; A51-I338 WeakPolarHBondContact O-CA 3.43Å; A51-I339 PolarHBondContact O-N 2.72Å
52	W	97.2	Very high	95.2	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136	177.9	-174.9	-97.8	0	0	0	111.7	A54 L56 L69 F73 I75 Q76 G77 L307 I339 L359	W52-A54 HydrophobicContact CH2-CB 4.4Å; W52-A54 HydrophobicContact CZ2-CB 3.65Å; W52-A54 PolarHBondContact NE1-O 3.5Å; W52-L56 HydrophobicContact CZ2-CB 4Å; W52-L56 HydrophobicContact CZ2-CD2 4.15Å; W52-L56 HydrophobicContact CZ2-CG 4.48Å; W52-L69 HydrophobicContact CD2-CD1 4.24Å; W52-L69 HydrophobicContact CD2-CD2 4.05Å; W52-L69 HydrophobicContact CE3-CD2 4.28Å; W52-L69 HydrophobicContact CG-CD1 4.09Å; W52-L69 HydrophobicContact CG-CD2 4.45Å; W52-L69 HydrophobicContact CZ2-CD2 4.35Å; W52-L69 HydrophobicContact CZ3-CD2 4.49Å; W52-F73 HydrophobicContact CB-CB 4.09Å; W52-F73 HydrophobicContact CB-CD1 3.99Å; W52-F73 HydrophobicContact CB-CD2 4.1Å; W52-F73 HydrophobicContact CB-CG 3.78Å; W52-F73 HydrophobicContact CD2-CD2 4.49Å; W52-F73 HydrophobicContact CD2-CE2 4.25Å; W52-F73 HydrophobicContact CD2-CZ 4.4Å; W52-F73 HydrophobicContact CE3-CD1 4.37Å; W52-F73 HydrophobicContact CE3-CD2 4.1Å; W52-F73 AromaticContact CE3-CE1 3.79Å; W52-F73 HydrophobicContact CE3-CE1 3.79Å; W52-F73 AromaticContact CE3-CE2 3.49Å; W52-F73 HydrophobicContact CE3-CE2 3.49Å; W52-F73 VanDerWaalsContact CE3-CE2 3.49Å; W52-F73 AromaticContact CE3-CZ 3.32Å; W52-F73 HydrophobicContact CE3-CZ 3.32Å; W52-F73 HydrophobicContact CZ3-CE1 4.47Å; W52-F73 AromaticContact CZ3-CE2 3.92Å; W52-F73 HydrophobicContact CZ3-CE2 3.92Å; W52-F73 AromaticContact CZ3-CZ 3.69Å; W52-F73 HydrophobicContact CZ3-CZ 3.69Å; W52-I75 PolarHBondContact N-O 3.28Å; W52-Q76 HydrophobicContact CB-CB 4.25Å; W52-Q76 CarbonylContact O-C 3.54Å; W52-G77 PolarHBondContact O-N 3.41Å; W52-L307 HydrophobicContact CH2-CD1 3.74Å; W52-L307 HydrophobicContact CH2-CD2 4.25Å; W52-L307 HydrophobicContact CH2-CG 4.38Å; W52-L307 HydrophobicContact CZ3-CD1 4.29Å; W52-L307 HydrophobicContact CZ3-CD2 3.97Å; W52-L307 HydrophobicContact CZ3-CG 4.46Å; W52-I339 HydrophobicContact CE3-CB 4.03Å; W52-I339 HydrophobicContact CE3-CG2 4.06Å; W52-I339 HydrophobicContact CZ3-CB 4.25Å; W52-I339 HydrophobicContact CZ3-CD1 4.43Å; W52-I339 HydrophobicContact CZ3-CG2 3.82Å; W52-L359 HydrophobicContact CH2-CD1 3.9Å; W52-L359 HydrophobicContact CH2-CD2 3.91Å; W52-L359 HydrophobicContact CH2-CG 4.43Å; W52-L359 HydrophobicContact CZ3-CD1 4.43Å; W52-L359 HydrophobicContact CZ3-CD2 3.65Å
53	N	96.1	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	58.1	176.1	-167	18	0	0	0	111.7	G77 V88 I90 Y304 I338 I339 W340 G341	N53-G77 WeakPolarHBondContact CA-O 3.4Å; N53-V88 HydrophobicContact CB-CG1 3.96Å; N53-I90 WeakPolarHBondContact ND2-CB 3.25Å; N53-I90 WeakPolarHBondContact ND2-CG2 3.2Å; N53-Y304 PolarHBondContact ND2-OH 3.27Å; N53-I338 HydrophobicContact CB-CG2 3.8Å; N53-I339 CarbonylContact C-O 3.45Å; N53-I339 WeakPolarHBondContact CA-O 3.36Å; N53-I339 PolarHBondContact N-O 2.84Å; N53-W340 WeakPolarHBondContact O-CA 3.16Å; N53-G341 PolarHBondContact O-N 3.49Å
54	A	94.7	Very high	95.2	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	22%	0.216	C	C	.	.	S	Bend	trans	-137.8	152.7	176.9	0	0	0	0	0	111.1	W52 L56 L345	W52-A54 HydrophobicContact CH2-CB 4.4Å; W52-A54 HydrophobicContact CZ2-CB 3.65Å; W52-A54 PolarHBondContact NE1-O 3.5Å; A54-L56 PolarHBondContact O-N 2.87Å; A54-L345 HydrophobicContact CB-CD1 4.36Å
55	P	93.3	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.			trans	-81.2	46	-165.6	34.4	-37.4	0	0	0	113.8	D57 M58 P79 R80 G341 L343 T346	P55-D57 VanDerWaalsContact CA-OD1 3.32Å; P55-D57 WeakPolarHBondContact CA-OD1 3.21Å; P55-D57 PolarHBondContact O-N 3.28Å; P55-M58 HydrophobicContact CB-CG 4.22Å; P55-M58 VanDerWaalsContact O-CB 3.25Å; P55-M58 WeakPolarHBondContact O-CB 3.48Å; P55-M58 WeakPolarHBondContact O-CG 3.31Å; P55-M58 PolarHBondContact O-N 3.39Å; P55-P79 HydrophobicContact CB-CG 4.31Å; P55-P79 HydrophobicContact CG-CG 4.33Å; P55-R80 HydrophobicContact CB-CG 3.91Å; P55-G341 WeakPolarHBondContact CD-O 3.29Å; P55-L343 HydrophobicContact CB-CD2 3.95Å; P55-L343 HydrophobicContact CG-CD2 3.84Å; P55-L343 HydrophobicContact CG-CG 4.4Å; P55-T346 HydrophobicContact CG-CG2 4.3Å; P55-T346 VanDerWaalsContact O-CG2 3.31Å; P55-T346 WeakPolarHBondContact O-CG2 3.42Å
56	L	90.1	Very high	95	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23	-174.7	-161.5	67.5	0	0	0	113.2	W52 A54 M58 C59 T67 L69 V355 L359	W52-L56 HydrophobicContact CZ2-CB 4Å; W52-L56 HydrophobicContact CZ2-CD2 4.15Å; W52-L56 HydrophobicContact CZ2-CG 4.48Å; A54-L56 PolarHBondContact O-N 2.87Å; L56-M58 PolarHBondContact O-N 3.39Å; L56-M58 VanDerWaalsContact O-N 3.15Å; L56-C59 HydrophobicContact CD1-CB 4.38Å; L56-C59 VanDerWaalsContact O-CB 3.25Å; L56-C59 WeakPolarHBondContact O-CB 3.21Å; L56-C59 PolarHBondContact O-N 3.17Å; L56-T67 HydrophobicContact CD2-CG2 4.22Å; L56-L69 HydrophobicContact CB-CD1 4.07Å; L56-L69 HydrophobicContact CD2-CD1 3.65Å; L56-L69 HydrophobicContact CD2-CD2 3.78Å; L56-L69 HydrophobicContact CD2-CG 3.77Å; L56-L69 HydrophobicContact CG-CD1 4.47Å; L56-V355 HydrophobicContact CD1-CB 4.42Å; L56-V355 HydrophobicContact CD1-CG1 3.63Å; L56-L359 HydrophobicContact CD2-CD1 3.81Å
57	D	90	Very high	94.4	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.144	17%	0.17	C	C	.	.	H	α-helix	trans	-54.7	-29.5	171.6	62.7	-66	0	0	0	112.1	P55 C59 T60 I61 S78 R80 W83	P55-D57 VanDerWaalsContact CA-OD1 3.32Å; P55-D57 WeakPolarHBondContact CA-OD1 3.21Å; P55-D57 PolarHBondContact O-N 3.28Å; D57-C59 VanDerWaalsContact C-N 3.28Å; D57-C59 PolarHBondContact O-N 2.81Å; D57-T60 PolarHBondContact O-N 3.44Å; D57-I61 WeakPolarHBondContact O-CG1 3.45Å; D57-I61 PolarHBondContact O-N 3.02Å; D57-S78 PolarHBondContact OD1-OG 3.41Å; D57-R80 IonicContact OD1-NE 3.7Å; D57-R80 IonicContact OD2-CZ 3.31Å; D57-R80 IonicContact OD2-NE 2.91Å; D57-R80 PolarHBondContact OD2-NE 2.91Å; D57-R80 IonicContact OD2-NH2 2.7Å; D57-R80 PolarHBondContact OD2-NH2 2.81Å; D57-W83 HydrophobicContact CB-CZ2 3.67Å; D57-W83 PolarHBondContact OD2-NE1 3.37Å
58	M	92.7	Very high	93.7	Very high	24 Å²	24	34.4 Å²	34.4	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-31.1	172.9	-66.2	-60.9	-62.7	0	0	113.3	P55 L56 T60 I61 K62 R80 L343 T346	P55-M58 HydrophobicContact CB-CG 4.22Å; P55-M58 VanDerWaalsContact O-CB 3.25Å; P55-M58 WeakPolarHBondContact O-CB 3.48Å; P55-M58 WeakPolarHBondContact O-CG 3.31Å; P55-M58 PolarHBondContact O-N 3.39Å; L56-M58 PolarHBondContact O-N 3.39Å; L56-M58 VanDerWaalsContact O-N 3.15Å; M58-T60 VanDerWaalsContact C-N 3.32Å; M58-I61 HydrophobicContact SD-CD1 4.49Å; M58-K62 HydrophobicContact CE-CD 3.75Å; M58-K62 HydrophobicContact CE-CG 4.13Å; M58-K62 VanDerWaalsContact O-CB 3.29Å; M58-K62 WeakPolarHBondContact O-CB 3.22Å; M58-K62 PolarHBondContact O-N 2.79Å; M58-R80 WeakPolarHBondContact SD-CD 3.17Å; M58-L343 HydrophobicContact CG-CD2 4.36Å; M58-T346 HydrophobicContact CB-CG2 4.48Å
59	C	94.9	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-36.5	176.4	-66.5	0	0	0	0	112	L56 D57 Y63 N64 I65 T346 C352	L56-C59 HydrophobicContact CD1-CB 4.38Å; L56-C59 VanDerWaalsContact O-CB 3.25Å; L56-C59 WeakPolarHBondContact O-CB 3.21Å; L56-C59 PolarHBondContact O-N 3.17Å; D57-C59 VanDerWaalsContact C-N 3.28Å; D57-C59 PolarHBondContact O-N 2.81Å; C59-Y63 CarbonylContact O-C 3.59Å; C59-Y63 WeakPolarHBondContact O-CA 3.46Å; C59-Y63 WeakPolarHBondContact O-CB 3.4Å; C59-Y63 PolarHBondContact O-N 2.94Å; C59-Y63 VanDerWaalsContact O-N 3.11Å; C59-N64 PolarHBondContact O-N 3.2Å; C59-I65 CarbonylContact C-O 3.46Å; C59-I65 HydrophobicContact CB-CB 4.32Å; C59-I65 PolarHBondContact O-N 2.86Å; C59-I65 VanDerWaalsContact O-N 3.1Å; C59-T346 WeakPolarHBondContact SG-CG2 3.43Å; C59-C352 WeakPolarHBondContact CA-SG 2.98Å; C59-C352 HydrophobicContact CB-CB 3.62Å; C59-C352 WeakPolarHBondContact CB-SG 3.46Å; C59-C352 VanDerWaalsContact SG-CA 3.54Å; C59-C352 WeakPolarHBondContact SG-CB 3.11Å; C59-C352 CovalentContact SG-SG 2.03Å; C59-C352 PolarHBondContact SG-SG 3.43Å
60	T	93.3	Very high	92.5	Very high	59 Å²	59	41.6 Å²	41.6	36%	0.362	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-51.3	174.4	-59.9	0	0	0	0	109.8	D57 M58 K62 N64 I65 T66	D57-T60 PolarHBondContact O-N 3.44Å; M58-T60 VanDerWaalsContact C-N 3.32Å; T60-K62 PolarHBondContact O-N 3.16Å; T60-N64 WeakPolarHBondContact O-CA 3.39Å; T60-N64 PolarHBondContact O-N 3.3Å; T60-I65 PolarHBondContact N-O 3.15Å; T60-I65 PolarHBondContact OG1-O 2.76Å; T60-I65 VanDerWaalsContact OG1-O 3.13Å; T60-T66 HydrophobicContact CG2-CG2 3.87Å
61	I	93.1	Very high	91.9	Very high	110 Å²	110	48 Å²	48	56%	0.564	24%	0.242	S	C	*	.	H	α-helix	trans	-60.3	-45	-177.3	-66	164.1	0	0	0	112.3	D57 M58	D57-I61 WeakPolarHBondContact O-CG1 3.45Å; D57-I61 PolarHBondContact O-N 3.02Å; M58-I61 HydrophobicContact SD-CD1 4.49Å
62	K	95.4	Very high	91.5	Very high	120 Å²	120	48.3 Å²	48.3	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-89.8	-31.4	-173	-70.6	-177.4	162.8	177.1	0	114.5	M58 T60	M58-K62 HydrophobicContact CE-CD 3.75Å; M58-K62 HydrophobicContact CE-CG 4.13Å; M58-K62 VanDerWaalsContact O-CB 3.29Å; M58-K62 WeakPolarHBondContact O-CB 3.22Å; M58-K62 PolarHBondContact O-N 2.79Å; T60-K62 PolarHBondContact O-N 3.16Å
63	Y	96.6	Very high	91.4	Very high	63 Å²	63	48.3 Å²	48.3	25%	0.247	24%	0.244	C	C	.	.	H	α-helix	trans	-130.8	2.6	-166.2	-50.5	-59.6	0	0	0	114.1	C59 I65 S347 S348 R349 C352	C59-Y63 CarbonylContact O-C 3.59Å; C59-Y63 WeakPolarHBondContact O-CA 3.46Å; C59-Y63 WeakPolarHBondContact O-CB 3.4Å; C59-Y63 PolarHBondContact O-N 2.94Å; C59-Y63 VanDerWaalsContact O-N 3.11Å; Y63-I65 PolarHBondContact O-N 3.49Å; Y63-S347 PolarHBondContact OH-O 2.96Å; Y63-S347 VanDerWaalsContact OH-O 3.07Å; Y63-S348 WeakPolarHBondContact OH-CA 3.29Å; Y63-R349 HydrophobicContact CD1-CB 3.8Å; Y63-R349 HydrophobicContact CD1-CG 4.45Å; Y63-R349 HydrophobicContact CD2-CB 4.48Å; Y63-R349 HydrophobicContact CE1-CB 4.23Å; Y63-R349 HydrophobicContact CG-CB 3.95Å; Y63-R349 HydrophobicContact CG-CG 4.35Å; Y63-C352 HydrophobicContact CD2-CB 4.29Å; Y63-C352 VanDerWaalsContact CD2-SG 3.6Å
64	N	94.7	Very high	91.4	Very high	138 Å²	138	50.8 Å²	50.8	74%	0.738	26%	0.255	S	S	*	.			trans	53.4	33.1	-173.7	-161.7	24.7	0	0	0	112.8	C59 T60	C59-N64 PolarHBondContact O-N 3.2Å; T60-N64 WeakPolarHBondContact O-CA 3.39Å; T60-N64 PolarHBondContact O-N 3.3Å
65	I	93.9	Very high	91.5	Very high	17 Å²	17	51 Å²	51	9%	0.087	26%	0.256	C	S	.	.			trans	-99.5	103.3	175.1	-64.4	175.2	0	0	0	108	C59 T60 Y63 R349 C352 T353 K356	C59-I65 CarbonylContact C-O 3.46Å; C59-I65 HydrophobicContact CB-CB 4.32Å; C59-I65 PolarHBondContact O-N 2.86Å; C59-I65 VanDerWaalsContact O-N 3.1Å; T60-I65 PolarHBondContact N-O 3.15Å; T60-I65 PolarHBondContact OG1-O 2.76Å; T60-I65 VanDerWaalsContact OG1-O 3.13Å; Y63-I65 PolarHBondContact O-N 3.49Å; I65-R349 HydrophobicContact CD1-CG 3.77Å; I65-C352 HydrophobicContact CB-CB 4.48Å; I65-C352 HydrophobicContact CD1-CB 3.81Å; I65-C352 HydrophobicContact CG2-CB 4.45Å; I65-T353 WeakPolarHBondContact CD1-OG1 3.33Å; I65-K356 HydrophobicContact CG2-CB 4.25Å; I65-K356 HydrophobicContact CG2-CD 3.64Å
66	T	89.9	Confident	91.6	Very high	76 Å²	76	53.9 Å²	53.9	47%	0.466	27%	0.269	S	S	.	.			trans	-92.3	145.3	176.1	55.1	0	0	0	0	111.3	T60 K356	T60-T66 HydrophobicContact CG2-CG2 3.87Å; T66-K356 WeakPolarHBondContact O-CD 3.16Å; T66-K356 WeakPolarHBondContact O-CE 3.17Å; T66-K356 PolarHBondContact O-NZ 3.09Å
67	T	84.4	Confident	91.8	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	27%	0.27	C	S	.	.			trans	-135.4	139.7	172.1	-53	0	0	0	0	108.5	L56 L69 L359	L56-T67 HydrophobicContact CD2-CG2 4.22Å; T67-L69 PolarHBondContact O-N 2.94Å; T67-L359 HydrophobicContact CG2-CB 4.17Å; T67-L359 HydrophobicContact CG2-CD1 3.82Å
68	N	83.1	Confident	92	Very high	39 Å²	39	52.7 Å²	52.7	21%	0.209	27%	0.265	C	S	.	.			trans	-84.8	79.6	-177.9	-162.9	-9.1	0	0	0	111.5	H71 T415	N68-H71 VanDerWaalsContact CG-CD2 3.41Å; N68-H71 PolarHBondContact ND2-CD2 3.5Å; N68-H71 PolarHBondContact OD1-CD2 3.14Å; N68-T415 HydrophobicContact CB-CG2 4.19Å; N68-T415 VanDerWaalsContact ND2-CG2 3.26Å; N68-T415 WeakPolarHBondContact ND2-CG2 3.28Å
69	L	87.6	Confident	92	Very high	20 Å²	20	52.1 Å²	52.1	11%	0.105	26%	0.263	C	S	.	.			trans	-71.5	-34.5	-178.7	-71.4	179.4	0	0	0	113	W52 L56 T67 H71 L72 F73 L359	W52-L69 HydrophobicContact CD2-CD1 4.24Å; W52-L69 HydrophobicContact CD2-CD2 4.05Å; W52-L69 HydrophobicContact CE3-CD2 4.28Å; W52-L69 HydrophobicContact CG-CD1 4.09Å; W52-L69 HydrophobicContact CG-CD2 4.45Å; W52-L69 HydrophobicContact CZ2-CD2 4.35Å; W52-L69 HydrophobicContact CZ3-CD2 4.49Å; L56-L69 HydrophobicContact CB-CD1 4.07Å; L56-L69 HydrophobicContact CD2-CD1 3.65Å; L56-L69 HydrophobicContact CD2-CD2 3.78Å; L56-L69 HydrophobicContact CD2-CG 3.77Å; L56-L69 HydrophobicContact CG-CD1 4.47Å; T67-L69 PolarHBondContact O-N 2.94Å; L69-H71 PolarHBondContact O-N 3.5Å; L69-L72 PolarHBondContact O-N 3.11Å; L69-F73 HydrophobicContact CB-CD2 4.44Å; L69-F73 HydrophobicContact CD2-CD2 3.79Å; L69-F73 HydrophobicContact CD2-CE2 3.71Å; L69-F73 PolarHBondContact O-N 3.13Å; L69-L359 HydrophobicContact CD2-CD1 4.08Å
70	E	85.1	Confident	91.8	Very high	137 Å²	137	54.8 Å²	54.8	64%	0.64	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.8	-173.7	-63.9	-174.5	165.5	0	0	113.2	Q76	E70-Q76 PolarHBondContact OE1-NE2 2.94Å
71	H	84.7	Confident	91.7	Very high	134 Å²	134	55 Å²	55	62%	0.62	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-18.8	176.8	-73	-102.6	0	0	0	113.6	N68 L69 T415	N68-H71 VanDerWaalsContact CG-CD2 3.41Å; N68-H71 PolarHBondContact ND2-CD2 3.5Å; N68-H71 PolarHBondContact OD1-CD2 3.14Å; L69-H71 PolarHBondContact O-N 3.5Å; H71-T415 HydrophobicContact CB-CG2 3.51Å
72	L	90.5	Very high	91.5	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-36.3	-179.3	-72.7	177.7	0	0	0	112.4	L69 L359 I367 F416	L69-L72 PolarHBondContact O-N 3.11Å; L72-L359 HydrophobicContact CD1-CB 4.46Å; L72-I367 WeakPolarHBondContact O-CG2 3.5Å; L72-F416 HydrophobicContact CD2-CD2 3.68Å; L72-F416 HydrophobicContact CD2-CE2 3.87Å
73	F	95.7	Very high	91.2	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.022	28%	0.277	C	S	.	.			trans	-115.9	134.4	-176.9	-62.1	-86.9	0	0	0	109.5	A50 W52 L69 I75 F337 I339 L359 I367	A50-F73 HydrophobicContact CB-CD1 3.83Å; A50-F73 HydrophobicContact CB-CE1 4.35Å; A50-F73 CarbonylContact O-C 3.49Å; W52-F73 HydrophobicContact CB-CB 4.09Å; W52-F73 HydrophobicContact CB-CD1 3.99Å; W52-F73 HydrophobicContact CB-CD2 4.1Å; W52-F73 HydrophobicContact CB-CG 3.78Å; W52-F73 HydrophobicContact CD2-CD2 4.49Å; W52-F73 HydrophobicContact CD2-CE2 4.25Å; W52-F73 HydrophobicContact CD2-CZ 4.4Å; W52-F73 HydrophobicContact CE3-CD1 4.37Å; W52-F73 HydrophobicContact CE3-CD2 4.1Å; W52-F73 AromaticContact CE3-CE1 3.79Å; W52-F73 HydrophobicContact CE3-CE1 3.79Å; W52-F73 AromaticContact CE3-CE2 3.49Å; W52-F73 HydrophobicContact CE3-CE2 3.49Å; W52-F73 VanDerWaalsContact CE3-CE2 3.49Å; W52-F73 AromaticContact CE3-CZ 3.32Å; W52-F73 HydrophobicContact CE3-CZ 3.32Å; W52-F73 HydrophobicContact CZ3-CE1 4.47Å; W52-F73 AromaticContact CZ3-CE2 3.92Å; W52-F73 HydrophobicContact CZ3-CE2 3.92Å; W52-F73 AromaticContact CZ3-CZ 3.69Å; W52-F73 HydrophobicContact CZ3-CZ 3.69Å; L69-F73 HydrophobicContact CB-CD2 4.44Å; L69-F73 HydrophobicContact CD2-CD2 3.79Å; L69-F73 HydrophobicContact CD2-CE2 3.71Å; L69-F73 PolarHBondContact O-N 3.13Å; F73-I75 VanDerWaalsContact C-N 3.34Å; F73-F337 HydrophobicContact CE1-CE2 4.38Å; F73-I339 HydrophobicContact CE1-CD1 3.71Å; F73-I339 HydrophobicContact CE1-CG1 4.15Å; F73-I339 HydrophobicContact CZ-CD1 3.85Å; F73-L359 HydrophobicContact CE2-CD2 4.03Å; F73-L359 HydrophobicContact CZ-CD2 4.16Å; F73-I367 HydrophobicContact CD1-CD1 4.44Å; F73-I367 HydrophobicContact CE1-CD1 3.56Å; F73-I367 HydrophobicContact CE2-CD1 4.46Å; F73-I367 HydrophobicContact CZ-CD1 3.56Å
74	H	96.6	Very high	91.1	Very high	51 Å²	51	53.4 Å²	53.4	24%	0.236	28%	0.281	C	S	.	.	S	Bend	trans	-76.6	-27.8	-176.3	-57.6	80.4	0	0	0	112.3	I43 K46 I49 A50	I43-H74 HydrophobicContact CD1-CB 3.42Å; I43-H74 VanDerWaalsContact CD1-CB 3.42Å; K46-H74 WeakPolarHBondContact CD-NE2 3.44Å; K46-H74 WeakPolarHBondContact CE-NE2 3.27Å; K46-H74 PolarHBondContact NZ-NE2 3.41Å; I49-H74 HydrophobicContact CB-CB 4.23Å; I49-H74 HydrophobicContact CG2-CB 4.49Å; A50-H74 PolarHBondContact N-ND1 2.92Å; A50-H74 VanDerWaalsContact N-ND1 3.18Å; A50-H74 PolarHBondContact O-N 3.1Å
75	I	96.5	Very high	91	Very high	7 Å²	7	49 Å²	49	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.9	172.6	54.5	176	0	0	0	109.6	L42 I43 I49 A51 W52 F73 N87 V88 L142	L42-I75 HydrophobicContact CD2-CD1 3.89Å; I43-I75 HydrophobicContact CD1-CG2 4.15Å; I49-I75 HydrophobicContact CD1-CD1 3.76Å; I49-I75 HydrophobicContact CD1-CG1 4.16Å; A51-I75 VanDerWaalsContact CA-O 3.31Å; A51-I75 WeakPolarHBondContact CA-O 3.32Å; A51-I75 HydrophobicContact CB-CD1 3.92Å; A51-I75 HydrophobicContact CB-CG1 3.54Å; W52-I75 PolarHBondContact N-O 3.28Å; F73-I75 VanDerWaalsContact C-N 3.34Å; I75-N87 HydrophobicContact CB-CB 3.67Å; I75-N87 HydrophobicContact CG2-CB 3.8Å; I75-V88 HydrophobicContact CB-CG2 4.18Å; I75-V88 HydrophobicContact CD1-CG2 3.76Å; I75-V88 HydrophobicContact CG1-CG2 3.79Å; I75-L142 HydrophobicContact CD1-CD1 3.63Å; I75-L142 HydrophobicContact CD1-CD2 4.43Å; I75-L142 HydrophobicContact CD1-CG 3.62Å
76	Q	95.1	Very high	91	Very high	61 Å²	61	48.8 Å²	48.8	29%	0.285	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.9	-174.7	62.8	-174.6	-1.2	0	0	112.4	W52 E70 N87 V88	W52-Q76 HydrophobicContact CB-CB 4.25Å; W52-Q76 CarbonylContact O-C 3.54Å; E70-Q76 PolarHBondContact OE1-NE2 2.94Å; Q76-N87 PolarHBondContact O-N 3.4Å; Q76-V88 PolarHBondContact O-N 3.34Å; Q76-V88 VanDerWaalsContact O-N 3.09Å
77	G	94.3	Very high	91.3	Very high	6 Å²	6	48.6 Å²	48.6	6%	0.062	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	173.5	171.7	0	0	0	0	0	110.9	W52 N53 Q86 V88	W52-G77 PolarHBondContact O-N 3.41Å; N53-G77 WeakPolarHBondContact CA-O 3.4Å; G77-Q86 VanDerWaalsContact C-OE1 3.31Å; G77-Q86 VanDerWaalsContact CA-OE1 3.28Å; G77-V88 WeakPolarHBondContact CA-O 3.37Å
78	S	93.4	Very high	91.9	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.035	26%	0.256	C	S	.	.			trans	-135.7	131.2	-178.3	-176.5	0	0	0	0	107.6	D57 R80 Q86	D57-S78 PolarHBondContact OD1-OG 3.41Å; S78-R80 PolarHBondContact O-N 3.09Å; S78-R80 VanDerWaalsContact O-N 3.12Å; S78-Q86 VanDerWaalsContact CB-OE1 3.29Å; S78-Q86 PolarHBondContact O-NE2 2.99Å
79	P	92.4	Very high	92.5	Very high	12 Å²	12	45.7 Å²	45.7	8%	0.078	25%	0.247	C	C	.	.			trans	-73.5	0.5	-179.8	29.1	-34	0	0	0	112.9	P55 I90 Y92 R95	P55-P79 HydrophobicContact CB-CG 4.31Å; P55-P79 HydrophobicContact CG-CG 4.33Å; P79-I90 HydrophobicContact CB-CG2 4.04Å; P79-Y92 HydrophobicContact CB-CE2 3.89Å; P79-Y92 WeakPolarHBondContact CB-OH 3.47Å; P79-R95 VanDerWaalsContact O-CZ 3.32Å; P79-R95 PolarHBondContact O-NH1 3.37Å; P79-R95 PolarHBondContact O-NH2 2.94Å
80	R	92.3	Very high	93	Very high	56 Å²	56	45 Å²	45	21%	0.211	24%	0.243	C	C	.	.			trans	-63.9	145.7	-179.5	-65.4	-154.3	-60.6	135.1	-13.7	111.7	P55 D57 M58 S78 T82 W83 R95	P55-R80 HydrophobicContact CB-CG 3.91Å; D57-R80 IonicContact OD1-NE 3.7Å; D57-R80 IonicContact OD2-CZ 3.31Å; D57-R80 IonicContact OD2-NE 2.91Å; D57-R80 PolarHBondContact OD2-NE 2.91Å; D57-R80 IonicContact OD2-NH2 2.7Å; D57-R80 PolarHBondContact OD2-NH2 2.81Å; M58-R80 WeakPolarHBondContact SD-CD 3.17Å; S78-R80 PolarHBondContact O-N 3.09Å; S78-R80 VanDerWaalsContact O-N 3.12Å; R80-T82 VanDerWaalsContact C-N 3.25Å; R80-T82 PolarHBondContact NH1-OG1 2.98Å; R80-T82 PolarHBondContact O-N 3.31Å; R80-W83 PolarHBondContact O-N 2.87Å; R80-R95 PolarHBondContact O-NH1 2.98Å
81	A	89.5	Confident	93.6	Very high	62 Å²	62	38.4 Å²	38.4	51%	0.512	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.6	-178.9	0	0	0	0	0	114	F133	A81-F133 WeakPolarHBondContact O-CE1 3.35Å
82	T	89.4	Confident	94.2	Very high	103 Å²	103	34.6 Å²	34.6	63%	0.632	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.1	-177.8	58.5	0	0	0	0	113.6	R80	R80-T82 VanDerWaalsContact C-N 3.25Å; R80-T82 PolarHBondContact NH1-OG1 2.98Å; R80-T82 PolarHBondContact O-N 3.31Å
83	W	89.1	Confident	94.4	Very high	100 Å²	100	34.9 Å²	34.9	38%	0.379	20%	0.197	S	C	.	.			trans	-95.5	129.4	-177.7	-88.4	79.4	0	0	0	111.5	D57 R80 Q86	D57-W83 HydrophobicContact CB-CZ2 3.67Å; D57-W83 PolarHBondContact OD2-NE1 3.37Å; R80-W83 PolarHBondContact O-N 2.87Å; W83-Q86 HydrophobicContact CB-CG 4.42Å; W83-Q86 VanDerWaalsContact CB-NE2 3.34Å; W83-Q86 HydrophobicContact CE3-CG 3.84Å
84	T	93.8	Very high	94.3	Very high	57 Å²	57	40 Å²	40	35%	0.35	22%	0.224	S	C	.	.			trans	-133.3	159.1	-177.6	58.5	0	0	0	0	110	H132 F133	T84-H132 WeakPolarHBondContact CB-O 3.46Å; T84-H132 WeakPolarHBondContact CG2-O 3.3Å; T84-F133 HydrophobicContact CG2-CD1 4.01Å; T84-F133 HydrophobicContact CG2-CE1 4.45Å
85	G	94.3	Very high	94.3	Very high	46 Å²	46	38.2 Å²	38.2	47%	0.474	22%	0.216	S	C	.	.	S	Bend	trans	72.8	29.9	175.4	0	0	0	0	0	114.5	F133	G85-F133 PolarHBondContact N-O 3.18Å
86	Q	93.8	Very high	94.4	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.061	21%	0.214	C	C	.	.			trans	-99.4	143.6	-175	-54.8	-179.7	97.6	0	0	111.9	G77 S78 W83 V88 T89 F139	G77-Q86 VanDerWaalsContact C-OE1 3.31Å; G77-Q86 VanDerWaalsContact CA-OE1 3.28Å; S78-Q86 VanDerWaalsContact CB-OE1 3.29Å; S78-Q86 PolarHBondContact O-NE2 2.99Å; W83-Q86 HydrophobicContact CB-CG 4.42Å; W83-Q86 VanDerWaalsContact CB-NE2 3.34Å; W83-Q86 HydrophobicContact CE3-CG 3.84Å; Q86-V88 PolarHBondContact O-N 3.05Å; Q86-T89 PolarHBondContact O-OG1 3.29Å; Q86-T89 VanDerWaalsContact O-OG1 3.05Å; Q86-F139 WeakPolarHBondContact O-CE2 3.49Å; Q86-F139 VanDerWaalsContact O-CZ 3.23Å; Q86-F139 WeakPolarHBondContact O-CZ 3.05Å
87	N	94.7	Very high	94.5	Very high	72 Å²	72	35.1 Å²	35.1	39%	0.385	20%	0.202	S	C	.	.	S	Bend	trans	-61	-27.3	177	-59.6	69	0	0	0	113.3	I75 Q76 F139 G141 L142	I75-N87 HydrophobicContact CB-CB 3.67Å; I75-N87 HydrophobicContact CG2-CB 3.8Å; Q76-N87 PolarHBondContact O-N 3.4Å; N87-F139 WeakPolarHBondContact O-CZ 3.45Å; N87-G141 CarbonylContact O-C 3.55Å; N87-G141 VanDerWaalsContact O-CA 3.23Å; N87-G141 WeakPolarHBondContact O-CA 3.46Å; N87-L142 PolarHBondContact O-N 3.3Å
88	V	97.3	Very high	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110	169.1	-173.9	0	0	0	0	108.4	A51 N53 I75 Q76 G77 Q86 L142 I338	A51-V88 HydrophobicContact CB-CG2 4.09Å; N53-V88 HydrophobicContact CB-CG1 3.96Å; I75-V88 HydrophobicContact CB-CG2 4.18Å; I75-V88 HydrophobicContact CD1-CG2 3.76Å; I75-V88 HydrophobicContact CG1-CG2 3.79Å; Q76-V88 PolarHBondContact O-N 3.34Å; Q76-V88 VanDerWaalsContact O-N 3.09Å; G77-V88 WeakPolarHBondContact CA-O 3.37Å; Q86-V88 PolarHBondContact O-N 3.05Å; V88-L142 HydrophobicContact CG1-CB 4.37Å; V88-L142 HydrophobicContact CG2-CD1 4.32Å; V88-I338 HydrophobicContact CG1-CG2 4.48Å
89	T	97.1	Very high	95	Very high	4 Å²	4	37 Å²	37	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	177.7	-64.5	0	0	0	0	109.4	Q86 F91 F133 I134 L142 A143 V144	Q86-T89 PolarHBondContact O-OG1 3.29Å; Q86-T89 VanDerWaalsContact O-OG1 3.05Å; T89-F91 HydrophobicContact CG2-CD2 4.23Å; T89-F91 HydrophobicContact CG2-CE1 4.22Å; T89-F91 HydrophobicContact CG2-CE2 3.7Å; T89-F91 HydrophobicContact CG2-CZ 3.7Å; T89-F133 HydrophobicContact CG2-CB 4.02Å; T89-I134 HydrophobicContact CG2-CD1 4.16Å; T89-I134 HydrophobicContact CG2-CG1 3.9Å; T89-L142 PolarHBondContact N-O 3.09Å; T89-A143 WeakPolarHBondContact O-CA 3.27Å; T89-V144 PolarHBondContact O-N 2.04Å
90	I	97.6	Very high	95.3	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.6	173.4	-173.3	169.4	0	0	0	110.7	N53 P79 Y92 R95 V144 D146	N53-I90 WeakPolarHBondContact ND2-CB 3.25Å; N53-I90 WeakPolarHBondContact ND2-CG2 3.2Å; P79-I90 HydrophobicContact CB-CG2 4.04Å; I90-Y92 HydrophobicContact CD1-CD1 4.47Å; I90-Y92 HydrophobicContact CD1-CE1 3.79Å; I90-Y92 HydrophobicContact CG1-CE1 4.22Å; I90-R95 PolarHBondContact O-NH2 3.48Å; I90-V144 CarbonylContact C-O 3.04Å; I90-V144 WeakPolarHBondContact CA-O 3.02Å; I90-V144 HydrophobicContact CG1-CB 4.44Å; I90-D146 HydrophobicContact CD1-CB 3.92Å; I90-D146 HydrophobicContact CG1-CB 3.88Å
91	F	98	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100	178.7	-67.7	-79.3	0	0	0	110.4	T89 R95 L96 I130 F133 I134 A143 V144 D146 W216	T89-F91 HydrophobicContact CG2-CD2 4.23Å; T89-F91 HydrophobicContact CG2-CE1 4.22Å; T89-F91 HydrophobicContact CG2-CE2 3.7Å; T89-F91 HydrophobicContact CG2-CZ 3.7Å; F91-R95 WeakPolarHBondContact CD1-O 3.47Å; F91-L96 HydrophobicContact CB-CB 3.83Å; F91-L96 HydrophobicContact CB-CD2 4.02Å; F91-L96 HydrophobicContact CB-CG 4.47Å; F91-L96 HydrophobicContact CD1-CB 4.01Å; F91-L96 HydrophobicContact CD1-CD1 4.07Å; F91-L96 HydrophobicContact CD1-CG 4.47Å; F91-L96 HydrophobicContact CD2-CD2 4.47Å; F91-L96 HydrophobicContact CE1-CD1 4.22Å; F91-L96 HydrophobicContact CG-CB 4.13Å; F91-L96 HydrophobicContact CG-CD1 4.37Å; F91-L96 HydrophobicContact CG-CD2 4.14Å; F91-L96 HydrophobicContact CG-CG 4.47Å; F91-I130 HydrophobicContact CZ-CG1 4.47Å; F91-F133 HydrophobicContact CD1-CD2 4.17Å; F91-F133 HydrophobicContact CE1-CB 3.74Å; F91-F133 AromaticContact CE1-CD2 3.75Å; F91-F133 HydrophobicContact CE1-CD2 3.75Å; F91-F133 HydrophobicContact CE1-CG 4.05Å; F91-F133 HydrophobicContact CZ-CB 4.1Å; F91-I134 HydrophobicContact CE2-CD1 3.92Å; F91-I134 HydrophobicContact CZ-CD1 3.87Å; F91-I134 HydrophobicContact CZ-CG1 4.11Å; F91-A143 HydrophobicContact CE2-CB 4.49Å; F91-V144 PolarHBondContact N-O 3.4Å; F91-D146 PolarHBondContact O-N 2.88Å; F91-W216 HydrophobicContact CD2-CZ3 4.08Å; F91-W216 AromaticContact CE2-CH2 3.64Å; F91-W216 HydrophobicContact CE2-CH2 3.64Å; F91-W216 AromaticContact CE2-CZ3 3.63Å; F91-W216 HydrophobicContact CE2-CZ3 3.63Å; F91-W216 HydrophobicContact CZ-CH2 4.08Å; F91-W216 HydrophobicContact CZ-CZ3 4.43Å
92	Y	96.9	Very high	96	Very high	54 Å²	54	34 Å²	34	21%	0.212	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	165.7	170.1	-65.5	-48.3	0	0	0	111.7	P79 I90 N94 R95 D146 W340	P79-Y92 HydrophobicContact CB-CE2 3.89Å; P79-Y92 WeakPolarHBondContact CB-OH 3.47Å; I90-Y92 HydrophobicContact CD1-CD1 4.47Å; I90-Y92 HydrophobicContact CD1-CE1 3.79Å; I90-Y92 HydrophobicContact CG1-CE1 4.22Å; Y92-N94 PolarHBondContact O-N 3.16Å; Y92-R95 WeakPolarHBondContact O-CA 3.39Å; Y92-R95 PolarHBondContact O-N 3.14Å; Y92-D146 HydrophobicContact CD1-CB 3.95Å; Y92-D146 WeakPolarHBondContact CD1-OD2 3.26Å; Y92-D146 HydrophobicContact CE1-CB 4.36Å; Y92-D146 WeakPolarHBondContact CE1-OD2 3.39Å; Y92-W340 PolarHBondContact OH-NE1 3.1Å
93	A	94.5	Very high	96.3	Very high	14 Å²	14	30.7 Å²	30.7	12%	0.116	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-38.3	179.1	0	0	0	0	0	115.2	Y99 F149	A93-Y99 HydrophobicContact CB-CD1 3.74Å; A93-Y99 HydrophobicContact CB-CE1 4.15Å; A93-Y99 WeakPolarHBondContact O-CB 3.42Å; A93-F149 HydrophobicContact CB-CD2 3.97Å; A93-F149 HydrophobicContact CB-CE2 3.7Å
94	N	94.3	Very high	96.5	Very high	112 Å²	112	31.6 Å²	31.6	60%	0.599	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	3.3	-179.7	67.7	-32	0	0	0	114.5	Y92	Y92-N94 PolarHBondContact O-N 3.16Å
95	R	96	Very high	96.5	Very high	14 Å²	14	36.3 Å²	36.3	5%	0.053	20%	0.202	C	C	.	.	S	Bend	trans	-118.6	8.6	-173.5	-66.2	-166.4	-66.3	166.8	-2.5	114.2	P79 R80 I90 F91 Y92 H129 F133	P79-R95 VanDerWaalsContact O-CZ 3.32Å; P79-R95 PolarHBondContact O-NH1 3.37Å; P79-R95 PolarHBondContact O-NH2 2.94Å; R80-R95 PolarHBondContact O-NH1 2.98Å; I90-R95 PolarHBondContact O-NH2 3.48Å; F91-R95 WeakPolarHBondContact CD1-O 3.47Å; Y92-R95 WeakPolarHBondContact O-CA 3.39Å; Y92-R95 PolarHBondContact O-N 3.14Å; R95-H129 VanDerWaalsContact O-CB 3.31Å; R95-H129 WeakPolarHBondContact O-CB 2.93Å; R95-H129 PolarHBondContact O-ND1 2.93Å; R95-F133 HydrophobicContact CB-CE2 3.92Å; R95-F133 HydrophobicContact CB-CZ 4.22Å; R95-F133 HydrophobicContact CG-CE2 4.28Å; R95-F133 HydrophobicContact CG-CZ 4.1Å
96	L	98.2	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-145.5	99.4	174	-174.2	64.6	0	0	0	111	F91 A126 H129 I130 I145 W147 T203	F91-L96 HydrophobicContact CB-CB 3.83Å; F91-L96 HydrophobicContact CB-CD2 4.02Å; F91-L96 HydrophobicContact CB-CG 4.47Å; F91-L96 HydrophobicContact CD1-CB 4.01Å; F91-L96 HydrophobicContact CD1-CD1 4.07Å; F91-L96 HydrophobicContact CD1-CG 4.47Å; F91-L96 HydrophobicContact CD2-CD2 4.47Å; F91-L96 HydrophobicContact CE1-CD1 4.22Å; F91-L96 HydrophobicContact CG-CB 4.13Å; F91-L96 HydrophobicContact CG-CD1 4.37Å; F91-L96 HydrophobicContact CG-CD2 4.14Å; F91-L96 HydrophobicContact CG-CG 4.47Å; L96-A126 HydrophobicContact CD1-CB 4.11Å; L96-H129 PolarHBondContact N-ND1 3.5Å; L96-I130 HydrophobicContact CD1-CD1 3.99Å; L96-I130 HydrophobicContact CD1-CG1 3.62Å; L96-I145 HydrophobicContact CD2-CB 4.34Å; L96-I145 HydrophobicContact CD2-CD1 3.82Å; L96-I145 HydrophobicContact CD2-CG1 3.7Å; L96-I145 HydrophobicContact CD2-CG2 3.81Å; L96-W147 HydrophobicContact CB-CZ2 4.35Å; L96-W147 HydrophobicContact CD2-CZ2 4.14Å; L96-W147 HydrophobicContact CG-CZ2 4.21Å; L96-W147 WeakPolarHBondContact O-CZ2 3.44Å; L96-T203 HydrophobicContact CD2-CG2 3.73Å; L96-T203 HydrophobicContact CG-CG2 3.99Å
97	G	98.4	Very high	96.7	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.031	22%	0.22	C	C	.	.	S	Bend	trans	63.2	-163.2	-178	0	0	0	0	0	114.1	Y99 H122 H129	G97-Y99 PolarHBondContact O-N 2.96Å; G97-H122 WeakPolarHBondContact CA-O 3.4Å; G97-H129 PolarHBondContact N-ND1 3.18Å
98	H	98.5	Very high	96.8	Very high	48 Å²	48	40.5 Å²	40.5	22%	0.222	22%	0.221	C	C	.	.			trans	-94.3	67.8	172.9	-69.2	-43.3	0	0	0	110.3	P100 H110 H122	H98-P100 WeakPolarHBondContact O-CD 3.19Å; H98-H110 HydrophobicContact CB-CB 4.12Å; H98-H110 AromaticContact CE1-CE1 3.8Å; H98-H110 AromaticContact CG-CE1 3.82Å; H98-H110 AromaticContact CG-ND1 3.82Å; H98-H110 AromaticContact ND1-CD2 4Å; H98-H110 AromaticContact ND1-CE1 3.08Å; H98-H110 PolarHBondContact ND1-CE1 3.33Å; H98-H110 AromaticContact ND1-ND1 3.55Å; H98-H110 AromaticContact ND1-NE2 3.36Å; H98-H110 PolarHBondContact ND1-NE2 2.85Å; H98-H122 HydrophobicContact CB-CB 4.25Å; H98-H122 PolarHBondContact N-ND1 3.25Å; H98-H122 PolarHBondContact O-ND1 3.31Å; H98-H122 VanDerWaalsContact O-ND1 3.16Å
99	Y	98.6	Very high	96.9	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.23	C	C	.	.			trans	-64.4	119.4	177.9	175.7	-114.6	0	0	0	110	A93 G97 Y101 H110 W147 F149 W150	A93-Y99 HydrophobicContact CB-CD1 3.74Å; A93-Y99 HydrophobicContact CB-CE1 4.15Å; A93-Y99 WeakPolarHBondContact O-CB 3.42Å; G97-Y99 PolarHBondContact O-N 2.96Å; Y99-Y101 HydrophobicContact CD1-CD1 4.14Å; Y99-Y101 WeakPolarHBondContact O-CD1 3.46Å; Y99-H110 PolarHBondContact O-CD2 2.79Å; Y99-W147 HydrophobicContact CD1-CD2 4.49Å; Y99-W147 HydrophobicContact CD1-CG 4.27Å; Y99-W147 HydrophobicContact CD2-CB 4.43Å; Y99-W147 AromaticContact CD2-CD2 3.24Å; Y99-W147 HydrophobicContact CD2-CD2 3.24Å; Y99-W147 AromaticContact CD2-CE2 3.53Å; Y99-W147 AromaticContact CD2-CE3 3.35Å; Y99-W147 HydrophobicContact CD2-CE3 3.35Å; Y99-W147 AromaticContact CD2-CG 3.76Å; Y99-W147 HydrophobicContact CD2-CG 3.76Å; Y99-W147 AromaticContact CD2-CH2 3.99Å; Y99-W147 HydrophobicContact CD2-CH2 3.99Å; Y99-W147 AromaticContact CD2-CZ2 3.91Å; Y99-W147 HydrophobicContact CD2-CZ2 3.91Å; Y99-W147 AromaticContact CD2-CZ3 3.73Å; Y99-W147 HydrophobicContact CD2-CZ3 3.73Å; Y99-W147 HydrophobicContact CE1-CB 4.22Å; Y99-W147 HydrophobicContact CE1-CG 4.15Å; Y99-W147 HydrophobicContact CE2-CB 3.8Å; Y99-W147 AromaticContact CE2-CD2 3.41Å; Y99-W147 HydrophobicContact CE2-CD2 3.41Å; Y99-W147 VanDerWaalsContact CE2-CD2 3.41Å; Y99-W147 AromaticContact CE2-CE3 3.37Å; Y99-W147 HydrophobicContact CE2-CE3 3.37Å; Y99-W147 AromaticContact CE2-CG 3.63Å; Y99-W147 HydrophobicContact CE2-CG 3.63Å; Y99-W147 HydrophobicContact CE2-CZ3 4.1Å; Y99-W147 AromaticContact CG-CD2 3.83Å; Y99-W147 HydrophobicContact CG-CD2 3.83Å; Y99-W147 AromaticContact CG-CE2 3.74Å; Y99-W147 HydrophobicContact CG-CE3 4.36Å; Y99-W147 HydrophobicContact CG-CG 4.07Å; Y99-W147 HydrophobicContact CG-CZ2 4.22Å; Y99-W147 AromaticContact CG-NE1 3.89Å; Y99-W147 AromaticContact CZ-CG 3.84Å; Y99-F149 HydrophobicContact CE1-CB 3.78Å; Y99-F149 AromaticContact CE1-CD2 3.79Å; Y99-F149 HydrophobicContact CE1-CD2 3.79Å; Y99-F149 HydrophobicContact CE1-CG 4.17Å; Y99-F149 PolarHBondContact OH-N 2.78Å; Y99-W150 AromaticContact CD2-CZ2 3.92Å; Y99-W150 HydrophobicContact CD2-CZ2 3.92Å; Y99-W150 HydrophobicContact CE2-CD2 4.29Å; Y99-W150 AromaticContact CE2-CE2 3.37Å; Y99-W150 HydrophobicContact CE2-CH2 4.02Å; Y99-W150 AromaticContact CE2-CZ2 3.24Å; Y99-W150 HydrophobicContact CE2-CZ2 3.24Å; Y99-W150 AromaticContact CE2-NE1 3.49Å; Y99-W150 AromaticContact CZ-CE2 3.74Å; Y99-W150 AromaticContact CZ-NE1 3.49Å; Y99-W150 PolarHBondContact OH-N 2.84Å; Y99-W150 PolarHBondContact OH-NE1 3.36Å
100	P	98.5	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.			trans	-81.5	133.2	-174.6	30.7	-32.5	0	0	0	111.6	H98 I109 H110 P114 C117 W150 F199	H98-P100 WeakPolarHBondContact O-CD 3.19Å; P100-I109 WeakPolarHBondContact CA-O 3.21Å; P100-H110 HydrophobicContact CB-CB 4.39Å; P100-H110 WeakPolarHBondContact CB-O 3.32Å; P100-P114 HydrophobicContact CG-CB 4.43Å; P100-C117 HydrophobicContact CB-CB 3.96Å; P100-C117 HydrophobicContact CG-CB 4.02Å; P100-W150 HydrophobicContact CG-CZ2 4.47Å; P100-W150 PolarHBondContact O-NE1 3.21Å; P100-F199 HydrophobicContact CG-CE1 4.35Å
101	Y	98.5	Very high	96.9	Very high	46 Å²	46	46.9 Å²	46.9	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	169.4	178.1	68.7	-87.5	0	0	0	113	Y99 T103 I109 G112 F149	Y99-Y101 HydrophobicContact CD1-CD1 4.14Å; Y99-Y101 WeakPolarHBondContact O-CD1 3.46Å; Y101-T103 HydrophobicContact CE2-CG2 4.39Å; Y101-I109 HydrophobicContact CD1-CB 4.04Å; Y101-I109 HydrophobicContact CD1-CG2 4.15Å; Y101-I109 HydrophobicContact CD2-CB 4.39Å; Y101-I109 HydrophobicContact CD2-CG1 4.29Å; Y101-I109 HydrophobicContact CE1-CB 3.78Å; Y101-I109 HydrophobicContact CE1-CG1 4.21Å; Y101-I109 HydrophobicContact CE1-CG2 3.56Å; Y101-I109 HydrophobicContact CE2-CB 4.17Å; Y101-I109 HydrophobicContact CE2-CG1 3.78Å; Y101-I109 HydrophobicContact CG-CB 4.33Å; Y101-I109 PolarHBondContact N-O 3.46Å; Y101-I109 VanDerWaalsContact N-O 3.13Å; Y101-I109 WeakPolarHBondContact O-CB 3.18Å; Y101-I109 PolarHBondContact O-N 2.99Å; Y101-G112 WeakPolarHBondContact O-CA 3.38Å; Y101-F149 VanDerWaalsContact CB-CG 3.5Å; Y101-F149 AromaticContact CD2-CD1 3.52Å; Y101-F149 HydrophobicContact CD2-CD1 3.52Å; Y101-F149 HydrophobicContact CD2-CD2 4.3Å; Y101-F149 AromaticContact CD2-CE1 3.23Å; Y101-F149 HydrophobicContact CD2-CE1 3.23Å; Y101-F149 HydrophobicContact CD2-CE2 4.04Å; Y101-F149 HydrophobicContact CD2-CG 4.04Å; Y101-F149 AromaticContact CD2-CZ 3.5Å; Y101-F149 HydrophobicContact CD2-CZ 3.5Å; Y101-F149 VanDerWaalsContact CD2-CZ 3.5Å; Y101-F149 HydrophobicContact CE2-CD1 4.46Å; Y101-F149 AromaticContact CE2-CE1 3.76Å; Y101-F149 HydrophobicContact CE2-CE1 3.76Å; Y101-F149 HydrophobicContact CE2-CE2 4.29Å; Y101-F149 AromaticContact CE2-CZ 3.64Å; Y101-F149 HydrophobicContact CE2-CZ 3.64Å; Y101-F149 AromaticContact CG-CD1 3.82Å; Y101-F149 HydrophobicContact CG-CD1 3.82Å; Y101-F149 HydrophobicContact CG-CD2 4.09Å; Y101-F149 AromaticContact CG-CE1 3.94Å; Y101-F149 HydrophobicContact CG-CE1 3.94Å; Y101-F149 HydrophobicContact CG-CE2 4.18Å; Y101-F149 AromaticContact CG-CG 3.88Å; Y101-F149 HydrophobicContact CG-CG 3.88Å; Y101-F149 HydrophobicContact CG-CZ 4.1Å
102	Y	98.4	Very high	96.9	Very high	22 Å²	22	46.9 Å²	46.9	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.9	170.6	-68.2	-80.6	0	0	0	111.6	G106 K107 A108 G112 L113 I163 Y164 K167	Y102-G106 WeakPolarHBondContact CD1-O 3.28Å; Y102-K107 CarbonylContact C-O 3.58Å; Y102-K107 WeakPolarHBondContact CA-O 3.24Å; Y102-A108 HydrophobicContact CD1-CB 4.09Å; Y102-A108 HydrophobicContact CE1-CB 3.63Å; Y102-G112 VanDerWaalsContact CE2-O 3.27Å; Y102-G112 WeakPolarHBondContact CE2-O 3.37Å; Y102-L113 HydrophobicContact CE2-CD2 4.33Å; Y102-L113 HydrophobicContact CE2-CG 4.05Å; Y102-I163 HydrophobicContact CD1-CD1 4.13Å; Y102-I163 HydrophobicContact CD2-CD1 4.18Å; Y102-I163 HydrophobicContact CD2-CG1 4.12Å; Y102-I163 HydrophobicContact CD2-CG2 4.34Å; Y102-I163 HydrophobicContact CG-CD1 3.77Å; Y102-I163 HydrophobicContact CG-CG1 4.22Å; Y102-Y164 AromaticContact CD2-CD1 3.91Å; Y102-Y164 HydrophobicContact CD2-CD1 3.91Å; Y102-Y164 AromaticContact CD2-CE1 3.55Å; Y102-Y164 HydrophobicContact CD2-CE1 3.55Å; Y102-Y164 HydrophobicContact CE2-CD1 4.12Å; Y102-Y164 HydrophobicContact CE2-CE1 4.13Å; Y102-Y164 PolarHBondContact N-OH 2.85Å; Y102-Y164 VanDerWaalsContact N-OH 3.16Å; Y102-K167 HydrophobicContact CE1-CG 4.05Å; Y102-K167 HydrophobicContact CE2-CB 3.93Å; Y102-K167 HydrophobicContact CE2-CG 3.88Å; Y102-K167 VanDerWaalsContact OH-CB 3.26Å; Y102-K167 WeakPolarHBondContact OH-CB 3.24Å; Y102-K167 WeakPolarHBondContact OH-CG 3.45Å
103	T	96.3	Very high	97	Very high	34 Å²	34	44.4 Å²	44.4	21%	0.209	25%	0.247	C	C	.	.			trans	-66.9	170.4	170.2	75.7	0	0	0	0	111	Y101 Q105 G106 K107 I109	Y101-T103 HydrophobicContact CE2-CG2 4.39Å; T103-Q105 PolarHBondContact O-N 2.99Å; T103-Q105 PolarHBondContact OG1-N 3.5Å; T103-Q105 PolarHBondContact OG1-OE1 2.87Å; T103-G106 PolarHBondContact O-N 2.62Å; T103-K107 HydrophobicContact CG2-CB 4.1Å; T103-K107 PolarHBondContact N-O 3.29Å; T103-K107 WeakPolarHBondContact OG1-CB 3.4Å; T103-K107 PolarHBondContact OG1-N 2.95Å; T103-I109 HydrophobicContact CG2-CD1 3.98Å; T103-I109 HydrophobicContact CG2-CG1 3.77Å
104	S	92.3	Very high	97.2	Very high	118 Å²	118	43.9 Å²	43.9	83%	0.825	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.9	175.2	49.8	0	0	0	0	113.3	G106	S104-G106 VanDerWaalsContact C-N 3.27Å
105	Q	94.6	Very high	97.4	Very high	156 Å²	156	39.3 Å²	39.3	73%	0.729	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	4	173.8	-54.1	80	8.8	0	0	113.1	T103 K107	T103-Q105 PolarHBondContact O-N 2.99Å; T103-Q105 PolarHBondContact OG1-N 3.5Å; T103-Q105 PolarHBondContact OG1-OE1 2.87Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3.12Å
106	G	94.3	Very high	97.5	Very high	30 Å²	30	42.5 Å²	42.5	31%	0.309	24%	0.236	S	C	.	.			trans	77.2	13.1	-179.3	0	0	0	0	0	114.7	Y102 T103 S104	Y102-G106 WeakPolarHBondContact CD1-O 3.28Å; T103-G106 PolarHBondContact O-N 2.62Å; S104-G106 VanDerWaalsContact C-N 3.27Å
107	K	97.3	Very high	97.5	Very high	141 Å²	141	43.7 Å²	43.7	61%	0.613	24%	0.244	S	C	*	.			trans	-73.4	129.5	175.3	-178.2	178.9	177.9	177.9	0	110.1	Y102 T103 Q105	Y102-K107 CarbonylContact C-O 3.58Å; Y102-K107 WeakPolarHBondContact CA-O 3.24Å; T103-K107 HydrophobicContact CG2-CB 4.1Å; T103-K107 PolarHBondContact N-O 3.29Å; T103-K107 WeakPolarHBondContact OG1-CB 3.4Å; T103-K107 PolarHBondContact OG1-N 2.95Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3.12Å
108	A	98.1	Very high	97.5	Very high	48 Å²	48	46.4 Å²	46.4	40%	0.397	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.4	175.6	0	0	0	0	0	111.1	Y102	Y102-A108 HydrophobicContact CD1-CB 4.09Å; Y102-A108 HydrophobicContact CE1-CB 3.63Å
109	I	98.3	Very high	97.5	Very high	39 Å²	39	46 Å²	46	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	169.9	-55.3	-58.2	0	0	0	108	P100 Y101 T103 G111 G112	P100-I109 WeakPolarHBondContact CA-O 3.21Å; Y101-I109 HydrophobicContact CD1-CB 4.04Å; Y101-I109 HydrophobicContact CD1-CG2 4.15Å; Y101-I109 HydrophobicContact CD2-CB 4.39Å; Y101-I109 HydrophobicContact CD2-CG1 4.29Å; Y101-I109 HydrophobicContact CE1-CB 3.78Å; Y101-I109 HydrophobicContact CE1-CG1 4.21Å; Y101-I109 HydrophobicContact CE1-CG2 3.56Å; Y101-I109 HydrophobicContact CE2-CB 4.17Å; Y101-I109 HydrophobicContact CE2-CG1 3.78Å; Y101-I109 HydrophobicContact CG-CB 4.33Å; Y101-I109 PolarHBondContact N-O 3.46Å; Y101-I109 VanDerWaalsContact N-O 3.13Å; Y101-I109 WeakPolarHBondContact O-CB 3.18Å; Y101-I109 PolarHBondContact O-N 2.99Å; T103-I109 HydrophobicContact CG2-CD1 3.98Å; T103-I109 HydrophobicContact CG2-CG1 3.77Å; I109-G111 PolarHBondContact O-N 2.04Å; I109-G112 PolarHBondContact O-N 3Å
110	H	98	Very high	97.5	Very high	83 Å²	83	51.8 Å²	51.8	38%	0.384	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39	-174.3	-53.6	-52.4	0	0	0	113.5	H98 Y99 P100 G112 C117	H98-H110 HydrophobicContact CB-CB 4.12Å; H98-H110 AromaticContact CE1-CE1 3.8Å; H98-H110 AromaticContact CG-CE1 3.82Å; H98-H110 AromaticContact CG-ND1 3.82Å; H98-H110 AromaticContact ND1-CD2 4Å; H98-H110 AromaticContact ND1-CE1 3.08Å; H98-H110 PolarHBondContact ND1-CE1 3.33Å; H98-H110 AromaticContact ND1-ND1 3.55Å; H98-H110 AromaticContact ND1-NE2 3.36Å; H98-H110 PolarHBondContact ND1-NE2 2.85Å; Y99-H110 PolarHBondContact O-CD2 2.79Å; P100-H110 HydrophobicContact CB-CB 4.39Å; P100-H110 WeakPolarHBondContact CB-O 3.32Å; H110-G112 VanDerWaalsContact C-N 3.33Å; H110-C117 VanDerWaalsContact O-CB 3.27Å; H110-C117 WeakPolarHBondContact O-CB 3.26Å; H110-C117 PolarHBondContact O-SG 3.5Å
111	G	96.8	Very high	97.5	Very high	22 Å²	22	56.8 Å²	56.8	23%	0.227	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-6.9	-178.7	0	0	0	0	0	115.1	I109 L113 N116	I109-G111 PolarHBondContact O-N 2.04Å; G111-L113 PolarHBondContact O-N 2.02Å; G111-N116 PolarHBondContact O-ND2 3.13Å
112	G	98.4	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	74.5	-24.8	171.6	0	0	0	0	0	116	Y101 Y102 I109 H110 Y164	Y101-G112 WeakPolarHBondContact O-CA 3.38Å; Y102-G112 VanDerWaalsContact CE2-O 3.27Å; Y102-G112 WeakPolarHBondContact CE2-O 3.37Å; I109-G112 PolarHBondContact O-N 3Å; H110-G112 VanDerWaalsContact C-N 3.33Å; G112-Y164 WeakPolarHBondContact O-CE1 3.32Å
113	L	98.7	Very high	97.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	-129.1	146.1	-178.3	-72.1	166.2	0	0	0	110.8	Y102 G111 Q115 N116 C117 Y164 K167 S168 L171 F192	Y102-L113 HydrophobicContact CE2-CD2 4.33Å; Y102-L113 HydrophobicContact CE2-CG 4.05Å; G111-L113 PolarHBondContact O-N 2.02Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 HydrophobicContact CB-CG 4.4Å; L113-Q115 PolarHBondContact O-N 3.31Å; L113-N116 HydrophobicContact CB-CB 4.04Å; L113-N116 CarbonylContact O-C 3.33Å; L113-N116 PolarHBondContact O-N 2.9Å; L113-C117 PolarHBondContact O-N 3.14Å; L113-Y164 HydrophobicContact CD2-CD1 3.95Å; L113-K167 HydrophobicContact CD1-CB 3.92Å; L113-K167 HydrophobicContact CG-CB 4.5Å; L113-S168 WeakPolarHBondContact CD2-OG 3.05Å; L113-L171 HydrophobicContact CD1-CD2 4.32Å; L113-F192 HydrophobicContact CD2-CD2 4.07Å; L113-F192 HydrophobicContact CD2-CE2 4.21Å
114	P	98.6	Very high	97.6	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.019	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36	176.5	23.7	-32	0	0	0	112.6	P100 N116 W150 F192 A196 F199	P100-P114 HydrophobicContact CG-CB 4.43Å; P114-N116 PolarHBondContact O-N 2.71Å; P114-W150 HydrophobicContact CB-CZ2 4.26Å; P114-W150 HydrophobicContact CG-CZ2 4.39Å; P114-F192 HydrophobicContact CG-CD2 3.97Å; P114-F192 HydrophobicContact CG-CE2 3.88Å; P114-A196 HydrophobicContact CG-CB 3.99Å; P114-F199 HydrophobicContact CB-CB 4.45Å; P114-F199 HydrophobicContact CB-CD2 3.85Å; P114-F199 HydrophobicContact CB-CE2 4.44Å; P114-F199 HydrophobicContact CB-CG 4.25Å; P114-F199 VanDerWaalsContact O-CE2 3.28Å; P114-F199 WeakPolarHBondContact O-CE2 3.33Å
115	Q	98.3	Very high	97.9	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.075	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-76.5	-0.7	177.1	69.9	-92.1	34.3	0	0	115.3	L113 S168 L171 R191 S195	L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 HydrophobicContact CB-CG 4.4Å; L113-Q115 PolarHBondContact O-N 3.31Å; Q115-S168 PolarHBondContact NE2-OG 2.97Å; Q115-L171 HydrophobicContact CG-CD2 3.8Å; Q115-R191 HydrophobicContact CB-CG 3.7Å; Q115-R191 HydrophobicContact CG-CG 3.97Å; Q115-R191 PolarHBondContact O-NH2 3.21Å; Q115-S195 WeakPolarHBondContact CA-OG 3.48Å; Q115-S195 WeakPolarHBondContact CB-OG 3.43Å
116	N	98.2	Very high	98.2	Very high	81 Å²	81	47.9 Å²	47.9	43%	0.433	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-124.7	17.1	-178.4	-162.9	45.3	0	0	0	111.8	G111 L113 P114 L171	G111-N116 PolarHBondContact O-ND2 3.13Å; L113-N116 HydrophobicContact CB-CB 4.04Å; L113-N116 CarbonylContact O-C 3.33Å; L113-N116 PolarHBondContact O-N 2.9Å; P114-N116 PolarHBondContact O-N 2.71Å; N116-L171 HydrophobicContact CB-CD2 3.99Å
117	C	97.8	Very high	98.4	Very high	25 Å²	25	52 Å²	52	17%	0.169	27%	0.272	C	S	.	.	S	Bend	trans	-122.4	143.8	179.9	-170.3	0	0	0	0	109.3	P100 H110 L113 L119 F199	P100-C117 HydrophobicContact CB-CB 3.96Å; P100-C117 HydrophobicContact CG-CB 4.02Å; H110-C117 VanDerWaalsContact O-CB 3.27Å; H110-C117 WeakPolarHBondContact O-CB 3.26Å; H110-C117 PolarHBondContact O-SG 3.5Å; L113-C117 PolarHBondContact O-N 3.14Å; C117-L119 PolarHBondContact O-N 3.04Å; C117-F199 HydrophobicContact CB-CE2 4.03Å; C117-F199 HydrophobicContact CB-CZ 3.6Å
118	S	98.4	Very high	98.4	Very high	60 Å²	60	49.7 Å²	49.7	42%	0.42	26%	0.264	S	S	.	.			trans	-73.6	114.9	172.7	172.1	0	0	0	0	109.9	D120 M121 H122	S118-D120 VanDerWaalsContact C-N 3.33Å; S118-M121 PolarHBondContact OG-N 3.06Å; S118-H122 WeakPolarHBondContact O-CB 3.08Å; S118-H122 PolarHBondContact O-N 2.93Å
119	L	98.7	Very high	98.5	Very high	38 Å²	38	48.8 Å²	48.8	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-38.4	177.2	-179	63.8	0	0	0	111.7	C117 H122 L123 T198 F199 R202	C117-L119 PolarHBondContact O-N 3.04Å; L119-H122 WeakPolarHBondContact O-CB 3.38Å; L119-H122 PolarHBondContact O-N 3.3Å; L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.15Å; L119-L123 HydrophobicContact CG-CD1 3.94Å; L119-L123 HydrophobicContact CG-CG 4.29Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.02Å; L119-L123 PolarHBondContact O-N 3.47Å; L119-T198 HydrophobicContact CD2-CG2 3.59Å; L119-F199 HydrophobicContact CB-CE2 4.22Å; L119-F199 HydrophobicContact CD1-CD1 4.25Å; L119-F199 HydrophobicContact CD1-CD2 3.95Å; L119-F199 HydrophobicContact CD1-CE1 4.35Å; L119-F199 HydrophobicContact CD1-CE2 4.03Å; L119-F199 HydrophobicContact CD1-CG 4.05Å; L119-F199 HydrophobicContact CD1-CZ 4.22Å; L119-R202 HydrophobicContact CD1-CB 4.48Å; L119-R202 HydrophobicContact CD2-CG 4.34Å
120	D	98.6	Very high	98.5	Very high	124 Å²	124	47 Å²	47	66%	0.663	24%	0.242	S	C	*	.	H	α-helix	trans	-67.1	-44.8	-177.9	-61	-33.8	0	0	0	111.5	S118 H122 L123 L124	S118-D120 VanDerWaalsContact C-N 3.33Å; D120-H122 VanDerWaalsContact C-N 3.28Å; D120-H122 PolarHBondContact O-N 3.22Å; D120-L123 PolarHBondContact O-N 3.01Å; D120-L124 WeakPolarHBondContact O-CB 3.34Å; D120-L124 PolarHBondContact O-N 3.32Å
121	M	98.6	Very high	98.5	Very high	104 Å²	104	45.7 Å²	45.7	51%	0.512	24%	0.24	S	C	.	.	H	α-helix	trans	-63.6	-37.3	174.2	-67.5	-58.2	-65.2	0	0	111.6	S118 K125	S118-M121 PolarHBondContact OG-N 3.06Å; M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 PolarHBondContact O-N 3.47Å; M121-K125 VanDerWaalsContact O-N 3.07Å
122	H	98.8	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-49.7	172.9	170.5	87	0	0	0	111.7	G97 H98 S118 L119 D120 K125 A126 W147 F199 T203	G97-H122 WeakPolarHBondContact CA-O 3.4Å; H98-H122 HydrophobicContact CB-CB 4.25Å; H98-H122 PolarHBondContact N-ND1 3.25Å; H98-H122 PolarHBondContact O-ND1 3.31Å; H98-H122 VanDerWaalsContact O-ND1 3.16Å; S118-H122 WeakPolarHBondContact O-CB 3.08Å; S118-H122 PolarHBondContact O-N 2.93Å; L119-H122 WeakPolarHBondContact O-CB 3.38Å; L119-H122 PolarHBondContact O-N 3.3Å; D120-H122 VanDerWaalsContact C-N 3.28Å; D120-H122 PolarHBondContact O-N 3.22Å; H122-K125 PolarHBondContact O-N 3.37Å; H122-A126 WeakPolarHBondContact O-CB 3.36Å; H122-A126 PolarHBondContact O-N 3.02Å; H122-W147 AromaticContact CE1-CH2 3.48Å; H122-W147 VanDerWaalsContact CE1-CH2 3.48Å; H122-W147 WeakPolarHBondContact CE1-CH2 3Å; H122-W147 AromaticContact CE1-CZ2 3.68Å; H122-W147 AromaticContact NE2-CH2 3.63Å; H122-F199 HydrophobicContact CB-CE1 3.62Å; H122-F199 HydrophobicContact CB-CZ 3.98Å; H122-F199 AromaticContact CD2-CE1 3.84Å; H122-F199 AromaticContact CG-CD1 3.97Å; H122-F199 AromaticContact CG-CE1 3.35Å; H122-F199 AromaticContact ND1-CE1 3.55Å; H122-T203 PolarHBondContact NE2-OG1 2.91Å
123	L	98.9	Very high	98.5	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-38.3	-177.6	-69.3	173.5	0	0	0	112.1	L119 D120 K125 A126 Y127 R202 L206	L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.15Å; L119-L123 HydrophobicContact CG-CD1 3.94Å; L119-L123 HydrophobicContact CG-CG 4.29Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.02Å; L119-L123 PolarHBondContact O-N 3.47Å; D120-L123 PolarHBondContact O-N 3.01Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-K125 PolarHBondContact O-N 2.93Å; L123-A126 PolarHBondContact O-N 3.28Å; L123-Y127 PolarHBondContact O-N 2.94Å; L123-R202 HydrophobicContact CD1-CB 4.14Å; L123-R202 HydrophobicContact CD2-CB 4.03Å; L123-L206 HydrophobicContact CB-CD2 4.43Å; L123-L206 HydrophobicContact CD2-CB 4.47Å; L123-L206 HydrophobicContact CD2-CD2 4.19Å; L123-L206 VanDerWaalsContact O-CD2 3.31Å; L123-L206 WeakPolarHBondContact O-CD2 3.46Å
124	L	98.8	Very high	98.5	Very high	97 Å²	97	50.3 Å²	50.3	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-45.3	173.2	178.8	61.5	0	0	0	111.2	D120 A126 Y127 Q128	D120-L124 WeakPolarHBondContact O-CB 3.34Å; D120-L124 PolarHBondContact O-N 3.32Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-Y127 WeakPolarHBondContact O-CB 3.43Å; L124-Y127 PolarHBondContact O-N 3.21Å; L124-Q128 PolarHBondContact O-N 2.94Å
125	K	98.8	Very high	98.4	Very high	63 Å²	63	53.5 Å²	53.5	27%	0.274	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-35	176.9	-172.7	53	160.2	160.8	0	112.1	M121 H122 L123 Q128 H129	M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 PolarHBondContact O-N 3.47Å; M121-K125 VanDerWaalsContact O-N 3.07Å; H122-K125 PolarHBondContact O-N 3.37Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-K125 PolarHBondContact O-N 2.93Å; K125-Q128 VanDerWaalsContact CD-OE1 3.26Å; K125-Q128 PolarHBondContact O-N 2.89Å; K125-H129 WeakPolarHBondContact CE-NE2 3.03Å; K125-H129 PolarHBondContact NZ-NE2 3.45Å; K125-H129 VanDerWaalsContact NZ-NE2 3.18Å; K125-H129 PolarHBondContact O-N 2.95Å
126	A	98.9	Very high	98.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-41.9	175.6	0	0	0	0	0	111.1	L96 H122 L123 L124 Q128 H129 I130 L206	L96-A126 HydrophobicContact CD1-CB 4.11Å; H122-A126 WeakPolarHBondContact O-CB 3.36Å; H122-A126 PolarHBondContact O-N 3.02Å; L123-A126 PolarHBondContact O-N 3.28Å; L124-A126 VanDerWaalsContact C-N 3.35Å; A126-Q128 PolarHBondContact O-N 3.41Å; A126-H129 PolarHBondContact O-N 2.91Å; A126-I130 WeakPolarHBondContact O-CB 3.43Å; A126-I130 WeakPolarHBondContact O-CD1 3.47Å; A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.86Å; A126-L206 HydrophobicContact CB-CD2 3.95Å
127	Y	98.9	Very high	98.3	Very high	116 Å²	116	58.1 Å²	58.1	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-53.2	-52.2	173	173.2	-87.1	0	0	0	111.1	L123 L124 H129 I130 V131 L210	L123-Y127 PolarHBondContact O-N 2.94Å; L124-Y127 WeakPolarHBondContact O-CB 3.43Å; L124-Y127 PolarHBondContact O-N 3.21Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 2.69Å; Y127-I130 PolarHBondContact O-N 3.37Å; Y127-V131 HydrophobicContact CD1-CG2 4.44Å; Y127-V131 HydrophobicContact CE1-CG2 4.07Å; Y127-V131 HydrophobicContact CE2-CG2 4.34Å; Y127-V131 WeakPolarHBondContact O-CG2 3.35Å; Y127-V131 PolarHBondContact O-N 2.98Å; Y127-L210 HydrophobicContact CD2-CD1 3.68Å; Y127-L210 HydrophobicContact CD2-CD2 3.82Å; Y127-L210 HydrophobicContact CD2-CG 4.38Å; Y127-L210 HydrophobicContact CE2-CD1 4.23Å; Y127-L210 HydrophobicContact CE2-CD2 3.63Å; Y127-L210 HydrophobicContact CG-CD1 4.42Å
128	Q	98.7	Very high	98.1	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-44	179.1	-66.4	172.9	-8.2	0	0	112.2	L124 K125 A126 H132	L124-Q128 PolarHBondContact O-N 2.94Å; K125-Q128 VanDerWaalsContact CD-OE1 3.26Å; K125-Q128 PolarHBondContact O-N 2.89Å; A126-Q128 PolarHBondContact O-N 3.41Å; Q128-H132 VanDerWaalsContact O-CB 3.32Å; Q128-H132 WeakPolarHBondContact O-CB 3.45Å; Q128-H132 PolarHBondContact O-N 3.2Å
129	H	98.6	Very high	98.1	Very high	29 Å²	29	60 Å²	60	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-40.9	178.9	-70.1	176.3	0	0	0	112.4	R95 L96 G97 K125 A126 Y127 H132 F133	R95-H129 VanDerWaalsContact O-CB 3.31Å; R95-H129 WeakPolarHBondContact O-CB 2.93Å; R95-H129 PolarHBondContact O-ND1 2.93Å; L96-H129 PolarHBondContact N-ND1 3.5Å; G97-H129 PolarHBondContact N-ND1 3.18Å; K125-H129 WeakPolarHBondContact CE-NE2 3.03Å; K125-H129 PolarHBondContact NZ-NE2 3.45Å; K125-H129 VanDerWaalsContact NZ-NE2 3.18Å; K125-H129 PolarHBondContact O-N 2.95Å; A126-H129 PolarHBondContact O-N 2.91Å; Y127-H129 VanDerWaalsContact C-N 3.33Å; Y127-H129 PolarHBondContact O-N 2.69Å; H129-H132 PolarHBondContact O-N 3.42Å; H129-F133 HydrophobicContact CB-CD2 4.26Å; H129-F133 HydrophobicContact CB-CE2 4.39Å; H129-F133 WeakPolarHBondContact O-CD2 3.44Å; H129-F133 PolarHBondContact O-N 3.34Å
130	I	98.7	Very high	97.9	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-48	178	-67.8	160.7	0	0	0	110.1	F91 L96 A126 Y127 H132 F133 I134 L206 L210 R211 W216	F91-I130 HydrophobicContact CZ-CG1 4.47Å; L96-I130 HydrophobicContact CD1-CD1 3.99Å; L96-I130 HydrophobicContact CD1-CG1 3.62Å; A126-I130 WeakPolarHBondContact O-CB 3.43Å; A126-I130 WeakPolarHBondContact O-CD1 3.47Å; A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.86Å; Y127-I130 PolarHBondContact O-N 3.37Å; I130-H132 VanDerWaalsContact C-N 3.28Å; I130-H132 PolarHBondContact O-N 2.78Å; I130-F133 PolarHBondContact O-N 3.12Å; I130-I134 CarbonylContact O-C 3.22Å; I130-I134 WeakPolarHBondContact O-CA 3.35Å; I130-I134 PolarHBondContact O-N 3.15Å; I130-L206 HydrophobicContact CD1-CD2 4.24Å; I130-L206 HydrophobicContact CD1-CG 4.12Å; I130-L210 HydrophobicContact CB-CD1 4.04Å; I130-L210 HydrophobicContact CD1-CD1 4.02Å; I130-L210 HydrophobicContact CG2-CB 4.14Å; I130-L210 HydrophobicContact CG2-CD1 3.83Å; I130-R211 HydrophobicContact CG2-CG 4.13Å; I130-W216 HydrophobicContact CD1-CH2 4.39Å; I130-W216 HydrophobicContact CG1-CH2 4.06Å; I130-W216 HydrophobicContact CG2-CH2 4.25Å; I130-W216 HydrophobicContact CG2-CZ2 4.3Å
131	V	98.4	Very high	97.9	Very high	56 Å²	56	60.7 Å²	60.7	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-39.6	177.3	172.6	0	0	0	0	111.4	Y127 P135	Y127-V131 HydrophobicContact CD1-CG2 4.44Å; Y127-V131 HydrophobicContact CE1-CG2 4.07Å; Y127-V131 HydrophobicContact CE2-CG2 4.34Å; Y127-V131 WeakPolarHBondContact O-CG2 3.35Å; Y127-V131 PolarHBondContact O-N 2.98Å; V131-P135 WeakPolarHBondContact O-CA 3.46Å
132	H	97.5	Very high	97.9	Very high	106 Å²	106	55.8 Å²	55.8	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-68.4	-50.3	178.9	178	68	0	0	0	113.2	T84 Q128 H129 I130	T84-H132 WeakPolarHBondContact CB-O 3.46Å; T84-H132 WeakPolarHBondContact CG2-O 3.3Å; Q128-H132 VanDerWaalsContact O-CB 3.32Å; Q128-H132 WeakPolarHBondContact O-CB 3.45Å; Q128-H132 PolarHBondContact O-N 3.2Å; H129-H132 PolarHBondContact O-N 3.42Å; I130-H132 VanDerWaalsContact C-N 3.28Å; I130-H132 PolarHBondContact O-N 2.78Å
133	F	97.9	Very high	97.9	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-79.8	-30	-173.9	-72.7	-67	0	0	0	113.2	A81 T84 G85 T89 F91 R95 H129 I130 P135	A81-F133 WeakPolarHBondContact O-CE1 3.35Å; T84-F133 HydrophobicContact CG2-CD1 4.01Å; T84-F133 HydrophobicContact CG2-CE1 4.45Å; G85-F133 PolarHBondContact N-O 3.18Å; T89-F133 HydrophobicContact CG2-CB 4.02Å; F91-F133 HydrophobicContact CD1-CD2 4.17Å; F91-F133 HydrophobicContact CE1-CB 3.74Å; F91-F133 AromaticContact CE1-CD2 3.75Å; F91-F133 HydrophobicContact CE1-CD2 3.75Å; F91-F133 HydrophobicContact CE1-CG 4.05Å; F91-F133 HydrophobicContact CZ-CB 4.1Å; R95-F133 HydrophobicContact CB-CE2 3.92Å; R95-F133 HydrophobicContact CB-CZ 4.22Å; R95-F133 HydrophobicContact CG-CE2 4.28Å; R95-F133 HydrophobicContact CG-CZ 4.1Å; H129-F133 HydrophobicContact CB-CD2 4.26Å; H129-F133 HydrophobicContact CB-CE2 4.39Å; H129-F133 WeakPolarHBondContact O-CD2 3.44Å; H129-F133 PolarHBondContact O-N 3.34Å; I130-F133 PolarHBondContact O-N 3.12Å; F133-P135 WeakPolarHBondContact O-CD 3.31Å
134	I	97.9	Very high	97.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.262	C	S	.	.			trans	-123.6	77.8	177.8	-51.4	178.4	0	0	0	107.7	T89 F91 I130 S136 F139 A143 R211 W216	T89-I134 HydrophobicContact CG2-CD1 4.16Å; T89-I134 HydrophobicContact CG2-CG1 3.9Å; F91-I134 HydrophobicContact CE2-CD1 3.92Å; F91-I134 HydrophobicContact CZ-CD1 3.87Å; F91-I134 HydrophobicContact CZ-CG1 4.11Å; I130-I134 CarbonylContact O-C 3.22Å; I130-I134 WeakPolarHBondContact O-CA 3.35Å; I130-I134 PolarHBondContact O-N 3.15Å; I134-S136 PolarHBondContact O-N 3.29Å; I134-F139 HydrophobicContact CD1-CD1 4.37Å; I134-F139 HydrophobicContact CD1-CE1 4.2Å; I134-F139 HydrophobicContact CG2-CB 3.54Å; I134-F139 HydrophobicContact CG2-CD1 3.58Å; I134-F139 HydrophobicContact CG2-CD2 3.82Å; I134-F139 HydrophobicContact CG2-CE1 4.19Å; I134-F139 HydrophobicContact CG2-CE2 4.39Å; I134-F139 HydrophobicContact CG2-CG 3.36Å; I134-A143 HydrophobicContact CD1-CB 3.97Å; I134-R211 HydrophobicContact CB-CG 4.44Å; I134-R211 HydrophobicContact CG2-CG 4.01Å; I134-R211 PolarHBondContact O-NE 3.07Å; I134-R211 PolarHBondContact O-NH2 2.86Å; I134-W216 HydrophobicContact CD1-CH2 4.07Å; I134-W216 HydrophobicContact CD1-CZ2 4.09Å
135	P	97.4	Very high	97.9	Very high	70 Å²	70	49.8 Å²	49.8	46%	0.455	24%	0.238	S	C	.	.			trans	-65	-38.6	-175.3	23.3	-33.9	0	0	0	113.6	V131 F133 E137 R211	V131-P135 WeakPolarHBondContact O-CA 3.46Å; F133-P135 WeakPolarHBondContact O-CD 3.31Å; P135-E137 PolarHBondContact O-N 2.56Å; P135-R211 PolarHBondContact O-NH2 3.29Å
136	S	97.4	Very high	97.8	Very high	49 Å²	49	47.4 Å²	47.4	34%	0.343	23%	0.228	S	C	.	.			trans	-71.1	128.3	179.3	133.7	0	0	0	0	110.9	I134 D138 F139 R211	I134-S136 PolarHBondContact O-N 3.29Å; S136-D138 WeakPolarHBondContact CB-OD1 3.47Å; S136-D138 PolarHBondContact OG-OD1 2.62Å; S136-F139 VanDerWaalsContact O-CB 3.31Å; S136-F139 WeakPolarHBondContact O-CB 3.46Å; S136-F139 WeakPolarHBondContact OG-CA 3.11Å; S136-F139 PolarHBondContact OG-N 2.87Å; S136-F139 VanDerWaalsContact OG-N 3.12Å; S136-R211 WeakPolarHBondContact O-CD 3.33Å; S136-R211 PolarHBondContact O-NE 3.02Å; S136-R211 VanDerWaalsContact O-NE 3.07Å
137	E	96.1	Very high	97.8	Very high	144 Å²	144	47.9 Å²	47.9	67%	0.673	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-31.1	179.2	-57.4	-164.4	157.1	0	0	112.4	P135 F139	P135-E137 PolarHBondContact O-N 2.56Å; E137-F139 PolarHBondContact O-N 3.26Å
138	D	95.1	Very high	97.7	Very high	109 Å²	109	46.8 Å²	46.8	58%	0.583	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	8.3	177.2	69.2	-36.5	0	0	0	113.5	S136 R140	S136-D138 WeakPolarHBondContact CB-OD1 3.47Å; S136-D138 PolarHBondContact OG-OD1 2.62Å; D138-R140 WeakPolarHBondContact O-CG 3.47Å; D138-R140 PolarHBondContact O-N 3.22Å
139	F	96.4	Very high	97.7	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.075	22%	0.223	C	C	.	.			trans	-47.5	122.8	-175.1	175.7	-103.4	0	0	0	113.7	Q86 N87 I134 S136 E137 G141 N213 A214	Q86-F139 WeakPolarHBondContact O-CE2 3.49Å; Q86-F139 VanDerWaalsContact O-CZ 3.23Å; Q86-F139 WeakPolarHBondContact O-CZ 3.05Å; N87-F139 WeakPolarHBondContact O-CZ 3.45Å; I134-F139 HydrophobicContact CD1-CD1 4.37Å; I134-F139 HydrophobicContact CD1-CE1 4.2Å; I134-F139 HydrophobicContact CG2-CB 3.54Å; I134-F139 HydrophobicContact CG2-CD1 3.58Å; I134-F139 HydrophobicContact CG2-CD2 3.82Å; I134-F139 HydrophobicContact CG2-CE1 4.19Å; I134-F139 HydrophobicContact CG2-CE2 4.39Å; I134-F139 HydrophobicContact CG2-CG 3.36Å; S136-F139 VanDerWaalsContact O-CB 3.31Å; S136-F139 WeakPolarHBondContact O-CB 3.46Å; S136-F139 WeakPolarHBondContact OG-CA 3.11Å; S136-F139 PolarHBondContact OG-N 2.87Å; S136-F139 VanDerWaalsContact OG-N 3.12Å; E137-F139 PolarHBondContact O-N 3.26Å; F139-G141 VanDerWaalsContact CE1-C 3.5Å; F139-G141 VanDerWaalsContact CE1-CA 3.49Å; F139-G141 VanDerWaalsContact CZ-CA 3.46Å; F139-N213 CarbonylContact O-C 3.48Å; F139-N213 VanDerWaalsContact O-C 3.22Å; F139-N213 WeakPolarHBondContact O-CB 3.39Å; F139-A214 HydrophobicContact CD1-CB 3.56Å; F139-A214 HydrophobicContact CE1-CB 3.97Å; F139-A214 PolarHBondContact O-N 3.16Å
140	R	96	Very high	97.7	Very high	176 Å²	176	44.4 Å²	44.4	66%	0.664	22%	0.217	S	C	*	.			trans	-113.4	80.2	176.4	-64.6	179.9	-172.9	-150.6	0.2	110.2	D138 N213	D138-R140 WeakPolarHBondContact O-CG 3.47Å; D138-R140 PolarHBondContact O-N 3.22Å; R140-N213 HydrophobicContact CG-CB 3.97Å
141	G	97.6	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-156.3	-168.3	-179.2	0	0	0	0	0	112.7	N87 F139 L215	N87-G141 CarbonylContact O-C 3.55Å; N87-G141 VanDerWaalsContact O-CA 3.23Å; N87-G141 WeakPolarHBondContact O-CA 3.46Å; F139-G141 VanDerWaalsContact CE1-C 3.5Å; F139-G141 VanDerWaalsContact CE1-CA 3.49Å; F139-G141 VanDerWaalsContact CZ-CA 3.46Å; G141-L215 PolarHBondContact O-N 3.12Å
142	L	98.8	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.5	-178.2	-51.4	-176.8	0	0	0	109.6	L42 A51 I75 N87 V88 T89 V144 L215 F260 Y302 I338	L42-L142 HydrophobicContact CD2-CD2 4Å; A51-L142 HydrophobicContact CB-CD1 4.25Å; I75-L142 HydrophobicContact CD1-CD1 3.63Å; I75-L142 HydrophobicContact CD1-CD2 4.43Å; I75-L142 HydrophobicContact CD1-CG 3.62Å; N87-L142 PolarHBondContact O-N 3.3Å; V88-L142 HydrophobicContact CG1-CB 4.37Å; V88-L142 HydrophobicContact CG2-CD1 4.32Å; T89-L142 PolarHBondContact N-O 3.09Å; L142-V144 HydrophobicContact CB-CG2 4.35Å; L142-L215 HydrophobicContact CD2-CB 3.85Å; L142-L215 HydrophobicContact CD2-CD1 3.87Å; L142-L215 HydrophobicContact CD2-CG 4.43Å; L142-F260 HydrophobicContact CB-CE1 4.41Å; L142-F260 HydrophobicContact CB-CZ 4.41Å; L142-F260 HydrophobicContact CD1-CE1 4.36Å; L142-F260 HydrophobicContact CD2-CE1 4.4Å; L142-Y302 HydrophobicContact CD1-CD1 4.18Å; L142-Y302 HydrophobicContact CD1-CG 4.21Å; L142-Y302 HydrophobicContact CD2-CD1 4.37Å; L142-Y302 HydrophobicContact CD2-CD2 3.94Å; L142-Y302 HydrophobicContact CD2-CE1 4.24Å; L142-Y302 HydrophobicContact CD2-CE2 3.79Å; L142-Y302 HydrophobicContact CD2-CG 4.23Å; L142-I338 HydrophobicContact CD1-CD1 3.65Å; L142-I338 HydrophobicContact CD1-CG1 3.75Å
143	A	98.5	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	95.6	177.7	0	0	0	0	0	109.3	T89 F91 I134 A214 L215 W216 G217	T89-A143 WeakPolarHBondContact O-CA 3.27Å; F91-A143 HydrophobicContact CE2-CB 4.49Å; I134-A143 HydrophobicContact CD1-CB 3.97Å; A143-A214 HydrophobicContact CB-CB 4.35Å; A143-L215 PolarHBondContact N-O 3.47Å; A143-W216 HydrophobicContact CB-CD2 3.46Å; A143-W216 VanDerWaalsContact CB-CD2 3.46Å; A143-W216 HydrophobicContact CB-CE3 3.5Å; A143-W216 HydrophobicContact CB-CG 4.06Å; A143-W216 HydrophobicContact CB-CH2 3.85Å; A143-W216 HydrophobicContact CB-CZ2 3.83Å; A143-W216 HydrophobicContact CB-CZ3 3.71Å; A143-W216 WeakPolarHBondContact O-CA 3.14Å; A143-G217 PolarHBondContact O-N 2.91Å
144	V	98.7	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.2	-168.6	-171.9	0	0	0	0	110.3	T89 I90 F91 L142 F260 Y304	T89-V144 PolarHBondContact O-N 2.04Å; I90-V144 CarbonylContact C-O 3.04Å; I90-V144 WeakPolarHBondContact CA-O 3.02Å; I90-V144 HydrophobicContact CG1-CB 4.44Å; F91-V144 PolarHBondContact N-O 3.4Å; L142-V144 HydrophobicContact CB-CG2 4.35Å; V144-F260 HydrophobicContact CG1-CB 4.49Å; V144-F260 HydrophobicContact CG1-CD2 4.19Å; V144-F260 HydrophobicContact CG1-CG 4.21Å; V144-F260 HydrophobicContact CG2-CD1 4.01Å; V144-F260 HydrophobicContact CG2-CD2 4.2Å; V144-F260 HydrophobicContact CG2-CE1 3.76Å; V144-F260 HydrophobicContact CG2-CE2 3.96Å; V144-F260 HydrophobicContact CG2-CG 4.23Å; V144-F260 HydrophobicContact CG2-CZ 3.74Å; V144-Y304 HydrophobicContact CB-CE2 4.48Å; V144-Y304 HydrophobicContact CG1-CE2 3.83Å; V144-Y304 WeakPolarHBondContact CG1-OH 3.08Å; V144-Y304 HydrophobicContact CG2-CE2 4.05Å; V144-Y304 WeakPolarHBondContact CG2-OH 3.37Å
145	I	98.8	Very high	97.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.5	176.7	-53	174	0	0	0	108.9	L96 W147 I204 W216 G217 F218 Y219	L96-I145 HydrophobicContact CD2-CB 4.34Å; L96-I145 HydrophobicContact CD2-CD1 3.82Å; L96-I145 HydrophobicContact CD2-CG1 3.7Å; L96-I145 HydrophobicContact CD2-CG2 3.81Å; I145-W147 HydrophobicContact CG2-CB 4.39Å; I145-W147 HydrophobicContact CG2-CD2 3.69Å; I145-W147 HydrophobicContact CG2-CE3 4.34Å; I145-W147 HydrophobicContact CG2-CG 3.69Å; I145-W147 HydrophobicContact CG2-CZ2 4.38Å; I145-I204 HydrophobicContact CD1-CB 4.35Å; I145-I204 HydrophobicContact CD1-CG1 4.44Å; I145-W216 HydrophobicContact CD1-CE3 4.21Å; I145-W216 HydrophobicContact CD1-CZ3 4.45Å; I145-W216 HydrophobicContact CG1-CE3 4.29Å; I145-W216 HydrophobicContact CG1-CZ3 4.36Å; I145-G217 PolarHBondContact N-O 3.48Å; I145-F218 HydrophobicContact CB-CD1 3.68Å; I145-F218 HydrophobicContact CB-CE1 3.8Å; I145-F218 HydrophobicContact CB-CG 4.25Å; I145-F218 HydrophobicContact CB-CZ 4.44Å; I145-F218 HydrophobicContact CD1-CE1 3.98Å; I145-F218 HydrophobicContact CD1-CE2 4.16Å; I145-F218 HydrophobicContact CD1-CZ 3.78Å; I145-F218 HydrophobicContact CG1-CE1 4.5Å; I145-F218 HydrophobicContact CG2-CD1 3.66Å; I145-F218 HydrophobicContact CG2-CE1 3.46Å; I145-F218 VanDerWaalsContact CG2-CE1 3.46Å; I145-F218 HydrophobicContact CG2-CZ 4.34Å; I145-F218 CarbonylContact O-C 3.54Å; I145-F218 WeakPolarHBondContact O-CA 3.33Å; I145-Y219 PolarHBondContact O-N 3.04Å
146	D	98.3	Very high	97.6	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	79.3	-177.1	-173.2	15.5	0	0	0	111.4	I90 F91 Y92 E148 Y219	I90-D146 HydrophobicContact CD1-CB 3.92Å; I90-D146 HydrophobicContact CG1-CB 3.88Å; F91-D146 PolarHBondContact O-N 2.88Å; Y92-D146 HydrophobicContact CD1-CB 3.95Å; Y92-D146 WeakPolarHBondContact CD1-OD2 3.26Å; Y92-D146 HydrophobicContact CE1-CB 4.36Å; Y92-D146 WeakPolarHBondContact CE1-OD2 3.39Å; D146-E148 WeakPolarHBondContact OD1-CG 3.39Å; D146-Y219 WeakPolarHBondContact OD1-CD1 3.29Å
147	W	98.2	Very high	97.6	Very high	11 Å²	11	36.5 Å²	36.5	4%	0.042	17%	0.166	C	C	.	.			trans	-111.5	87.2	-177.9	-76.8	4.1	0	0	0	110.8	L96 Y99 H122 I145 M200 T203 F218	L96-W147 HydrophobicContact CB-CZ2 4.35Å; L96-W147 HydrophobicContact CD2-CZ2 4.14Å; L96-W147 HydrophobicContact CG-CZ2 4.21Å; L96-W147 WeakPolarHBondContact O-CZ2 3.44Å; Y99-W147 HydrophobicContact CD1-CD2 4.49Å; Y99-W147 HydrophobicContact CD1-CG 4.27Å; Y99-W147 HydrophobicContact CD2-CB 4.43Å; Y99-W147 AromaticContact CD2-CD2 3.24Å; Y99-W147 HydrophobicContact CD2-CD2 3.24Å; Y99-W147 AromaticContact CD2-CE2 3.53Å; Y99-W147 AromaticContact CD2-CE3 3.35Å; Y99-W147 HydrophobicContact CD2-CE3 3.35Å; Y99-W147 AromaticContact CD2-CG 3.76Å; Y99-W147 HydrophobicContact CD2-CG 3.76Å; Y99-W147 AromaticContact CD2-CH2 3.99Å; Y99-W147 HydrophobicContact CD2-CH2 3.99Å; Y99-W147 AromaticContact CD2-CZ2 3.91Å; Y99-W147 HydrophobicContact CD2-CZ2 3.91Å; Y99-W147 AromaticContact CD2-CZ3 3.73Å; Y99-W147 HydrophobicContact CD2-CZ3 3.73Å; Y99-W147 HydrophobicContact CE1-CB 4.22Å; Y99-W147 HydrophobicContact CE1-CG 4.15Å; Y99-W147 HydrophobicContact CE2-CB 3.8Å; Y99-W147 AromaticContact CE2-CD2 3.41Å; Y99-W147 HydrophobicContact CE2-CD2 3.41Å; Y99-W147 VanDerWaalsContact CE2-CD2 3.41Å; Y99-W147 AromaticContact CE2-CE3 3.37Å; Y99-W147 HydrophobicContact CE2-CE3 3.37Å; Y99-W147 AromaticContact CE2-CG 3.63Å; Y99-W147 HydrophobicContact CE2-CG 3.63Å; Y99-W147 HydrophobicContact CE2-CZ3 4.1Å; Y99-W147 AromaticContact CG-CD2 3.83Å; Y99-W147 HydrophobicContact CG-CD2 3.83Å; Y99-W147 AromaticContact CG-CE2 3.74Å; Y99-W147 HydrophobicContact CG-CE3 4.36Å; Y99-W147 HydrophobicContact CG-CG 4.07Å; Y99-W147 HydrophobicContact CG-CZ2 4.22Å; Y99-W147 AromaticContact CG-NE1 3.89Å; Y99-W147 AromaticContact CZ-CG 3.84Å; H122-W147 AromaticContact CE1-CH2 3.48Å; H122-W147 VanDerWaalsContact CE1-CH2 3.48Å; H122-W147 WeakPolarHBondContact CE1-CH2 3Å; H122-W147 AromaticContact CE1-CZ2 3.68Å; H122-W147 AromaticContact NE2-CH2 3.63Å; I145-W147 HydrophobicContact CG2-CB 4.39Å; I145-W147 HydrophobicContact CG2-CD2 3.69Å; I145-W147 HydrophobicContact CG2-CE3 4.34Å; I145-W147 HydrophobicContact CG2-CG 3.69Å; I145-W147 HydrophobicContact CG2-CZ2 4.38Å; W147-M200 HydrophobicContact CE3-CG 4.32Å; W147-M200 HydrophobicContact CZ3-CG 4.3Å; W147-T203 HydrophobicContact CH2-CG2 3.71Å; W147-T203 WeakPolarHBondContact CH2-OG1 3.35Å; W147-T203 HydrophobicContact CZ2-CG2 4.08Å; W147-F218 HydrophobicContact CD2-CE1 4.28Å; W147-F218 AromaticContact CE3-CE1 3.81Å; W147-F218 HydrophobicContact CE3-CE1 3.81Å; W147-F218 HydrophobicContact CZ3-CE1 4.3Å
148	E	97.3	Very high	97.6	Very high	92 Å²	92	33.7 Å²	33.7	43%	0.43	15%	0.15	S	C	.	.			trans	-98.9	4.6	-174.4	-57.5	-166.6	-117.7	0	0	114.4	D146 K161 Y219 L220	D146-E148 WeakPolarHBondContact OD1-CG 3.39Å; E148-K161 PolarHBondContact O-NZ 3.48Å; E148-Y219 HydrophobicContact CG-CD1 4.28Å; E148-Y219 HydrophobicContact CG-CE1 4.43Å; E148-L220 HydrophobicContact CG-CD1 4.1Å; E148-L220 WeakPolarHBondContact OE2-CD1 3.29Å
149	F	98.1	Very high	97.6	Very high	71 Å²	71	35.8 Å²	35.8	31%	0.311	16%	0.156	S	C	.	.	S	Bend	trans	-76	-48.2	-170.5	-84.6	-91.4	0	0	0	112.6	A93 Y99 Y101 K161 Y164	A93-F149 HydrophobicContact CB-CD2 3.97Å; A93-F149 HydrophobicContact CB-CE2 3.7Å; Y99-F149 HydrophobicContact CE1-CB 3.78Å; Y99-F149 AromaticContact CE1-CD2 3.79Å; Y99-F149 HydrophobicContact CE1-CD2 3.79Å; Y99-F149 HydrophobicContact CE1-CG 4.17Å; Y99-F149 PolarHBondContact OH-N 2.78Å; Y101-F149 VanDerWaalsContact CB-CG 3.5Å; Y101-F149 AromaticContact CD2-CD1 3.52Å; Y101-F149 HydrophobicContact CD2-CD1 3.52Å; Y101-F149 HydrophobicContact CD2-CD2 4.3Å; Y101-F149 AromaticContact CD2-CE1 3.23Å; Y101-F149 HydrophobicContact CD2-CE1 3.23Å; Y101-F149 HydrophobicContact CD2-CE2 4.04Å; Y101-F149 HydrophobicContact CD2-CG 4.04Å; Y101-F149 AromaticContact CD2-CZ 3.5Å; Y101-F149 HydrophobicContact CD2-CZ 3.5Å; Y101-F149 VanDerWaalsContact CD2-CZ 3.5Å; Y101-F149 HydrophobicContact CE2-CD1 4.46Å; Y101-F149 AromaticContact CE2-CE1 3.76Å; Y101-F149 HydrophobicContact CE2-CE1 3.76Å; Y101-F149 HydrophobicContact CE2-CE2 4.29Å; Y101-F149 AromaticContact CE2-CZ 3.64Å; Y101-F149 HydrophobicContact CE2-CZ 3.64Å; Y101-F149 AromaticContact CG-CD1 3.82Å; Y101-F149 HydrophobicContact CG-CD1 3.82Å; Y101-F149 HydrophobicContact CG-CD2 4.09Å; Y101-F149 AromaticContact CG-CE1 3.94Å; Y101-F149 HydrophobicContact CG-CE1 3.94Å; Y101-F149 HydrophobicContact CG-CE2 4.18Å; Y101-F149 AromaticContact CG-CG 3.88Å; Y101-F149 HydrophobicContact CG-CG 3.88Å; Y101-F149 HydrophobicContact CG-CZ 4.1Å; F149-K161 PolarHBondContact O-NZ 3.26Å; F149-Y164 WeakPolarHBondContact CB-OH 3.36Å; F149-Y164 WeakPolarHBondContact O-CE2 3.31Å
150	W	98.3	Very high	97.6	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.011	19%	0.194	C	C	.	.			trans	-128	161.1	174.4	47.5	-98	0	0	0	111	Y99 P100 P114 N157 Y164 F192 A196 F199 M200	Y99-W150 AromaticContact CD2-CZ2 3.92Å; Y99-W150 HydrophobicContact CD2-CZ2 3.92Å; Y99-W150 HydrophobicContact CE2-CD2 4.29Å; Y99-W150 AromaticContact CE2-CE2 3.37Å; Y99-W150 HydrophobicContact CE2-CH2 4.02Å; Y99-W150 AromaticContact CE2-CZ2 3.24Å; Y99-W150 HydrophobicContact CE2-CZ2 3.24Å; Y99-W150 AromaticContact CE2-NE1 3.49Å; Y99-W150 AromaticContact CZ-CE2 3.74Å; Y99-W150 AromaticContact CZ-NE1 3.49Å; Y99-W150 PolarHBondContact OH-N 2.84Å; Y99-W150 PolarHBondContact OH-NE1 3.36Å; P100-W150 HydrophobicContact CG-CZ2 4.47Å; P100-W150 PolarHBondContact O-NE1 3.21Å; P114-W150 HydrophobicContact CB-CZ2 4.26Å; P114-W150 HydrophobicContact CG-CZ2 4.39Å; W150-N157 WeakPolarHBondContact CA-OD1 3.46Å; W150-Y164 HydrophobicContact CB-CD1 3.89Å; W150-Y164 HydrophobicContact CB-CD2 3.76Å; W150-Y164 HydrophobicContact CB-CE1 4Å; W150-Y164 HydrophobicContact CB-CE2 3.92Å; W150-Y164 HydrophobicContact CB-CG 3.8Å; W150-Y164 AromaticContact CD1-CD1 3.96Å; W150-Y164 AromaticContact CD1-CE1 3.52Å; W150-Y164 AromaticContact CD1-CZ 3.94Å; W150-Y164 HydrophobicContact CG-CD1 4.23Å; W150-Y164 HydrophobicContact CG-CE1 4.13Å; W150-F192 HydrophobicContact CB-CZ 4.19Å; W150-F192 HydrophobicContact CE3-CZ 4.4Å; W150-F192 HydrophobicContact CG-CZ 4.5Å; W150-A196 HydrophobicContact CE3-CB 4.21Å; W150-A196 HydrophobicContact CH2-CB 4.2Å; W150-A196 HydrophobicContact CZ3-CB 3.68Å; W150-F199 HydrophobicContact CH2-CB 4.39Å; W150-M200 HydrophobicContact CH2-CG 3.89Å; W150-M200 HydrophobicContact CH2-SD 4.32Å; W150-M200 HydrophobicContact CZ3-CG 3.97Å; W150-M200 HydrophobicContact CZ3-SD 3.79Å
151	R	98.3	Very high	97.7	Very high	35 Å²	35	38.1 Å²	38.1	13%	0.132	17%	0.171	C	C	.	.			trans	-107.9	145.7	176	-63.2	169.3	-177.9	147.3	-12.2	108.7	Q153 R156 N157 K161 F192	R151-Q153 PolarHBondContact O-N 3.33Å; R151-R156 HydrophobicContact CB-CB 3.96Å; R151-R156 VanDerWaalsContact CD-CB 3.49Å; R151-R156 VanDerWaalsContact CD-O 3.31Å; R151-R156 WeakPolarHBondContact CD-O 3.2Å; R151-R156 HydrophobicContact CG-CB 4.37Å; R151-R156 PolarHBondContact NH1-O 3.15Å; R151-N157 PolarHBondContact N-OD1 3.43Å; R151-N157 PolarHBondContact O-ND2 2.91Å; R151-K161 HydrophobicContact CG-CD 4.17Å; R151-F192 WeakPolarHBondContact O-CE1 3.42Å; R151-F192 WeakPolarHBondContact O-CZ 3.43Å
152	P	98.2	Very high	97.7	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.032	18%	0.183	C	C	.	.	S	Bend	trans	-67.6	-19.4	-174.8	25.9	-33.3	0	0	0	113.8	A196 M200 Y221 L249 W251	P152-A196 HydrophobicContact CB-CB 4.17Å; P152-M200 HydrophobicContact CB-SD 3.76Å; P152-M200 HydrophobicContact CG-CE 4.48Å; P152-M200 HydrophobicContact CG-SD 3.75Å; P152-Y221 WeakPolarHBondContact CD-OH 3.32Å; P152-L249 HydrophobicContact CG-CD1 4.5Å; P152-L249 HydrophobicContact CG-CD2 3.92Å; P152-W251 HydrophobicContact CB-CH2 4.29Å; P152-W251 HydrophobicContact CB-CZ2 3.98Å; P152-W251 HydrophobicContact CG-CZ2 4.29Å
153	Q	98.1	Very high	97.7	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	19%	0.191	C	C	.	.	S	Bend	trans	-95.9	128.3	176.3	-67.6	162.6	-67.1	0	0	110.5	R151 D155 R156 N157 R245 E248 L249	R151-Q153 PolarHBondContact O-N 3.33Å; Q153-D155 PolarHBondContact O-N 2.95Å; Q153-R156 HydrophobicContact CB-CB 4.47Å; Q153-R156 HydrophobicContact CB-CG 4.28Å; Q153-R156 PolarHBondContact O-N 2.95Å; Q153-R156 VanDerWaalsContact O-N 3.17Å; Q153-N157 PolarHBondContact O-ND2 3.37Å; Q153-R245 VanDerWaalsContact NE2-CB 3.3Å; Q153-R245 PolarHBondContact NE2-O 2.69Å; Q153-E248 PolarHBondContact NE2-OE2 3.5Å; Q153-L249 HydrophobicContact CG-CD2 4.01Å; Q153-L249 HydrophobicContact CG-CG 4.48Å
154	W	98.3	Very high	97.7	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.011	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-53	-50.4	-176.4	178.4	-101.7	0	0	0	112.4	R156 N157 R165 K169 E185 A188 Q189 F192 E193	W154-R156 PolarHBondContact O-N 3.38Å; W154-N157 WeakPolarHBondContact O-CB 3.38Å; W154-N157 PolarHBondContact O-N 3.27Å; W154-R165 HydrophobicContact CD2-CG 3.8Å; W154-R165 HydrophobicContact CE3-CG 3.96Å; W154-R165 VanDerWaalsContact CH2-CA 3.44Å; W154-R165 HydrophobicContact CH2-CB 3.66Å; W154-R165 HydrophobicContact CH2-CG 3.94Å; W154-R165 WeakPolarHBondContact CH2-O 3.39Å; W154-R165 HydrophobicContact CZ2-CB 3.61Å; W154-R165 HydrophobicContact CZ2-CG 3.74Å; W154-R165 HydrophobicContact CZ3-CB 4.14Å; W154-R165 HydrophobicContact CZ3-CG 4.04Å; W154-K169 HydrophobicContact CH2-CG 4.27Å; W154-E185 VanDerWaalsContact CZ2-OE1 3.27Å; W154-E185 WeakPolarHBondContact CZ2-OE1 3.36Å; W154-E185 PolarHBondContact NE1-OE1 3.45Å; W154-A188 HydrophobicContact CH2-CB 3.85Å; W154-A188 HydrophobicContact CZ3-CB 4.3Å; W154-Q189 HydrophobicContact CB-CB 4.47Å; W154-Q189 HydrophobicContact CB-CG 3.73Å; W154-Q189 HydrophobicContact CD2-CB 3.84Å; W154-Q189 HydrophobicContact CD2-CG 4.1Å; W154-Q189 HydrophobicContact CE3-CB 4.14Å; W154-Q189 HydrophobicContact CG-CB 4.01Å; W154-Q189 HydrophobicContact CG-CG 3.74Å; W154-F192 HydrophobicContact CE3-CB 4.04Å; W154-F192 AromaticContact CE3-CD1 3.97Å; W154-F192 HydrophobicContact CE3-CD1 3.97Å; W154-F192 HydrophobicContact CE3-CG 4.12Å; W154-F192 HydrophobicContact CZ3-CB 4.05Å; W154-F192 HydrophobicContact CZ3-CG 4.35Å; W154-E193 HydrophobicContact CB-CG 4.04Å; W154-E193 WeakPolarHBondContact CB-OE1 3.23Å; W154-E193 PolarHBondContact N-OE1 2.85Å
155	D	96.4	Very high	97.7	Very high	74 Å²	74	45.2 Å²	45.2	40%	0.396	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-64.7	-24.5	-175.4	-71.1	-16.4	0	0	0	113.6	Q153 N157 R245	Q153-D155 PolarHBondContact O-N 2.95Å; D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 3.46Å; D155-R245 IonicContact OD2-NH2 3.8Å; D155-R245 PolarHBondContact OD2-NH2 3.22Å
156	R	96.8	Very high	97.7	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79.2	-9	175.9	-64.8	-172.7	161.5	170.1	-14.4	112.1	R151 Q153 W154 W158 E242 N246	R151-R156 HydrophobicContact CB-CB 3.96Å; R151-R156 VanDerWaalsContact CD-CB 3.49Å; R151-R156 VanDerWaalsContact CD-O 3.31Å; R151-R156 WeakPolarHBondContact CD-O 3.2Å; R151-R156 HydrophobicContact CG-CB 4.37Å; R151-R156 PolarHBondContact NH1-O 3.15Å; Q153-R156 HydrophobicContact CB-CB 4.47Å; Q153-R156 HydrophobicContact CB-CG 4.28Å; Q153-R156 PolarHBondContact O-N 2.95Å; Q153-R156 VanDerWaalsContact O-N 3.17Å; W154-R156 PolarHBondContact O-N 3.38Å; R156-W158 PolarHBondContact O-N 3.45Å; R156-E242 IonicContact CZ-OE2 3.12Å; R156-E242 IonicContact NE-OE2 3.03Å; R156-E242 PolarHBondContact NE-OE2 3.45Å; R156-E242 PolarHBondContact NH2-O 3.39Å; R156-E242 IonicContact NH2-OE2 2.79Å; R156-E242 PolarHBondContact NH2-OE2 2.85Å; R156-N246 PolarHBondContact NH1-OD1 2.83Å; R156-N246 PolarHBondContact NH2-OD1 3.03Å
157	N	98.1	Very high	97.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.233	C	C	.	.			trans	-84.8	58.2	177.4	-69.1	-77	0	0	0	112.6	W150 R151 Q153 W154 D155 K161 N162 R165 F192	W150-N157 WeakPolarHBondContact CA-OD1 3.46Å; R151-N157 PolarHBondContact N-OD1 3.43Å; R151-N157 PolarHBondContact O-ND2 2.91Å; Q153-N157 PolarHBondContact O-ND2 3.37Å; W154-N157 WeakPolarHBondContact O-CB 3.38Å; W154-N157 PolarHBondContact O-N 3.27Å; D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 3.46Å; N157-K161 HydrophobicContact CB-CB 4.01Å; N157-K161 CarbonylContact O-C 3.6Å; N157-N162 VanDerWaalsContact O-CA 3.29Å; N157-N162 WeakPolarHBondContact O-CA 3.34Å; N157-N162 PolarHBondContact O-N 3.05Å; N157-R165 HydrophobicContact CB-CG 4.09Å; N157-R165 PolarHBondContact O-NE 2.91Å; N157-F192 WeakPolarHBondContact ND2-CE1 3.45Å
158	W	95.8	Very high	97.7	Very high	85 Å²	85	51.4 Å²	51.4	32%	0.322	23%	0.231	S	C	.	.			trans	-94.2	176.2	178.1	46.8	-114.2	0	0	0	113.7	R156 K160 K161	R156-W158 PolarHBondContact O-N 3.45Å; W158-K160 PolarHBondContact O-N 3.29Å; W158-K161 WeakPolarHBondContact O-CA 3.17Å; W158-K161 WeakPolarHBondContact O-CB 3.22Å; W158-K161 PolarHBondContact O-N 2.58Å
159	H	95.6	Very high	97.8	Very high	153 Å²	153	50 Å²	50	71%	0.708	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	45.5	-121.1	-176.5	-53.9	-43.6	0	0	0	112.7	K161 N162	H159-K161 PolarHBondContact O-N 2.85Å; H159-K161 VanDerWaalsContact O-N 3.09Å; H159-N162 WeakPolarHBondContact O-CB 3.36Å; H159-N162 PolarHBondContact O-N 3.15Å
160	K	95.3	Very high	97.7	Very high	204 Å²	204	50.5 Å²	50.5	89%	0.887	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-60.2	-20.8	179.9	-64.2	-174.7	179.2	-178.1	0	113.4	W158 N162	W158-K160 PolarHBondContact O-N 3.29Å; K160-N162 VanDerWaalsContact C-N 3.34Å
161	K	97.7	Very high	97.7	Very high	38 Å²	38	52.2 Å²	52.2	17%	0.165	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-86.2	-4	176.2	-55.7	-173.9	-177.2	-50.5	0	113.1	E148 F149 R151 N157 W158 H159 I163 Y164	E148-K161 PolarHBondContact O-NZ 3.48Å; F149-K161 PolarHBondContact O-NZ 3.26Å; R151-K161 HydrophobicContact CG-CD 4.17Å; N157-K161 HydrophobicContact CB-CB 4.01Å; N157-K161 CarbonylContact O-C 3.6Å; W158-K161 WeakPolarHBondContact O-CA 3.17Å; W158-K161 WeakPolarHBondContact O-CB 3.22Å; W158-K161 PolarHBondContact O-N 2.58Å; H159-K161 PolarHBondContact O-N 2.85Å; H159-K161 VanDerWaalsContact O-N 3.09Å; K161-I163 PolarHBondContact O-N 3.17Å; K161-I163 VanDerWaalsContact O-N 3.1Å; K161-Y164 HydrophobicContact CB-CD2 4.07Å; K161-Y164 HydrophobicContact CB-CE2 4.48Å; K161-Y164 VanDerWaalsContact O-CD2 3.22Å; K161-Y164 WeakPolarHBondContact O-CD2 3.34Å; K161-Y164 PolarHBondContact O-N 3.25Å
162	N	98	Very high	97.7	Very high	48 Å²	48	50.7 Å²	50.7	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-22.7	179	-166.9	52.4	0	0	0	113	N157 H159 K160 Y164 R165 Q166	N157-N162 VanDerWaalsContact O-CA 3.29Å; N157-N162 WeakPolarHBondContact O-CA 3.34Å; N157-N162 PolarHBondContact O-N 3.05Å; H159-N162 WeakPolarHBondContact O-CB 3.36Å; H159-N162 PolarHBondContact O-N 3.15Å; K160-N162 VanDerWaalsContact C-N 3.34Å; N162-Y164 PolarHBondContact O-N 3.35Å; N162-R165 PolarHBondContact O-N 3.37Å; N162-R165 VanDerWaalsContact OD1-CZ 3.25Å; N162-R165 PolarHBondContact OD1-NE 2.68Å; N162-R165 PolarHBondContact OD1-NH2 2.81Å; N162-Q166 PolarHBondContact ND2-NE2 3Å; N162-Q166 WeakPolarHBondContact O-CG 3.47Å; N162-Q166 PolarHBondContact O-N 2.86Å
163	I	98.4	Very high	97.6	Very high	35 Å²	35	56.8 Å²	56.8	18%	0.179	26%	0.257	C	S	.	.	H	α-helix	trans	-53.8	-36.2	172.2	-171.2	167.8	0	0	0	112.3	Y102 K161 R165 Q166 K167	Y102-I163 HydrophobicContact CD1-CD1 4.13Å; Y102-I163 HydrophobicContact CD2-CD1 4.18Å; Y102-I163 HydrophobicContact CD2-CG1 4.12Å; Y102-I163 HydrophobicContact CD2-CG2 4.34Å; Y102-I163 HydrophobicContact CG-CD1 3.77Å; Y102-I163 HydrophobicContact CG-CG1 4.22Å; K161-I163 PolarHBondContact O-N 3.17Å; K161-I163 VanDerWaalsContact O-N 3.1Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 2.79Å; I163-Q166 PolarHBondContact O-N 3.28Å; I163-K167 HydrophobicContact CG1-CG 3.87Å; I163-K167 WeakPolarHBondContact O-CB 3.37Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.41Å; I163-K167 PolarHBondContact O-N 2.9Å
164	Y	98.8	Very high	97.5	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-37.5	178.7	-62.9	-76.1	0	0	0	111.7	Y102 G112 L113 F149 W150 K161 N162 S168	Y102-Y164 AromaticContact CD2-CD1 3.91Å; Y102-Y164 HydrophobicContact CD2-CD1 3.91Å; Y102-Y164 AromaticContact CD2-CE1 3.55Å; Y102-Y164 HydrophobicContact CD2-CE1 3.55Å; Y102-Y164 HydrophobicContact CE2-CD1 4.12Å; Y102-Y164 HydrophobicContact CE2-CE1 4.13Å; Y102-Y164 PolarHBondContact N-OH 2.85Å; Y102-Y164 VanDerWaalsContact N-OH 3.16Å; G112-Y164 WeakPolarHBondContact O-CE1 3.32Å; L113-Y164 HydrophobicContact CD2-CD1 3.95Å; F149-Y164 WeakPolarHBondContact CB-OH 3.36Å; F149-Y164 WeakPolarHBondContact O-CE2 3.31Å; W150-Y164 HydrophobicContact CB-CD1 3.89Å; W150-Y164 HydrophobicContact CB-CD2 3.76Å; W150-Y164 HydrophobicContact CB-CE1 4Å; W150-Y164 HydrophobicContact CB-CE2 3.92Å; W150-Y164 HydrophobicContact CB-CG 3.8Å; W150-Y164 AromaticContact CD1-CD1 3.96Å; W150-Y164 AromaticContact CD1-CE1 3.52Å; W150-Y164 AromaticContact CD1-CZ 3.94Å; W150-Y164 HydrophobicContact CG-CD1 4.23Å; W150-Y164 HydrophobicContact CG-CE1 4.13Å; K161-Y164 HydrophobicContact CB-CD2 4.07Å; K161-Y164 HydrophobicContact CB-CE2 4.48Å; K161-Y164 VanDerWaalsContact O-CD2 3.22Å; K161-Y164 WeakPolarHBondContact O-CD2 3.34Å; K161-Y164 PolarHBondContact O-N 3.25Å; N162-Y164 PolarHBondContact O-N 3.35Å; Y164-S168 VanDerWaalsContact O-CB 3.23Å; Y164-S168 WeakPolarHBondContact O-CB 3.4Å; Y164-S168 PolarHBondContact O-N 3.4Å; Y164-S168 PolarHBondContact O-OG 3.49Å
165	R	98.7	Very high	97.3	Very high	58 Å²	58	67.4 Å²	67.4	22%	0.219	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-46.1	173.7	-62.2	-166.7	-67.1	-171.2	-0.4	111.4	W154 N157 N162 I163 S168 K169	W154-R165 HydrophobicContact CD2-CG 3.8Å; W154-R165 HydrophobicContact CE3-CG 3.96Å; W154-R165 VanDerWaalsContact CH2-CA 3.44Å; W154-R165 HydrophobicContact CH2-CB 3.66Å; W154-R165 HydrophobicContact CH2-CG 3.94Å; W154-R165 WeakPolarHBondContact CH2-O 3.39Å; W154-R165 HydrophobicContact CZ2-CB 3.61Å; W154-R165 HydrophobicContact CZ2-CG 3.74Å; W154-R165 HydrophobicContact CZ3-CB 4.14Å; W154-R165 HydrophobicContact CZ3-CG 4.04Å; N157-R165 HydrophobicContact CB-CG 4.09Å; N157-R165 PolarHBondContact O-NE 2.91Å; N162-R165 PolarHBondContact O-N 3.37Å; N162-R165 VanDerWaalsContact OD1-CZ 3.25Å; N162-R165 PolarHBondContact OD1-NE 2.68Å; N162-R165 PolarHBondContact OD1-NH2 2.81Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 2.79Å; R165-S168 PolarHBondContact O-N 3.08Å; R165-K169 WeakPolarHBondContact O-CG 3.3Å; R165-K169 PolarHBondContact O-N 3.29Å; R165-K169 VanDerWaalsContact O-N 3.09Å
166	Q	98.4	Very high	97.1	Very high	95 Å²	95	69.1 Å²	69.1	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-51.2	178.8	-70.8	173.3	-22.5	0	0	112	N162 I163 S168 K169 E170	N162-Q166 PolarHBondContact ND2-NE2 3Å; N162-Q166 WeakPolarHBondContact O-CG 3.47Å; N162-Q166 PolarHBondContact O-N 2.86Å; I163-Q166 PolarHBondContact O-N 3.28Å; Q166-S168 VanDerWaalsContact C-N 3.34Å; Q166-S168 PolarHBondContact O-N 3.43Å; Q166-K169 WeakPolarHBondContact O-CB 3.18Å; Q166-K169 PolarHBondContact O-N 3.46Å; Q166-K169 VanDerWaalsContact O-N 3.13Å; Q166-E170 PolarHBondContact O-N 3.07Å
167	K	98.6	Very high	96.9	Very high	59 Å²	59	75 Å²	75	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-32.6	-179.3	-65.3	-57.2	-174.2	-161.1	0	112.9	Y102 L113 I163 K169 E170 L171	Y102-K167 HydrophobicContact CE1-CG 4.05Å; Y102-K167 HydrophobicContact CE2-CB 3.93Å; Y102-K167 HydrophobicContact CE2-CG 3.88Å; Y102-K167 VanDerWaalsContact OH-CB 3.26Å; Y102-K167 WeakPolarHBondContact OH-CB 3.24Å; Y102-K167 WeakPolarHBondContact OH-CG 3.45Å; L113-K167 HydrophobicContact CD1-CB 3.92Å; L113-K167 HydrophobicContact CG-CB 4.5Å; I163-K167 HydrophobicContact CG1-CG 3.87Å; I163-K167 WeakPolarHBondContact O-CB 3.37Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.41Å; I163-K167 PolarHBondContact O-N 2.9Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 3.42Å; K167-E170 VanDerWaalsContact CD-OE2 3.24Å; K167-E170 WeakPolarHBondContact CD-OE2 3.45Å; K167-E170 IonicContact NZ-OE1 2.86Å; K167-E170 PolarHBondContact NZ-OE1 3.34Å; K167-E170 IonicContact NZ-OE2 2.73Å; K167-E170 PolarHBondContact NZ-OE2 3.45Å; K167-E170 PolarHBondContact O-N 3.45Å; K167-L171 WeakPolarHBondContact O-CB 3.22Å; K167-L171 PolarHBondContact O-N 3.35Å
168	S	98.8	Very high	96.6	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.9	-41.4	171.1	-62.6	0	0	0	0	111.4	L113 Q115 Y164 R165 Q166 L171 T172	L113-S168 WeakPolarHBondContact CD2-OG 3.05Å; Q115-S168 PolarHBondContact NE2-OG 2.97Å; Y164-S168 VanDerWaalsContact O-CB 3.23Å; Y164-S168 WeakPolarHBondContact O-CB 3.4Å; Y164-S168 PolarHBondContact O-N 3.4Å; Y164-S168 PolarHBondContact O-OG 3.49Å; R165-S168 PolarHBondContact O-N 3.08Å; Q166-S168 VanDerWaalsContact C-N 3.34Å; Q166-S168 PolarHBondContact O-N 3.43Å; S168-L171 PolarHBondContact O-N 3.07Å; S168-T172 PolarHBondContact O-N 3.38Å; S168-T172 PolarHBondContact O-OG1 3.13Å; S168-T172 VanDerWaalsContact O-OG1 3.07Å
169	K	98.6	Very high	96.5	Very high	62 Å²	62	80.8 Å²	80.8	27%	0.27	39%	0.39	S	S	.	.	H	α-helix	trans	-68	-42.5	176.3	-71.3	-171	-79.1	-162.9	0	113.1	W154 R165 Q166 K167 L171 T172 K173 V184 E185 A188	W154-K169 HydrophobicContact CH2-CG 4.27Å; R165-K169 WeakPolarHBondContact O-CG 3.3Å; R165-K169 PolarHBondContact O-N 3.29Å; R165-K169 VanDerWaalsContact O-N 3.09Å; Q166-K169 WeakPolarHBondContact O-CB 3.18Å; Q166-K169 PolarHBondContact O-N 3.46Å; Q166-K169 VanDerWaalsContact O-N 3.13Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 3.42Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 2.98Å; K169-T172 PolarHBondContact O-N 2.94Å; K169-K173 WeakPolarHBondContact O-CG 3.43Å; K169-K173 PolarHBondContact O-N 3.28Å; K169-V184 HydrophobicContact CB-CG1 3.81Å; K169-V184 HydrophobicContact CD-CG1 4.32Å; K169-V184 HydrophobicContact CG-CG1 3.92Å; K169-E185 WeakPolarHBondContact CD-OE2 3.5Å; K169-E185 WeakPolarHBondContact CE-OE2 3.34Å; K169-E185 IonicContact NZ-OE2 2.71Å; K169-E185 PolarHBondContact NZ-OE2 3.45Å; K169-A188 HydrophobicContact CB-CB 4.5Å; K169-A188 HydrophobicContact CG-CB 3.74Å
170	E	97.7	Very high	96.6	Very high	82 Å²	82	77.1 Å²	77.1	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-44.6	173.5	-72.1	175.2	-151.8	0	0	111.2	Q166 K167 T172 K173 K174	Q166-E170 PolarHBondContact O-N 3.07Å; K167-E170 VanDerWaalsContact CD-OE2 3.24Å; K167-E170 WeakPolarHBondContact CD-OE2 3.45Å; K167-E170 IonicContact NZ-OE1 2.86Å; K167-E170 PolarHBondContact NZ-OE1 3.34Å; K167-E170 IonicContact NZ-OE2 2.73Å; K167-E170 PolarHBondContact NZ-OE2 3.45Å; K167-E170 PolarHBondContact O-N 3.45Å; E170-T172 PolarHBondContact O-N 3.13Å; E170-K173 PolarHBondContact O-N 3.3Å; E170-K174 WeakPolarHBondContact O-CG 3.38Å; E170-K174 PolarHBondContact O-N 3.35Å; E170-K174 VanDerWaalsContact O-N 3.12Å
171	L	97.6	Very high	96.6	Very high	39 Å²	39	71.3 Å²	71.3	20%	0.204	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-43.1	177.2	-175	65.7	0	0	0	111.6	L113 Q115 N116 K167 S168 K169 K174 A175	L113-L171 HydrophobicContact CD1-CD2 4.32Å; Q115-L171 HydrophobicContact CG-CD2 3.8Å; N116-L171 HydrophobicContact CB-CD2 3.99Å; K167-L171 WeakPolarHBondContact O-CB 3.22Å; K167-L171 PolarHBondContact O-N 3.35Å; S168-L171 PolarHBondContact O-N 3.07Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 2.98Å; L171-K174 PolarHBondContact O-N 3.49Å; L171-A175 PolarHBondContact O-N 2.75Å
172	T	97.7	Very high	96.6	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.018	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-45.1	175.8	-62.4	0	0	0	0	111.8	S168 K169 E170 K174 A175 Y176 V184 L187	S168-T172 PolarHBondContact O-N 3.38Å; S168-T172 PolarHBondContact O-OG1 3.13Å; S168-T172 VanDerWaalsContact O-OG1 3.07Å; K169-T172 PolarHBondContact O-N 2.94Å; E170-T172 PolarHBondContact O-N 3.13Å; T172-K174 PolarHBondContact O-N 3.48Å; T172-A175 PolarHBondContact O-N 2.78Å; T172-Y176 HydrophobicContact CG2-CD2 3.88Å; T172-Y176 HydrophobicContact CG2-CE2 4.24Å; T172-Y176 WeakPolarHBondContact O-CD2 3.24Å; T172-Y176 PolarHBondContact O-N 3.07Å; T172-Y176 VanDerWaalsContact O-N 3.17Å; T172-V184 HydrophobicContact CG2-CG1 4.33Å; T172-V184 HydrophobicContact CG2-CG2 4.45Å; T172-L187 HydrophobicContact CG2-CB 3.78Å; T172-L187 HydrophobicContact CG2-CD1 4.29Å
173	K	96.8	Very high	96.5	Very high	134 Å²	134	75 Å²	75	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-60.8	-32.6	178.1	-74.5	179	178.6	-172	0	113.2	K169 E170 A175 V184	K169-K173 WeakPolarHBondContact O-CG 3.43Å; K169-K173 PolarHBondContact O-N 3.28Å; E170-K173 PolarHBondContact O-N 3.3Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-V184 HydrophobicContact CG-CG1 3.91Å; K173-V184 HydrophobicContact CG-CG2 3.8Å
174	K	95.3	Very high	96.5	Very high	179 Å²	179	73.5 Å²	73.5	78%	0.778	39%	0.389	S	S	*	.	H	α-helix	trans	-74.5	-25.9	175.6	-70.7	179.2	-179.1	-175.1	0	113	E170 L171 T172	E170-K174 WeakPolarHBondContact O-CG 3.38Å; E170-K174 PolarHBondContact O-N 3.35Å; E170-K174 VanDerWaalsContact O-N 3.12Å; L171-K174 PolarHBondContact O-N 3.49Å; T172-K174 PolarHBondContact O-N 3.48Å
175	A	94.1	Very high	96.5	Very high	58 Å²	58	76.1 Å²	76.1	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-90	-21.5	-174.8	0	0	0	0	0	113.9	L171 T172 K173	L171-A175 PolarHBondContact O-N 2.75Å; T172-A175 PolarHBondContact O-N 2.78Å; K173-A175 VanDerWaalsContact C-N 3.34Å
176	Y	93.4	Very high	96.5	Very high	111 Å²	111	76.4 Å²	76.4	44%	0.435	41%	0.41	S	S	.	.			trans	-129.1	136.6	-175.5	-61.5	-84	0	0	0	111.6	T172 V179 L187	T172-Y176 HydrophobicContact CG2-CD2 3.88Å; T172-Y176 HydrophobicContact CG2-CE2 4.24Å; T172-Y176 WeakPolarHBondContact O-CD2 3.24Å; T172-Y176 PolarHBondContact O-N 3.07Å; T172-Y176 VanDerWaalsContact O-N 3.17Å; Y176-V179 HydrophobicContact CG-CG1 4.41Å; Y176-L187 HydrophobicContact CD2-CD1 4.42Å; Y176-L187 HydrophobicContact CE2-CD1 4.46Å
177	V	91.1	Very high	96.5	Very high	126 Å²	126	74.7 Å²	74.7	76%	0.764	40%	0.403	S	S	*	.	S	Bend	trans	-93.6	149.8	173.5	-176.8	0	0	0	0	109.3	V179	V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 3.33Å
178	N	91.7	Very high	96.5	Very high	162 Å²	162	71.9 Å²	71.9	87%	0.866	39%	0.391	S	S	*	.	S	Bend	trans	58.5	31.3	175.9	-63.3	-12	0	0	0	116.1
179	V	94.3	Very high	96.5	Very high	43 Å²	43	74.6 Å²	74.6	26%	0.261	40%	0.404	S	S	.	.			trans	-93.3	136.2	175	-71.4	0	0	0	0	112.2	Y176 V177 Q183 V184 L187	Y176-V179 HydrophobicContact CG-CG1 4.41Å; V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 3.33Å; V179-Q183 HydrophobicContact CB-CB 4.42Å; V179-V184 HydrophobicContact CB-CG2 4.11Å; V179-V184 HydrophobicContact CG2-CG2 3.52Å; V179-L187 HydrophobicContact CG1-CD1 4.49Å
180	T	96.8	Very high	96.4	Very high	76 Å²	76	79.9 Å²	79.9	47%	0.466	42%	0.422	S	S	.	.			trans	-73.9	163.1	174.3	71.5	0	0	0	0	111.6	A182 Q183 V184	T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.09Å; T180-Q183 PolarHBondContact O-N 2.98Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.23Å; T180-Q183 PolarHBondContact OG1-N 2.59Å; T180-Q183 PolarHBondContact OG1-OE1 3.05Å; T180-V184 WeakPolarHBondContact O-CG2 3.47Å; T180-V184 PolarHBondContact O-N 2.99Å
181	A	96.1	Very high	96.5	Very high	83 Å²	83	80.6 Å²	80.6	69%	0.686	42%	0.421	S	S	*	.	H	α-helix	trans	-58.8	-38.5	177.2	0	0	0	0	0	112.9	V184 E185	A181-V184 PolarHBondContact O-N 3.31Å; A181-E185 PolarHBondContact O-N 3.08Å; A181-E185 VanDerWaalsContact O-N 3.1Å
182	A	97.1	Very high	96.5	Very high	69 Å²	69	78.8 Å²	78.8	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-66.8	-41.9	177.1	0	0	0	0	0	111.9	T180 V184 E185 V186	T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.09Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.26Å; A182-E185 PolarHBondContact O-N 3.21Å; A182-V186 WeakPolarHBondContact O-CG2 3.45Å; A182-V186 PolarHBondContact O-N 2.88Å; A182-V186 VanDerWaalsContact O-N 3.14Å
183	Q	97.5	Very high	96.6	Very high	94 Å²	94	81.4 Å²	81.4	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-40.7	174.7	-72.4	170	-27.9	0	0	111.5	V179 T180 E185 V186 L187	V179-Q183 HydrophobicContact CB-CB 4.42Å; T180-Q183 PolarHBondContact O-N 2.98Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.23Å; T180-Q183 PolarHBondContact OG1-N 2.59Å; T180-Q183 PolarHBondContact OG1-OE1 3.05Å; Q183-E185 VanDerWaalsContact C-N 3.35Å; Q183-E185 PolarHBondContact O-N 3.46Å; Q183-V186 PolarHBondContact O-N 2.93Å; Q183-L187 VanDerWaalsContact O-CB 3.3Å; Q183-L187 WeakPolarHBondContact O-CB 3.33Å; Q183-L187 VanDerWaalsContact O-CG 3.23Å; Q183-L187 WeakPolarHBondContact O-CG 3.1Å; Q183-L187 PolarHBondContact O-N 3.29Å
184	V	98.3	Very high	96.7	Very high	4 Å²	4	82.4 Å²	82.4	2%	0.024	43%	0.428	C	S	.	.	H	α-helix	trans	-59.4	-44.4	175.8	168	0	0	0	0	111.6	K169 T172 K173 V179 T180 A181 A182 A188	K169-V184 HydrophobicContact CB-CG1 3.81Å; K169-V184 HydrophobicContact CD-CG1 4.32Å; K169-V184 HydrophobicContact CG-CG1 3.92Å; T172-V184 HydrophobicContact CG2-CG1 4.33Å; T172-V184 HydrophobicContact CG2-CG2 4.45Å; K173-V184 HydrophobicContact CG-CG1 3.91Å; K173-V184 HydrophobicContact CG-CG2 3.8Å; V179-V184 HydrophobicContact CB-CG2 4.11Å; V179-V184 HydrophobicContact CG2-CG2 3.52Å; T180-V184 WeakPolarHBondContact O-CG2 3.47Å; T180-V184 PolarHBondContact O-N 2.99Å; A181-V184 PolarHBondContact O-N 3.31Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.26Å; V184-A188 WeakPolarHBondContact O-CB 3.31Å; V184-A188 PolarHBondContact O-N 2.83Å
185	E	97.9	Very high	96.9	Very high	61 Å²	61	75.1 Å²	75.1	29%	0.285	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-53.4	177.6	-173.5	77.9	-157.4	0	0	110.7	W154 K169 A181 A182 Q183 L187 A188 Q189	W154-E185 VanDerWaalsContact CZ2-OE1 3.27Å; W154-E185 WeakPolarHBondContact CZ2-OE1 3.36Å; W154-E185 PolarHBondContact NE1-OE1 3.45Å; K169-E185 WeakPolarHBondContact CD-OE2 3.5Å; K169-E185 WeakPolarHBondContact CE-OE2 3.34Å; K169-E185 IonicContact NZ-OE2 2.71Å; K169-E185 PolarHBondContact NZ-OE2 3.45Å; A181-E185 PolarHBondContact O-N 3.08Å; A181-E185 VanDerWaalsContact O-N 3.1Å; A182-E185 PolarHBondContact O-N 3.21Å; Q183-E185 VanDerWaalsContact C-N 3.35Å; Q183-E185 PolarHBondContact O-N 3.46Å; E185-L187 PolarHBondContact O-N 3.15Å; E185-A188 PolarHBondContact O-N 2.85Å; E185-Q189 WeakPolarHBondContact O-CB 3.07Å; E185-Q189 PolarHBondContact O-N 3Å
186	V	98.1	Very high	97.1	Very high	65 Å²	65	72.3 Å²	72.3	39%	0.394	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-44.5	-178.3	173.8	0	0	0	0	111.8	A182 Q183 R190	A182-V186 WeakPolarHBondContact O-CG2 3.45Å; A182-V186 PolarHBondContact O-N 2.88Å; A182-V186 VanDerWaalsContact O-N 3.14Å; Q183-V186 PolarHBondContact O-N 2.93Å; V186-R190 WeakPolarHBondContact O-CB 3.32Å; V186-R190 VanDerWaalsContact O-CG 3.31Å; V186-R190 WeakPolarHBondContact O-CG 3.28Å; V186-R190 PolarHBondContact O-N 2.94Å
187	L	98.1	Very high	97.3	Very high	58 Å²	58	71 Å²	71	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-42.4	179.3	-71.5	171.2	0	0	0	111.8	T172 Y176 V179 Q183 E185 R191	T172-L187 HydrophobicContact CG2-CB 3.78Å; T172-L187 HydrophobicContact CG2-CD1 4.29Å; Y176-L187 HydrophobicContact CD2-CD1 4.42Å; Y176-L187 HydrophobicContact CE2-CD1 4.46Å; V179-L187 HydrophobicContact CG1-CD1 4.49Å; Q183-L187 VanDerWaalsContact O-CB 3.3Å; Q183-L187 WeakPolarHBondContact O-CB 3.33Å; Q183-L187 VanDerWaalsContact O-CG 3.23Å; Q183-L187 WeakPolarHBondContact O-CG 3.1Å; Q183-L187 PolarHBondContact O-N 3.29Å; E185-L187 PolarHBondContact O-N 3.15Å; L187-R191 VanDerWaalsContact O-CB 3.3Å; L187-R191 WeakPolarHBondContact O-CB 3.32Å; L187-R191 PolarHBondContact O-N 3.16Å
188	A	98.6	Very high	97.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-45.1	177.3	0	0	0	0	0	111.6	W154 K169 V184 E185 F192	W154-A188 HydrophobicContact CH2-CB 3.85Å; W154-A188 HydrophobicContact CZ3-CB 4.3Å; K169-A188 HydrophobicContact CB-CB 4.5Å; K169-A188 HydrophobicContact CG-CB 3.74Å; V184-A188 WeakPolarHBondContact O-CB 3.31Å; V184-A188 PolarHBondContact O-N 2.83Å; E185-A188 PolarHBondContact O-N 2.85Å; A188-F192 VanDerWaalsContact O-CB 3.23Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 2.78Å
189	Q	98.7	Very high	98	Very high	57 Å²	57	60 Å²	60	27%	0.266	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-57.4	175.4	172.9	172.9	4.7	0	0	111.1	W154 E185 R191 F192 E193	W154-Q189 HydrophobicContact CB-CB 4.47Å; W154-Q189 HydrophobicContact CB-CG 3.73Å; W154-Q189 HydrophobicContact CD2-CB 3.84Å; W154-Q189 HydrophobicContact CD2-CG 4.1Å; W154-Q189 HydrophobicContact CE3-CB 4.14Å; W154-Q189 HydrophobicContact CG-CB 4.01Å; W154-Q189 HydrophobicContact CG-CG 3.74Å; E185-Q189 WeakPolarHBondContact O-CB 3.07Å; E185-Q189 PolarHBondContact O-N 3Å; Q189-R191 VanDerWaalsContact C-N 3.29Å; Q189-R191 PolarHBondContact O-N 3.28Å; Q189-F192 PolarHBondContact O-N 2.96Å; Q189-E193 HydrophobicContact CG-CG 4.4Å; Q189-E193 WeakPolarHBondContact O-CG 3.26Å; Q189-E193 PolarHBondContact O-N 3.2Å
190	R	98.4	Very high	98.2	Very high	174 Å²	174	58.1 Å²	58.1	66%	0.657	30%	0.3	S	S	*	.	H	α-helix	trans	-55.7	-44.3	-178.3	-75	177.4	178.2	-177	0.4	112.1	V186 K194	V186-R190 WeakPolarHBondContact O-CB 3.32Å; V186-R190 VanDerWaalsContact O-CG 3.31Å; V186-R190 WeakPolarHBondContact O-CG 3.28Å; V186-R190 PolarHBondContact O-N 2.94Å; R190-K194 WeakPolarHBondContact O-CB 3.44Å; R190-K194 PolarHBondContact O-N 3.18Å; R190-K194 VanDerWaalsContact O-N 3.09Å
191	R	98.4	Very high	98.3	Very high	97 Å²	97	56.7 Å²	56.7	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-178.9	-170.4	176.2	174.8	171.5	-2.2	111.9	Q115 L187 Q189 S195	Q115-R191 HydrophobicContact CB-CG 3.7Å; Q115-R191 HydrophobicContact CG-CG 3.97Å; Q115-R191 PolarHBondContact O-NH2 3.21Å; L187-R191 VanDerWaalsContact O-CB 3.3Å; L187-R191 WeakPolarHBondContact O-CB 3.32Å; L187-R191 PolarHBondContact O-N 3.16Å; Q189-R191 VanDerWaalsContact C-N 3.29Å; Q189-R191 PolarHBondContact O-N 3.28Å; R191-S195 VanDerWaalsContact O-CB 3.32Å; R191-S195 WeakPolarHBondContact O-CB 3.39Å; R191-S195 PolarHBondContact O-N 2.83Å; R191-S195 VanDerWaalsContact O-N 3.16Å; R191-S195 PolarHBondContact O-OG 2.88Å
192	F	98.9	Very high	98.5	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-55.2	176.3	174.8	-95.3	0	0	0	111.1	L113 P114 W150 R151 W154 N157 A188 Q189 K194 S195 A196	L113-F192 HydrophobicContact CD2-CD2 4.07Å; L113-F192 HydrophobicContact CD2-CE2 4.21Å; P114-F192 HydrophobicContact CG-CD2 3.97Å; P114-F192 HydrophobicContact CG-CE2 3.88Å; W150-F192 HydrophobicContact CB-CZ 4.19Å; W150-F192 HydrophobicContact CE3-CZ 4.4Å; W150-F192 HydrophobicContact CG-CZ 4.5Å; R151-F192 WeakPolarHBondContact O-CE1 3.42Å; R151-F192 WeakPolarHBondContact O-CZ 3.43Å; W154-F192 HydrophobicContact CE3-CB 4.04Å; W154-F192 AromaticContact CE3-CD1 3.97Å; W154-F192 HydrophobicContact CE3-CD1 3.97Å; W154-F192 HydrophobicContact CE3-CG 4.12Å; W154-F192 HydrophobicContact CZ3-CB 4.05Å; W154-F192 HydrophobicContact CZ3-CG 4.35Å; N157-F192 WeakPolarHBondContact ND2-CE1 3.45Å; A188-F192 VanDerWaalsContact O-CB 3.23Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 2.78Å; Q189-F192 PolarHBondContact O-N 2.96Å; F192-K194 PolarHBondContact O-N 3.44Å; F192-S195 PolarHBondContact O-N 2.74Å; F192-S195 VanDerWaalsContact O-N 3.17Å; F192-A196 HydrophobicContact CE1-CB 4.4Å; F192-A196 HydrophobicContact CZ-CB 4.49Å; F192-A196 VanDerWaalsContact O-CB 3.27Å; F192-A196 WeakPolarHBondContact O-CB 3.36Å; F192-A196 PolarHBondContact O-N 3.03Å
193	E	98.8	Very high	98.6	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-41.4	-175	-65	-175.8	146.3	0	0	112	W154 Q189 S195 A196 K197	W154-E193 HydrophobicContact CB-CG 4.04Å; W154-E193 WeakPolarHBondContact CB-OE1 3.23Å; W154-E193 PolarHBondContact N-OE1 2.85Å; Q189-E193 HydrophobicContact CG-CG 4.4Å; Q189-E193 WeakPolarHBondContact O-CG 3.26Å; Q189-E193 PolarHBondContact O-N 3.2Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 2.93Å; E193-A196 PolarHBondContact O-N 3.04Å; E193-K197 VanDerWaalsContact O-CB 3.3Å; E193-K197 WeakPolarHBondContact O-CB 3.47Å; E193-K197 PolarHBondContact O-N 3.49Å
194	K	98.8	Very high	98.6	Very high	156 Å²	156	50.9 Å²	50.9	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-57.7	-45.5	174	-178.7	178.7	179.5	179.6	0	111.5	R190 F192 T198	R190-K194 WeakPolarHBondContact O-CB 3.44Å; R190-K194 PolarHBondContact O-N 3.18Å; R190-K194 VanDerWaalsContact O-N 3.09Å; F192-K194 PolarHBondContact O-N 3.44Å; K194-T198 WeakPolarHBondContact O-CB 3.3Å; K194-T198 PolarHBondContact O-N 3.02Å; K194-T198 VanDerWaalsContact O-N 3.09Å; K194-T198 PolarHBondContact O-OG1 3.02Å
195	S	98.8	Very high	98.6	Very high	25 Å²	25	53.3 Å²	53.3	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-74.4	-39.2	-177.1	-52.9	0	0	0	0	111.6	Q115 R191 F192 E193 T198 F199	Q115-S195 WeakPolarHBondContact CA-OG 3.48Å; Q115-S195 WeakPolarHBondContact CB-OG 3.43Å; R191-S195 VanDerWaalsContact O-CB 3.32Å; R191-S195 WeakPolarHBondContact O-CB 3.39Å; R191-S195 PolarHBondContact O-N 2.83Å; R191-S195 VanDerWaalsContact O-N 3.16Å; R191-S195 PolarHBondContact O-OG 2.88Å; F192-S195 PolarHBondContact O-N 2.74Å; F192-S195 VanDerWaalsContact O-N 3.17Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 2.93Å; S195-T198 PolarHBondContact O-N 3.01Å; S195-F199 WeakPolarHBondContact O-CB 3.37Å; S195-F199 PolarHBondContact O-N 3.43Å
196	A	98.8	Very high	98.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.8	0	0	0	0	0	111.6	P114 W150 P152 F192 E193 T198 F199 M200	P114-A196 HydrophobicContact CG-CB 3.99Å; W150-A196 HydrophobicContact CE3-CB 4.21Å; W150-A196 HydrophobicContact CH2-CB 4.2Å; W150-A196 HydrophobicContact CZ3-CB 3.68Å; P152-A196 HydrophobicContact CB-CB 4.17Å; F192-A196 HydrophobicContact CE1-CB 4.4Å; F192-A196 HydrophobicContact CZ-CB 4.49Å; F192-A196 VanDerWaalsContact O-CB 3.27Å; F192-A196 WeakPolarHBondContact O-CB 3.36Å; F192-A196 PolarHBondContact O-N 3.03Å; E193-A196 PolarHBondContact O-N 3.04Å; A196-T198 PolarHBondContact O-N 2.67Å; A196-F199 PolarHBondContact O-N 3.47Å; A196-M200 WeakPolarHBondContact O-CG 3.39Å; A196-M200 PolarHBondContact O-N 3.22Å
197	K	98.8	Very high	98.7	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-54.3	-53.2	171.9	170.4	171.2	178.2	179.1	0	110.9	E193 F199 M200 Q201 W251	E193-K197 VanDerWaalsContact O-CB 3.3Å; E193-K197 WeakPolarHBondContact O-CB 3.47Å; E193-K197 PolarHBondContact O-N 3.49Å; K197-F199 VanDerWaalsContact C-N 3.35Å; K197-F199 PolarHBondContact O-N 3.45Å; K197-M200 PolarHBondContact O-N 2.78Å; K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.27Å; K197-W251 HydrophobicContact CB-CD2 4.43Å; K197-W251 HydrophobicContact CB-CH2 4.17Å; K197-W251 HydrophobicContact CB-CZ2 3.95Å; K197-W251 HydrophobicContact CB-CZ3 4.46Å; K197-W251 HydrophobicContact CD-CD2 3.87Å; K197-W251 HydrophobicContact CD-CE3 4.46Å; K197-W251 HydrophobicContact CD-CG 3.87Å; K197-W251 HydrophobicContact CG-CD2 3.64Å; K197-W251 HydrophobicContact CG-CE3 3.78Å; K197-W251 HydrophobicContact CG-CG 4.18Å; K197-W251 HydrophobicContact CG-CH2 4.24Å; K197-W251 HydrophobicContact CG-CZ2 4.08Å; K197-W251 HydrophobicContact CG-CZ3 4.08Å
198	T	98.8	Very high	98.7	Very high	52 Å²	52	46.9 Å²	46.9	32%	0.319	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-44.3	-177.7	-53.8	0	0	0	0	111.5	L119 K194 S195 A196 R202	L119-T198 HydrophobicContact CD2-CG2 3.59Å; K194-T198 WeakPolarHBondContact O-CB 3.3Å; K194-T198 PolarHBondContact O-N 3.02Å; K194-T198 VanDerWaalsContact O-N 3.09Å; K194-T198 PolarHBondContact O-OG1 3.02Å; S195-T198 PolarHBondContact O-N 3.01Å; A196-T198 PolarHBondContact O-N 2.67Å; T198-R202 HydrophobicContact CG2-CG 3.97Å; T198-R202 VanDerWaalsContact O-CB 3.26Å; T198-R202 WeakPolarHBondContact O-CB 3.37Å; T198-R202 WeakPolarHBondContact O-CG 3.22Å; T198-R202 PolarHBondContact O-N 2.79Å
199	F	98.7	Very high	98.7	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-55.9	177.6	-109.7	-93.3	0	0	0	112.1	P100 P114 C117 L119 H122 W150 S195 A196 K197 Q201 T203	P100-F199 HydrophobicContact CG-CE1 4.35Å; P114-F199 HydrophobicContact CB-CB 4.45Å; P114-F199 HydrophobicContact CB-CD2 3.85Å; P114-F199 HydrophobicContact CB-CE2 4.44Å; P114-F199 HydrophobicContact CB-CG 4.25Å; P114-F199 VanDerWaalsContact O-CE2 3.28Å; P114-F199 WeakPolarHBondContact O-CE2 3.33Å; C117-F199 HydrophobicContact CB-CE2 4.03Å; C117-F199 HydrophobicContact CB-CZ 3.6Å; L119-F199 HydrophobicContact CB-CE2 4.22Å; L119-F199 HydrophobicContact CD1-CD1 4.25Å; L119-F199 HydrophobicContact CD1-CD2 3.95Å; L119-F199 HydrophobicContact CD1-CE1 4.35Å; L119-F199 HydrophobicContact CD1-CE2 4.03Å; L119-F199 HydrophobicContact CD1-CG 4.05Å; L119-F199 HydrophobicContact CD1-CZ 4.22Å; H122-F199 HydrophobicContact CB-CE1 3.62Å; H122-F199 HydrophobicContact CB-CZ 3.98Å; H122-F199 AromaticContact CD2-CE1 3.84Å; H122-F199 AromaticContact CG-CD1 3.97Å; H122-F199 AromaticContact CG-CE1 3.35Å; H122-F199 AromaticContact ND1-CE1 3.55Å; W150-F199 HydrophobicContact CH2-CB 4.39Å; S195-F199 WeakPolarHBondContact O-CB 3.37Å; S195-F199 PolarHBondContact O-N 3.43Å; A196-F199 PolarHBondContact O-N 3.47Å; K197-F199 VanDerWaalsContact C-N 3.35Å; K197-F199 PolarHBondContact O-N 3.45Å; F199-Q201 PolarHBondContact O-N 3.38Å; F199-T203 WeakPolarHBondContact O-CB 3.37Å; F199-T203 PolarHBondContact O-N 3.43Å; F199-T203 VanDerWaalsContact O-N 3.16Å; F199-T203 PolarHBondContact O-OG1 3.05Å
200	M	98.8	Very high	98.7	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-45.5	-178.2	-68.1	-179.6	73.7	0	0	111.4	W147 W150 P152 A196 K197 T203 I204 F218 W251 L252	W147-M200 HydrophobicContact CE3-CG 4.32Å; W147-M200 HydrophobicContact CZ3-CG 4.3Å; W150-M200 HydrophobicContact CH2-CG 3.89Å; W150-M200 HydrophobicContact CH2-SD 4.32Å; W150-M200 HydrophobicContact CZ3-CG 3.97Å; W150-M200 HydrophobicContact CZ3-SD 3.79Å; P152-M200 HydrophobicContact CB-SD 3.76Å; P152-M200 HydrophobicContact CG-CE 4.48Å; P152-M200 HydrophobicContact CG-SD 3.75Å; A196-M200 WeakPolarHBondContact O-CG 3.39Å; A196-M200 PolarHBondContact O-N 3.22Å; K197-M200 PolarHBondContact O-N 2.78Å; M200-T203 PolarHBondContact O-N 3.34Å; M200-I204 WeakPolarHBondContact O-CG2 3.02Å; M200-I204 PolarHBondContact O-N 3.2Å; M200-I204 VanDerWaalsContact O-N 3.11Å; M200-F218 HydrophobicContact CB-CE1 4.4Å; M200-F218 HydrophobicContact CB-CE2 4.41Å; M200-F218 HydrophobicContact CB-CZ 3.84Å; M200-F218 HydrophobicContact CE-CD1 3.59Å; M200-F218 HydrophobicContact CE-CD2 4.06Å; M200-F218 HydrophobicContact CE-CE1 3.58Å; M200-F218 HydrophobicContact CE-CE2 4.05Å; M200-F218 HydrophobicContact CE-CG 3.84Å; M200-F218 HydrophobicContact CE-CZ 3.81Å; M200-F218 HydrophobicContact CG-CE1 4.24Å; M200-F218 HydrophobicContact CG-CZ 4.18Å; M200-W251 HydrophobicContact CB-CH2 3.95Å; M200-W251 HydrophobicContact CB-CZ3 4.04Å; M200-W251 HydrophobicContact SD-CH2 4.23Å; M200-L252 HydrophobicContact CE-CD1 4.13Å; M200-L252 HydrophobicContact CE-CD2 4.04Å
201	Q	98.8	Very high	98.7	Very high	46 Å²	46	45.4 Å²	45.4	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-47	-177.3	-174.4	167.7	23	0	0	112.2	K197 F199 T203 I204 Q205 W251 S255	K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.27Å; F199-Q201 PolarHBondContact O-N 3.38Å; Q201-T203 VanDerWaalsContact C-N 3.31Å; Q201-T203 PolarHBondContact O-N 3.26Å; Q201-I204 WeakPolarHBondContact O-CG2 3.31Å; Q201-Q205 HydrophobicContact CG-CG 4.48Å; Q201-Q205 VanDerWaalsContact O-CB 3.3Å; Q201-Q205 WeakPolarHBondContact O-CB 3.42Å; Q201-Q205 WeakPolarHBondContact O-CG 3.35Å; Q201-Q205 PolarHBondContact O-N 2.85Å; Q201-W251 HydrophobicContact CB-CE3 3.96Å; Q201-W251 HydrophobicContact CB-CZ3 3.92Å; Q201-W251 HydrophobicContact CG-CE3 4.43Å; Q201-S255 PolarHBondContact NE2-OG 3.01Å
202	R	98.8	Very high	98.6	Very high	123 Å²	123	44.8 Å²	44.8	46%	0.464	21%	0.21	S	C	.	.	H	α-helix	trans	-70.1	-31.1	-178.2	-64.4	-69.4	-105.1	175.1	-4.6	112.1	L119 L123 T198 L206	L119-R202 HydrophobicContact CD1-CB 4.48Å; L119-R202 HydrophobicContact CD2-CG 4.34Å; L123-R202 HydrophobicContact CD1-CB 4.14Å; L123-R202 HydrophobicContact CD2-CB 4.03Å; T198-R202 HydrophobicContact CG2-CG 3.97Å; T198-R202 VanDerWaalsContact O-CB 3.26Å; T198-R202 WeakPolarHBondContact O-CB 3.37Å; T198-R202 WeakPolarHBondContact O-CG 3.22Å; T198-R202 PolarHBondContact O-N 2.79Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 PolarHBondContact O-N 3.3Å
203	T	98.9	Very high	98.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-50.8	175.6	-54	0	0	0	0	111.6	L96 H122 W147 F199 M200 Q201 Q205 L206 G207	L96-T203 HydrophobicContact CD2-CG2 3.73Å; L96-T203 HydrophobicContact CG-CG2 3.99Å; H122-T203 PolarHBondContact NE2-OG1 2.91Å; W147-T203 HydrophobicContact CH2-CG2 3.71Å; W147-T203 WeakPolarHBondContact CH2-OG1 3.35Å; W147-T203 HydrophobicContact CZ2-CG2 4.08Å; F199-T203 WeakPolarHBondContact O-CB 3.37Å; F199-T203 PolarHBondContact O-N 3.43Å; F199-T203 VanDerWaalsContact O-N 3.16Å; F199-T203 PolarHBondContact O-OG1 3.05Å; M200-T203 PolarHBondContact O-N 3.34Å; Q201-T203 VanDerWaalsContact C-N 3.31Å; Q201-T203 PolarHBondContact O-N 3.26Å; T203-Q205 VanDerWaalsContact C-N 3.32Å; T203-Q205 PolarHBondContact O-N 3.34Å; T203-L206 WeakPolarHBondContact O-CB 3.2Å; T203-L206 PolarHBondContact O-N 3.38Å; T203-L206 VanDerWaalsContact O-N 3.14Å; T203-G207 PolarHBondContact O-N 3.32Å
204	I	98.7	Very high	98.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-35.6	179.9	-163.5	167.4	0	0	0	111.4	I145 M200 Q201 L206 G207 T208 W216 F218	I145-I204 HydrophobicContact CD1-CB 4.35Å; I145-I204 HydrophobicContact CD1-CG1 4.44Å; M200-I204 WeakPolarHBondContact O-CG2 3.02Å; M200-I204 PolarHBondContact O-N 3.2Å; M200-I204 VanDerWaalsContact O-N 3.11Å; Q201-I204 WeakPolarHBondContact O-CG2 3.31Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.27Å; I204-G207 PolarHBondContact O-N 3.25Å; I204-T208 WeakPolarHBondContact O-CG2 3.35Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 PolarHBondContact O-OG1 3.47Å; I204-W216 HydrophobicContact CD1-CB 4.04Å; I204-W216 HydrophobicContact CG1-CB 3.86Å; I204-F218 HydrophobicContact CB-CE2 4.07Å; I204-F218 HydrophobicContact CB-CZ 4.49Å; I204-F218 HydrophobicContact CD1-CD2 4.18Å; I204-F218 HydrophobicContact CD1-CE2 3.85Å; I204-F218 HydrophobicContact CG1-CE2 4.49Å; I204-F218 HydrophobicContact CG2-CE2 4.42Å
205	Q	98.7	Very high	98.5	Very high	55 Å²	55	38.8 Å²	38.8	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-64.5	-30.5	172.2	-75.8	174.4	-10.5	0	0	113.6	Q201 T203 T208 R209	Q201-Q205 HydrophobicContact CG-CG 4.48Å; Q201-Q205 VanDerWaalsContact O-CB 3.3Å; Q201-Q205 WeakPolarHBondContact O-CB 3.42Å; Q201-Q205 WeakPolarHBondContact O-CG 3.35Å; Q201-Q205 PolarHBondContact O-N 2.85Å; T203-Q205 VanDerWaalsContact C-N 3.32Å; T203-Q205 PolarHBondContact O-N 3.34Å; Q205-T208 WeakPolarHBondContact CA-OG1 3.12Å; Q205-T208 PolarHBondContact O-OG1 3.45Å; Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.38Å; Q205-R209 PolarHBondContact O-N 3.11Å; Q205-R209 PolarHBondContact O-NE 2.79Å
206	L	98.9	Very high	98.5	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-47.3	171.1	178.8	63.9	0	0	0	110	L123 A126 I130 R202 T203 I204 T208 R209 L210	L123-L206 HydrophobicContact CB-CD2 4.43Å; L123-L206 HydrophobicContact CD2-CB 4.47Å; L123-L206 HydrophobicContact CD2-CD2 4.19Å; L123-L206 VanDerWaalsContact O-CD2 3.31Å; L123-L206 WeakPolarHBondContact O-CD2 3.46Å; A126-L206 HydrophobicContact CB-CD2 3.95Å; I130-L206 HydrophobicContact CD1-CD2 4.24Å; I130-L206 HydrophobicContact CD1-CG 4.12Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 PolarHBondContact O-N 3.3Å; T203-L206 WeakPolarHBondContact O-CB 3.2Å; T203-L206 PolarHBondContact O-N 3.38Å; T203-L206 VanDerWaalsContact O-N 3.14Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.27Å; L206-T208 PolarHBondContact O-N 3.49Å; L206-R209 PolarHBondContact O-N 3.04Å; L206-L210 HydrophobicContact CD1-CD1 3.91Å; L206-L210 HydrophobicContact CD1-CG 4.11Å; L206-L210 HydrophobicContact CG-CD1 3.94Å; L206-L210 HydrophobicContact CG-CG 4.46Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 3.38Å
207	G	98.6	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-50	175.6	0	0	0	0	0	113	T203 I204 R209 L210 R211 W216	T203-G207 PolarHBondContact O-N 3.32Å; I204-G207 PolarHBondContact O-N 3.25Å; G207-R209 VanDerWaalsContact C-N 3.35Å; G207-R209 PolarHBondContact O-N 3.34Å; G207-L210 PolarHBondContact O-N 2.93Å; G207-R211 PolarHBondContact O-N 3.16Å; G207-W216 VanDerWaalsContact C-NE1 3.28Å; G207-W216 VanDerWaalsContact CA-CZ2 3.46Å; G207-W216 PolarHBondContact O-NE1 3.3Å; G207-W216 VanDerWaalsContact O-NE1 3.15Å
208	T	98.3	Very high	98.5	Very high	32 Å²	32	34 Å²	34	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-67.7	-31.5	-179.8	55.7	0	0	0	0	113.1	I204 Q205 L206 R211 P212 W216 T257	I204-T208 WeakPolarHBondContact O-CG2 3.35Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 PolarHBondContact O-OG1 3.47Å; Q205-T208 WeakPolarHBondContact CA-OG1 3.12Å; Q205-T208 PolarHBondContact O-OG1 3.45Å; L206-T208 PolarHBondContact O-N 3.49Å; T208-R211 CarbonylContact O-C 3.42Å; T208-P212 WeakPolarHBondContact O-CA 3.34Å; T208-W216 HydrophobicContact CG2-CB 4.04Å; T208-W216 HydrophobicContact CG2-CG 3.96Å; T208-T257 HydrophobicContact CG2-CG2 4.02Å
209	R	98.4	Very high	98.5	Very high	164 Å²	164	32.8 Å²	32.8	62%	0.619	15%	0.153	S	C	*	.	H	α-helix	trans	-70.1	-40.9	173.1	-78	-177.7	-65.7	150.3	-0.6	112.5	Q205 L206 G207	Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.38Å; Q205-R209 PolarHBondContact O-N 3.11Å; Q205-R209 PolarHBondContact O-NE 2.79Å; L206-R209 PolarHBondContact O-N 3.04Å; G207-R209 VanDerWaalsContact C-N 3.35Å; G207-R209 PolarHBondContact O-N 3.34Å
210	L	98.6	Very high	98.4	Very high	33 Å²	33	34 Å²	34	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-75.1	-35	-179.8	-65	176.2	0	0	0	112	Y127 I130 L206 G207	Y127-L210 HydrophobicContact CD2-CD1 3.68Å; Y127-L210 HydrophobicContact CD2-CD2 3.82Å; Y127-L210 HydrophobicContact CD2-CG 4.38Å; Y127-L210 HydrophobicContact CE2-CD1 4.23Å; Y127-L210 HydrophobicContact CE2-CD2 3.63Å; Y127-L210 HydrophobicContact CG-CD1 4.42Å; I130-L210 HydrophobicContact CB-CD1 4.04Å; I130-L210 HydrophobicContact CD1-CD1 4.02Å; I130-L210 HydrophobicContact CG2-CB 4.14Å; I130-L210 HydrophobicContact CG2-CD1 3.83Å; L206-L210 HydrophobicContact CD1-CD1 3.91Å; L206-L210 HydrophobicContact CD1-CG 4.11Å; L206-L210 HydrophobicContact CG-CD1 3.94Å; L206-L210 HydrophobicContact CG-CG 4.46Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 3.38Å; G207-L210 PolarHBondContact O-N 2.93Å
211	R	98.5	Very high	98.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.015	16%	0.163	C	C	.	.			trans	-132	73.5	-176.2	-54.3	-63.3	176.1	-104.3	9.8	109.4	I130 I134 P135 S136 G207 T208 N213 A214 W216	I130-R211 HydrophobicContact CG2-CG 4.13Å; I134-R211 HydrophobicContact CB-CG 4.44Å; I134-R211 HydrophobicContact CG2-CG 4.01Å; I134-R211 PolarHBondContact O-NE 3.07Å; I134-R211 PolarHBondContact O-NH2 2.86Å; P135-R211 PolarHBondContact O-NH2 3.29Å; S136-R211 WeakPolarHBondContact O-CD 3.33Å; S136-R211 PolarHBondContact O-NE 3.02Å; S136-R211 VanDerWaalsContact O-NE 3.07Å; G207-R211 PolarHBondContact O-N 3.16Å; T208-R211 CarbonylContact O-C 3.42Å; R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 3.17Å; R211-A214 HydrophobicContact CB-CB 3.93Å; R211-A214 WeakPolarHBondContact O-CB 3.16Å; R211-A214 PolarHBondContact O-N 2.88Å; R211-A214 VanDerWaalsContact O-N 3.16Å; R211-W216 HydrophobicContact CB-CZ2 4.13Å; R211-W216 HydrophobicContact CG-CZ2 4.24Å; R211-W216 PolarHBondContact O-NE1 3.38Å
212	P	97.4	Very high	98.3	Very high	84 Å²	84	32.8 Å²	32.8	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.3	-171.8	25.1	-34.7	0	0	0	114	T208 A214	T208-P212 WeakPolarHBondContact O-CA 3.34Å; P212-A214 VanDerWaalsContact C-N 3.35Å
213	N	96.6	Very high	98.3	Very high	78 Å²	78	27.4 Å²	27.4	42%	0.417	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.4	179.7	-62.6	-35	0	0	0	113.7	F139 R140 R211	F139-N213 CarbonylContact O-C 3.48Å; F139-N213 VanDerWaalsContact O-C 3.22Å; F139-N213 WeakPolarHBondContact O-CB 3.39Å; R140-N213 HydrophobicContact CG-CB 3.97Å; R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 3.17Å
214	A	98.1	Very high	98.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	13%	0.134	C	C	.	.	S	Bend	trans	-83.5	151.5	179	0	0	0	0	0	112.1	F139 A143 R211 P212 W216 T257	F139-A214 HydrophobicContact CD1-CB 3.56Å; F139-A214 HydrophobicContact CE1-CB 3.97Å; F139-A214 PolarHBondContact O-N 3.16Å; A143-A214 HydrophobicContact CB-CB 4.35Å; R211-A214 HydrophobicContact CB-CB 3.93Å; R211-A214 WeakPolarHBondContact O-CB 3.16Å; R211-A214 PolarHBondContact O-N 2.88Å; R211-A214 VanDerWaalsContact O-N 3.16Å; P212-A214 VanDerWaalsContact C-N 3.35Å; A214-W216 PolarHBondContact O-N 3.01Å; A214-T257 PolarHBondContact O-OG1 3.15Å
215	L	98.6	Very high	98	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.047	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	94.3	176.4	-63.9	-177.9	0	0	0	109.5	K39 L42 G141 L142 A143 T257 A258 P300 Y302	K39-L215 HydrophobicContact CD-CD2 4.46Å; L42-L215 HydrophobicContact CB-CD1 4.43Å; L42-L215 HydrophobicContact CD1-CD1 3.95Å; L42-L215 HydrophobicContact CD2-CD1 4.25Å; L42-L215 HydrophobicContact CG-CD1 4.44Å; G141-L215 PolarHBondContact O-N 3.12Å; L142-L215 HydrophobicContact CD2-CB 3.85Å; L142-L215 HydrophobicContact CD2-CD1 3.87Å; L142-L215 HydrophobicContact CD2-CG 4.43Å; A143-L215 PolarHBondContact N-O 3.47Å; L215-T257 WeakPolarHBondContact CA-OG1 3.39Å; L215-A258 HydrophobicContact CB-CB 3.83Å; L215-P300 HydrophobicContact CD1-CG 4.27Å; L215-P300 HydrophobicContact CD2-CG 4.16Å; L215-Y302 HydrophobicContact CD1-CE2 3.64Å; L215-Y302 WeakPolarHBondContact CD1-OH 3.48Å
216	W	98.8	Very high	97.9	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.8	-177.3	-71.1	94.4	0	0	0	112.4	F91 I130 I134 A143 I145 I204 G207 T208 R211 A214 T257 A258	F91-W216 HydrophobicContact CD2-CZ3 4.08Å; F91-W216 AromaticContact CE2-CH2 3.64Å; F91-W216 HydrophobicContact CE2-CH2 3.64Å; F91-W216 AromaticContact CE2-CZ3 3.63Å; F91-W216 HydrophobicContact CE2-CZ3 3.63Å; F91-W216 HydrophobicContact CZ-CH2 4.08Å; F91-W216 HydrophobicContact CZ-CZ3 4.43Å; I130-W216 HydrophobicContact CD1-CH2 4.39Å; I130-W216 HydrophobicContact CG1-CH2 4.06Å; I130-W216 HydrophobicContact CG2-CH2 4.25Å; I130-W216 HydrophobicContact CG2-CZ2 4.3Å; I134-W216 HydrophobicContact CD1-CH2 4.07Å; I134-W216 HydrophobicContact CD1-CZ2 4.09Å; A143-W216 HydrophobicContact CB-CD2 3.46Å; A143-W216 VanDerWaalsContact CB-CD2 3.46Å; A143-W216 HydrophobicContact CB-CE3 3.5Å; A143-W216 HydrophobicContact CB-CG 4.06Å; A143-W216 HydrophobicContact CB-CH2 3.85Å; A143-W216 HydrophobicContact CB-CZ2 3.83Å; A143-W216 HydrophobicContact CB-CZ3 3.71Å; A143-W216 WeakPolarHBondContact O-CA 3.14Å; I145-W216 HydrophobicContact CD1-CE3 4.21Å; I145-W216 HydrophobicContact CD1-CZ3 4.45Å; I145-W216 HydrophobicContact CG1-CE3 4.29Å; I145-W216 HydrophobicContact CG1-CZ3 4.36Å; I204-W216 HydrophobicContact CD1-CB 4.04Å; I204-W216 HydrophobicContact CG1-CB 3.86Å; G207-W216 VanDerWaalsContact C-NE1 3.28Å; G207-W216 VanDerWaalsContact CA-CZ2 3.46Å; G207-W216 PolarHBondContact O-NE1 3.3Å; G207-W216 VanDerWaalsContact O-NE1 3.15Å; T208-W216 HydrophobicContact CG2-CB 4.04Å; T208-W216 HydrophobicContact CG2-CG 3.96Å; R211-W216 HydrophobicContact CB-CZ2 4.13Å; R211-W216 HydrophobicContact CG-CZ2 4.24Å; R211-W216 PolarHBondContact O-NE1 3.38Å; A214-W216 PolarHBondContact O-N 3.01Å; W216-T257 PolarHBondContact N-OG1 2.75Å; W216-T257 PolarHBondContact O-N 3.36Å; W216-A258 PolarHBondContact O-N 3.37Å
217	G	98.8	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	172.1	176.8	0	0	0	0	0	111.7	A143 I145	A143-G217 PolarHBondContact O-N 2.91Å; I145-G217 PolarHBondContact N-O 3.48Å
218	F	98.8	Very high	97.2	Very high	6 Å²	6	31 Å²	31	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.5	-179.2	-69.5	-96.6	0	0	0	110.7	I145 W147 M200 I204 Y221 L252	I145-F218 HydrophobicContact CB-CD1 3.68Å; I145-F218 HydrophobicContact CB-CE1 3.8Å; I145-F218 HydrophobicContact CB-CG 4.25Å; I145-F218 HydrophobicContact CB-CZ 4.44Å; I145-F218 HydrophobicContact CD1-CE1 3.98Å; I145-F218 HydrophobicContact CD1-CE2 4.16Å; I145-F218 HydrophobicContact CD1-CZ 3.78Å; I145-F218 HydrophobicContact CG1-CE1 4.5Å; I145-F218 HydrophobicContact CG2-CD1 3.66Å; I145-F218 HydrophobicContact CG2-CE1 3.46Å; I145-F218 VanDerWaalsContact CG2-CE1 3.46Å; I145-F218 HydrophobicContact CG2-CZ 4.34Å; I145-F218 CarbonylContact O-C 3.54Å; I145-F218 WeakPolarHBondContact O-CA 3.33Å; W147-F218 HydrophobicContact CD2-CE1 4.28Å; W147-F218 AromaticContact CE3-CE1 3.81Å; W147-F218 HydrophobicContact CE3-CE1 3.81Å; W147-F218 HydrophobicContact CZ3-CE1 4.3Å; M200-F218 HydrophobicContact CB-CE1 4.4Å; M200-F218 HydrophobicContact CB-CE2 4.41Å; M200-F218 HydrophobicContact CB-CZ 3.84Å; M200-F218 HydrophobicContact CE-CD1 3.59Å; M200-F218 HydrophobicContact CE-CD2 4.06Å; M200-F218 HydrophobicContact CE-CE1 3.58Å; M200-F218 HydrophobicContact CE-CE2 4.05Å; M200-F218 HydrophobicContact CE-CG 3.84Å; M200-F218 HydrophobicContact CE-CZ 3.81Å; M200-F218 HydrophobicContact CG-CE1 4.24Å; M200-F218 HydrophobicContact CG-CZ 4.18Å; I204-F218 HydrophobicContact CB-CE2 4.07Å; I204-F218 HydrophobicContact CB-CZ 4.49Å; I204-F218 HydrophobicContact CD1-CD2 4.18Å; I204-F218 HydrophobicContact CD1-CE2 3.85Å; I204-F218 HydrophobicContact CG1-CE2 4.49Å; I204-F218 HydrophobicContact CG2-CE2 4.42Å; F218-Y221 HydrophobicContact CB-CD2 3.72Å; F218-Y221 HydrophobicContact CB-CE2 4.5Å; F218-Y221 HydrophobicContact CB-CG 4.28Å; F218-Y221 PolarHBondContact O-N 2.87Å; F218-L252 HydrophobicContact CD2-CD1 3.63Å; F218-L252 HydrophobicContact CD2-CG 4.5Å; F218-L252 HydrophobicContact CE2-CD1 3.52Å; F218-L252 HydrophobicContact CZ-CD1 4.48Å
219	Y	98.6	Very high	96.6	Very high	26 Å²	26	29.9 Å²	29.9	10%	0.102	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-57.8	145.2	170.8	169.6	-109.7	0	0	0	110.7	I145 D146 E148 Y221 S262 Y304	I145-Y219 PolarHBondContact O-N 3.04Å; D146-Y219 WeakPolarHBondContact OD1-CD1 3.29Å; E148-Y219 HydrophobicContact CG-CD1 4.28Å; E148-Y219 HydrophobicContact CG-CE1 4.43Å; Y219-Y221 VanDerWaalsContact O-CD2 3.31Å; Y219-Y221 WeakPolarHBondContact O-CD2 3.33Å; Y219-Y221 PolarHBondContact O-N 3.37Å; Y219-S262 PolarHBondContact OH-OG 3.15Å; Y219-Y304 AromaticContact CD2-CD1 3.77Å; Y219-Y304 HydrophobicContact CD2-CD1 3.77Å; Y219-Y304 AromaticContact CD2-CD2 3.87Å; Y219-Y304 HydrophobicContact CD2-CD2 3.87Å; Y219-Y304 HydrophobicContact CD2-CE1 4.12Å; Y219-Y304 HydrophobicContact CD2-CE2 4.21Å; Y219-Y304 AromaticContact CD2-CG 3.64Å; Y219-Y304 HydrophobicContact CD2-CG 3.64Å; Y219-Y304 AromaticContact CE2-CD1 3.69Å; Y219-Y304 HydrophobicContact CE2-CD1 3.69Å; Y219-Y304 HydrophobicContact CE2-CD2 4.37Å; Y219-Y304 HydrophobicContact CE2-CE1 4.39Å; Y219-Y304 AromaticContact CE2-CG 3.68Å; Y219-Y304 HydrophobicContact CE2-CG 3.68Å
220	L	96.5	Very high	95.9	Very high	32 Å²	32	28.4 Å²	28.4	17%	0.168	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-13	-172.8	-65.4	163.7	0	0	0	116.1	E148 P222 D223 F260	E148-L220 HydrophobicContact CG-CD1 4.1Å; E148-L220 WeakPolarHBondContact OE2-CD1 3.29Å; L220-P222 CarbonylContact O-C 3.49Å; L220-D223 PolarHBondContact O-N 3.26Å; L220-F260 PolarHBondContact N-O 3.13Å
221	Y	98.1	Very high	95.4	Very high	21 Å²	21	31 Å²	31	8%	0.082	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-97.2	133.1	-172.6	-75.7	-91.1	0	0	0	112.5	P152 F218 Y219 L249 L252 W253 F260	P152-Y221 WeakPolarHBondContact CD-OH 3.32Å; F218-Y221 HydrophobicContact CB-CD2 3.72Å; F218-Y221 HydrophobicContact CB-CE2 4.5Å; F218-Y221 HydrophobicContact CB-CG 4.28Å; F218-Y221 PolarHBondContact O-N 2.87Å; Y219-Y221 VanDerWaalsContact O-CD2 3.31Å; Y219-Y221 WeakPolarHBondContact O-CD2 3.33Å; Y219-Y221 PolarHBondContact O-N 3.37Å; Y221-L249 HydrophobicContact CD1-CD1 4.25Å; Y221-L249 HydrophobicContact CE1-CD1 4.02Å; Y221-L252 HydrophobicContact CD1-CD2 4.04Å; Y221-L252 HydrophobicContact CE1-CD2 4.4Å; Y221-L252 HydrophobicContact CG-CD2 4.39Å; Y221-W253 AromaticContact CD1-CH2 3.84Å; Y221-W253 HydrophobicContact CD1-CH2 3.84Å; Y221-W253 HydrophobicContact CD1-CZ3 4.19Å; Y221-W253 HydrophobicContact CG-CH2 4.49Å; Y221-W253 HydrophobicContact CG-CZ3 4.47Å; Y221-F260 CarbonylContact O-C 3.57Å; Y221-F260 PolarHBondContact O-N 2.99Å
222	P	98.3	Very high	94.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.013	20%	0.2	C	C	.	.	S	Bend	cis	-74.3	153.1	-6.2	32.2	-35	0	0	0	112.7	L220 W253 E285 I289	L220-P222 CarbonylContact O-C 3.49Å; P222-W253 HydrophobicContact CB-CH2 4Å; P222-W253 HydrophobicContact CB-CZ2 4.27Å; P222-E285 HydrophobicContact CG-CG 4.47Å; P222-I289 HydrophobicContact CB-CG1 4.16Å; P222-I289 HydrophobicContact CG-CB 4.12Å; P222-I289 HydrophobicContact CG-CG1 4.02Å; P222-I289 HydrophobicContact CG-CG2 4.37Å
223	D	97.4	Very high	94.2	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.053	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-101.5	126.9	172.7	-164.9	-6.7	0	0	0	109.9	L220 H225 Y227 N246 R282	L220-D223 PolarHBondContact O-N 3.26Å; D223-H225 PolarHBondContact OD1-N 3.21Å; D223-H225 IonicContact OD2-CE1 3.8Å; D223-H225 PolarHBondContact OD2-CE1 2.89Å; D223-H225 IonicContact OD2-ND1 3.82Å; D223-H225 IonicContact OD2-NE2 3.16Å; D223-Y227 VanDerWaalsContact CG-OH 3.32Å; D223-Y227 PolarHBondContact OD1-OH 3.42Å; D223-Y227 PolarHBondContact OD2-OH 3.05Å; D223-N246 PolarHBondContact O-ND2 3.22Å; D223-R282 IonicContact OD1-CZ 3.41Å; D223-R282 VanDerWaalsContact OD1-CZ 3.22Å; D223-R282 IonicContact OD1-NH1 2.67Å; D223-R282 PolarHBondContact OD1-NH1 3.01Å; D223-R282 IonicContact OD1-NH2 3.62Å; D223-R282 PolarHBondContact OD1-NH2 3.26Å
224	C	97.2	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	-78.7	-19.9	176.3	178.2	0	0	0	0	112.6	N226 C238 P239 R282	C224-N226 PolarHBondContact O-N 3.3Å; C224-C238 HydrophobicContact CB-CB 4.08Å; C224-C238 WeakPolarHBondContact CB-SG 3.25Å; C224-C238 WeakPolarHBondContact SG-CA 3.44Å; C224-C238 WeakPolarHBondContact SG-CB 3.22Å; C224-C238 CovalentContact SG-SG 2.02Å; C224-C238 PolarHBondContact SG-SG 3.33Å; C224-P239 WeakPolarHBondContact O-CD 3.49Å; C224-R282 HydrophobicContact CB-CB 4.39Å; C224-R282 HydrophobicContact CB-CG 3.61Å
225	H	95.6	Very high	93.8	Very high	19 Å²	19	44 Å²	44	9%	0.088	22%	0.217	C	C	.	.			trans	55.4	20.5	-177.9	-76.1	-75.2	0	0	0	116.1	D223 Y227 E242	D223-H225 PolarHBondContact OD1-N 3.21Å; D223-H225 IonicContact OD2-CE1 3.8Å; D223-H225 PolarHBondContact OD2-CE1 2.89Å; D223-H225 IonicContact OD2-ND1 3.82Å; D223-H225 IonicContact OD2-NE2 3.16Å; H225-Y227 AromaticContact ND1-CE2 3.72Å; H225-Y227 PolarHBondContact O-N 3.07Å; H225-E242 HydrophobicContact CB-CB 4.21Å; H225-E242 HydrophobicContact CB-CG 3.71Å; H225-E242 IonicContact CD2-OE2 3.8Å; H225-E242 PolarHBondContact CD2-OE2 3.44Å; H225-E242 IonicContact CG-OE2 3.63Å; H225-E242 IonicContact NE2-OE2 2.7Å
226	N	96.5	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.			trans	-75.8	52.2	174.2	61.9	-21.4	0	0	0	113.3	C224 Y234 G236 F278 R282	C224-N226 PolarHBondContact O-N 3.3Å; N226-Y234 PolarHBondContact O-OH 3.19Å; N226-G236 VanDerWaalsContact CB-O 3.26Å; N226-G236 WeakPolarHBondContact CB-O 3.43Å; N226-G236 PolarHBondContact ND2-O 3.02Å; N226-F278 PolarHBondContact ND2-O 3.3Å; N226-F278 VanDerWaalsContact ND2-O 3.13Å; N226-F278 WeakPolarHBondContact O-CD2 3.47Å; N226-R282 WeakPolarHBondContact OD1-CD 3.47Å; N226-R282 WeakPolarHBondContact OD1-CG 3.16Å; N226-R282 PolarHBondContact OD1-NH1 2.86Å; N226-R282 VanDerWaalsContact OD1-NH1 3.07Å
227	Y	92.9	Very high	93.6	Very high	63 Å²	63	48.7 Å²	48.7	25%	0.247	24%	0.242	C	C	.	.			trans	-89.8	-0.8	-173.8	-62	-55	0	0	0	114.9	D223 H225 L229 F278 R282	D223-Y227 VanDerWaalsContact CG-OH 3.32Å; D223-Y227 PolarHBondContact OD1-OH 3.42Å; D223-Y227 PolarHBondContact OD2-OH 3.05Å; H225-Y227 AromaticContact ND1-CE2 3.72Å; H225-Y227 PolarHBondContact O-N 3.07Å; Y227-L229 PolarHBondContact O-N 3.03Å; Y227-F278 AromaticContact CD1-CE2 3.82Å; Y227-F278 HydrophobicContact CD1-CE2 3.82Å; Y227-F278 HydrophobicContact CD1-CZ 4.32Å; Y227-F278 AromaticContact CE1-CE2 3.93Å; Y227-F278 HydrophobicContact CE1-CE2 3.93Å; Y227-F278 HydrophobicContact CE1-CZ 4.06Å; Y227-R282 PolarHBondContact OH-NH2 2.81Å
228	N	89.8	Confident	93.5	Very high	66 Å²	66	49.3 Å²	49.3	35%	0.353	25%	0.247	S	C	.	.			trans	-76.9	42.8	-178	59.1	-49.5	0	0	0	113.1	H230 D231 Y234	N228-H230 PolarHBondContact O-N 3.09Å; N228-D231 WeakPolarHBondContact CB-OD2 3.37Å; N228-D231 PolarHBondContact ND2-OD2 2.98Å; N228-D231 WeakPolarHBondContact O-CB 3.47Å; N228-D231 VanDerWaalsContact O-CG 3.31Å; N228-D231 PolarHBondContact O-N 3.14Å; N228-D231 VanDerWaalsContact O-N 3.11Å; N228-Y234 WeakPolarHBondContact O-CD2 3.4Å
229	L	85.2	Confident	93.4	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.9	-178.3	-74.2	157.3	0	0	0	114.3	Y227 D231 Y234 R266 H269 F278	Y227-L229 PolarHBondContact O-N 3.03Å; L229-D231 VanDerWaalsContact C-N 3.34Å; L229-Y234 HydrophobicContact CD2-CD1 4.13Å; L229-Y234 HydrophobicContact CD2-CE1 3.51Å; L229-Y234 HydrophobicContact CD2-CE2 4.24Å; L229-Y234 HydrophobicContact CG-CE1 4.44Å; L229-Y234 HydrophobicContact CG-CE2 4.33Å; L229-R266 HydrophobicContact CD1-CG 4.47Å; L229-H269 PolarHBondContact O-NE2 2.85Å; L229-F278 HydrophobicContact CD2-CB 4.23Å; L229-F278 HydrophobicContact CD2-CD2 4.49Å
230	H	84.1	Confident	93.2	Very high	132 Å²	132	56.6 Å²	56.6	61%	0.611	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.9	-178.7	-57.6	-64.1	0	0	0	113.3	N228	N228-H230 PolarHBondContact O-N 3.09Å
231	D	88	Confident	93.2	Very high	87 Å²	87	58.7 Å²	58.7	47%	0.465	31%	0.305	S	S	.	.	S	Bend	trans	-69.9	135.8	-179.3	-64.3	-3.1	0	0	0	110.4	N228 L229 N233 Y234	N228-D231 WeakPolarHBondContact CB-OD2 3.37Å; N228-D231 PolarHBondContact ND2-OD2 2.98Å; N228-D231 WeakPolarHBondContact O-CB 3.47Å; N228-D231 VanDerWaalsContact O-CG 3.31Å; N228-D231 PolarHBondContact O-N 3.14Å; N228-D231 VanDerWaalsContact O-N 3.11Å; L229-D231 VanDerWaalsContact C-N 3.34Å; D231-N233 PolarHBondContact O-N 2.82Å; D231-Y234 WeakPolarHBondContact O-CB 3.2Å; D231-Y234 PolarHBondContact O-N 2.97Å
232	Q	82	Confident	93.2	Very high	198 Å²	198	58.6 Å²	58.6	93%	0.925	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.1	-177.7	-70.8	-178.7	-13.9	0	0	113.1
233	N	87.8	Confident	93.2	Very high	150 Å²	150	60.9 Å²	60.9	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	44.7	178.4	-67	-22.4	0	0	0	111.6	D231 T235	D231-N233 PolarHBondContact O-N 2.82Å; N233-T235 PolarHBondContact O-N 2.85Å
234	Y	93.8	Very high	93.2	Very high	17 Å²	17	66.3 Å²	66.3	7%	0.067	34%	0.343	C	S	.	.			trans	-64.7	108.1	-178.6	178.2	-101.8	0	0	0	112.3	N226 N228 L229 D231 G236 S274 H277 F278	N226-Y234 PolarHBondContact O-OH 3.19Å; N228-Y234 WeakPolarHBondContact O-CD2 3.4Å; L229-Y234 HydrophobicContact CD2-CD1 4.13Å; L229-Y234 HydrophobicContact CD2-CE1 3.51Å; L229-Y234 HydrophobicContact CD2-CE2 4.24Å; L229-Y234 HydrophobicContact CG-CE1 4.44Å; L229-Y234 HydrophobicContact CG-CE2 4.33Å; D231-Y234 WeakPolarHBondContact O-CB 3.2Å; D231-Y234 PolarHBondContact O-N 2.97Å; Y234-G236 WeakPolarHBondContact OH-CA 3.46Å; Y234-S274 WeakPolarHBondContact CE1-O 3.42Å; Y234-H277 HydrophobicContact CD1-CB 4.32Å; Y234-H277 HydrophobicContact CE1-CB 3.9Å; Y234-F278 HydrophobicContact CE1-CB 4.46Å; Y234-F278 WeakPolarHBondContact OH-CA 3.27Å; Y234-F278 WeakPolarHBondContact OH-CB 3.2Å; Y234-F278 WeakPolarHBondContact OH-CD2 3.39Å
235	T	93.5	Very high	93.2	Very high	75 Å²	75	69 Å²	69	46%	0.46	35%	0.353	S	S	.	.			trans	-90.7	-14.9	176.8	61.5	0	0	0	0	113.4	N233 L237 H277 N281	N233-T235 PolarHBondContact O-N 2.85Å; T235-L237 PolarHBondContact O-N 3.44Å; T235-L237 WeakPolarHBondContact OG1-CG 3.35Å; T235-L237 PolarHBondContact OG1-N 3.11Å; T235-H277 WeakPolarHBondContact O-CB 3.44Å; T235-H277 PolarHBondContact O-ND1 3.44Å; T235-N281 PolarHBondContact O-ND2 3.5Å
236	G	95.8	Very high	93.3	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.01	35%	0.349	C	S	.	.			trans	69.1	2.5	-173.8	0	0	0	0	0	116.1	N226 Y234 N281	N226-G236 VanDerWaalsContact CB-O 3.26Å; N226-G236 WeakPolarHBondContact CB-O 3.43Å; N226-G236 PolarHBondContact ND2-O 3.02Å; Y234-G236 WeakPolarHBondContact OH-CA 3.46Å; G236-N281 WeakPolarHBondContact O-CB 3.29Å; G236-N281 PolarHBondContact O-ND2 3.29Å
237	L	96.3	Very high	93.4	Very high	109 Å²	109	71.4 Å²	71.4	57%	0.571	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-54.8	140.3	177.2	-68.4	171.1	0	0	0	111.1	T235	T235-L237 PolarHBondContact O-N 3.44Å; T235-L237 WeakPolarHBondContact OG1-CG 3.35Å; T235-L237 PolarHBondContact OG1-N 3.11Å
238	C	97.6	Very high	93.6	Very high	13 Å²	13	74.3 Å²	74.3	9%	0.088	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-66.2	129.2	169.7	-51.1	0	0	0	0	108.8	C224 L240 M243	C224-C238 HydrophobicContact CB-CB 4.08Å; C224-C238 WeakPolarHBondContact CB-SG 3.25Å; C224-C238 WeakPolarHBondContact SG-CA 3.44Å; C224-C238 WeakPolarHBondContact SG-CB 3.22Å; C224-C238 CovalentContact SG-SG 2.02Å; C224-C238 PolarHBondContact SG-SG 3.33Å; C238-L240 PolarHBondContact O-N 2.87Å; C238-M243 HydrophobicContact CB-CG 3.75Å; C238-M243 HydrophobicContact CB-SD 4.16Å
239	P	96	Very high	94	Very high	52 Å²	52	71.3 Å²	71.3	34%	0.338	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-57.6	135.9	175.2	-24.5	34.9	0	0	0	110.8	C224 P241 E242 M243	C224-P239 WeakPolarHBondContact O-CD 3.49Å; P239-P241 VanDerWaalsContact C-CD 3.46Å; P239-P241 VanDerWaalsContact C-N 3.34Å; P239-E242 HydrophobicContact CB-CB 4.41Å; P239-E242 HydrophobicContact CB-CG 4.04Å; P239-E242 HydrophobicContact CG-CG 4.28Å; P239-E242 WeakPolarHBondContact O-CA 3.5Å; P239-E242 WeakPolarHBondContact O-CB 3.23Å; P239-E242 PolarHBondContact O-N 2.89Å; P239-M243 PolarHBondContact O-N 3.24Å; P239-M243 VanDerWaalsContact O-N 3.16Å
240	L	95.8	Very high	94.6	Very high	133 Å²	133	74.4 Å²	74.4	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-51.9	-43.3	-178.4	-69.2	172.7	0	0	0	113.7	C238 E242 M243 M244	C238-L240 PolarHBondContact O-N 2.87Å; L240-E242 PolarHBondContact O-N 2.87Å; L240-M243 HydrophobicContact CD2-SD 4.4Å; L240-M243 PolarHBondContact O-N 3.39Å; L240-M244 WeakPolarHBondContact O-CG 3.4Å; L240-M244 PolarHBondContact O-N 3.45Å
241	P	96.6	Very high	95.3	Very high	76 Å²	76	69.8 Å²	69.8	49%	0.494	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-29.8	175.5	-24.5	35.6	0	0	0	113.3	P239 R245	P239-P241 VanDerWaalsContact C-CD 3.46Å; P239-P241 VanDerWaalsContact C-N 3.34Å; P241-R245 WeakPolarHBondContact O-CB 3.45Å; P241-R245 WeakPolarHBondContact O-CD 3.46Å; P241-R245 WeakPolarHBondContact O-CG 3.49Å; P241-R245 PolarHBondContact O-N 2.89Å
242	E	96.9	Very high	95.8	Very high	19 Å²	19	65.6 Å²	65.6	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-78.3	-34.4	-179.9	-60.9	-62.4	154.2	0	0	112.1	R156 H225 P239 L240 R245 N246	R156-E242 IonicContact CZ-OE2 3.12Å; R156-E242 IonicContact NE-OE2 3.03Å; R156-E242 PolarHBondContact NE-OE2 3.45Å; R156-E242 PolarHBondContact NH2-O 3.39Å; R156-E242 IonicContact NH2-OE2 2.79Å; R156-E242 PolarHBondContact NH2-OE2 2.85Å; H225-E242 HydrophobicContact CB-CB 4.21Å; H225-E242 HydrophobicContact CB-CG 3.71Å; H225-E242 IonicContact CD2-OE2 3.8Å; H225-E242 PolarHBondContact CD2-OE2 3.44Å; H225-E242 IonicContact CG-OE2 3.63Å; H225-E242 IonicContact NE2-OE2 2.7Å; P239-E242 HydrophobicContact CB-CB 4.41Å; P239-E242 HydrophobicContact CB-CG 4.04Å; P239-E242 HydrophobicContact CG-CG 4.28Å; P239-E242 WeakPolarHBondContact O-CA 3.5Å; P239-E242 WeakPolarHBondContact O-CB 3.23Å; P239-E242 PolarHBondContact O-N 2.89Å; L240-E242 PolarHBondContact O-N 2.87Å; E242-R245 PolarHBondContact O-N 3.32Å; E242-R245 IonicContact OE1-CZ 3.47Å; E242-R245 IonicContact OE1-NH1 2.81Å; E242-R245 PolarHBondContact OE1-NH1 3.33Å; E242-N246 VanDerWaalsContact O-CG 3.24Å; E242-N246 PolarHBondContact O-N 2.77Å; E242-N246 PolarHBondContact O-ND2 3.46Å
243	M	97.7	Very high	96.6	Very high	50 Å²	50	56.3 Å²	56.3	25%	0.246	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-41.9	169.9	-64.1	178.2	69.7	0	0	111.5	C238 P239 L240 N246 N247	C238-M243 HydrophobicContact CB-CG 3.75Å; C238-M243 HydrophobicContact CB-SD 4.16Å; P239-M243 PolarHBondContact O-N 3.24Å; P239-M243 VanDerWaalsContact O-N 3.16Å; L240-M243 HydrophobicContact CD2-SD 4.4Å; L240-M243 PolarHBondContact O-N 3.39Å; M243-N246 PolarHBondContact O-N 3.01Å; M243-N246 VanDerWaalsContact O-N 3.16Å; M243-N247 PolarHBondContact O-N 2.84Å; M243-N247 PolarHBondContact O-OD1 3.11Å
244	M	97.6	Very high	97.1	Very high	123 Å²	123	51.3 Å²	51.3	61%	0.606	27%	0.267	S	S	*	.	H	α-helix	trans	-62.4	-44.4	174.8	-68.1	-177.5	75.9	0	0	111.5	L240 N246 N247 E248	L240-M244 WeakPolarHBondContact O-CG 3.4Å; L240-M244 PolarHBondContact O-N 3.45Å; M244-N246 VanDerWaalsContact C-N 3.27Å; M244-N246 PolarHBondContact O-N 3.48Å; M244-N247 WeakPolarHBondContact O-CA 3.17Å; M244-N247 WeakPolarHBondContact O-CB 3.3Å; M244-N247 PolarHBondContact O-N 2.98Å; M244-E248 PolarHBondContact O-N 2.95Å; M244-E248 VanDerWaalsContact O-N 3.09Å
245	R	97.5	Very high	97.3	Very high	57 Å²	57	51 Å²	51	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-36.6	172.4	-77.8	169.6	178.2	157.6	3.5	112.2	Q153 D155 P241 E242 N247 E248	Q153-R245 VanDerWaalsContact NE2-CB 3.3Å; Q153-R245 PolarHBondContact NE2-O 2.69Å; D155-R245 IonicContact OD2-NH2 3.8Å; D155-R245 PolarHBondContact OD2-NH2 3.22Å; P241-R245 WeakPolarHBondContact O-CB 3.45Å; P241-R245 WeakPolarHBondContact O-CD 3.46Å; P241-R245 WeakPolarHBondContact O-CG 3.49Å; P241-R245 PolarHBondContact O-N 2.89Å; E242-R245 PolarHBondContact O-N 3.32Å; E242-R245 IonicContact OE1-CZ 3.47Å; E242-R245 IonicContact OE1-NH1 2.81Å; E242-R245 PolarHBondContact OE1-NH1 3.33Å; R245-N247 VanDerWaalsContact C-N 3.32Å; R245-E248 PolarHBondContact O-N 3.22Å
246	N	98.5	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-33.6	173.4	-68.6	-22.1	0	0	0	111.6	R156 D223 E242 M243 M244 E248 L249 W253 E285 I289	R156-N246 PolarHBondContact NH1-OD1 2.83Å; R156-N246 PolarHBondContact NH2-OD1 3.03Å; D223-N246 PolarHBondContact O-ND2 3.22Å; E242-N246 VanDerWaalsContact O-CG 3.24Å; E242-N246 PolarHBondContact O-N 2.77Å; E242-N246 PolarHBondContact O-ND2 3.46Å; M243-N246 PolarHBondContact O-N 3.01Å; M243-N246 VanDerWaalsContact O-N 3.16Å; M244-N246 VanDerWaalsContact C-N 3.27Å; M244-N246 PolarHBondContact O-N 3.48Å; N246-E248 PolarHBondContact O-N 3.09Å; N246-L249 PolarHBondContact O-N 3.33Å; N246-W253 HydrophobicContact CB-CZ2 4.33Å; N246-W253 WeakPolarHBondContact O-CZ2 3.43Å; N246-W253 PolarHBondContact O-NE1 3.46Å; N246-E285 WeakPolarHBondContact CB-OE1 3.31Å; N246-E285 PolarHBondContact ND2-OE1 2.89Å; N246-I289 HydrophobicContact CB-CD1 3.81Å; N246-I289 HydrophobicContact CB-CG1 4.3Å
247	N	98.1	Very high	97.6	Very high	70 Å²	70	48.1 Å²	48.1	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-37.8	174.5	-61.8	-14.4	0	0	0	112.4	M243 M244 R245 L249 L250 R288	M243-N247 PolarHBondContact O-N 2.84Å; M243-N247 PolarHBondContact O-OD1 3.11Å; M244-N247 WeakPolarHBondContact O-CA 3.17Å; M244-N247 WeakPolarHBondContact O-CB 3.3Å; M244-N247 PolarHBondContact O-N 2.98Å; R245-N247 VanDerWaalsContact C-N 3.32Å; N247-L249 PolarHBondContact O-N 2.98Å; N247-L249 VanDerWaalsContact O-N 3.15Å; N247-L250 PolarHBondContact O-N 3.35Å; N247-L250 VanDerWaalsContact O-N 3.14Å; N247-R288 PolarHBondContact OD1-NH1 2.89Å; N247-R288 PolarHBondContact OD1-NH2 3.1Å
248	E	97.6	Very high	97.8	Very high	124 Å²	124	42.9 Å²	42.9	58%	0.579	22%	0.223	S	C	*	.	H	α-helix	trans	-61.4	-22	176.2	-66.5	167.3	-178.5	0	0	113.5	Q153 M244 R245 N246 L250	Q153-E248 PolarHBondContact NE2-OE2 3.5Å; M244-E248 PolarHBondContact O-N 2.95Å; M244-E248 VanDerWaalsContact O-N 3.09Å; R245-E248 PolarHBondContact O-N 3.22Å; N246-E248 PolarHBondContact O-N 3.09Å; E248-L250 PolarHBondContact O-N 2.78Å
249	L	98.4	Very high	97.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	18.2	177.5	-66.8	-177.6	0	0	0	113.4	P152 Q153 Y221 N246 N247 W251 L252 W253	P152-L249 HydrophobicContact CG-CD1 4.5Å; P152-L249 HydrophobicContact CG-CD2 3.92Å; Q153-L249 HydrophobicContact CG-CD2 4.01Å; Q153-L249 HydrophobicContact CG-CG 4.48Å; Y221-L249 HydrophobicContact CD1-CD1 4.25Å; Y221-L249 HydrophobicContact CE1-CD1 4.02Å; N246-L249 PolarHBondContact O-N 3.33Å; N247-L249 PolarHBondContact O-N 2.98Å; N247-L249 VanDerWaalsContact O-N 3.15Å; L249-W251 HydrophobicContact CD2-CZ2 3.69Å; L249-W251 PolarHBondContact O-N 3.01Å; L249-L252 HydrophobicContact CB-CB 4.35Å; L249-L252 HydrophobicContact CD1-CD2 4.44Å; L249-L252 WeakPolarHBondContact O-CA 3.36Å; L249-L252 VanDerWaalsContact O-CB 3.27Å; L249-L252 WeakPolarHBondContact O-CB 3.35Å; L249-L252 PolarHBondContact O-N 3.34Å; L249-W253 HydrophobicContact CB-CD2 4.37Å; L249-W253 HydrophobicContact CB-CH2 4Å; L249-W253 HydrophobicContact CB-CZ2 3.33Å; L249-W253 HydrophobicContact CD1-CH2 3.86Å; L249-W253 HydrophobicContact CD1-CZ2 3.82Å; L249-W253 HydrophobicContact CG-CZ2 4.21Å; L249-W253 PolarHBondContact O-N 2.71Å; L249-W253 PolarHBondContact O-NE1 3.27Å
250	L	98.1	Very high	98	Very high	73 Å²	73	40 Å²	40	38%	0.382	20%	0.203	S	C	.	.	H	α-helix	trans	-49.4	-34.6	177.4	-174	60.2	0	0	0	113.7	N247 E248 L252 W253 N254 L292	N247-L250 PolarHBondContact O-N 3.35Å; N247-L250 VanDerWaalsContact O-N 3.14Å; E248-L250 PolarHBondContact O-N 2.78Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.19Å; L250-W253 VanDerWaalsContact CA-CD1 3.45Å; L250-W253 PolarHBondContact O-N 3.03Å; L250-N254 WeakPolarHBondContact O-CB 3.33Å; L250-N254 PolarHBondContact O-N 3.31Å; L250-L292 WeakPolarHBondContact CD1-O 3.45Å
251	W	98	Very high	98.1	Very high	35 Å²	35	33.6 Å²	33.6	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-34	174.7	64.4	-93.2	0	0	0	113.5	P152 K197 M200 Q201 L249 S255	P152-W251 HydrophobicContact CB-CH2 4.29Å; P152-W251 HydrophobicContact CB-CZ2 3.98Å; P152-W251 HydrophobicContact CG-CZ2 4.29Å; K197-W251 HydrophobicContact CB-CD2 4.43Å; K197-W251 HydrophobicContact CB-CH2 4.17Å; K197-W251 HydrophobicContact CB-CZ2 3.95Å; K197-W251 HydrophobicContact CB-CZ3 4.46Å; K197-W251 HydrophobicContact CD-CD2 3.87Å; K197-W251 HydrophobicContact CD-CE3 4.46Å; K197-W251 HydrophobicContact CD-CG 3.87Å; K197-W251 HydrophobicContact CG-CD2 3.64Å; K197-W251 HydrophobicContact CG-CE3 3.78Å; K197-W251 HydrophobicContact CG-CG 4.18Å; K197-W251 HydrophobicContact CG-CH2 4.24Å; K197-W251 HydrophobicContact CG-CZ2 4.08Å; K197-W251 HydrophobicContact CG-CZ3 4.08Å; M200-W251 HydrophobicContact CB-CH2 3.95Å; M200-W251 HydrophobicContact CB-CZ3 4.04Å; M200-W251 HydrophobicContact SD-CH2 4.23Å; Q201-W251 HydrophobicContact CB-CE3 3.96Å; Q201-W251 HydrophobicContact CB-CZ3 3.92Å; Q201-W251 HydrophobicContact CG-CE3 4.43Å; L249-W251 HydrophobicContact CD2-CZ2 3.69Å; L249-W251 PolarHBondContact O-N 3.01Å; W251-S255 WeakPolarHBondContact O-CB 3.32Å; W251-S255 PolarHBondContact O-N 3.27Å; W251-S255 PolarHBondContact O-OG 3.48Å
252	L	98.6	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-75.2	-43.3	178.9	-177.7	59.1	0	0	0	110.2	M200 F218 Y221 L249 L250 S255 S256	M200-L252 HydrophobicContact CE-CD1 4.13Å; M200-L252 HydrophobicContact CE-CD2 4.04Å; F218-L252 HydrophobicContact CD2-CD1 3.63Å; F218-L252 HydrophobicContact CD2-CG 4.5Å; F218-L252 HydrophobicContact CE2-CD1 3.52Å; F218-L252 HydrophobicContact CZ-CD1 4.48Å; Y221-L252 HydrophobicContact CD1-CD2 4.04Å; Y221-L252 HydrophobicContact CE1-CD2 4.4Å; Y221-L252 HydrophobicContact CG-CD2 4.39Å; L249-L252 HydrophobicContact CB-CB 4.35Å; L249-L252 HydrophobicContact CD1-CD2 4.44Å; L249-L252 WeakPolarHBondContact O-CA 3.36Å; L249-L252 VanDerWaalsContact O-CB 3.27Å; L249-L252 WeakPolarHBondContact O-CB 3.35Å; L249-L252 PolarHBondContact O-N 3.34Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.19Å; L252-S255 PolarHBondContact O-N 3.21Å; L252-S256 PolarHBondContact O-N 3.37Å; L252-S256 VanDerWaalsContact O-N 3.09Å; L252-S256 PolarHBondContact O-OG 3.14Å
253	W	98.3	Very high	98.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-47	179.6	-39.2	146.1	0	0	0	110.7	Y221 P222 N246 L249 L250 S255 S256 L259 I289 T293	Y221-W253 AromaticContact CD1-CH2 3.84Å; Y221-W253 HydrophobicContact CD1-CH2 3.84Å; Y221-W253 HydrophobicContact CD1-CZ3 4.19Å; Y221-W253 HydrophobicContact CG-CH2 4.49Å; Y221-W253 HydrophobicContact CG-CZ3 4.47Å; P222-W253 HydrophobicContact CB-CH2 4Å; P222-W253 HydrophobicContact CB-CZ2 4.27Å; N246-W253 HydrophobicContact CB-CZ2 4.33Å; N246-W253 WeakPolarHBondContact O-CZ2 3.43Å; N246-W253 PolarHBondContact O-NE1 3.46Å; L249-W253 HydrophobicContact CB-CD2 4.37Å; L249-W253 HydrophobicContact CB-CH2 4Å; L249-W253 HydrophobicContact CB-CZ2 3.33Å; L249-W253 HydrophobicContact CD1-CH2 3.86Å; L249-W253 HydrophobicContact CD1-CZ2 3.82Å; L249-W253 HydrophobicContact CG-CZ2 4.21Å; L249-W253 PolarHBondContact O-N 2.71Å; L249-W253 PolarHBondContact O-NE1 3.27Å; L250-W253 VanDerWaalsContact CA-CD1 3.45Å; L250-W253 PolarHBondContact O-N 3.03Å; W253-S255 PolarHBondContact O-N 3.24Å; W253-S256 PolarHBondContact O-N 2.92Å; W253-L259 HydrophobicContact CE3-CD2 4.24Å; W253-I289 HydrophobicContact CB-CG2 4.35Å; W253-I289 HydrophobicContact CD2-CG2 3.63Å; W253-I289 HydrophobicContact CE3-CG2 4.26Å; W253-I289 HydrophobicContact CG-CG2 3.64Å; W253-I289 HydrophobicContact CZ2-CG2 4.22Å; W253-T293 HydrophobicContact CB-CG2 3.68Å
254	N	98.1	Very high	98	Very high	45 Å²	45	27.8 Å²	27.8	24%	0.241	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-26.1	177.4	-73.4	-13.2	0	0	0	113.3	L250 T293 S294	L250-N254 WeakPolarHBondContact O-CB 3.33Å; L250-N254 PolarHBondContact O-N 3.31Å; N254-T293 WeakPolarHBondContact OD1-CA 3.36Å; N254-T293 WeakPolarHBondContact OD1-CB 3.18Å; N254-S294 PolarHBondContact OD1-N 3.13Å; N254-S294 PolarHBondContact OD1-OG 3.34Å
255	S	98	Very high	97.9	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-86	-11.4	176.5	-54.4	0	0	0	0	113.2	Q201 W251 L252 W253	Q201-S255 PolarHBondContact NE2-OG 3.01Å; W251-S255 WeakPolarHBondContact O-CB 3.32Å; W251-S255 PolarHBondContact O-N 3.27Å; W251-S255 PolarHBondContact O-OG 3.48Å; L252-S255 PolarHBondContact O-N 3.21Å; W253-S255 PolarHBondContact O-N 3.24Å
256	S	98.6	Very high	97.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.115	C	C	.	.			trans	-91.6	160	179.4	-56.5	0	0	0	0	111.3	L252 W253	L252-S256 PolarHBondContact O-N 3.37Å; L252-S256 VanDerWaalsContact O-N 3.09Å; L252-S256 PolarHBondContact O-OG 3.14Å; W253-S256 PolarHBondContact O-N 2.92Å
257	T	98.4	Very high	97.5	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.074	13%	0.134	C	C	.	.	S	Bend	trans	-118.4	-4.8	172.1	60	0	0	0	0	113.1	T208 A214 L215 W216 P300	T208-T257 HydrophobicContact CG2-CG2 4.02Å; A214-T257 PolarHBondContact O-OG1 3.15Å; L215-T257 WeakPolarHBondContact CA-OG1 3.39Å; W216-T257 PolarHBondContact N-OG1 2.75Å; W216-T257 PolarHBondContact O-N 3.36Å; T257-P300 WeakPolarHBondContact O-CD 3.46Å
258	A	98.8	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-153.8	163.8	168	0	0	0	0	0	111.3	L215 W216 F260 P300 Y302	L215-A258 HydrophobicContact CB-CB 3.83Å; W216-A258 PolarHBondContact O-N 3.37Å; A258-F260 HydrophobicContact CB-CE1 4.45Å; A258-F260 HydrophobicContact CB-CE2 4Å; A258-F260 HydrophobicContact CB-CZ 3.78Å; A258-P300 WeakPolarHBondContact CA-O 3.37Å; A258-P300 HydrophobicContact CB-CG 4.1Å; A258-P300 WeakPolarHBondContact CB-O 3.36Å; A258-Y302 HydrophobicContact CB-CD2 4.18Å; A258-Y302 HydrophobicContact CB-CE2 4.28Å
259	L	98.9	Very high	97	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-112.1	144.4	173.8	-60.1	179.7	0	0	0	111	W253 S286 I289 A290 L299 P300 Y302	W253-L259 HydrophobicContact CE3-CD2 4.24Å; L259-S286 WeakPolarHBondContact CD1-O 3.48Å; L259-I289 HydrophobicContact CD1-CB 4.34Å; L259-I289 HydrophobicContact CD1-CG2 4.03Å; L259-A290 HydrophobicContact CD1-CB 3.84Å; L259-L299 HydrophobicContact CD2-CD1 4.07Å; L259-L299 HydrophobicContact CG-CB 4.29Å; L259-L299 HydrophobicContact CG-CD1 4.19Å; L259-P300 PolarHBondContact N-O 2.78Å; L259-Y302 PolarHBondContact O-N 2.66Å
260	F	98.8	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-131.2	60.7	-174.6	-60.1	-71	0	0	0	112.1	L142 V144 L220 Y221 A258 Y302 Y304 I338	L142-F260 HydrophobicContact CB-CE1 4.41Å; L142-F260 HydrophobicContact CB-CZ 4.41Å; L142-F260 HydrophobicContact CD1-CE1 4.36Å; L142-F260 HydrophobicContact CD2-CE1 4.4Å; V144-F260 HydrophobicContact CG1-CB 4.49Å; V144-F260 HydrophobicContact CG1-CD2 4.19Å; V144-F260 HydrophobicContact CG1-CG 4.21Å; V144-F260 HydrophobicContact CG2-CD1 4.01Å; V144-F260 HydrophobicContact CG2-CD2 4.2Å; V144-F260 HydrophobicContact CG2-CE1 3.76Å; V144-F260 HydrophobicContact CG2-CE2 3.96Å; V144-F260 HydrophobicContact CG2-CG 4.23Å; V144-F260 HydrophobicContact CG2-CZ 3.74Å; L220-F260 PolarHBondContact N-O 3.13Å; Y221-F260 CarbonylContact O-C 3.57Å; Y221-F260 PolarHBondContact O-N 2.99Å; A258-F260 HydrophobicContact CB-CE1 4.45Å; A258-F260 HydrophobicContact CB-CE2 4Å; A258-F260 HydrophobicContact CB-CZ 3.78Å; F260-Y302 WeakPolarHBondContact CA-O 3.34Å; F260-Y302 HydrophobicContact CE1-CD2 4.01Å; F260-Y302 HydrophobicContact CE1-CG 4.24Å; F260-Y304 HydrophobicContact CB-CD2 3.96Å; F260-Y304 HydrophobicContact CB-CE2 4.03Å; F260-Y304 HydrophobicContact CD1-CD2 4.24Å; F260-Y304 AromaticContact CD1-CE2 3.86Å; F260-Y304 HydrophobicContact CD1-CE2 3.86Å; F260-Y304 HydrophobicContact CG-CE2 4.18Å; F260-I338 HydrophobicContact CD1-CD1 3.62Å; F260-I338 HydrophobicContact CE1-CD1 3.77Å
261	P	98.6	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.			trans	-64.6	149.3	174.8	33.4	-38.6	0	0	0	109.8	S286 T301 V303 Y304	P261-S286 WeakPolarHBondContact CG-OG 3.43Å; P261-T301 HydrophobicContact CG-CG2 3.7Å; P261-V303 HydrophobicContact CG-CG2 4.26Å; P261-Y304 PolarHBondContact O-N 3.19Å
262	S	97.9	Very high	96.5	Very high	8 Å²	8	25.4 Å²	25.4	6%	0.056	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-108.2	134.5	176.7	-174.3	0	0	0	0	110.9	Y219 R282	Y219-S262 PolarHBondContact OH-OG 3.15Å; S262-R282 PolarHBondContact O-NE 3.4Å; S262-R282 PolarHBondContact O-NH2 3.22Å
263	V	97.1	Very high	96.4	Very high	1 Å²	1	29 Å²	29	1%	0.006	16%	0.16	C	C	.	.			trans	-121.8	56.4	172.3	-54.6	0	0	0	0	111	I265 F278 A279 R282 I283 V303 Y304 L305 T325	V263-I265 PolarHBondContact O-N 3.48Å; V263-I265 VanDerWaalsContact O-N 3.12Å; V263-F278 HydrophobicContact CB-CE1 4.4Å; V263-A279 HydrophobicContact CB-CB 4.2Å; V263-A279 HydrophobicContact CG1-CB 4.3Å; V263-A279 HydrophobicContact CG2-CB 4.41Å; V263-R282 HydrophobicContact CG1-CB 3.82Å; V263-I283 HydrophobicContact CG1-CG1 4.39Å; V263-V303 HydrophobicContact CB-CG1 4.31Å; V263-V303 HydrophobicContact CG1-CG1 3.92Å; V263-V303 HydrophobicContact CG2-CG1 3.49Å; V263-V303 VanDerWaalsContact CG2-CG1 3.49Å; V263-Y304 PolarHBondContact N-O 2.99Å; V263-L305 HydrophobicContact CB-CD2 4.45Å; V263-L305 HydrophobicContact CG2-CD2 3.11Å; V263-L305 HydrophobicContact CG2-CG 4.32Å; V263-T325 HydrophobicContact CG2-CG2 4.26Å
264	A	94.7	Very high	96.2	Very high	13 Å²	13	29.9 Å²	29.9	11%	0.107	17%	0.166	C	C	.	.			trans	-76.1	93.6	173.5	0	0	0	0	0	111.8	R306 R310	A264-R306 HydrophobicContact CB-CG 4.45Å; A264-R310 HydrophobicContact CB-CB 4.18Å; A264-R310 HydrophobicContact CB-CG 4.43Å
265	I	95.9	Very high	96.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.155	C	C	.	.			trans	-73.2	158.6	179.5	53.9	169.9	0	0	0	113.4	V263 N275 F278 Y309 R310 L317 D321 T325	V263-I265 PolarHBondContact O-N 3.48Å; V263-I265 VanDerWaalsContact O-N 3.12Å; I265-N275 HydrophobicContact CD1-CB 4.4Å; I265-N275 HydrophobicContact CG2-CB 4.04Å; I265-F278 HydrophobicContact CG2-CD1 3.74Å; I265-F278 HydrophobicContact CG2-CE1 4.24Å; I265-Y309 HydrophobicContact CD1-CD1 4.28Å; I265-Y309 HydrophobicContact CD1-CE1 4.02Å; I265-Y309 HydrophobicContact CG1-CD1 4.11Å; I265-Y309 HydrophobicContact CG1-CE1 4.37Å; I265-R310 WeakPolarHBondContact O-CB 3.48Å; I265-R310 PolarHBondContact O-N 2.76Å; I265-L317 HydrophobicContact CD1-CD1 4.28Å; I265-L317 HydrophobicContact CD1-CD2 3.67Å; I265-L317 HydrophobicContact CG1-CD2 3.95Å; I265-D321 HydrophobicContact CD1-CB 3.67Å; I265-T325 HydrophobicContact CD1-CG2 4.01Å; I265-T325 HydrophobicContact CG1-CG2 4.4Å; I265-T325 HydrophobicContact CG2-CG2 4.25Å
266	R	93.6	Very high	96	Very high	79 Å²	79	27.6 Å²	27.6	30%	0.298	15%	0.152	S	C	.	.			trans	-100.3	146.5	-175.9	-66.3	-173.7	-179.9	-147.8	6.5	112.5	L229 S268 H269 Y309 D311	L229-R266 HydrophobicContact CD1-CG 4.47Å; R266-S268 VanDerWaalsContact C-N 3.32Å; R266-S268 PolarHBondContact O-N 2.91Å; R266-H269 PolarHBondContact O-N 3.23Å; R266-Y309 VanDerWaalsContact C-CD1 3.47Å; R266-D311 WeakPolarHBondContact CA-OD1 3.39Å
267	K	94	Very high	95.9	Very high	93 Å²	93	29.8 Å²	29.8	40%	0.404	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-63.5	-36.5	-177.9	-171	178.3	-179.1	178.6	0	112.7	H269 S270 Y309 D311 D312 A315	K267-H269 PolarHBondContact O-N 3.43Å; K267-S270 VanDerWaalsContact O-CB 3.23Å; K267-S270 WeakPolarHBondContact O-CB 3.18Å; K267-S270 PolarHBondContact O-N 2.9Å; K267-Y309 VanDerWaalsContact CA-CG 3.41Å; K267-Y309 HydrophobicContact CB-CD1 4.33Å; K267-Y309 HydrophobicContact CB-CD2 3.79Å; K267-Y309 HydrophobicContact CB-CG 3.67Å; K267-Y309 HydrophobicContact CD-CD2 4.46Å; K267-Y309 HydrophobicContact CG-CD2 3.77Å; K267-Y309 HydrophobicContact CG-CE2 4.23Å; K267-Y309 HydrophobicContact CG-CG 4.19Å; K267-D311 WeakPolarHBondContact CB-OD2 3.33Å; K267-D311 PolarHBondContact N-OD1 3.42Å; K267-D312 HydrophobicContact CD-CB 3.95Å; K267-D312 IonicContact NZ-OD2 2.71Å; K267-D312 PolarHBondContact NZ-OD2 3.49Å; K267-A315 HydrophobicContact CD-CB 3.97Å
268	S	92.8	Very high	95.9	Very high	84 Å²	84	29.5 Å²	29.5	59%	0.587	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-59.5	-17.6	178.6	67.7	0	0	0	0	113.9	R266	R266-S268 VanDerWaalsContact C-N 3.32Å; R266-S268 PolarHBondContact O-N 2.91Å
269	H	91.4	Very high	95.9	Very high	27 Å²	27	29.5 Å²	29.5	13%	0.125	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-113.8	17.6	178.1	-60.1	90.8	0	0	0	112.3	L229 R266 K267 N271 S272 N275	L229-H269 PolarHBondContact O-NE2 2.85Å; R266-H269 PolarHBondContact O-N 3.23Å; K267-H269 PolarHBondContact O-N 3.43Å; H269-N271 PolarHBondContact O-N 2.94Å; H269-S272 WeakPolarHBondContact O-CB 3.36Å; H269-S272 PolarHBondContact O-N 3.48Å; H269-N275 WeakPolarHBondContact CB-OD1 3.43Å; H269-N275 PolarHBondContact O-ND2 3.31Å
270	S	94.9	Very high	95.8	Very high	45 Å²	45	29.7 Å²	29.7	32%	0.315	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	130.6	175.1	172.3	0	0	0	0	111.1	K267 S272 Y309 D321	K267-S270 VanDerWaalsContact O-CB 3.23Å; K267-S270 WeakPolarHBondContact O-CB 3.18Å; K267-S270 PolarHBondContact O-N 2.9Å; S270-S272 PolarHBondContact O-N 2.83Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S270-Y309 WeakPolarHBondContact CB-OH 3.5Å; S270-Y309 PolarHBondContact OG-OH 3.07Å; S270-D321 WeakPolarHBondContact CA-OD2 3.37Å
271	N	95.4	Very high	95.8	Very high	68 Å²	68	30.6 Å²	30.6	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	6.2	-176.4	-57.8	-52.3	0	0	0	116.4	H269 T318 K320 D321	H269-N271 PolarHBondContact O-N 2.94Å; N271-T318 VanDerWaalsContact OD1-CB 3.22Å; N271-T318 WeakPolarHBondContact OD1-CB 3.27Å; N271-T318 WeakPolarHBondContact OD1-CG2 3.48Å; N271-T318 PolarHBondContact OD1-OG1 3.37Å; N271-K320 HydrophobicContact CB-CD 3.99Å; N271-K320 WeakPolarHBondContact O-CD 3.3Å; N271-K320 WeakPolarHBondContact O-CE 3.34Å; N271-K320 PolarHBondContact O-NZ 3.29Å; N271-K320 WeakPolarHBondContact OD1-CB 3.49Å; N271-D321 PolarHBondContact N-OD1 3.12Å; N271-D321 PolarHBondContact N-OD2 2.99Å
272	S	94.6	Very high	95.8	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	17%	0.166	S	C	.	.			trans	-77.4	150	178.6	-176.5	0	0	0	0	111.8	H269 S270 S274 N275 H324	H269-S272 WeakPolarHBondContact O-CB 3.36Å; H269-S272 PolarHBondContact O-N 3.48Å; S270-S272 PolarHBondContact O-N 2.83Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S272-S274 PolarHBondContact O-N 2.85Å; S272-S274 PolarHBondContact OG-N 2.96Å; S272-S274 VanDerWaalsContact OG-N 3.09Å; S272-S274 PolarHBondContact OG-OG 2.87Å; S272-S274 VanDerWaalsContact OG-OG 3.05Å; S272-N275 PolarHBondContact O-N 2.93Å; S272-H324 PolarHBondContact O-CE1 3.35Å; S272-H324 PolarHBondContact O-ND1 3.22Å
273	I	94.8	Very high	95.9	Very high	75 Å²	75	30.3 Å²	30.3	39%	0.385	16%	0.164	S	C	.	.	H	α-helix	trans	-62.8	-23.4	167.5	-165.4	66.3	0	0	0	111.8	N275 W276 H277	I273-N275 PolarHBondContact O-N 2.7Å; I273-W276 HydrophobicContact CD1-CB 3.94Å; I273-W276 HydrophobicContact CD1-CD2 4.45Å; I273-W276 HydrophobicContact CD1-CE3 4.37Å; I273-W276 HydrophobicContact CD1-CG 4.28Å; I273-W276 WeakPolarHBondContact O-CA 3.39Å; I273-W276 VanDerWaalsContact O-CB 3.3Å; I273-W276 WeakPolarHBondContact O-CB 3.42Å; I273-W276 PolarHBondContact O-N 2.7Å; I273-H277 PolarHBondContact O-CD2 2.72Å; I273-H277 PolarHBondContact O-N 2.91Å
274	S	95.3	Very high	95.9	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-33.5	173.9	-46.6	0	0	0	0	112.2	Y234 S272 W276 H277 F278	Y234-S274 WeakPolarHBondContact CE1-O 3.42Å; S272-S274 PolarHBondContact O-N 2.85Å; S272-S274 PolarHBondContact OG-N 2.96Å; S272-S274 VanDerWaalsContact OG-N 3.09Å; S272-S274 PolarHBondContact OG-OG 2.87Å; S272-S274 VanDerWaalsContact OG-OG 3.05Å; S274-W276 VanDerWaalsContact C-N 3.34Å; S274-H277 PolarHBondContact O-N 3.18Å; S274-F278 VanDerWaalsContact O-CB 3.28Å; S274-F278 WeakPolarHBondContact O-CB 3.25Å; S274-F278 PolarHBondContact O-N 2.93Å
275	N	94.9	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-36.3	174.6	-78	-12.6	0	0	0	111.7	I265 H269 S272 I273 A279 D321	I265-N275 HydrophobicContact CD1-CB 4.4Å; I265-N275 HydrophobicContact CG2-CB 4.04Å; H269-N275 WeakPolarHBondContact CB-OD1 3.43Å; H269-N275 PolarHBondContact O-ND2 3.31Å; S272-N275 PolarHBondContact O-N 2.93Å; I273-N275 PolarHBondContact O-N 2.7Å; N275-A279 WeakPolarHBondContact O-CB 3.44Å; N275-A279 PolarHBondContact O-N 3.05Å; N275-D321 PolarHBondContact ND2-OD1 2.79Å
276	W	96.6	Very high	96.2	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-52.9	171.9	-178.4	84.3	0	0	0	110.5	I273 S274 F278 A279 H280 H324 E328 L394 H396 Y398	I273-W276 HydrophobicContact CD1-CB 3.94Å; I273-W276 HydrophobicContact CD1-CD2 4.45Å; I273-W276 HydrophobicContact CD1-CE3 4.37Å; I273-W276 HydrophobicContact CD1-CG 4.28Å; I273-W276 WeakPolarHBondContact O-CA 3.39Å; I273-W276 VanDerWaalsContact O-CB 3.3Å; I273-W276 WeakPolarHBondContact O-CB 3.42Å; I273-W276 PolarHBondContact O-N 2.7Å; S274-W276 VanDerWaalsContact C-N 3.34Å; W276-F278 PolarHBondContact O-N 2.7Å; W276-A279 PolarHBondContact O-N 3.44Å; W276-A279 VanDerWaalsContact O-N 3.15Å; W276-H280 HydrophobicContact CD2-CB 4.19Å; W276-H280 HydrophobicContact CE3-CB 4.37Å; W276-H280 HydrophobicContact CH2-CB 4.26Å; W276-H280 AromaticContact CH2-CD2 3.97Å; W276-H280 AromaticContact CH2-CG 3.77Å; W276-H280 AromaticContact CH2-ND1 3.94Å; W276-H280 HydrophobicContact CZ2-CB 4.07Å; W276-H280 AromaticContact CZ2-CG 3.71Å; W276-H280 AromaticContact CZ2-ND1 3.57Å; W276-H280 HydrophobicContact CZ3-CB 4.4Å; W276-H280 WeakPolarHBondContact O-CB 3.49Å; W276-H280 PolarHBondContact O-N 3.13Å; W276-H324 HydrophobicContact CB-CB 4.17Å; W276-H324 AromaticContact CD1-CD2 3.94Å; W276-E328 VanDerWaalsContact NE1-CD 3.29Å; W276-E328 PolarHBondContact NE1-OE2 3Å; W276-L394 HydrophobicContact CH2-CD2 4.48Å; W276-H396 AromaticContact CD2-NE2 3.85Å; W276-H396 AromaticContact CE2-CD2 3.64Å; W276-H396 AromaticContact CE2-NE2 3.77Å; W276-H396 AromaticContact CZ2-CD2 3.84Å; W276-H396 AromaticContact CZ2-NE2 3.92Å; W276-H396 AromaticContact NE1-CD2 3.8Å; W276-Y398 PolarHBondContact NE1-OH 3.28Å
277	H	97.3	Very high	96.5	Very high	49 Å²	49	30.5 Å²	30.5	23%	0.227	17%	0.166	C	C	.	.	H	α-helix	trans	-55.2	-40.8	177	-73.8	-56.1	0	0	0	112.5	Y234 T235 I273 S274 N281	Y234-H277 HydrophobicContact CD1-CB 4.32Å; Y234-H277 HydrophobicContact CE1-CB 3.9Å; T235-H277 WeakPolarHBondContact O-CB 3.44Å; T235-H277 PolarHBondContact O-ND1 3.44Å; I273-H277 PolarHBondContact O-CD2 2.72Å; I273-H277 PolarHBondContact O-N 2.91Å; S274-H277 PolarHBondContact O-N 3.18Å; H277-N281 PolarHBondContact O-N 2.88Å; H277-N281 PolarHBondContact O-ND2 3.07Å
278	F	97.6	Very high	96.7	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-50.8	176.6	178.7	-101.3	0	0	0	112.5	N226 Y227 L229 Y234 V263 I265 S274 W276 R282	N226-F278 PolarHBondContact ND2-O 3.3Å; N226-F278 VanDerWaalsContact ND2-O 3.13Å; N226-F278 WeakPolarHBondContact O-CD2 3.47Å; Y227-F278 AromaticContact CD1-CE2 3.82Å; Y227-F278 HydrophobicContact CD1-CE2 3.82Å; Y227-F278 HydrophobicContact CD1-CZ 4.32Å; Y227-F278 AromaticContact CE1-CE2 3.93Å; Y227-F278 HydrophobicContact CE1-CE2 3.93Å; Y227-F278 HydrophobicContact CE1-CZ 4.06Å; L229-F278 HydrophobicContact CD2-CB 4.23Å; L229-F278 HydrophobicContact CD2-CD2 4.49Å; Y234-F278 HydrophobicContact CE1-CB 4.46Å; Y234-F278 WeakPolarHBondContact OH-CA 3.27Å; Y234-F278 WeakPolarHBondContact OH-CB 3.2Å; Y234-F278 WeakPolarHBondContact OH-CD2 3.39Å; V263-F278 HydrophobicContact CB-CE1 4.4Å; I265-F278 HydrophobicContact CG2-CD1 3.74Å; I265-F278 HydrophobicContact CG2-CE1 4.24Å; S274-F278 VanDerWaalsContact O-CB 3.28Å; S274-F278 WeakPolarHBondContact O-CB 3.25Å; S274-F278 PolarHBondContact O-N 2.93Å; W276-F278 PolarHBondContact O-N 2.7Å; F278-R282 VanDerWaalsContact CZ-CD 3.43Å; F278-R282 WeakPolarHBondContact O-CD 3.44Å; F278-R282 WeakPolarHBondContact O-CG 3.28Å
279	A	97.9	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.3	-48.8	-178.2	0	0	0	0	0	111.8	V263 N275 W276 N281 R282 I283 H324 T325	V263-A279 HydrophobicContact CB-CB 4.2Å; V263-A279 HydrophobicContact CG1-CB 4.3Å; V263-A279 HydrophobicContact CG2-CB 4.41Å; N275-A279 WeakPolarHBondContact O-CB 3.44Å; N275-A279 PolarHBondContact O-N 3.05Å; W276-A279 PolarHBondContact O-N 3.44Å; W276-A279 VanDerWaalsContact O-N 3.15Å; A279-N281 PolarHBondContact O-N 2.74Å; A279-R282 PolarHBondContact O-N 3.28Å; A279-R282 VanDerWaalsContact O-N 3.16Å; A279-I283 HydrophobicContact CB-CD1 4.39Å; A279-I283 WeakPolarHBondContact O-CD1 3.35Å; A279-I283 VanDerWaalsContact O-CG1 3.26Å; A279-I283 WeakPolarHBondContact O-CG1 3.47Å; A279-I283 PolarHBondContact O-N 3.05Å; A279-H324 WeakPolarHBondContact CB-O 3.44Å; A279-T325 HydrophobicContact CB-CG2 4.49Å
280	H	98.4	Very high	97.2	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-48.9	-56.6	-179.7	175.7	75.1	0	0	0	111.7	W276 R282 I283 Q284 E328 P393	W276-H280 HydrophobicContact CD2-CB 4.19Å; W276-H280 HydrophobicContact CE3-CB 4.37Å; W276-H280 HydrophobicContact CH2-CB 4.26Å; W276-H280 AromaticContact CH2-CD2 3.97Å; W276-H280 AromaticContact CH2-CG 3.77Å; W276-H280 AromaticContact CH2-ND1 3.94Å; W276-H280 HydrophobicContact CZ2-CB 4.07Å; W276-H280 AromaticContact CZ2-CG 3.71Å; W276-H280 AromaticContact CZ2-ND1 3.57Å; W276-H280 HydrophobicContact CZ3-CB 4.4Å; W276-H280 WeakPolarHBondContact O-CB 3.49Å; W276-H280 PolarHBondContact O-N 3.13Å; H280-R282 VanDerWaalsContact C-N 3.33Å; H280-R282 PolarHBondContact O-N 3.42Å; H280-I283 PolarHBondContact O-N 3.43Å; H280-Q284 WeakPolarHBondContact O-CB 3.33Å; H280-Q284 VanDerWaalsContact O-CG 3.31Å; H280-Q284 WeakPolarHBondContact O-CG 3.36Å; H280-Q284 PolarHBondContact O-N 2.85Å; H280-E328 HydrophobicContact CB-CG 4.29Å; H280-E328 IonicContact CE1-OE1 3.15Å; H280-E328 IonicContact CG-OE1 3.81Å; H280-E328 IonicContact ND1-OE1 3Å; H280-E328 PolarHBondContact ND1-OE1 3.41Å; H280-P393 PolarHBondContact CE1-O 3.22Å
281	N	98.4	Very high	97.3	Very high	18 Å²	18	24 Å²	24	10%	0.096	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-31.2	-176.1	-75.4	-76.1	0	0	0	113.3	T235 G236 H277 A279 E285	T235-N281 PolarHBondContact O-ND2 3.5Å; G236-N281 WeakPolarHBondContact O-CB 3.29Å; G236-N281 PolarHBondContact O-ND2 3.29Å; H277-N281 PolarHBondContact O-N 2.88Å; H277-N281 PolarHBondContact O-ND2 3.07Å; A279-N281 PolarHBondContact O-N 2.74Å; N281-E285 WeakPolarHBondContact O-CB 3.31Å; N281-E285 PolarHBondContact O-N 3.03Å
282	R	98.7	Very high	97.3	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-69.3	-39.3	175.5	-69.7	178.2	79	74.6	8.3	111.9	D223 C224 N226 Y227 S262 V263 F278 A279 H280 S286	D223-R282 IonicContact OD1-CZ 3.41Å; D223-R282 VanDerWaalsContact OD1-CZ 3.22Å; D223-R282 IonicContact OD1-NH1 2.67Å; D223-R282 PolarHBondContact OD1-NH1 3.01Å; D223-R282 IonicContact OD1-NH2 3.62Å; D223-R282 PolarHBondContact OD1-NH2 3.26Å; C224-R282 HydrophobicContact CB-CB 4.39Å; C224-R282 HydrophobicContact CB-CG 3.61Å; N226-R282 WeakPolarHBondContact OD1-CD 3.47Å; N226-R282 WeakPolarHBondContact OD1-CG 3.16Å; N226-R282 PolarHBondContact OD1-NH1 2.86Å; N226-R282 VanDerWaalsContact OD1-NH1 3.07Å; Y227-R282 PolarHBondContact OH-NH2 2.81Å; S262-R282 PolarHBondContact O-NE 3.4Å; S262-R282 PolarHBondContact O-NH2 3.22Å; V263-R282 HydrophobicContact CG1-CB 3.82Å; F278-R282 VanDerWaalsContact CZ-CD 3.43Å; F278-R282 WeakPolarHBondContact O-CD 3.44Å; F278-R282 WeakPolarHBondContact O-CG 3.28Å; A279-R282 PolarHBondContact O-N 3.28Å; A279-R282 VanDerWaalsContact O-N 3.16Å; H280-R282 VanDerWaalsContact C-N 3.33Å; H280-R282 PolarHBondContact O-N 3.42Å; R282-S286 PolarHBondContact O-N 2.8Å; R282-S286 VanDerWaalsContact O-N 3.13Å
283	I	98.7	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.6	-45.9	176.5	-62.7	158.5	0	0	0	109.5	V263 A279 H280 E285 S286 L287 V303 E328 S329 L332	V263-I283 HydrophobicContact CG1-CG1 4.39Å; A279-I283 HydrophobicContact CB-CD1 4.39Å; A279-I283 WeakPolarHBondContact O-CD1 3.35Å; A279-I283 VanDerWaalsContact O-CG1 3.26Å; A279-I283 WeakPolarHBondContact O-CG1 3.47Å; A279-I283 PolarHBondContact O-N 3.05Å; H280-I283 PolarHBondContact O-N 3.43Å; I283-E285 PolarHBondContact O-N 3.39Å; I283-S286 WeakPolarHBondContact O-CB 3.27Å; I283-S286 PolarHBondContact O-N 2.86Å; I283-S286 VanDerWaalsContact O-N 3.15Å; I283-L287 HydrophobicContact CG2-CD1 3.93Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CG 3.31Å; I283-L287 PolarHBondContact O-N 3.07Å; I283-V303 HydrophobicContact CG1-CG1 4.45Å; I283-V303 HydrophobicContact CG1-CG2 4.11Å; I283-E328 HydrophobicContact CD1-CB 4.34Å; I283-E328 HydrophobicContact CD1-CG 4.07Å; I283-S329 WeakPolarHBondContact CD1-OG 3.33Å; I283-L332 HydrophobicContact CB-CD1 3.9Å; I283-L332 HydrophobicContact CG2-CB 3.94Å; I283-L332 HydrophobicContact CG2-CD1 3.63Å; I283-L332 HydrophobicContact CG2-CG 4.42Å
284	Q	98.4	Very high	97.3	Very high	59 Å²	59	24.1 Å²	24.1	28%	0.276	13%	0.131	S	C	.	.	H	α-helix	trans	-55.8	-48	175.1	-75.8	-66.9	-26.6	0	0	112.4	H280 S286 L287 R288 L332	H280-Q284 WeakPolarHBondContact O-CB 3.33Å; H280-Q284 VanDerWaalsContact O-CG 3.31Å; H280-Q284 WeakPolarHBondContact O-CG 3.36Å; H280-Q284 PolarHBondContact O-N 2.85Å; Q284-S286 VanDerWaalsContact C-N 3.31Å; Q284-S286 PolarHBondContact O-N 2.78Å; Q284-L287 PolarHBondContact O-N 2.83Å; Q284-R288 WeakPolarHBondContact O-CB 3.32Å; Q284-R288 PolarHBondContact O-N 2.78Å; Q284-L332 HydrophobicContact CG-CD1 4.08Å
285	E	98.8	Very high	97.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-38	177.8	176	61.5	178.3	0	0	112	P222 N246 N281 I283 R288 I289	P222-E285 HydrophobicContact CG-CG 4.47Å; N246-E285 WeakPolarHBondContact CB-OE1 3.31Å; N246-E285 PolarHBondContact ND2-OE1 2.89Å; N281-E285 WeakPolarHBondContact O-CB 3.31Å; N281-E285 PolarHBondContact O-N 3.03Å; I283-E285 PolarHBondContact O-N 3.39Å; E285-R288 VanDerWaalsContact CD-NH2 3.32Å; E285-R288 PolarHBondContact O-N 3.12Å; E285-R288 IonicContact OE1-CZ 3.74Å; E285-R288 IonicContact OE1-NE 2.62Å; E285-R288 IonicContact OE1-NH2 3.64Å; E285-R288 PolarHBondContact OE1-NH2 3.33Å; E285-R288 IonicContact OE2-CZ 2.78Å; E285-R288 IonicContact OE2-NE 3.92Å; E285-R288 PolarHBondContact OE2-NE 2.86Å; E285-R288 IonicContact OE2-NH2 3.61Å; E285-R288 PolarHBondContact OE2-NH2 3.25Å; E285-R288 VanDerWaalsContact OE2-NH2 3.12Å; E285-I289 WeakPolarHBondContact O-CB 3.45Å; E285-I289 VanDerWaalsContact O-CG1 3.28Å; E285-I289 WeakPolarHBondContact O-CG1 3.3Å; E285-I289 PolarHBondContact O-N 3.05Å
286	S	98.6	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-44	174	-168.9	0	0	0	0	112.5	L259 P261 R282 I283 Q284 I289 A290 T301	L259-S286 WeakPolarHBondContact CD1-O 3.48Å; P261-S286 WeakPolarHBondContact CG-OG 3.43Å; R282-S286 PolarHBondContact O-N 2.8Å; R282-S286 VanDerWaalsContact O-N 3.13Å; I283-S286 WeakPolarHBondContact O-CB 3.27Å; I283-S286 PolarHBondContact O-N 2.86Å; I283-S286 VanDerWaalsContact O-N 3.15Å; Q284-S286 VanDerWaalsContact C-N 3.31Å; Q284-S286 PolarHBondContact O-N 2.78Å; S286-I289 PolarHBondContact O-N 3.16Å; S286-A290 WeakPolarHBondContact O-CB 3.31Å; S286-A290 PolarHBondContact O-N 2.93Å; S286-T301 VanDerWaalsContact OG-CG2 3.25Å; S286-T301 WeakPolarHBondContact OG-CG2 3.41Å; S286-T301 PolarHBondContact OG-OG1 3.4Å
287	L	98.3	Very high	97.2	Very high	38 Å²	38	35.7 Å²	35.7	20%	0.199	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-39.9	178.5	-65.9	171.2	0	0	0	111.5	I283 Q284 I289 A290 S291 L332	I283-L287 HydrophobicContact CG2-CD1 3.93Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CG 3.31Å; I283-L287 PolarHBondContact O-N 3.07Å; Q284-L287 PolarHBondContact O-N 2.83Å; L287-I289 PolarHBondContact O-N 3.41Å; L287-A290 WeakPolarHBondContact O-CB 3.32Å; L287-A290 PolarHBondContact O-N 3.49Å; L287-S291 PolarHBondContact O-N 2.88Å; L287-S291 PolarHBondContact O-OG 2.86Å; L287-L332 HydrophobicContact CD1-CB 3.84Å; L287-L332 WeakPolarHBondContact CD1-O 3.46Å
288	R	97.9	Very high	97.2	Very high	71 Å²	71	34 Å²	34	27%	0.268	17%	0.17	S	C	.	.	H	α-helix	trans	-58.3	-48	172.8	-170.9	-168.8	68.8	81	-1.7	111.3	N247 Q284 E285 A290 S291 L292	N247-R288 PolarHBondContact OD1-NH1 2.89Å; N247-R288 PolarHBondContact OD1-NH2 3.1Å; Q284-R288 WeakPolarHBondContact O-CB 3.32Å; Q284-R288 PolarHBondContact O-N 2.78Å; E285-R288 VanDerWaalsContact CD-NH2 3.32Å; E285-R288 PolarHBondContact O-N 3.12Å; E285-R288 IonicContact OE1-CZ 3.74Å; E285-R288 IonicContact OE1-NE 2.62Å; E285-R288 IonicContact OE1-NH2 3.64Å; E285-R288 PolarHBondContact OE1-NH2 3.33Å; E285-R288 IonicContact OE2-CZ 2.78Å; E285-R288 IonicContact OE2-NE 3.92Å; E285-R288 PolarHBondContact OE2-NE 2.86Å; E285-R288 IonicContact OE2-NH2 3.61Å; E285-R288 PolarHBondContact OE2-NH2 3.25Å; E285-R288 VanDerWaalsContact OE2-NH2 3.12Å; R288-A290 VanDerWaalsContact C-N 3.33Å; R288-A290 PolarHBondContact O-N 2.65Å; R288-S291 PolarHBondContact O-N 2.9Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 3.49Å
289	I	98.3	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-37.1	178.1	-70	-62.7	0	0	0	111.9	P222 N246 W253 L259 E285 S286 L287 S291 L292	P222-I289 HydrophobicContact CB-CG1 4.16Å; P222-I289 HydrophobicContact CG-CB 4.12Å; P222-I289 HydrophobicContact CG-CG1 4.02Å; P222-I289 HydrophobicContact CG-CG2 4.37Å; N246-I289 HydrophobicContact CB-CD1 3.81Å; N246-I289 HydrophobicContact CB-CG1 4.3Å; W253-I289 HydrophobicContact CB-CG2 4.35Å; W253-I289 HydrophobicContact CD2-CG2 3.63Å; W253-I289 HydrophobicContact CE3-CG2 4.26Å; W253-I289 HydrophobicContact CG-CG2 3.64Å; W253-I289 HydrophobicContact CZ2-CG2 4.22Å; L259-I289 HydrophobicContact CD1-CB 4.34Å; L259-I289 HydrophobicContact CD1-CG2 4.03Å; E285-I289 WeakPolarHBondContact O-CB 3.45Å; E285-I289 VanDerWaalsContact O-CG1 3.28Å; E285-I289 WeakPolarHBondContact O-CG1 3.3Å; E285-I289 PolarHBondContact O-N 3.05Å; S286-I289 PolarHBondContact O-N 3.16Å; L287-I289 PolarHBondContact O-N 3.41Å; I289-S291 PolarHBondContact O-N 3.45Å; I289-L292 HydrophobicContact CD1-CD1 4.3Å; I289-L292 PolarHBondContact O-N 3.21Å
290	A	98	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-39.8	176.5	0	0	0	0	0	112.2	L259 S286 L287 R288 T293 D298 L299	L259-A290 HydrophobicContact CD1-CB 3.84Å; S286-A290 WeakPolarHBondContact O-CB 3.31Å; S286-A290 PolarHBondContact O-N 2.93Å; L287-A290 WeakPolarHBondContact O-CB 3.32Å; L287-A290 PolarHBondContact O-N 3.49Å; R288-A290 VanDerWaalsContact C-N 3.33Å; R288-A290 PolarHBondContact O-N 2.65Å; A290-T293 PolarHBondContact O-OG1 3.48Å; A290-D298 HydrophobicContact CB-CB 4.48Å; A290-L299 HydrophobicContact CB-CB 4.06Å; A290-L299 WeakPolarHBondContact CB-O 3.37Å
291	S	96.4	Very high	97.3	Very high	41 Å²	41	33.8 Å²	33.8	29%	0.287	17%	0.17	S	C	.	.	H	α-helix	trans	-77.1	-23.8	180	-55.6	0	0	0	0	114.8	K36 L287 R288 I289 T293 D298	K36-S291 WeakPolarHBondContact CE-O 3.4Å; K36-S291 PolarHBondContact NZ-O 3.23Å; L287-S291 PolarHBondContact O-N 2.88Å; L287-S291 PolarHBondContact O-OG 2.86Å; R288-S291 PolarHBondContact O-N 2.9Å; I289-S291 PolarHBondContact O-N 3.45Å; S291-T293 PolarHBondContact O-N 3.24Å; S291-D298 WeakPolarHBondContact CA-OD1 3.37Å; S291-D298 WeakPolarHBondContact CB-OD1 3.3Å; S291-D298 PolarHBondContact OG-OD1 3.09Å; S291-D298 PolarHBondContact OG-OD2 3.28Å
292	L	95.4	Very high	97.3	Very high	84 Å²	84	33.1 Å²	33.1	44%	0.44	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.7	179.7	-71.5	-171.4	0	0	0	114.6	L250 R288 I289	L250-L292 WeakPolarHBondContact CD1-O 3.45Å; R288-L292 WeakPolarHBondContact O-CG 3.31Å; R288-L292 PolarHBondContact O-N 3.49Å; I289-L292 HydrophobicContact CD1-CD1 4.3Å; I289-L292 PolarHBondContact O-N 3.21Å
293	T	95.4	Very high	97.3	Very high	4 Å²	4	33 Å²	33	3%	0.025	17%	0.166	C	C	.	.	S	Bend	trans	-66.3	166.3	-178.4	69.2	0	0	0	0	112.2	K36 W253 N254 A290 S291 R295 L299	K36-T293 PolarHBondContact NZ-O 2.98Å; W253-T293 HydrophobicContact CB-CG2 3.68Å; N254-T293 WeakPolarHBondContact OD1-CA 3.36Å; N254-T293 WeakPolarHBondContact OD1-CB 3.18Å; A290-T293 PolarHBondContact O-OG1 3.48Å; S291-T293 PolarHBondContact O-N 3.24Å; T293-R295 PolarHBondContact O-N 2.77Å; T293-R295 PolarHBondContact OG1-N 2.88Å; T293-L299 HydrophobicContact CG2-CD1 3.71Å; T293-L299 HydrophobicContact CG2-CG 3.87Å
294	S	94.5	Very high	97.3	Very high	93 Å²	93	33.1 Å²	33.1	65%	0.65	17%	0.166	S	C	*	.	S	Bend	trans	-81.8	5.5	173.1	66.9	0	0	0	0	113.2	N254	N254-S294 PolarHBondContact OD1-N 3.13Å; N254-S294 PolarHBondContact OD1-OG 3.34Å
295	R	93.9	Very high	97.2	Very high	89 Å²	89	30.6 Å²	30.6	34%	0.336	15%	0.154	S	C	.	.	S	Bend	trans	-73.5	152.9	176.3	-59.9	-68.8	-175.6	169.3	-0.8	110	K36 T293 Y297 L299	K36-R295 PolarHBondContact NZ-O 3.44Å; T293-R295 PolarHBondContact O-N 2.77Å; T293-R295 PolarHBondContact OG1-N 2.88Å; R295-Y297 HydrophobicContact CB-CD2 4.43Å; R295-Y297 HydrophobicContact CB-CE2 4.38Å; R295-Y297 WeakPolarHBondContact CB-O 3.31Å; R295-Y297 PolarHBondContact O-N 3.02Å; R295-L299 HydrophobicContact CG-CD2 4.1Å
296	E	93.9	Very high	97.1	Very high	154 Å²	154	33.4 Å²	33.4	72%	0.72	17%	0.165	S	C	*	.	S	Bend	trans	-72	-15.8	174.9	-58.4	-170.1	132.3	0	0	112.8	P37	P37-E296 VanDerWaalsContact CD-O 3.29Å; P37-E296 WeakPolarHBondContact CD-O 3.33Å; P37-E296 WeakPolarHBondContact CG-O 3.41Å
297	Y	95.8	Very high	96.9	Very high	28 Å²	28	33.6 Å²	33.6	11%	0.11	17%	0.166	C	C	.	.	S	Bend	trans	-121.6	159.5	176.5	59.3	-106.5	0	0	0	111.6	P37 K39 R295 L299 E440	P37-Y297 CarbonylContact O-C 3.49Å; P37-Y297 WeakPolarHBondContact O-CA 3.44Å; P37-Y297 WeakPolarHBondContact O-CB 3.18Å; K39-Y297 HydrophobicContact CB-CD2 3.75Å; K39-Y297 HydrophobicContact CB-CE2 4.1Å; K39-Y297 HydrophobicContact CB-CG 4.2Å; K39-Y297 HydrophobicContact CD-CD2 4.23Å; K39-Y297 HydrophobicContact CD-CE2 3.69Å; K39-Y297 HydrophobicContact CG-CD2 4.15Å; K39-Y297 HydrophobicContact CG-CE2 4.09Å; K39-Y297 HydrophobicContact CG-CG 4.49Å; K39-Y297 PolarHBondContact NZ-OH 3.49Å; R295-Y297 HydrophobicContact CB-CD2 4.43Å; R295-Y297 HydrophobicContact CB-CE2 4.38Å; R295-Y297 WeakPolarHBondContact CB-O 3.31Å; R295-Y297 PolarHBondContact O-N 3.02Å; Y297-L299 HydrophobicContact CE2-CD2 4.02Å; Y297-E440 WeakPolarHBondContact CD1-OE2 3.23Å
298	D	97.7	Very high	96.7	Very high	13 Å²	13	32 Å²	32	7%	0.07	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-69.2	128.1	168.5	-73.4	-22.3	0	0	0	110.6	K36 P37 A290 S291 H437	K36-D298 WeakPolarHBondContact CB-OD1 3.22Å; P37-D298 PolarHBondContact O-N 3.3Å; A290-D298 HydrophobicContact CB-CB 4.48Å; S291-D298 WeakPolarHBondContact CA-OD1 3.37Å; S291-D298 WeakPolarHBondContact CB-OD1 3.3Å; S291-D298 PolarHBondContact OG-OD1 3.09Å; S291-D298 PolarHBondContact OG-OD2 3.28Å; D298-H437 IonicContact OD2-CE1 3.81Å; D298-H437 PolarHBondContact OD2-CE1 2.96Å; D298-H437 IonicContact OD2-NE2 2.73Å; D298-H437 PolarHBondContact OD2-NE2 2.81Å; D298-H437 VanDerWaalsContact OD2-NE2 3.15Å
299	L	98.4	Very high	96.6	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-56.5	132.1	175	-68.4	-172.1	0	0	0	111	L259 A290 T293 R295 Y297 T301	L259-L299 HydrophobicContact CD2-CD1 4.07Å; L259-L299 HydrophobicContact CG-CB 4.29Å; L259-L299 HydrophobicContact CG-CD1 4.19Å; A290-L299 HydrophobicContact CB-CB 4.06Å; A290-L299 WeakPolarHBondContact CB-O 3.37Å; T293-L299 HydrophobicContact CG2-CD1 3.71Å; T293-L299 HydrophobicContact CG2-CG 3.87Å; R295-L299 HydrophobicContact CG-CD2 4.1Å; Y297-L299 HydrophobicContact CE2-CD2 4.02Å; L299-T301 PolarHBondContact O-N 2.88Å
300	P	98.6	Very high	96.4	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.032	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66	126.4	176.8	29.8	-36.5	0	0	0	110.2	K39 L215 T257 A258 L259 Y302 A335	K39-P300 HydrophobicContact CB-CG 4.42Å; K39-P300 HydrophobicContact CD-CG 3.97Å; L215-P300 HydrophobicContact CD1-CG 4.27Å; L215-P300 HydrophobicContact CD2-CG 4.16Å; T257-P300 WeakPolarHBondContact O-CD 3.46Å; A258-P300 WeakPolarHBondContact CA-O 3.37Å; A258-P300 HydrophobicContact CB-CG 4.1Å; A258-P300 WeakPolarHBondContact CB-O 3.36Å; L259-P300 PolarHBondContact N-O 2.78Å; P300-Y302 HydrophobicContact CB-CE2 3.76Å; P300-Y302 HydrophobicContact CG-CE2 4.08Å; P300-A335 HydrophobicContact CB-CB 3.74Å
301	T	98.8	Very high	96.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-93.9	126.4	176	-66.8	0	0	0	0	110.3	P261 S286 L299 V303 A335	P261-T301 HydrophobicContact CG-CG2 3.7Å; S286-T301 VanDerWaalsContact OG-CG2 3.25Å; S286-T301 WeakPolarHBondContact OG-CG2 3.41Å; S286-T301 PolarHBondContact OG-OG1 3.4Å; L299-T301 PolarHBondContact O-N 2.88Å; T301-V303 HydrophobicContact CG2-CG2 4.05Å; T301-A335 PolarHBondContact O-N 2.9Å
302	Y	98.8	Very high	96.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.7	172	-62.9	-88.7	0	0	0	110.4	L42 I49 L142 L215 A258 L259 F260 P300 Y304 A335 G336	L42-Y302 WeakPolarHBondContact CB-OH 3.39Å; I49-Y302 HydrophobicContact CD1-CD1 4.35Å; I49-Y302 HydrophobicContact CD1-CE1 3.6Å; I49-Y302 HydrophobicContact CG1-CD1 4.24Å; I49-Y302 HydrophobicContact CG1-CE1 3.7Å; L142-Y302 HydrophobicContact CD1-CD1 4.18Å; L142-Y302 HydrophobicContact CD1-CG 4.21Å; L142-Y302 HydrophobicContact CD2-CD1 4.37Å; L142-Y302 HydrophobicContact CD2-CD2 3.94Å; L142-Y302 HydrophobicContact CD2-CE1 4.24Å; L142-Y302 HydrophobicContact CD2-CE2 3.79Å; L142-Y302 HydrophobicContact CD2-CG 4.23Å; L215-Y302 HydrophobicContact CD1-CE2 3.64Å; L215-Y302 WeakPolarHBondContact CD1-OH 3.48Å; A258-Y302 HydrophobicContact CB-CD2 4.18Å; A258-Y302 HydrophobicContact CB-CE2 4.28Å; L259-Y302 PolarHBondContact O-N 2.66Å; F260-Y302 WeakPolarHBondContact CA-O 3.34Å; F260-Y302 HydrophobicContact CE1-CD2 4.01Å; F260-Y302 HydrophobicContact CE1-CG 4.24Å; P300-Y302 HydrophobicContact CB-CE2 3.76Å; P300-Y302 HydrophobicContact CG-CE2 4.08Å; Y302-Y304 PolarHBondContact O-N 3.02Å; Y302-A335 HydrophobicContact CD1-CB 4.38Å; Y302-A335 HydrophobicContact CE1-CB 3.81Å; Y302-A335 HydrophobicContact CE2-CB 4.1Å; Y302-G336 WeakPolarHBondContact CA-O 3.44Å
303	V	98.8	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.7	-170.2	-174.3	0	0	0	0	110.9	P261 V263 I283 T301 L305 A334 G336 F337 I338	P261-V303 HydrophobicContact CG-CG2 4.26Å; V263-V303 HydrophobicContact CB-CG1 4.31Å; V263-V303 HydrophobicContact CG1-CG1 3.92Å; V263-V303 HydrophobicContact CG2-CG1 3.49Å; V263-V303 VanDerWaalsContact CG2-CG1 3.49Å; I283-V303 HydrophobicContact CG1-CG1 4.45Å; I283-V303 HydrophobicContact CG1-CG2 4.11Å; T301-V303 HydrophobicContact CG2-CG2 4.05Å; V303-L305 HydrophobicContact CG1-CD2 4.47Å; V303-A334 HydrophobicContact CG2-CB 4.13Å; V303-G336 PolarHBondContact N-O 3.37Å; V303-F337 CarbonylContact O-C 3.4Å; V303-F337 WeakPolarHBondContact O-CA 3.41Å; V303-F337 WeakPolarHBondContact O-CB 3.48Å; V303-I338 PolarHBondContact O-N 2.8Å
304	Y	98.6	Very high	95.9	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.4	174.7	-98.7	-99.6	0	0	0	111.8	N53 V144 Y219 F260 P261 V263 Y302 I338 W340	N53-Y304 PolarHBondContact ND2-OH 3.27Å; V144-Y304 HydrophobicContact CB-CE2 4.48Å; V144-Y304 HydrophobicContact CG1-CE2 3.83Å; V144-Y304 WeakPolarHBondContact CG1-OH 3.08Å; V144-Y304 HydrophobicContact CG2-CE2 4.05Å; V144-Y304 WeakPolarHBondContact CG2-OH 3.37Å; Y219-Y304 AromaticContact CD2-CD1 3.77Å; Y219-Y304 HydrophobicContact CD2-CD1 3.77Å; Y219-Y304 AromaticContact CD2-CD2 3.87Å; Y219-Y304 HydrophobicContact CD2-CD2 3.87Å; Y219-Y304 HydrophobicContact CD2-CE1 4.12Å; Y219-Y304 HydrophobicContact CD2-CE2 4.21Å; Y219-Y304 AromaticContact CD2-CG 3.64Å; Y219-Y304 HydrophobicContact CD2-CG 3.64Å; Y219-Y304 AromaticContact CE2-CD1 3.69Å; Y219-Y304 HydrophobicContact CE2-CD1 3.69Å; Y219-Y304 HydrophobicContact CE2-CD2 4.37Å; Y219-Y304 HydrophobicContact CE2-CE1 4.39Å; Y219-Y304 AromaticContact CE2-CG 3.68Å; Y219-Y304 HydrophobicContact CE2-CG 3.68Å; F260-Y304 HydrophobicContact CB-CD2 3.96Å; F260-Y304 HydrophobicContact CB-CE2 4.03Å; F260-Y304 HydrophobicContact CD1-CD2 4.24Å; F260-Y304 AromaticContact CD1-CE2 3.86Å; F260-Y304 HydrophobicContact CD1-CE2 3.86Å; F260-Y304 HydrophobicContact CG-CE2 4.18Å; P261-Y304 PolarHBondContact O-N 3.19Å; V263-Y304 PolarHBondContact N-O 2.99Å; Y302-Y304 PolarHBondContact O-N 3.02Å; Y304-I338 WeakPolarHBondContact CA-O 3.42Å; Y304-I338 HydrophobicContact CD1-CB 4.44Å; Y304-I338 HydrophobicContact CD1-CG2 4.34Å; Y304-I338 HydrophobicContact CD2-CB 4.22Å; Y304-I338 HydrophobicContact CD2-CD1 3.64Å; Y304-I338 HydrophobicContact CE1-CB 4.37Å; Y304-I338 HydrophobicContact CE1-CG2 3.88Å; Y304-I338 HydrophobicContact CE2-CB 4.16Å; Y304-I338 HydrophobicContact CE2-CD1 3.21Å; Y304-I338 HydrophobicContact CE2-CG1 4.29Å; Y304-I338 HydrophobicContact CE2-CG2 4.26Å; Y304-I338 HydrophobicContact CG-CB 4.36Å; Y304-W340 HydrophobicContact CD1-CB 3.76Å; Y304-W340 HydrophobicContact CD1-CG 4.43Å; Y304-W340 HydrophobicContact CE1-CB 3.82Å; Y304-W340 HydrophobicContact CE1-CG 4.24Å
305	L	96.7	Very high	95.9	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.1	-176.1	-64.1	174.8	0	0	0	111.1	V263 V303 T325 I326 F337 I338 W340	V263-L305 HydrophobicContact CB-CD2 4.45Å; V263-L305 HydrophobicContact CG2-CD2 3.11Å; V263-L305 HydrophobicContact CG2-CG 4.32Å; V303-L305 HydrophobicContact CG1-CD2 4.47Å; L305-T325 HydrophobicContact CD2-CG2 4.22Å; L305-I326 HydrophobicContact CD1-CB 4.43Å; L305-I326 HydrophobicContact CD1-CD1 4.12Å; L305-I326 HydrophobicContact CD1-CG1 3.27Å; L305-F337 HydrophobicContact CD1-CB 3.73Å; L305-F337 HydrophobicContact CD1-CD2 3.71Å; L305-F337 HydrophobicContact CD1-CG 3.93Å; L305-F337 HydrophobicContact CG-CB 4.46Å; L305-I338 PolarHBondContact N-O 2.96Å; L305-W340 PolarHBondContact O-N 3.22Å
306	R	96	Very high	96.1	Very high	63 Å²	63	32.3 Å²	32.3	24%	0.238	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.8	169.2	-68.9	-174.2	175.2	-153.3	-4.5	109.6	A264 G308 R310 W340	A264-R306 HydrophobicContact CB-CG 4.45Å; R306-G308 VanDerWaalsContact C-N 3.34Å; R306-G308 WeakPolarHBondContact CB-O 3.16Å; R306-R310 PolarHBondContact NH1-O 3.42Å; R306-W340 HydrophobicContact CG-CE3 4.2Å; R306-W340 VanDerWaalsContact CZ-CZ3 3.43Å
307	L	94.7	Very high	96.3	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.026	12%	0.123	C	C	.	.	S	Bend	trans	-65	-40.5	173.1	-68.2	176.7	0	0	0	112.4	W52 F316 L317 I339 L345 V355 F358 L359 L363	W52-L307 HydrophobicContact CH2-CD1 3.74Å; W52-L307 HydrophobicContact CH2-CD2 4.25Å; W52-L307 HydrophobicContact CH2-CG 4.38Å; W52-L307 HydrophobicContact CZ3-CD1 4.29Å; W52-L307 HydrophobicContact CZ3-CD2 3.97Å; W52-L307 HydrophobicContact CZ3-CG 4.46Å; L307-F316 HydrophobicContact CB-CD1 3.93Å; L307-F316 HydrophobicContact CB-CE1 4.18Å; L307-F316 VanDerWaalsContact O-CA 3.31Å; L307-F316 WeakPolarHBondContact O-CA 3.26Å; L307-L317 WeakPolarHBondContact O-CG 3.37Å; L307-L317 PolarHBondContact O-N 2.98Å; L307-I339 HydrophobicContact CD2-CD1 3.94Å; L307-I339 HydrophobicContact CD2-CG2 3.53Å; L307-I339 HydrophobicContact CG-CG2 3.61Å; L307-L345 HydrophobicContact CD1-CD1 3.83Å; L307-V355 HydrophobicContact CD1-CG1 4.05Å; L307-F358 HydrophobicContact CB-CE1 4.35Å; L307-F358 HydrophobicContact CD2-CD1 4.07Å; L307-F358 HydrophobicContact CD2-CE1 3.94Å; L307-L359 HydrophobicContact CD2-CD2 4.5Å; L307-L363 HydrophobicContact CD2-CD2 3.27Å
308	G	94.8	Very high	96.4	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-175.7	174.1	0	0	0	0	0	112.2	R306 A315	R306-G308 VanDerWaalsContact C-N 3.34Å; R306-G308 WeakPolarHBondContact CB-O 3.16Å; G308-A315 WeakPolarHBondContact CA-O 3.36Å
309	Y	95.9	Very high	96.4	Very high	7 Å²	7	28 Å²	28	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	156.4	178.7	-59.9	-80	0	0	0	111.5	I265 R266 K267 S270 D311 D312 A315 L317 D321	I265-Y309 HydrophobicContact CD1-CD1 4.28Å; I265-Y309 HydrophobicContact CD1-CE1 4.02Å; I265-Y309 HydrophobicContact CG1-CD1 4.11Å; I265-Y309 HydrophobicContact CG1-CE1 4.37Å; R266-Y309 VanDerWaalsContact C-CD1 3.47Å; K267-Y309 VanDerWaalsContact CA-CG 3.41Å; K267-Y309 HydrophobicContact CB-CD1 4.33Å; K267-Y309 HydrophobicContact CB-CD2 3.79Å; K267-Y309 HydrophobicContact CB-CG 3.67Å; K267-Y309 HydrophobicContact CD-CD2 4.46Å; K267-Y309 HydrophobicContact CG-CD2 3.77Å; K267-Y309 HydrophobicContact CG-CE2 4.23Å; K267-Y309 HydrophobicContact CG-CG 4.19Å; S270-Y309 WeakPolarHBondContact CB-OH 3.5Å; S270-Y309 PolarHBondContact OG-OH 3.07Å; Y309-D311 PolarHBondContact O-N 3.33Å; Y309-D312 PolarHBondContact N-O 2.96Å; Y309-D312 VanDerWaalsContact N-O 3.11Å; Y309-D312 CarbonylContact O-C 3.5Å; Y309-D312 PolarHBondContact O-N 3.42Å; Y309-D312 VanDerWaalsContact O-N 3.1Å; Y309-D312 VanDerWaalsContact O-O 3.09Å; Y309-A315 HydrophobicContact CD2-CB 3.82Å; Y309-A315 WeakPolarHBondContact CD2-O 3.26Å; Y309-A315 HydrophobicContact CE2-CB 4.29Å; Y309-A315 WeakPolarHBondContact CE2-O 3.31Å; Y309-A315 PolarHBondContact N-O 2.91Å; Y309-L317 HydrophobicContact CD1-CD2 3.63Å; Y309-L317 HydrophobicContact CD2-CD2 4.4Å; Y309-L317 HydrophobicContact CE1-CD2 3.47Å; Y309-L317 VanDerWaalsContact CE1-CD2 3.47Å; Y309-L317 HydrophobicContact CE2-CD2 4.25Å; Y309-L317 HydrophobicContact CG-CD2 4.1Å; Y309-D321 PolarHBondContact OH-OD2 3.23Å
310	R	93.3	Very high	96.4	Very high	116 Å²	116	32.6 Å²	32.6	44%	0.438	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.3	-179.3	178.6	-179.3	169.9	-179.2	-0.7	112.8	A264 I265 R306	A264-R310 HydrophobicContact CB-CB 4.18Å; A264-R310 HydrophobicContact CB-CG 4.43Å; I265-R310 WeakPolarHBondContact O-CB 3.48Å; I265-R310 PolarHBondContact O-N 2.76Å; R306-R310 PolarHBondContact NH1-O 3.42Å
311	D	93.6	Very high	96.4	Very high	99 Å²	99	32.3 Å²	32.3	53%	0.529	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.9	-176.8	52.5	-49.2	0	0	0	113.8	R266 K267 Y309	R266-D311 WeakPolarHBondContact CA-OD1 3.39Å; K267-D311 WeakPolarHBondContact CB-OD2 3.33Å; K267-D311 PolarHBondContact N-OD1 3.42Å; Y309-D311 PolarHBondContact O-N 3.33Å
312	D	94.2	Very high	96.4	Very high	52 Å²	52	32.5 Å²	32.5	28%	0.278	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	98.1	178.1	-176.1	-12.2	0	0	0	110.4	K267 Y309 L314 A315	K267-D312 HydrophobicContact CD-CB 3.95Å; K267-D312 IonicContact NZ-OD2 2.71Å; K267-D312 PolarHBondContact NZ-OD2 3.49Å; Y309-D312 PolarHBondContact N-O 2.96Å; Y309-D312 VanDerWaalsContact N-O 3.11Å; Y309-D312 CarbonylContact O-C 3.5Å; Y309-D312 PolarHBondContact O-N 3.42Å; Y309-D312 VanDerWaalsContact O-N 3.1Å; Y309-D312 VanDerWaalsContact O-O 3.09Å; D312-L314 VanDerWaalsContact C-N 3.26Å; D312-L314 PolarHBondContact O-N 3Å; D312-L314 PolarHBondContact OD1-N 2.85Å; D312-A315 HydrophobicContact CB-CB 3.9Å; D312-A315 PolarHBondContact O-N 2.93Å; D312-A315 PolarHBondContact OD1-N 3.23Å; D312-A315 VanDerWaalsContact OD1-N 3.13Å; D312-A315 VanDerWaalsContact OD2-CB 3.28Å; D312-A315 WeakPolarHBondContact OD2-CB 3.5Å
313	A	91.9	Very high	96.4	Very high	18 Å²	18	34.2 Å²	34.2	15%	0.149	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-21.5	-172.2	0	0	0	0	0	114.3	L345	A313-L345 HydrophobicContact CB-CD2 4.09Å; A313-L345 WeakPolarHBondContact O-CD2 3.5Å
314	L	94.3	Very high	96.3	Very high	46 Å²	46	34.8 Å²	34.8	24%	0.241	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-13	-179.4	-64.4	173.8	0	0	0	112.7	D312 F316 L345 N351	D312-L314 VanDerWaalsContact C-N 3.26Å; D312-L314 PolarHBondContact O-N 3Å; D312-L314 PolarHBondContact OD1-N 2.85Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 HydrophobicContact CD2-CE1 4.4Å; L314-F316 HydrophobicContact CD2-CZ 4.23Å; L314-F316 PolarHBondContact O-N 3.38Å; L314-L345 HydrophobicContact CD2-CD2 4.09Å; L314-N351 WeakPolarHBondContact CD1-ND2 3.32Å; L314-N351 HydrophobicContact CD2-CB 4.12Å
315	A	95.9	Very high	96.3	Very high	20 Å²	20	34.6 Å²	34.6	17%	0.165	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	85.5	164	0	0	0	0	0	109.7	K267 G308 Y309 D312	K267-A315 HydrophobicContact CD-CB 3.97Å; G308-A315 WeakPolarHBondContact CA-O 3.36Å; Y309-A315 HydrophobicContact CD2-CB 3.82Å; Y309-A315 WeakPolarHBondContact CD2-O 3.26Å; Y309-A315 HydrophobicContact CE2-CB 4.29Å; Y309-A315 WeakPolarHBondContact CE2-O 3.31Å; Y309-A315 PolarHBondContact N-O 2.91Å; D312-A315 HydrophobicContact CB-CB 3.9Å; D312-A315 PolarHBondContact O-N 2.93Å; D312-A315 PolarHBondContact OD1-N 3.23Å; D312-A315 VanDerWaalsContact OD1-N 3.13Å; D312-A315 VanDerWaalsContact OD2-CB 3.28Å; D312-A315 WeakPolarHBondContact OD2-CB 3.5Å
316	F	97	Very high	96.4	Very high	31 Å²	31	34.5 Å²	34.5	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	146.3	-176.7	-55.8	-44.4	0	0	0	113.6	L307 L314 L345 L354 V355 F358	L307-F316 HydrophobicContact CB-CD1 3.93Å; L307-F316 HydrophobicContact CB-CE1 4.18Å; L307-F316 VanDerWaalsContact O-CA 3.31Å; L307-F316 WeakPolarHBondContact O-CA 3.26Å; L314-F316 VanDerWaalsContact C-N 3.29Å; L314-F316 HydrophobicContact CD2-CE1 4.4Å; L314-F316 HydrophobicContact CD2-CZ 4.23Å; L314-F316 PolarHBondContact O-N 3.38Å; F316-L345 HydrophobicContact CE1-CD2 4.38Å; F316-L354 HydrophobicContact CE2-CB 3.88Å; F316-L354 WeakPolarHBondContact CE2-O 3.43Å; F316-L354 HydrophobicContact CZ-CB 4.17Å; F316-V355 HydrophobicContact CE1-CG2 4.19Å; F316-V355 HydrophobicContact CZ-CB 4.38Å; F316-V355 HydrophobicContact CZ-CG2 3.7Å; F316-F358 HydrophobicContact CB-CD1 3.96Å; F316-F358 HydrophobicContact CB-CD2 3.6Å; F316-F358 HydrophobicContact CB-CE1 3.9Å; F316-F358 HydrophobicContact CB-CE2 3.54Å; F316-F358 HydrophobicContact CB-CG 3.82Å; F316-F358 HydrophobicContact CB-CZ 3.71Å; F316-F358 HydrophobicContact CD1-CD1 4.19Å; F316-F358 HydrophobicContact CD1-CG 4.47Å; F316-F358 HydrophobicContact CD2-CB 3.48Å; F316-F358 VanDerWaalsContact CD2-CB 3.48Å; F316-F358 HydrophobicContact CD2-CD1 4.12Å; F316-F358 AromaticContact CD2-CD2 3.91Å; F316-F358 HydrophobicContact CD2-CD2 3.91Å; F316-F358 AromaticContact CD2-CG 3.58Å; F316-F358 HydrophobicContact CD2-CG 3.58Å; F316-F358 HydrophobicContact CE2-CB 3.7Å; F316-F358 HydrophobicContact CE2-CG 4.24Å; F316-F358 HydrophobicContact CG-CB 4.11Å; F316-F358 AromaticContact CG-CD1 3.84Å; F316-F358 HydrophobicContact CG-CD1 3.84Å; F316-F358 AromaticContact CG-CD2 3.99Å; F316-F358 HydrophobicContact CG-CD2 3.99Å; F316-F358 HydrophobicContact CG-CE1 4.22Å; F316-F358 HydrophobicContact CG-CE2 4.36Å; F316-F358 AromaticContact CG-CG 3.71Å; F316-F358 HydrophobicContact CG-CG 3.71Å; F316-F358 HydrophobicContact CG-CZ 4.48Å; F316-F358 HydrophobicContact CZ-CB 4.5Å
317	L	97.9	Very high	96.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-57.2	142.4	-177.2	-60.5	-173.4	0	0	0	112	I265 L307 Y309 D321 L322 F358 R362	I265-L317 HydrophobicContact CD1-CD1 4.28Å; I265-L317 HydrophobicContact CD1-CD2 3.67Å; I265-L317 HydrophobicContact CG1-CD2 3.95Å; L307-L317 WeakPolarHBondContact O-CG 3.37Å; L307-L317 PolarHBondContact O-N 2.98Å; Y309-L317 HydrophobicContact CD1-CD2 3.63Å; Y309-L317 HydrophobicContact CD2-CD2 4.4Å; Y309-L317 HydrophobicContact CE1-CD2 3.47Å; Y309-L317 VanDerWaalsContact CE1-CD2 3.47Å; Y309-L317 HydrophobicContact CE2-CD2 4.25Å; Y309-L317 HydrophobicContact CG-CD2 4.1Å; L317-D321 HydrophobicContact CB-CB 4.31Å; L317-D321 HydrophobicContact CD2-CB 4.46Å; L317-L322 HydrophobicContact CB-CD2 4Å; L317-L322 HydrophobicContact CB-CG 4.14Å; L317-L322 HydrophobicContact CD1-CD2 4.18Å; L317-F358 WeakPolarHBondContact O-CE2 3.09Å; L317-R362 PolarHBondContact O-NH1 3.37Å
318	T	98.2	Very high	96.8	Very high	28 Å²	28	31.2 Å²	31.2	17%	0.172	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-74	167.3	172.8	69.5	0	0	0	0	110.4	N271 K320 D321 L322	N271-T318 VanDerWaalsContact OD1-CB 3.22Å; N271-T318 WeakPolarHBondContact OD1-CB 3.27Å; N271-T318 WeakPolarHBondContact OD1-CG2 3.48Å; N271-T318 PolarHBondContact OD1-OG1 3.37Å; T318-K320 PolarHBondContact O-N 3.36Å; T318-K320 PolarHBondContact OG1-N 3.13Å; T318-D321 PolarHBondContact O-N 3.16Å; T318-D321 PolarHBondContact OG1-N 2.92Å; T318-D321 VanDerWaalsContact OG1-N 3.08Å; T318-D321 PolarHBondContact OG1-OD2 3.09Å; T318-L322 VanDerWaalsContact O-CG 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.4Å; T318-L322 PolarHBondContact O-N 3.16Å
319	T	97.9	Very high	97	Very high	72 Å²	72	31 Å²	31	44%	0.442	16%	0.159	S	C	.	.	H	α-helix	trans	-59	-38.9	173.6	-53.3	0	0	0	0	111.7	L322 I323	T319-L322 PolarHBondContact O-N 2.9Å; T319-I323 HydrophobicContact CG2-CD1 4.32Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.08Å; T319-I323 PolarHBondContact O-N 2.02Å
320	K	98.3	Very high	97.1	Very high	100 Å²	100	30.9 Å²	30.9	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-65	-41.3	178.5	-167.6	178.9	-177.6	-169.9	0	111.8	N271 T318 I323 H324	N271-K320 HydrophobicContact CB-CD 3.99Å; N271-K320 WeakPolarHBondContact O-CD 3.3Å; N271-K320 WeakPolarHBondContact O-CE 3.34Å; N271-K320 PolarHBondContact O-NZ 3.29Å; N271-K320 WeakPolarHBondContact OD1-CB 3.49Å; T318-K320 PolarHBondContact O-N 3.36Å; T318-K320 PolarHBondContact OG1-N 3.13Å; K320-I323 WeakPolarHBondContact O-CB 3.29Å; K320-I323 PolarHBondContact O-N 2.82Å; K320-H324 PolarHBondContact O-N 3.32Å
321	D	98.4	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-73.6	-29.3	177.3	-74.9	-40	0	0	0	112.9	I265 S270 N271 N275 Y309 L317 T318 I323 H324 T325	I265-D321 HydrophobicContact CD1-CB 3.67Å; S270-D321 WeakPolarHBondContact CA-OD2 3.37Å; N271-D321 PolarHBondContact N-OD1 3.12Å; N271-D321 PolarHBondContact N-OD2 2.99Å; N275-D321 PolarHBondContact ND2-OD1 2.79Å; Y309-D321 PolarHBondContact OH-OD2 3.23Å; L317-D321 HydrophobicContact CB-CB 4.31Å; L317-D321 HydrophobicContact CD2-CB 4.46Å; T318-D321 PolarHBondContact O-N 3.16Å; T318-D321 PolarHBondContact OG1-N 2.92Å; T318-D321 VanDerWaalsContact OG1-N 3.08Å; T318-D321 PolarHBondContact OG1-OD2 3.09Å; D321-I323 VanDerWaalsContact C-N 3.3Å; D321-H324 PolarHBondContact O-N 2.99Å; D321-H324 IonicContact OD1-ND1 2.62Å; D321-T325 WeakPolarHBondContact O-CB 3.29Å; D321-T325 WeakPolarHBondContact O-CG2 3.44Å; D321-T325 PolarHBondContact O-N 3.36Å; D321-T325 VanDerWaalsContact O-N 3.07Å; D321-T325 PolarHBondContact O-OG1 3.41Å
322	L	98.7	Very high	97.6	Very high	4 Å²	4	21 Å²	21	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-37.8	167.3	-68.2	173	0	0	0	111.3	L317 T318 T319 T325 I326 G327 F358 R362 L363 Y366	L317-L322 HydrophobicContact CB-CD2 4Å; L317-L322 HydrophobicContact CB-CG 4.14Å; L317-L322 HydrophobicContact CD1-CD2 4.18Å; T318-L322 VanDerWaalsContact O-CG 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.4Å; T318-L322 PolarHBondContact O-N 3.16Å; T319-L322 PolarHBondContact O-N 2.9Å; L322-T325 PolarHBondContact O-N 3.02Å; L322-T325 PolarHBondContact O-OG1 3.03Å; L322-I326 HydrophobicContact CD2-CD1 3.91Å; L322-I326 WeakPolarHBondContact O-CB 3.37Å; L322-I326 PolarHBondContact O-N 3.18Å; L322-G327 PolarHBondContact O-N 2.62Å; L322-G327 VanDerWaalsContact O-N 3.13Å; L322-F358 HydrophobicContact CD1-CZ 4.47Å; L322-R362 HydrophobicContact CD1-CG 4.13Å; L322-L363 HydrophobicContact CD1-CD1 4.36Å; L322-L363 HydrophobicContact CD2-CD1 3.86Å; L322-Y366 HydrophobicContact CB-CD1 3.9Å; L322-Y366 HydrophobicContact CB-CD2 4.31Å; L322-Y366 HydrophobicContact CB-CE1 3.98Å; L322-Y366 HydrophobicContact CB-CE2 4.35Å; L322-Y366 HydrophobicContact CB-CG 4.08Å; L322-Y366 HydrophobicContact CD1-CD1 4.39Å; L322-Y366 HydrophobicContact CD1-CG 4.13Å; L322-Y366 PolarHBondContact O-OH 3.07Å
323	I	98.6	Very high	97.8	Very high	40 Å²	40	18.7 Å²	18.7	21%	0.205	10%	0.103	C	C	.	.	I	π-helix	trans	-63.9	-50.2	172.7	-65.8	166.1	0	0	0	111.3	T319 K320 D321 T325 G327 E328 Y366 Y398	T319-I323 HydrophobicContact CG2-CD1 4.32Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.08Å; T319-I323 PolarHBondContact O-N 2.02Å; K320-I323 WeakPolarHBondContact O-CB 3.29Å; K320-I323 PolarHBondContact O-N 2.82Å; D321-I323 VanDerWaalsContact C-N 3.3Å; I323-T325 PolarHBondContact O-N 2.77Å; I323-T325 VanDerWaalsContact O-N 3.13Å; I323-G327 CarbonylContact O-C 3.56Å; I323-G327 VanDerWaalsContact O-CA 3.27Å; I323-G327 WeakPolarHBondContact O-CA 3.38Å; I323-G327 PolarHBondContact O-N 2.7Å; I323-E328 PolarHBondContact O-N 3.15Å; I323-Y366 VanDerWaalsContact CA-OH 3.29Å; I323-Y366 WeakPolarHBondContact CA-OH 3.27Å; I323-Y366 HydrophobicContact CG1-CE2 3.61Å; I323-Y398 HydrophobicContact CG2-CD1 3.92Å; I323-Y398 HydrophobicContact CG2-CD2 3.72Å; I323-Y398 HydrophobicContact CG2-CE1 3.66Å; I323-Y398 HydrophobicContact CG2-CE2 3.47Å; I323-Y398 VanDerWaalsContact CG2-CE2 3.47Å; I323-Y398 HydrophobicContact CG2-CG 3.94Å; I323-Y398 VanDerWaalsContact CG2-CZ 3.43Å
324	H	98.3	Very high	98.1	Very high	12 Å²	12	18 Å²	18	6%	0.056	10%	0.097	C	C	.	.	I	π-helix	trans	-64.5	-16	179.4	-65.1	170.2	0	0	0	114.1	S272 W276 A279 K320 D321 E328	S272-H324 PolarHBondContact O-CE1 3.35Å; S272-H324 PolarHBondContact O-ND1 3.22Å; W276-H324 HydrophobicContact CB-CB 4.17Å; W276-H324 AromaticContact CD1-CD2 3.94Å; A279-H324 WeakPolarHBondContact CB-O 3.44Å; K320-H324 PolarHBondContact O-N 3.32Å; D321-H324 PolarHBondContact O-N 2.99Å; D321-H324 IonicContact OD1-ND1 2.62Å; H324-E328 WeakPolarHBondContact O-CB 3.26Å
325	T	98.6	Very high	98.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-110.9	-73.5	-178.2	54	0	0	0	0	112.2	V263 I265 A279 L305 D321 L322 I323 S329	V263-T325 HydrophobicContact CG2-CG2 4.26Å; I265-T325 HydrophobicContact CD1-CG2 4.01Å; I265-T325 HydrophobicContact CG1-CG2 4.4Å; I265-T325 HydrophobicContact CG2-CG2 4.25Å; A279-T325 HydrophobicContact CB-CG2 4.49Å; L305-T325 HydrophobicContact CD2-CG2 4.22Å; D321-T325 WeakPolarHBondContact O-CB 3.29Å; D321-T325 WeakPolarHBondContact O-CG2 3.44Å; D321-T325 PolarHBondContact O-N 3.36Å; D321-T325 VanDerWaalsContact O-N 3.07Å; D321-T325 PolarHBondContact O-OG1 3.41Å; L322-T325 PolarHBondContact O-N 3.02Å; L322-T325 PolarHBondContact O-OG1 3.03Å; I323-T325 PolarHBondContact O-N 2.77Å; I323-T325 VanDerWaalsContact O-N 3.13Å; T325-S329 WeakPolarHBondContact O-CB 3.16Å; T325-S329 PolarHBondContact O-N 3.22Å; T325-S329 PolarHBondContact O-OG 3.19Å
326	I	98.8	Very high	98.4	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.079	C	C	.	.	I	π-helix	trans	-67.3	-46.7	-179.3	-62.8	172.6	0	0	0	110.4	F48 L305 L322 E328 S329 A330 F337 L363 Y366 V370	F48-I326 HydrophobicContact CE1-CG2 3.85Å; F48-I326 HydrophobicContact CZ-CG2 4.09Å; L305-I326 HydrophobicContact CD1-CB 4.43Å; L305-I326 HydrophobicContact CD1-CD1 4.12Å; L305-I326 HydrophobicContact CD1-CG1 3.27Å; L322-I326 HydrophobicContact CD2-CD1 3.91Å; L322-I326 WeakPolarHBondContact O-CB 3.37Å; L322-I326 PolarHBondContact O-N 3.18Å; I326-E328 PolarHBondContact O-N 3.26Å; I326-S329 WeakPolarHBondContact O-CB 3.37Å; I326-S329 PolarHBondContact O-N 3.34Å; I326-A330 PolarHBondContact O-N 3.34Å; I326-F337 HydrophobicContact CD1-CD2 4.26Å; I326-F337 HydrophobicContact CD1-CE2 3.88Å; I326-F337 HydrophobicContact CD1-CZ 4.03Å; I326-F337 HydrophobicContact CG1-CD1 4.5Å; I326-F337 HydrophobicContact CG1-CD2 4.19Å; I326-F337 HydrophobicContact CG1-CE2 4.28Å; I326-F337 HydrophobicContact CG1-CG 4.28Å; I326-F337 HydrophobicContact CG1-CZ 4.47Å; I326-F337 HydrophobicContact CG2-CD1 3.84Å; I326-F337 HydrophobicContact CG2-CE1 3.68Å; I326-F337 HydrophobicContact CG2-CG 4.42Å; I326-F337 HydrophobicContact CG2-CZ 4.17Å; I326-L363 HydrophobicContact CD1-CD1 4.09Å; I326-Y366 HydrophobicContact CB-CD1 4.47Å; I326-Y366 HydrophobicContact CB-CE1 3.73Å; I326-Y366 HydrophobicContact CD1-CD1 4.27Å; I326-Y366 HydrophobicContact CD1-CE1 4.35Å; I326-Y366 HydrophobicContact CG2-CD1 4.41Å; I326-Y366 HydrophobicContact CG2-CE1 3.77Å; I326-V370 HydrophobicContact CG2-CG1 3.82Å
327	G	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-60.8	-45.5	179.8	0	0	0	0	0	112.1	L322 I323 S329 A330 A331 Y366	L322-G327 PolarHBondContact O-N 2.62Å; L322-G327 VanDerWaalsContact O-N 3.13Å; I323-G327 CarbonylContact O-C 3.56Å; I323-G327 VanDerWaalsContact O-CA 3.27Å; I323-G327 WeakPolarHBondContact O-CA 3.38Å; I323-G327 PolarHBondContact O-N 2.7Å; G327-S329 VanDerWaalsContact C-N 3.34Å; G327-S329 PolarHBondContact O-N 2.99Å; G327-A330 PolarHBondContact O-N 3.3Å; G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 3.11Å; G327-Y366 WeakPolarHBondContact CA-OH 3.4Å; G327-Y366 PolarHBondContact N-OH 2.9Å
328	E	98.8	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.2	-40.7	176.2	-171.8	58.6	-161.1	0	0	111.8	W276 H280 I283 I323 H324 I326 A330 A331 L332 R390 Y398	W276-E328 VanDerWaalsContact NE1-CD 3.29Å; W276-E328 PolarHBondContact NE1-OE2 3Å; H280-E328 HydrophobicContact CB-CG 4.29Å; H280-E328 IonicContact CE1-OE1 3.15Å; H280-E328 IonicContact CG-OE1 3.81Å; H280-E328 IonicContact ND1-OE1 3Å; H280-E328 PolarHBondContact ND1-OE1 3.41Å; I283-E328 HydrophobicContact CD1-CB 4.34Å; I283-E328 HydrophobicContact CD1-CG 4.07Å; I323-E328 PolarHBondContact O-N 3.15Å; H324-E328 WeakPolarHBondContact O-CB 3.26Å; I326-E328 PolarHBondContact O-N 3.26Å; E328-A330 PolarHBondContact O-N 3.33Å; E328-A331 PolarHBondContact O-N 3.1Å; E328-L332 HydrophobicContact CG-CD1 4.18Å; E328-L332 WeakPolarHBondContact O-CB 2.98Å; E328-L332 WeakPolarHBondContact O-CG 3.41Å; E328-L332 PolarHBondContact O-N 3.2Å; E328-L332 VanDerWaalsContact OE1-CD1 3.32Å; E328-L332 WeakPolarHBondContact OE1-CD1 3.3Å; E328-L332 WeakPolarHBondContact OE1-CG 3.1Å; E328-R390 IonicContact OE1-CZ 3.74Å; E328-R390 IonicContact OE1-NH1 2.7Å; E328-R390 IonicContact OE1-NH2 3.91Å; E328-R390 PolarHBondContact OE1-NH2 3.18Å; E328-R390 IonicContact OE2-CZ 3.32Å; E328-R390 IonicContact OE2-NH1 3.7Å; E328-R390 PolarHBondContact OE2-NH1 3.36Å; E328-R390 IonicContact OE2-NH2 2.72Å; E328-R390 PolarHBondContact OE2-NH2 2.91Å; E328-Y398 HydrophobicContact CB-CE1 4.27Å; E328-Y398 VanDerWaalsContact OE2-CE1 3.31Å; E328-Y398 WeakPolarHBondContact OE2-CE1 3.36Å
329	S	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.7	-45.6	175.3	-57.3	0	0	0	0	112.1	I283 T325 I326 G327 G333 A334	I283-S329 WeakPolarHBondContact CD1-OG 3.33Å; T325-S329 WeakPolarHBondContact O-CB 3.16Å; T325-S329 PolarHBondContact O-N 3.22Å; T325-S329 PolarHBondContact O-OG 3.19Å; I326-S329 WeakPolarHBondContact O-CB 3.37Å; I326-S329 PolarHBondContact O-N 3.34Å; G327-S329 VanDerWaalsContact C-N 3.34Å; G327-S329 PolarHBondContact O-N 2.99Å; S329-G333 PolarHBondContact O-N 3.25Å; S329-A334 WeakPolarHBondContact O-CB 3.46Å; S329-A334 PolarHBondContact O-N 3.41Å
330	A	98.8	Very high	98.5	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-65.5	-46.7	178	0	0	0	0	0	111.6	F48 I326 G327 E328 L332 G333 V370	F48-A330 HydrophobicContact CD1-CB 3.82Å; F48-A330 HydrophobicContact CD2-CB 4.03Å; F48-A330 HydrophobicContact CE1-CB 3.72Å; F48-A330 HydrophobicContact CE2-CB 3.95Å; F48-A330 HydrophobicContact CG-CB 3.96Å; F48-A330 HydrophobicContact CZ-CB 3.77Å; I326-A330 PolarHBondContact O-N 3.34Å; G327-A330 PolarHBondContact O-N 3.3Å; E328-A330 PolarHBondContact O-N 3.33Å; A330-L332 VanDerWaalsContact C-N 3.28Å; A330-L332 PolarHBondContact O-N 3.35Å; A330-G333 PolarHBondContact O-N 3.07Å; A330-G333 VanDerWaalsContact O-N 3.11Å; A330-V370 HydrophobicContact CB-CG2 3.65Å
331	A	98.8	Very high	98.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.8	-32.9	-177	0	0	0	0	0	112.9	G327 E328 G333 R390 Y398 F434	G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 3.11Å; E328-A331 PolarHBondContact O-N 3.1Å; A331-G333 VanDerWaalsContact C-N 3.33Å; A331-R390 WeakPolarHBondContact O-CB 3.39Å; A331-R390 PolarHBondContact O-N 2.89Å; A331-Y398 HydrophobicContact CB-CD1 4.31Å; A331-F434 HydrophobicContact CB-CE1 4.26Å
332	L	98.6	Very high	97.8	Very high	7 Å²	7	8.3 Å²	8.3	4%	0.037	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.4	177.4	-65.7	-176	0	0	0	114.1	I283 Q284 L287 E328 A330	I283-L332 HydrophobicContact CB-CD1 3.9Å; I283-L332 HydrophobicContact CG2-CB 3.94Å; I283-L332 HydrophobicContact CG2-CD1 3.63Å; I283-L332 HydrophobicContact CG2-CG 4.42Å; Q284-L332 HydrophobicContact CG-CD1 4.08Å; L287-L332 HydrophobicContact CD1-CB 3.84Å; L287-L332 WeakPolarHBondContact CD1-O 3.46Å; E328-L332 HydrophobicContact CG-CD1 4.18Å; E328-L332 WeakPolarHBondContact O-CB 2.98Å; E328-L332 WeakPolarHBondContact O-CG 3.41Å; E328-L332 PolarHBondContact O-N 3.2Å; E328-L332 VanDerWaalsContact OE1-CD1 3.32Å; E328-L332 WeakPolarHBondContact OE1-CD1 3.3Å; E328-L332 WeakPolarHBondContact OE1-CG 3.1Å; A330-L332 VanDerWaalsContact C-N 3.28Å; A330-L332 PolarHBondContact O-N 3.35Å
333	G	97.9	Very high	97.4	Very high	4 Å²	4	13.2 Å²	13.2	4%	0.041	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	20	176.7	0	0	0	0	0	115.6	S329 A330 A331 R387	S329-G333 PolarHBondContact O-N 3.25Å; A330-G333 PolarHBondContact O-N 3.07Å; A330-G333 VanDerWaalsContact O-N 3.11Å; A331-G333 VanDerWaalsContact C-N 3.33Å; G333-R387 WeakPolarHBondContact O-CD 3.42Å; G333-R387 PolarHBondContact O-NH1 3Å
334	A	98.7	Very high	97.1	Very high	2 Å²	2	15 Å²	15	2%	0.017	8%	0.08	C	C	.	.			trans	-58.5	153.4	168.1	0	0	0	0	0	110.7	F48 V303 S329 G336	F48-A334 WeakPolarHBondContact CD2-O 3.33Å; F48-A334 HydrophobicContact CE2-CB 4.36Å; V303-A334 HydrophobicContact CG2-CB 4.13Å; S329-A334 WeakPolarHBondContact O-CB 3.46Å; S329-A334 PolarHBondContact O-N 3.41Å; A334-G336 VanDerWaalsContact C-N 3.27Å; A334-G336 PolarHBondContact O-N 3.18Å
335	A	98.8	Very high	96.8	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.025	8%	0.078	C	C	.	.	S	Bend	trans	-77	-18.5	179.1	0	0	0	0	0	112.5	F48 I49 P300 T301 Y302 R387	F48-A335 WeakPolarHBondContact CA-O 3.35Å; I49-A335 PolarHBondContact N-O 3.26Å; P300-A335 HydrophobicContact CB-CB 3.74Å; T301-A335 PolarHBondContact O-N 2.9Å; Y302-A335 HydrophobicContact CD1-CB 4.38Å; Y302-A335 HydrophobicContact CE1-CB 3.81Å; Y302-A335 HydrophobicContact CE2-CB 4.1Å; A335-R387 VanDerWaalsContact CA-NH1 3.26Å; A335-R387 VanDerWaalsContact N-NH1 3.2Å
336	G	98.7	Very high	96.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-169.9	-179.8	0	0	0	0	0	112.4	I49 Y302 V303 A334	I49-G336 CarbonylContact O-C 3.53Å; I49-G336 WeakPolarHBondContact O-CA 3.07Å; Y302-G336 WeakPolarHBondContact CA-O 3.44Å; V303-G336 PolarHBondContact N-O 3.37Å; A334-G336 VanDerWaalsContact C-N 3.27Å; A334-G336 PolarHBondContact O-N 3.18Å
337	F	98.8	Very high	96.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.8	174.4	67.5	-83.1	0	0	0	110.9	F48 I49 A50 A51 F73 V303 L305 I326 I339 I367	F48-F337 HydrophobicContact CD1-CD1 4.5Å; F48-F337 AromaticContact CE1-CD1 3.52Å; F48-F337 HydrophobicContact CE1-CD1 3.52Å; F48-F337 AromaticContact CE1-CE1 3.7Å; F48-F337 HydrophobicContact CE1-CE1 3.7Å; F48-F337 HydrophobicContact CE2-CD1 4.34Å; F48-F337 HydrophobicContact CZ-CB 4.49Å; F48-F337 AromaticContact CZ-CD1 3.44Å; F48-F337 HydrophobicContact CZ-CD1 3.44Å; F48-F337 VanDerWaalsContact CZ-CD1 3.44Å; F48-F337 HydrophobicContact CZ-CE1 4.12Å; F48-F337 HydrophobicContact CZ-CG 4.4Å; I49-F337 PolarHBondContact O-N 3.29Å; A50-F337 HydrophobicContact CB-CE1 3.58Å; A50-F337 HydrophobicContact CB-CE2 4.09Å; A50-F337 HydrophobicContact CB-CZ 3.3Å; A51-F337 WeakPolarHBondContact CB-O 3.35Å; A51-F337 PolarHBondContact N-O 2.89Å; F73-F337 HydrophobicContact CE1-CE2 4.38Å; V303-F337 CarbonylContact O-C 3.4Å; V303-F337 WeakPolarHBondContact O-CA 3.41Å; V303-F337 WeakPolarHBondContact O-CB 3.48Å; L305-F337 HydrophobicContact CD1-CB 3.73Å; L305-F337 HydrophobicContact CD1-CD2 3.71Å; L305-F337 HydrophobicContact CD1-CG 3.93Å; L305-F337 HydrophobicContact CG-CB 4.46Å; I326-F337 HydrophobicContact CD1-CD2 4.26Å; I326-F337 HydrophobicContact CD1-CE2 3.88Å; I326-F337 HydrophobicContact CD1-CZ 4.03Å; I326-F337 HydrophobicContact CG1-CD1 4.5Å; I326-F337 HydrophobicContact CG1-CD2 4.19Å; I326-F337 HydrophobicContact CG1-CE2 4.28Å; I326-F337 HydrophobicContact CG1-CG 4.28Å; I326-F337 HydrophobicContact CG1-CZ 4.47Å; I326-F337 HydrophobicContact CG2-CD1 3.84Å; I326-F337 HydrophobicContact CG2-CE1 3.68Å; I326-F337 HydrophobicContact CG2-CG 4.42Å; I326-F337 HydrophobicContact CG2-CZ 4.17Å; F337-I339 HydrophobicContact CD2-CG1 3.88Å; F337-I339 HydrophobicContact CE2-CD1 3.91Å; F337-I339 HydrophobicContact CE2-CG1 3.71Å; F337-I367 HydrophobicContact CE2-CD1 4.23Å; F337-I367 HydrophobicContact CZ-CD1 3.88Å; F337-I367 HydrophobicContact CZ-CG1 3.84Å; F337-I367 HydrophobicContact CZ-CG2 4.38Å
338	I	98.7	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.6	179.1	-56.3	153.6	0	0	0	108.1	A51 N53 V88 L142 F260 V303 Y304 L305 W340	A51-I338 HydrophobicContact CB-CB 4.31Å; A51-I338 HydrophobicContact CB-CG1 3.81Å; A51-I338 HydrophobicContact CB-CG2 4.43Å; A51-I338 WeakPolarHBondContact O-CA 3.43Å; N53-I338 HydrophobicContact CB-CG2 3.8Å; V88-I338 HydrophobicContact CG1-CG2 4.48Å; L142-I338 HydrophobicContact CD1-CD1 3.65Å; L142-I338 HydrophobicContact CD1-CG1 3.75Å; F260-I338 HydrophobicContact CD1-CD1 3.62Å; F260-I338 HydrophobicContact CE1-CD1 3.77Å; V303-I338 PolarHBondContact O-N 2.8Å; Y304-I338 WeakPolarHBondContact CA-O 3.42Å; Y304-I338 HydrophobicContact CD1-CB 4.44Å; Y304-I338 HydrophobicContact CD1-CG2 4.34Å; Y304-I338 HydrophobicContact CD2-CB 4.22Å; Y304-I338 HydrophobicContact CD2-CD1 3.64Å; Y304-I338 HydrophobicContact CE1-CB 4.37Å; Y304-I338 HydrophobicContact CE1-CG2 3.88Å; Y304-I338 HydrophobicContact CE2-CB 4.16Å; Y304-I338 HydrophobicContact CE2-CD1 3.21Å; Y304-I338 HydrophobicContact CE2-CG1 4.29Å; Y304-I338 HydrophobicContact CE2-CG2 4.26Å; Y304-I338 HydrophobicContact CG-CB 4.36Å; L305-I338 PolarHBondContact N-O 2.96Å; I338-W340 PolarHBondContact O-N 2.86Å
339	I	97.9	Very high	96.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114	170.7	-60.8	-171.4	0	0	0	108.6	A51 W52 N53 F73 L307 F337 L363 I367	A51-I339 PolarHBondContact O-N 2.72Å; W52-I339 HydrophobicContact CE3-CB 4.03Å; W52-I339 HydrophobicContact CE3-CG2 4.06Å; W52-I339 HydrophobicContact CZ3-CB 4.25Å; W52-I339 HydrophobicContact CZ3-CD1 4.43Å; W52-I339 HydrophobicContact CZ3-CG2 3.82Å; N53-I339 CarbonylContact C-O 3.45Å; N53-I339 WeakPolarHBondContact CA-O 3.36Å; N53-I339 PolarHBondContact N-O 2.84Å; F73-I339 HydrophobicContact CE1-CD1 3.71Å; F73-I339 HydrophobicContact CE1-CG1 4.15Å; F73-I339 HydrophobicContact CZ-CD1 3.85Å; L307-I339 HydrophobicContact CD2-CD1 3.94Å; L307-I339 HydrophobicContact CD2-CG2 3.53Å; L307-I339 HydrophobicContact CG-CG2 3.61Å; F337-I339 HydrophobicContact CD2-CG1 3.88Å; F337-I339 HydrophobicContact CE2-CD1 3.91Å; F337-I339 HydrophobicContact CE2-CG1 3.71Å; I339-L363 HydrophobicContact CD1-CD1 4.19Å; I339-L363 HydrophobicContact CD1-CD2 3.55Å; I339-L363 HydrophobicContact CD1-CG 4.38Å; I339-I367 HydrophobicContact CD1-CD1 4.4Å
340	W	96.6	Very high	96.1	Very high	34 Å²	34	33.2 Å²	33.2	13%	0.129	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.3	173.2	178.9	91.6	0	0	0	111.4	N53 Y92 Y304 L305 R306 I338 D342	N53-W340 WeakPolarHBondContact O-CA 3.16Å; Y92-W340 PolarHBondContact OH-NE1 3.1Å; Y304-W340 HydrophobicContact CD1-CB 3.76Å; Y304-W340 HydrophobicContact CD1-CG 4.43Å; Y304-W340 HydrophobicContact CE1-CB 3.82Å; Y304-W340 HydrophobicContact CE1-CG 4.24Å; L305-W340 PolarHBondContact O-N 3.22Å; R306-W340 HydrophobicContact CG-CE3 4.2Å; R306-W340 VanDerWaalsContact CZ-CZ3 3.43Å; I338-W340 PolarHBondContact O-N 2.86Å; W340-D342 HydrophobicContact CH2-CB 3.73Å; W340-D342 HydrophobicContact CZ2-CB 4.17Å; W340-D342 HydrophobicContact CZ3-CB 4.35Å
341	G	93.1	Very high	96	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	17%	0.17	C	C	.	.			trans	-155.9	146.4	173.5	0	0	0	0	0	112.1	N53 P55	N53-G341 PolarHBondContact O-N 3.49Å; P55-G341 WeakPolarHBondContact CD-O 3.29Å
342	D	89	Confident	95.9	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	17%	0.17	S	C	.	.			trans	-88.4	-178.8	175.2	61.4	34.8	0	0	0	112	W340 N344 L345	W340-D342 HydrophobicContact CH2-CB 3.73Å; W340-D342 HydrophobicContact CZ2-CB 4.17Å; W340-D342 HydrophobicContact CZ3-CB 4.35Å; D342-N344 PolarHBondContact O-N 2.03Å; D342-N344 WeakPolarHBondContact OD1-CA 3.25Å; D342-N344 WeakPolarHBondContact OD1-CB 3.48Å; D342-N344 PolarHBondContact OD1-N 2.87Å; D342-L345 PolarHBondContact O-N 3.3Å
343	L	90.6	Very high	95.8	Very high	107 Å²	107	36.7 Å²	36.7	56%	0.56	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-64.4	-15.1	179.4	-70.3	167.9	0	0	0	113.6	P55 M58 L345 T346 S347	P55-L343 HydrophobicContact CB-CD2 3.95Å; P55-L343 HydrophobicContact CG-CD2 3.84Å; P55-L343 HydrophobicContact CG-CG 4.4Å; M58-L343 HydrophobicContact CG-CD2 4.36Å; L343-L345 VanDerWaalsContact C-N 3.26Å; L343-L345 PolarHBondContact O-N 3.18Å; L343-T346 CarbonylContact O-C 3.55Å; L343-T346 PolarHBondContact O-N 2.82Å; L343-T346 VanDerWaalsContact O-N 3.09Å; L343-T346 PolarHBondContact O-OG1 3.16Å; L343-S347 PolarHBondContact O-N 3.01Å; L343-S347 VanDerWaalsContact O-N 3.16Å
344	N	91.3	Very high	95.8	Very high	77 Å²	77	39.2 Å²	39.2	41%	0.412	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.2	-33.3	179	-169.2	24.2	0	0	0	111.4	D342 T346 S347 N351	D342-N344 PolarHBondContact O-N 2.03Å; D342-N344 WeakPolarHBondContact OD1-CA 3.25Å; D342-N344 WeakPolarHBondContact OD1-CB 3.48Å; D342-N344 PolarHBondContact OD1-N 2.87Å; N344-T346 PolarHBondContact O-N 2.91Å; N344-T346 VanDerWaalsContact O-N 3.09Å; N344-S347 PolarHBondContact O-N 2.85Å; N344-S347 PolarHBondContact O-OG 2.97Å; N344-N351 PolarHBondContact O-ND2 2.92Å
345	L	92.1	Very high	95.6	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.2	174.7	-65.3	-178.1	0	0	0	113	A54 L307 A313 L314 F316 D342 L343 N351 V355	A54-L345 HydrophobicContact CB-CD1 4.36Å; L307-L345 HydrophobicContact CD1-CD1 3.83Å; A313-L345 HydrophobicContact CB-CD2 4.09Å; A313-L345 WeakPolarHBondContact O-CD2 3.5Å; L314-L345 HydrophobicContact CD2-CD2 4.09Å; F316-L345 HydrophobicContact CE1-CD2 4.38Å; D342-L345 PolarHBondContact O-N 3.3Å; L343-L345 VanDerWaalsContact C-N 3.26Å; L343-L345 PolarHBondContact O-N 3.18Å; L345-N351 CarbonylContact O-C 3.2Å; L345-N351 WeakPolarHBondContact O-CB 3.32Å; L345-V355 HydrophobicContact CB-CG2 4.2Å; L345-V355 HydrophobicContact CD2-CG2 4.33Å
346	T	94.5	Very high	95.5	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.025	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-123.1	19.3	-173.6	63	0	0	0	0	113	P55 M58 C59 L343 N344 S348	P55-T346 HydrophobicContact CG-CG2 4.3Å; P55-T346 VanDerWaalsContact O-CG2 3.31Å; P55-T346 WeakPolarHBondContact O-CG2 3.42Å; M58-T346 HydrophobicContact CB-CG2 4.48Å; C59-T346 WeakPolarHBondContact SG-CG2 3.43Å; L343-T346 CarbonylContact O-C 3.55Å; L343-T346 PolarHBondContact O-N 2.82Å; L343-T346 VanDerWaalsContact O-N 3.09Å; L343-T346 PolarHBondContact O-OG1 3.16Å; N344-T346 PolarHBondContact O-N 2.91Å; N344-T346 VanDerWaalsContact O-N 3.09Å; T346-S348 VanDerWaalsContact C-N 3.34Å; T346-S348 PolarHBondContact O-N 3.03Å
347	S	94.9	Very high	95.3	Very high	60 Å²	60	44.1 Å²	44.1	42%	0.42	23%	0.225	S	C	.	.	S	Bend	trans	-76.7	-18.4	-173.7	61.3	0	0	0	0	114	Y63 L343 N344 N351	Y63-S347 PolarHBondContact OH-O 2.96Å; Y63-S347 VanDerWaalsContact OH-O 3.07Å; L343-S347 PolarHBondContact O-N 3.01Å; L343-S347 VanDerWaalsContact O-N 3.16Å; N344-S347 PolarHBondContact O-N 2.85Å; N344-S347 PolarHBondContact O-OG 2.97Å; S347-N351 PolarHBondContact OG-ND2 3.34Å
348	S	96.9	Very high	95.1	Very high	35 Å²	35	44.5 Å²	44.5	25%	0.245	23%	0.227	C	C	.	.	S	Bend	trans	-146.3	160.6	-179.2	77	0	0	0	0	112.1	Y63 T346 H350 N351 C352	Y63-S348 WeakPolarHBondContact OH-CA 3.29Å; T346-S348 VanDerWaalsContact C-N 3.34Å; T346-S348 PolarHBondContact O-N 3.03Å; S348-H350 PolarHBondContact O-N 3.38Å; S348-H350 PolarHBondContact OG-N 2.93Å; S348-N351 PolarHBondContact O-N 3.24Å; S348-N351 VanDerWaalsContact OG-CG 3.27Å; S348-N351 PolarHBondContact OG-N 3.5Å; S348-N351 PolarHBondContact OG-OD1 3.13Å; S348-N351 VanDerWaalsContact OG-OD1 3.12Å; S348-C352 PolarHBondContact O-N 2.89Å; S348-C352 PolarHBondContact O-SG 2.86Å
349	R	97.2	Very high	94.9	Very high	168 Å²	168	44.5 Å²	44.5	63%	0.634	23%	0.227	S	C	*	.	H	α-helix	trans	-57	-37.4	171.5	-172.7	175.1	-179.2	157.5	0.5	111.6	Y63 I65 T353	Y63-R349 HydrophobicContact CD1-CB 3.8Å; Y63-R349 HydrophobicContact CD1-CG 4.45Å; Y63-R349 HydrophobicContact CD2-CB 4.48Å; Y63-R349 HydrophobicContact CE1-CB 4.23Å; Y63-R349 HydrophobicContact CG-CB 3.95Å; Y63-R349 HydrophobicContact CG-CG 4.35Å; I65-R349 HydrophobicContact CD1-CG 3.77Å; R349-T353 WeakPolarHBondContact O-CB 3.25Å; R349-T353 PolarHBondContact O-N 3.41Å; R349-T353 PolarHBondContact O-OG1 3.16Å
350	H	97.2	Very high	94.7	Very high	123 Å²	123	46.1 Å²	46.1	57%	0.569	24%	0.237	S	C	*	.	H	α-helix	trans	-63.3	-50.4	176.4	-178	72.8	0	0	0	111.7	S348 C352 T353 L354	S348-H350 PolarHBondContact O-N 3.38Å; S348-H350 PolarHBondContact OG-N 2.93Å; H350-C352 PolarHBondContact O-N 2.93Å; H350-T353 WeakPolarHBondContact O-CA 3.45Å; H350-T353 WeakPolarHBondContact O-CB 2.97Å; H350-T353 PolarHBondContact O-N 3.29Å; H350-L354 WeakPolarHBondContact NE2-CD1 3.48Å; H350-L354 PolarHBondContact O-N 3.17Å
351	N	96.9	Very high	94.6	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.08	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-44.8	179.8	-66.4	11	0	0	0	111.2	L314 N344 L345 S347 S348 T353 L354 V355	L314-N351 WeakPolarHBondContact CD1-ND2 3.32Å; L314-N351 HydrophobicContact CD2-CB 4.12Å; N344-N351 PolarHBondContact O-ND2 2.92Å; L345-N351 CarbonylContact O-C 3.2Å; L345-N351 WeakPolarHBondContact O-CB 3.32Å; S347-N351 PolarHBondContact OG-ND2 3.34Å; S348-N351 PolarHBondContact O-N 3.24Å; S348-N351 VanDerWaalsContact OG-CG 3.27Å; S348-N351 PolarHBondContact OG-N 3.5Å; S348-N351 PolarHBondContact OG-OD1 3.13Å; S348-N351 VanDerWaalsContact OG-OD1 3.12Å; N351-T353 VanDerWaalsContact C-N 3.27Å; N351-T353 PolarHBondContact O-N 2.76Å; N351-L354 WeakPolarHBondContact O-CB 3.5Å; N351-L354 PolarHBondContact O-N 2.96Å; N351-V355 WeakPolarHBondContact O-CG2 3.45Å; N351-V355 PolarHBondContact O-N 2.9Å
352	C	96.7	Very high	94.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-39.5	173.9	-74.1	0	0	0	0	112.8	C59 Y63 I65 S348 H350 K356	C59-C352 WeakPolarHBondContact CA-SG 2.98Å; C59-C352 HydrophobicContact CB-CB 3.62Å; C59-C352 WeakPolarHBondContact CB-SG 3.46Å; C59-C352 VanDerWaalsContact SG-CA 3.54Å; C59-C352 WeakPolarHBondContact SG-CB 3.11Å; C59-C352 CovalentContact SG-SG 2.03Å; C59-C352 PolarHBondContact SG-SG 3.43Å; Y63-C352 HydrophobicContact CD2-CB 4.29Å; Y63-C352 VanDerWaalsContact CD2-SG 3.6Å; I65-C352 HydrophobicContact CB-CB 4.48Å; I65-C352 HydrophobicContact CD1-CB 3.81Å; I65-C352 HydrophobicContact CG2-CB 4.45Å; S348-C352 PolarHBondContact O-N 2.89Å; S348-C352 PolarHBondContact O-SG 2.86Å; H350-C352 PolarHBondContact O-N 2.93Å; C352-K356 WeakPolarHBondContact O-CB 3.31Å; C352-K356 PolarHBondContact O-N 3.38Å
353	T	96.2	Very high	95	Very high	70 Å²	70	54.7 Å²	54.7	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-42.8	177.1	-57.2	0	0	0	0	111.1	I65 R349 H350 N351 K356 S357	I65-T353 WeakPolarHBondContact CD1-OG1 3.33Å; R349-T353 WeakPolarHBondContact O-CB 3.25Å; R349-T353 PolarHBondContact O-N 3.41Å; R349-T353 PolarHBondContact O-OG1 3.16Å; H350-T353 WeakPolarHBondContact O-CA 3.45Å; H350-T353 WeakPolarHBondContact O-CB 2.97Å; H350-T353 PolarHBondContact O-N 3.29Å; N351-T353 VanDerWaalsContact C-N 3.27Å; N351-T353 PolarHBondContact O-N 2.76Å; T353-K356 PolarHBondContact O-N 3.31Å; T353-S357 WeakPolarHBondContact O-CB 2.99Å; T353-S357 PolarHBondContact O-N 3.21Å
354	L	96.5	Very high	95.3	Very high	57 Å²	57	49.6 Å²	49.6	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-49.4	175	-70.7	-179.8	0	0	0	111.5	F316 H350 N351 S357 F358	F316-L354 HydrophobicContact CE2-CB 3.88Å; F316-L354 WeakPolarHBondContact CE2-O 3.43Å; F316-L354 HydrophobicContact CZ-CB 4.17Å; H350-L354 WeakPolarHBondContact NE2-CD1 3.48Å; H350-L354 PolarHBondContact O-N 3.17Å; N351-L354 WeakPolarHBondContact O-CB 3.5Å; N351-L354 PolarHBondContact O-N 2.96Å; L354-S357 PolarHBondContact O-N 3.47Å; L354-F358 PolarHBondContact O-N 3.4Å
355	V	95.9	Very high	95.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-49.2	178.4	173.2	0	0	0	0	110.7	L56 L307 F316 L345 N351 S357 F358 L359	L56-V355 HydrophobicContact CD1-CB 4.42Å; L56-V355 HydrophobicContact CD1-CG1 3.63Å; L307-V355 HydrophobicContact CD1-CG1 4.05Å; F316-V355 HydrophobicContact CE1-CG2 4.19Å; F316-V355 HydrophobicContact CZ-CB 4.38Å; F316-V355 HydrophobicContact CZ-CG2 3.7Å; L345-V355 HydrophobicContact CB-CG2 4.2Å; L345-V355 HydrophobicContact CD2-CG2 4.33Å; N351-V355 WeakPolarHBondContact O-CG2 3.45Å; N351-V355 PolarHBondContact O-N 2.9Å; V355-S357 VanDerWaalsContact C-N 3.32Å; V355-S357 PolarHBondContact O-N 2.9Å; V355-F358 PolarHBondContact O-N 2.79Å; V355-F358 VanDerWaalsContact O-N 3.13Å; V355-L359 HydrophobicContact CG1-CD1 3.74Å; V355-L359 HydrophobicContact CG1-CG 4.34Å; V355-L359 WeakPolarHBondContact O-CG 3.2Å; V355-L359 PolarHBondContact O-N 3.42Å
356	K	95.1	Very high	95.8	Very high	75 Å²	75	53.5 Å²	53.5	33%	0.326	25%	0.246	S	C	.	.	H	α-helix	trans	-54.8	-49	175.2	177.4	170.8	177.9	164.6	0	111	I65 T66 C352 T353 F358 L359 T360	I65-K356 HydrophobicContact CG2-CB 4.25Å; I65-K356 HydrophobicContact CG2-CD 3.64Å; T66-K356 WeakPolarHBondContact O-CD 3.16Å; T66-K356 WeakPolarHBondContact O-CE 3.17Å; T66-K356 PolarHBondContact O-NZ 3.09Å; C352-K356 WeakPolarHBondContact O-CB 3.31Å; C352-K356 PolarHBondContact O-N 3.38Å; T353-K356 PolarHBondContact O-N 3.31Å; K356-F358 VanDerWaalsContact C-N 3.29Å; K356-F358 PolarHBondContact O-N 3.25Å; K356-L359 PolarHBondContact O-N 2.94Å; K356-T360 HydrophobicContact CG-CG2 4.21Å; K356-T360 WeakPolarHBondContact O-CG2 3.44Å; K356-T360 PolarHBondContact O-N 2.71Å; K356-T360 PolarHBondContact O-OG1 2.91Å; K356-T360 VanDerWaalsContact O-OG1 3.05Å
357	S	94.7	Very high	96	Very high	31 Å²	31	53.4 Å²	53.4	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-35.3	179.1	134.5	0	0	0	0	113.2	T353 L354 V355 R361	T353-S357 WeakPolarHBondContact O-CB 2.99Å; T353-S357 PolarHBondContact O-N 3.21Å; L354-S357 PolarHBondContact O-N 3.47Å; V355-S357 VanDerWaalsContact C-N 3.32Å; V355-S357 PolarHBondContact O-N 2.9Å; S357-R361 VanDerWaalsContact O-CB 3.27Å; S357-R361 WeakPolarHBondContact O-CB 3.34Å; S357-R361 VanDerWaalsContact O-CG 3.31Å; S357-R361 WeakPolarHBondContact O-CG 3.33Å; S357-R361 PolarHBondContact O-N 3.12Å; S357-R361 PolarHBondContact O-NE 3.28Å; S357-R361 PolarHBondContact OG-NH2 2.58Å
358	F	95.6	Very high	96.1	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-71.4	-43.1	177.5	-177.6	-118.4	0	0	0	111.5	L307 F316 L317 L322 L354 V355 K356 R361 R362 L363	L307-F358 HydrophobicContact CB-CE1 4.35Å; L307-F358 HydrophobicContact CD2-CD1 4.07Å; L307-F358 HydrophobicContact CD2-CE1 3.94Å; F316-F358 HydrophobicContact CB-CD1 3.96Å; F316-F358 HydrophobicContact CB-CD2 3.6Å; F316-F358 HydrophobicContact CB-CE1 3.9Å; F316-F358 HydrophobicContact CB-CE2 3.54Å; F316-F358 HydrophobicContact CB-CG 3.82Å; F316-F358 HydrophobicContact CB-CZ 3.71Å; F316-F358 HydrophobicContact CD1-CD1 4.19Å; F316-F358 HydrophobicContact CD1-CG 4.47Å; F316-F358 HydrophobicContact CD2-CB 3.48Å; F316-F358 VanDerWaalsContact CD2-CB 3.48Å; F316-F358 HydrophobicContact CD2-CD1 4.12Å; F316-F358 AromaticContact CD2-CD2 3.91Å; F316-F358 HydrophobicContact CD2-CD2 3.91Å; F316-F358 AromaticContact CD2-CG 3.58Å; F316-F358 HydrophobicContact CD2-CG 3.58Å; F316-F358 HydrophobicContact CE2-CB 3.7Å; F316-F358 HydrophobicContact CE2-CG 4.24Å; F316-F358 HydrophobicContact CG-CB 4.11Å; F316-F358 AromaticContact CG-CD1 3.84Å; F316-F358 HydrophobicContact CG-CD1 3.84Å; F316-F358 AromaticContact CG-CD2 3.99Å; F316-F358 HydrophobicContact CG-CD2 3.99Å; F316-F358 HydrophobicContact CG-CE1 4.22Å; F316-F358 HydrophobicContact CG-CE2 4.36Å; F316-F358 AromaticContact CG-CG 3.71Å; F316-F358 HydrophobicContact CG-CG 3.71Å; F316-F358 HydrophobicContact CG-CZ 4.48Å; F316-F358 HydrophobicContact CZ-CB 4.5Å; L317-F358 WeakPolarHBondContact O-CE2 3.09Å; L322-F358 HydrophobicContact CD1-CZ 4.47Å; L354-F358 PolarHBondContact O-N 3.4Å; V355-F358 PolarHBondContact O-N 2.79Å; V355-F358 VanDerWaalsContact O-N 3.13Å; K356-F358 VanDerWaalsContact C-N 3.29Å; K356-F358 PolarHBondContact O-N 3.25Å; F358-R361 PolarHBondContact O-N 3.32Å; F358-R362 HydrophobicContact CD2-CB 4.07Å; F358-R362 HydrophobicContact CE2-CB 3.92Å; F358-R362 HydrophobicContact CE2-CG 4.27Å; F358-R362 PolarHBondContact O-N 3.42Å; F358-L363 HydrophobicContact CD1-CB 3.91Å; F358-L363 HydrophobicContact CD1-CD2 4.04Å; F358-L363 HydrophobicContact CE1-CB 3.65Å; F358-L363 HydrophobicContact CE1-CD2 3.7Å; F358-L363 HydrophobicContact CE1-CG 4.18Å; F358-L363 HydrophobicContact CE2-CB 4.44Å; F358-L363 HydrophobicContact CG-CB 4.42Å; F358-L363 HydrophobicContact CZ-CB 3.93Å; F358-L363 PolarHBondContact O-N 3.42Å
359	L	94.9	Very high	96.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-63	-49.4	176.8	-69.3	168	0	0	0	111.8	W52 L56 T67 L69 L72 F73 L307 V355 K356 R361 L363 G364	W52-L359 HydrophobicContact CH2-CD1 3.9Å; W52-L359 HydrophobicContact CH2-CD2 3.91Å; W52-L359 HydrophobicContact CH2-CG 4.43Å; W52-L359 HydrophobicContact CZ3-CD1 4.43Å; W52-L359 HydrophobicContact CZ3-CD2 3.65Å; L56-L359 HydrophobicContact CD2-CD1 3.81Å; T67-L359 HydrophobicContact CG2-CB 4.17Å; T67-L359 HydrophobicContact CG2-CD1 3.82Å; L69-L359 HydrophobicContact CD2-CD1 4.08Å; L72-L359 HydrophobicContact CD1-CB 4.46Å; F73-L359 HydrophobicContact CE2-CD2 4.03Å; F73-L359 HydrophobicContact CZ-CD2 4.16Å; L307-L359 HydrophobicContact CD2-CD2 4.5Å; V355-L359 HydrophobicContact CG1-CD1 3.74Å; V355-L359 HydrophobicContact CG1-CG 4.34Å; V355-L359 WeakPolarHBondContact O-CG 3.2Å; V355-L359 PolarHBondContact O-N 3.42Å; K356-L359 PolarHBondContact O-N 2.94Å; L359-R361 PolarHBondContact O-N 2.81Å; L359-L363 HydrophobicContact CD2-CD2 3.63Å; L359-L363 HydrophobicContact CD2-CG 4.45Å; L359-G364 WeakPolarHBondContact O-CA 3.28Å; L359-G364 PolarHBondContact O-N 3.08Å
360	T	93.6	Very high	96.2	Very high	36 Å²	36	43.4 Å²	43.4	22%	0.221	20%	0.198	C	C	.	.	I	π-helix	trans	-78.3	-1.3	-176.6	63.7	0	0	0	0	114.2	K356 F416	K356-T360 HydrophobicContact CG-CG2 4.21Å; K356-T360 WeakPolarHBondContact O-CG2 3.44Å; K356-T360 PolarHBondContact O-N 2.71Å; K356-T360 PolarHBondContact O-OG1 2.91Å; K356-T360 VanDerWaalsContact O-OG1 3.05Å; T360-F416 WeakPolarHBondContact O-CZ 3.37Å
361	R	93.1	Very high	96.3	Very high	165 Å²	165	38.1 Å²	38.1	62%	0.623	17%	0.174	S	C	*	.	I	π-helix	trans	-123.4	-93.9	177.3	-59	-169.6	-72.3	-173.5	-0.5	111.2	S357 F358 L359 R365	S357-R361 VanDerWaalsContact O-CB 3.27Å; S357-R361 WeakPolarHBondContact O-CB 3.34Å; S357-R361 VanDerWaalsContact O-CG 3.31Å; S357-R361 WeakPolarHBondContact O-CG 3.33Å; S357-R361 PolarHBondContact O-N 3.12Å; S357-R361 PolarHBondContact O-NE 3.28Å; S357-R361 PolarHBondContact OG-NH2 2.58Å; F358-R361 PolarHBondContact O-N 3.32Å; L359-R361 PolarHBondContact O-N 2.81Å; R361-R365 VanDerWaalsContact O-CB 3.26Å; R361-R365 WeakPolarHBondContact O-CB 3.4Å; R361-R365 PolarHBondContact O-N 2.74Å
362	R	95.8	Very high	96.3	Very high	108 Å²	108	40.8 Å²	40.8	41%	0.408	18%	0.183	S	C	.	.	I	π-helix	trans	-65.7	-53.7	-168.1	-168.9	-177.3	-54.8	141	0.2	111.7	L317 L322 F358 Y366	L317-R362 PolarHBondContact O-NH1 3.37Å; L322-R362 HydrophobicContact CD1-CG 4.13Å; F358-R362 HydrophobicContact CD2-CB 4.07Å; F358-R362 HydrophobicContact CE2-CB 3.92Å; F358-R362 HydrophobicContact CE2-CG 4.27Å; F358-R362 PolarHBondContact O-N 3.42Å; R362-Y366 WeakPolarHBondContact O-CB 3.08Å; R362-Y366 PolarHBondContact O-N 2.86Å; R362-Y366 VanDerWaalsContact O-N 3.1Å
363	L	96.5	Very high	96.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.186	C	C	.	.	I	π-helix	trans	-69.8	-47.7	-172.5	179.6	59.6	0	0	0	111.5	L307 L322 I326 I339 F358 L359 R365 Y366 I367	L307-L363 HydrophobicContact CD2-CD2 3.27Å; L322-L363 HydrophobicContact CD1-CD1 4.36Å; L322-L363 HydrophobicContact CD2-CD1 3.86Å; I326-L363 HydrophobicContact CD1-CD1 4.09Å; I339-L363 HydrophobicContact CD1-CD1 4.19Å; I339-L363 HydrophobicContact CD1-CD2 3.55Å; I339-L363 HydrophobicContact CD1-CG 4.38Å; F358-L363 HydrophobicContact CD1-CB 3.91Å; F358-L363 HydrophobicContact CD1-CD2 4.04Å; F358-L363 HydrophobicContact CE1-CB 3.65Å; F358-L363 HydrophobicContact CE1-CD2 3.7Å; F358-L363 HydrophobicContact CE1-CG 4.18Å; F358-L363 HydrophobicContact CE2-CB 4.44Å; F358-L363 HydrophobicContact CG-CB 4.42Å; F358-L363 HydrophobicContact CZ-CB 3.93Å; F358-L363 PolarHBondContact O-N 3.42Å; L359-L363 HydrophobicContact CD2-CD2 3.63Å; L359-L363 HydrophobicContact CD2-CG 4.45Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.06Å; L363-Y366 PolarHBondContact O-N 2.99Å; L363-Y366 VanDerWaalsContact O-N 3.11Å; L363-I367 HydrophobicContact CD1-CD1 3.74Å; L363-I367 HydrophobicContact CD1-CG1 3.81Å; L363-I367 HydrophobicContact CD2-CD1 4.34Å; L363-I367 HydrophobicContact CG-CD1 3.72Å; L363-I367 HydrophobicContact CG-CG1 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.31Å; L363-I367 PolarHBondContact O-N 2.99Å
364	G	95.9	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-40.9	-179.6	0	0	0	0	0	112.9	L359 Y366 I367 T368 F416	L359-G364 WeakPolarHBondContact O-CA 3.28Å; L359-G364 PolarHBondContact O-N 3.08Å; G364-Y366 VanDerWaalsContact C-N 3.33Å; G364-Y366 PolarHBondContact O-N 3.34Å; G364-I367 PolarHBondContact O-N 3.27Å; G364-T368 WeakPolarHBondContact O-CB 3.42Å; G364-T368 PolarHBondContact O-N 2.94Å; G364-T368 PolarHBondContact O-OG1 3.38Å; G364-F416 VanDerWaalsContact C-CE2 3.42Å
365	R	96.1	Very high	96.6	Very high	147 Å²	147	36 Å²	36	56%	0.555	16%	0.156	S	C	*	.	H	α-helix	trans	-61.8	-42.2	173.7	-171	175.7	-174.1	-168.6	0.2	111.7	R361 L363 N369 I408 F416	R361-R365 VanDerWaalsContact O-CB 3.26Å; R361-R365 WeakPolarHBondContact O-CB 3.4Å; R361-R365 PolarHBondContact O-N 2.74Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.06Å; R365-N369 WeakPolarHBondContact O-CB 3.17Å; R365-N369 PolarHBondContact O-N 2.85Å; R365-I408 HydrophobicContact CG-CB 4.37Å; R365-I408 HydrophobicContact CG-CD1 4.3Å; R365-I408 HydrophobicContact CG-CG2 4.02Å; R365-F416 HydrophobicContact CB-CD1 4.33Å; R365-F416 HydrophobicContact CB-CE1 3.81Å; R365-F416 HydrophobicContact CB-CZ 4.21Å; R365-F416 HydrophobicContact CG-CE1 4.49Å
366	Y	97.9	Very high	96.7	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.071	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-45.1	179.8	-173.6	-91.9	0	0	0	112.6	L322 I323 I326 G327 R362 L363 G364 T368 N369 V370 H400	L322-Y366 HydrophobicContact CB-CD1 3.9Å; L322-Y366 HydrophobicContact CB-CD2 4.31Å; L322-Y366 HydrophobicContact CB-CE1 3.98Å; L322-Y366 HydrophobicContact CB-CE2 4.35Å; L322-Y366 HydrophobicContact CB-CG 4.08Å; L322-Y366 HydrophobicContact CD1-CD1 4.39Å; L322-Y366 HydrophobicContact CD1-CG 4.13Å; L322-Y366 PolarHBondContact O-OH 3.07Å; I323-Y366 VanDerWaalsContact CA-OH 3.29Å; I323-Y366 WeakPolarHBondContact CA-OH 3.27Å; I323-Y366 HydrophobicContact CG1-CE2 3.61Å; I326-Y366 HydrophobicContact CB-CD1 4.47Å; I326-Y366 HydrophobicContact CB-CE1 3.73Å; I326-Y366 HydrophobicContact CD1-CD1 4.27Å; I326-Y366 HydrophobicContact CD1-CE1 4.35Å; I326-Y366 HydrophobicContact CG2-CD1 4.41Å; I326-Y366 HydrophobicContact CG2-CE1 3.77Å; G327-Y366 WeakPolarHBondContact CA-OH 3.4Å; G327-Y366 PolarHBondContact N-OH 2.9Å; R362-Y366 WeakPolarHBondContact O-CB 3.08Å; R362-Y366 PolarHBondContact O-N 2.86Å; R362-Y366 VanDerWaalsContact O-N 3.1Å; L363-Y366 PolarHBondContact O-N 2.99Å; L363-Y366 VanDerWaalsContact O-N 3.11Å; G364-Y366 VanDerWaalsContact C-N 3.33Å; G364-Y366 PolarHBondContact O-N 3.34Å; Y366-T368 VanDerWaalsContact C-N 3.34Å; Y366-T368 PolarHBondContact O-N 2.83Å; Y366-N369 WeakPolarHBondContact O-CB 3.32Å; Y366-N369 PolarHBondContact O-N 3.45Å; Y366-V370 HydrophobicContact CD1-CG1 4.44Å; Y366-V370 HydrophobicContact CE1-CB 4.34Å; Y366-V370 HydrophobicContact CE1-CG1 4.15Å; Y366-V370 WeakPolarHBondContact O-CG1 3.49Å; Y366-V370 PolarHBondContact O-N 2.73Å; Y366-H400 AromaticContact CE2-NE2 3.69Å; Y366-H400 AromaticContact CZ-NE2 3.58Å; Y366-H400 PolarHBondContact OH-NE2 3.15Å
367	I	97.9	Very high	96.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-46.3	176.4	-67.4	178.6	0	0	0	110.3	A50 L72 F73 F337 I339 L363 G364 N369 V370 T371	A50-I367 HydrophobicContact CB-CG2 3.7Å; L72-I367 WeakPolarHBondContact O-CG2 3.5Å; F73-I367 HydrophobicContact CD1-CD1 4.44Å; F73-I367 HydrophobicContact CE1-CD1 3.56Å; F73-I367 HydrophobicContact CE2-CD1 4.46Å; F73-I367 HydrophobicContact CZ-CD1 3.56Å; F337-I367 HydrophobicContact CE2-CD1 4.23Å; F337-I367 HydrophobicContact CZ-CD1 3.88Å; F337-I367 HydrophobicContact CZ-CG1 3.84Å; F337-I367 HydrophobicContact CZ-CG2 4.38Å; I339-I367 HydrophobicContact CD1-CD1 4.4Å; L363-I367 HydrophobicContact CD1-CD1 3.74Å; L363-I367 HydrophobicContact CD1-CG1 3.81Å; L363-I367 HydrophobicContact CD2-CD1 4.34Å; L363-I367 HydrophobicContact CG-CD1 3.72Å; L363-I367 HydrophobicContact CG-CG1 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.31Å; L363-I367 PolarHBondContact O-N 2.99Å; G364-I367 PolarHBondContact O-N 3.27Å; I367-N369 VanDerWaalsContact C-N 3.29Å; I367-N369 PolarHBondContact O-N 3.13Å; I367-V370 PolarHBondContact O-N 3.35Å; I367-T371 HydrophobicContact CG2-CG2 4.08Å; I367-T371 WeakPolarHBondContact O-CB 3.49Å; I367-T371 VanDerWaalsContact O-CG2 3.31Å; I367-T371 WeakPolarHBondContact O-CG2 3.46Å; I367-T371 PolarHBondContact O-N 2.98Å; I367-T371 PolarHBondContact O-OG1 2.84Å
368	T	97.1	Very high	97.1	Very high	21 Å²	21	31.9 Å²	31.9	13%	0.129	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-43.4	177.4	-56.3	0	0	0	0	111	G364 Y366 R372 I408 F416 V418	G364-T368 WeakPolarHBondContact O-CB 3.42Å; G364-T368 PolarHBondContact O-N 2.94Å; G364-T368 PolarHBondContact O-OG1 3.38Å; Y366-T368 VanDerWaalsContact C-N 3.34Å; Y366-T368 PolarHBondContact O-N 2.83Å; T368-R372 WeakPolarHBondContact O-CB 3.2Å; T368-R372 PolarHBondContact O-N 3.06Å; T368-I408 HydrophobicContact CG2-CG2 4.11Å; T368-F416 HydrophobicContact CG2-CB 3.97Å; T368-V418 HydrophobicContact CG2-CG2 3.42Å; T368-V418 VanDerWaalsContact CG2-CG2 3.42Å
369	N	98.2	Very high	97.2	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-59.9	177.3	-173.6	-45.1	0	0	0	111.8	R365 Y366 I367 T371 R372 A373 H400 L401 I408	R365-N369 WeakPolarHBondContact O-CB 3.17Å; R365-N369 PolarHBondContact O-N 2.85Å; Y366-N369 WeakPolarHBondContact O-CB 3.32Å; Y366-N369 PolarHBondContact O-N 3.45Å; I367-N369 VanDerWaalsContact C-N 3.29Å; I367-N369 PolarHBondContact O-N 3.13Å; N369-T371 PolarHBondContact O-N 3.21Å; N369-R372 PolarHBondContact O-N 2.85Å; N369-A373 VanDerWaalsContact O-CB 3.31Å; N369-A373 WeakPolarHBondContact O-CB 3.16Å; N369-A373 PolarHBondContact O-N 2.87Å; N369-H400 WeakPolarHBondContact OD1-CA 3.14Å; N369-H400 WeakPolarHBondContact OD1-CB 3.31Å; N369-L401 PolarHBondContact OD1-N 3.26Å; N369-I408 HydrophobicContact CB-CD1 3.62Å
370	V	98.6	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-38.1	-171.4	67.8	0	0	0	0	112.8	F48 I326 A330 Y366 I367 A374	F48-V370 HydrophobicContact CD1-CG2 4.47Å; F48-V370 HydrophobicContact CE1-CG1 4.27Å; F48-V370 HydrophobicContact CE1-CG2 4.26Å; I326-V370 HydrophobicContact CG2-CG1 3.82Å; A330-V370 HydrophobicContact CB-CG2 3.65Å; Y366-V370 HydrophobicContact CD1-CG1 4.44Å; Y366-V370 HydrophobicContact CE1-CB 4.34Å; Y366-V370 HydrophobicContact CE1-CG1 4.15Å; Y366-V370 WeakPolarHBondContact O-CG1 3.49Å; Y366-V370 PolarHBondContact O-N 2.73Å; I367-V370 PolarHBondContact O-N 3.35Å; V370-A374 WeakPolarHBondContact O-CB 3.36Å; V370-A374 PolarHBondContact O-N 3.44Å
371	T	98.4	Very high	97.5	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-70.6	-42.5	-179.9	55.9	0	0	0	0	111.2	F48 I367 N369 A374 E375	F48-T371 HydrophobicContact CD1-CG2 4.22Å; I367-T371 HydrophobicContact CG2-CG2 4.08Å; I367-T371 WeakPolarHBondContact O-CB 3.49Å; I367-T371 VanDerWaalsContact O-CG2 3.31Å; I367-T371 WeakPolarHBondContact O-CG2 3.46Å; I367-T371 PolarHBondContact O-N 2.98Å; I367-T371 PolarHBondContact O-OG1 2.84Å; N369-T371 PolarHBondContact O-N 3.21Å; T371-A374 PolarHBondContact O-N 3.16Å; T371-E375 WeakPolarHBondContact O-CG 3.14Å; T371-E375 PolarHBondContact O-N 3.2Å; T371-E375 VanDerWaalsContact O-N 3.15Å
372	R	97.9	Very high	97.8	Very high	72 Å²	72	30 Å²	30	27%	0.272	13%	0.132	S	C	.	.	H	α-helix	trans	-67.9	-37.7	175.7	-174.8	58	180	154.8	7.2	112.4	T368 N369 A374 E375 V376 L401 V418	T368-R372 WeakPolarHBondContact O-CB 3.2Å; T368-R372 PolarHBondContact O-N 3.06Å; N369-R372 PolarHBondContact O-N 2.85Å; R372-A374 VanDerWaalsContact C-N 3.31Å; R372-A374 PolarHBondContact O-N 2.94Å; R372-E375 VanDerWaalsContact CD-OE2 3.24Å; R372-E375 WeakPolarHBondContact CD-OE2 3.06Å; R372-E375 IonicContact CZ-OE2 2.86Å; R372-E375 IonicContact NE-OE2 3.22Å; R372-E375 IonicContact NH1-OE2 2.74Å; R372-E375 PolarHBondContact NH1-OE2 3.23Å; R372-E375 WeakPolarHBondContact O-CB 3.34Å; R372-E375 PolarHBondContact O-N 2.97Å; R372-V376 WeakPolarHBondContact O-CG2 3.45Å; R372-V376 PolarHBondContact O-N 3.2Å; R372-L401 HydrophobicContact CB-CD1 4.04Å; R372-L401 HydrophobicContact CB-CD2 4.45Å; R372-L401 HydrophobicContact CG-CD1 3.98Å; R372-L401 HydrophobicContact CG-CD2 4.18Å; R372-V418 HydrophobicContact CG-CG1 4.36Å; R372-V418 HydrophobicContact CG-CG2 4.39Å
373	A	98.5	Very high	97.8	Very high	6 Å²	6	29.3 Å²	29.3	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-38.4	174.8	0	0	0	0	0	112.3	N369 V376 C377 L399 L401	N369-A373 VanDerWaalsContact O-CB 3.31Å; N369-A373 WeakPolarHBondContact O-CB 3.16Å; N369-A373 PolarHBondContact O-N 2.87Å; A373-V376 PolarHBondContact O-N 3.09Å; A373-C377 WeakPolarHBondContact O-CB 3.22Å; A373-C377 PolarHBondContact O-N 3.32Å; A373-L399 VanDerWaalsContact CB-C 3.45Å; A373-L399 HydrophobicContact CB-CB 4.23Å; A373-L399 WeakPolarHBondContact CB-O 3.38Å; A373-L401 HydrophobicContact CB-CD2 3.91Å; A373-L401 HydrophobicContact CB-CG 4.15Å
374	A	98.6	Very high	97.8	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-39.2	175	0	0	0	0	0	112.3	P47 F48 V370 T371 R372 S378 L399	P47-A374 HydrophobicContact CG-CB 3.95Å; P47-A374 WeakPolarHBondContact CG-O 3.33Å; F48-A374 HydrophobicContact CB-CB 3.89Å; V370-A374 WeakPolarHBondContact O-CB 3.36Å; V370-A374 PolarHBondContact O-N 3.44Å; T371-A374 PolarHBondContact O-N 3.16Å; R372-A374 VanDerWaalsContact C-N 3.31Å; R372-A374 PolarHBondContact O-N 2.94Å; A374-S378 VanDerWaalsContact O-CB 3.32Å; A374-S378 WeakPolarHBondContact O-CB 3.28Å; A374-S378 PolarHBondContact O-N 3.35Å; A374-L399 HydrophobicContact CB-CD1 4.18Å
375	E	98.5	Very high	97.9	Very high	18 Å²	18	33 Å²	33	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-52	173	-68.4	167	-166.4	0	0	111.9	K46 T371 R372 C377 S378 E379	K46-E375 HydrophobicContact CD-CG 4.44Å; K46-E375 WeakPolarHBondContact CD-OE1 3.48Å; K46-E375 VanDerWaalsContact CE-OE1 3.27Å; K46-E375 WeakPolarHBondContact CE-OE1 3.45Å; K46-E375 IonicContact NZ-OE1 3.29Å; K46-E375 PolarHBondContact NZ-OE1 3.47Å; T371-E375 WeakPolarHBondContact O-CG 3.14Å; T371-E375 PolarHBondContact O-N 3.2Å; T371-E375 VanDerWaalsContact O-N 3.15Å; R372-E375 VanDerWaalsContact CD-OE2 3.24Å; R372-E375 WeakPolarHBondContact CD-OE2 3.06Å; R372-E375 IonicContact CZ-OE2 2.86Å; R372-E375 IonicContact NE-OE2 3.22Å; R372-E375 IonicContact NH1-OE2 2.74Å; R372-E375 PolarHBondContact NH1-OE2 3.23Å; R372-E375 WeakPolarHBondContact O-CB 3.34Å; R372-E375 PolarHBondContact O-N 2.97Å; E375-C377 VanDerWaalsContact C-N 3.25Å; E375-C377 PolarHBondContact O-N 3.39Å; E375-S378 WeakPolarHBondContact O-CB 3.43Å; E375-S378 PolarHBondContact O-N 2.81Å; E375-S378 VanDerWaalsContact O-N 3.12Å; E375-E379 WeakPolarHBondContact O-CG 3.49Å; E375-E379 PolarHBondContact O-N 3.24Å
376	V	98.3	Very high	98	Very high	15 Å²	15	26 Å²	26	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-56.2	-43.7	179.1	170.3	0	0	0	0	110.6	R372 A373 F380 P422	R372-V376 WeakPolarHBondContact O-CG2 3.45Å; R372-V376 PolarHBondContact O-N 3.2Å; A373-V376 PolarHBondContact O-N 3.09Å; V376-F380 VanDerWaalsContact O-CB 3.26Å; V376-F380 WeakPolarHBondContact O-CB 3.44Å; V376-F380 PolarHBondContact O-N 3.08Å; V376-P422 HydrophobicContact CG1-CB 4.39Å; V376-P422 HydrophobicContact CG1-CG 4.17Å
377	C	98.6	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-45.1	177.9	-169.1	0	0	0	0	112.4	A373 E375 E379 F380 L381 C388 L399 L430	A373-C377 WeakPolarHBondContact O-CB 3.22Å; A373-C377 PolarHBondContact O-N 3.32Å; E375-C377 VanDerWaalsContact C-N 3.25Å; E375-C377 PolarHBondContact O-N 3.39Å; C377-E379 PolarHBondContact O-N 3.28Å; C377-F380 PolarHBondContact O-N 3.16Å; C377-L381 WeakPolarHBondContact O-CB 3.22Å; C377-L381 PolarHBondContact O-N 3.35Å; C377-C388 HydrophobicContact CB-CB 3.9Å; C377-C388 WeakPolarHBondContact CB-SG 3.33Å; C377-C388 PolarHBondContact O-SG 3.05Å; C377-C388 WeakPolarHBondContact SG-CB 3.42Å; C377-C388 CovalentContact SG-SG 2.02Å; C377-C388 PolarHBondContact SG-SG 3.33Å; C377-L399 HydrophobicContact CB-CD2 3.78Å; C377-L430 HydrophobicContact CB-CD1 4.28Å; C377-L430 HydrophobicContact CB-CD2 4.22Å
378	S	98.6	Very high	98.1	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-45.8	177.4	177.3	0	0	0	0	111.8	A374 E375 C382 Q383 G384 G386	A374-S378 VanDerWaalsContact O-CB 3.32Å; A374-S378 WeakPolarHBondContact O-CB 3.28Å; A374-S378 PolarHBondContact O-N 3.35Å; E375-S378 WeakPolarHBondContact O-CB 3.43Å; E375-S378 PolarHBondContact O-N 2.81Å; E375-S378 VanDerWaalsContact O-N 3.12Å; S378-C382 CarbonylContact O-C 3.56Å; S378-C382 VanDerWaalsContact O-CA 3.27Å; S378-C382 WeakPolarHBondContact O-CA 3.43Å; S378-C382 WeakPolarHBondContact O-CB 3.45Å; S378-C382 PolarHBondContact O-N 3.38Å; S378-Q383 PolarHBondContact O-N 3.43Å; S378-G384 PolarHBondContact O-N 3.4Å; S378-G386 WeakPolarHBondContact CB-O 3.43Å; S378-G386 PolarHBondContact OG-O 3.24Å
379	E	98	Very high	98.1	Very high	89 Å²	89	25.5 Å²	25.5	42%	0.416	13%	0.13	S	C	.	.	H	α-helix	trans	-63.4	-47.3	177.9	-71.5	174.7	175.1	0	0	111.4	E375 C377 Q383	E375-E379 WeakPolarHBondContact O-CG 3.49Å; E375-E379 PolarHBondContact O-N 3.24Å; C377-E379 PolarHBondContact O-N 3.28Å; E379-Q383 WeakPolarHBondContact O-CA 3.03Å; E379-Q383 PolarHBondContact O-N 3.36Å
380	F	98	Very high	98.1	Very high	67 Å²	67	24.1 Å²	24.1	29%	0.294	12%	0.122	S	C	.	.	H	α-helix	trans	-75.4	-55	-174.6	175.3	-109.8	0	0	0	113.9	V376 C377 L427 L430 R446	V376-F380 VanDerWaalsContact O-CB 3.26Å; V376-F380 WeakPolarHBondContact O-CB 3.44Å; V376-F380 PolarHBondContact O-N 3.08Å; C377-F380 PolarHBondContact O-N 3.16Å; F380-L427 HydrophobicContact CB-CD2 4.3Å; F380-L427 HydrophobicContact CD1-CB 4.45Å; F380-L427 HydrophobicContact CD1-CD2 3.71Å; F380-L427 HydrophobicContact CD2-CD1 4.19Å; F380-L427 HydrophobicContact CD2-CD2 3.7Å; F380-L427 HydrophobicContact CD2-CG 4.43Å; F380-L427 HydrophobicContact CE1-CB 3.79Å; F380-L427 HydrophobicContact CE1-CD2 3.91Å; F380-L427 HydrophobicContact CE1-CG 4.33Å; F380-L427 HydrophobicContact CE2-CB 4.18Å; F380-L427 HydrophobicContact CE2-CD1 3.75Å; F380-L427 HydrophobicContact CE2-CD2 3.9Å; F380-L427 HydrophobicContact CE2-CG 4.15Å; F380-L427 HydrophobicContact CG-CD2 3.62Å; F380-L427 HydrophobicContact CZ-CB 3.64Å; F380-L427 HydrophobicContact CZ-CD1 4.09Å; F380-L427 HydrophobicContact CZ-CD2 4.01Å; F380-L427 HydrophobicContact CZ-CG 4.11Å; F380-L430 HydrophobicContact CD1-CD1 4.41Å; F380-R446 PolarHBondContact O-NH2 3.1Å; F380-R446 VanDerWaalsContact O-NH2 3.09Å
381	L	98.1	Very high	98	Very high	16 Å²	16	28.5 Å²	28.5	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-78.1	-40.9	-176.3	-67.4	-173.9	0	0	0	111.4	C377 L430 F434 C436 R446	C377-L381 WeakPolarHBondContact O-CB 3.22Å; C377-L381 PolarHBondContact O-N 3.35Å; L381-L430 HydrophobicContact CD1-CB 4.13Å; L381-L430 HydrophobicContact CG-CB 4.38Å; L381-F434 HydrophobicContact CD1-CB 3.89Å; L381-C436 PolarHBondContact O-SG 3.19Å; L381-C436 VanDerWaalsContact O-SG 3.4Å; L381-R446 WeakPolarHBondContact O-CA 3.39Å; L381-R446 WeakPolarHBondContact O-CB 3.34Å
382	C	98	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-113.7	14.2	-164.7	-46.4	0	0	0	0	114.2	S378 G384 N385 C436 R446 C447	S378-C382 CarbonylContact O-C 3.56Å; S378-C382 VanDerWaalsContact O-CA 3.27Å; S378-C382 WeakPolarHBondContact O-CA 3.43Å; S378-C382 WeakPolarHBondContact O-CB 3.45Å; S378-C382 PolarHBondContact O-N 3.38Å; C382-G384 PolarHBondContact O-N 3.09Å; C382-N385 WeakPolarHBondContact O-CA 3.28Å; C382-N385 PolarHBondContact O-N 3.46Å; C382-C436 WeakPolarHBondContact CA-SG 3.41Å; C382-C436 HydrophobicContact CB-CB 3.92Å; C382-C436 WeakPolarHBondContact CB-SG 3.38Å; C382-C436 PolarHBondContact N-SG 3.5Å; C382-C436 WeakPolarHBondContact SG-CA 3.22Å; C382-C436 WeakPolarHBondContact SG-CB 3.08Å; C382-C436 CovalentContact SG-SG 2.04Å; C382-C436 PolarHBondContact SG-SG 2.8Å; C382-R446 CarbonylContact C-O 3.48Å; C382-R446 WeakPolarHBondContact CA-O 3.09Å; C382-C447 HydrophobicContact CB-CB 4.47Å
383	Q	96.8	Very high	97.8	Very high	93 Å²	93	31.1 Å²	31.1	44%	0.435	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	21.6	-179.7	-56.8	-55.5	-62.6	0	0	114.4	S378 E379 N385 D448	S378-Q383 PolarHBondContact O-N 3.43Å; E379-Q383 WeakPolarHBondContact O-CA 3.03Å; E379-Q383 PolarHBondContact O-N 3.36Å; Q383-N385 PolarHBondContact O-N 3.03Å; Q383-D448 HydrophobicContact CG-CB 4.09Å
384	G	97	Very high	97.6	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	1.7	-171.9	0	0	0	0	0	115	S378 C382	S378-G384 PolarHBondContact O-N 3.4Å; C382-G384 PolarHBondContact O-N 3.09Å
385	N	97.8	Very high	97.5	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	20%	0.197	S	C	.	.	S	Bend	trans	-104.3	11.7	-176	-64.7	-27.7	0	0	0	113.2	C382 Q383 Y439 H442 C447	C382-N385 WeakPolarHBondContact O-CA 3.28Å; C382-N385 PolarHBondContact O-N 3.46Å; Q383-N385 PolarHBondContact O-N 3.03Å; N385-Y439 VanDerWaalsContact O-CD2 3.29Å; N385-Y439 WeakPolarHBondContact O-CD2 3.4Å; N385-Y439 PolarHBondContact O-N 3.41Å; N385-H442 HydrophobicContact CB-CB 4.19Å; N385-H442 PolarHBondContact ND2-CE1 3.31Å; N385-H442 PolarHBondContact OD1-CE1 2.9Å; N385-C447 HydrophobicContact CB-CB 3.78Å; N385-C447 VanDerWaalsContact CB-O 3.28Å; N385-C447 WeakPolarHBondContact CB-O 3.26Å; N385-C447 PolarHBondContact ND2-O 3.32Å; N385-C447 VanDerWaalsContact ND2-O 3.14Å
386	G	97.9	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	171.6	174.3	0	0	0	0	0	111.6	S378 H437	S378-G386 WeakPolarHBondContact CB-O 3.43Å; S378-G386 PolarHBondContact OG-O 3.24Å; G386-H437 WeakPolarHBondContact CA-O 3.45Å
387	R	98.2	Very high	97.4	Very high	13 Å²	13	43.3 Å²	43.3	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	151.3	169.3	63.3	-174.9	63.6	171.9	3.3	110.5	P47 G333 A335 V389 H437	P47-R387 HydrophobicContact CB-CB 4.04Å; G333-R387 WeakPolarHBondContact O-CD 3.42Å; G333-R387 PolarHBondContact O-NH1 3Å; A335-R387 VanDerWaalsContact CA-NH1 3.26Å; A335-R387 VanDerWaalsContact N-NH1 3.2Å; R387-V389 HydrophobicContact CG-CG2 4.38Å; R387-H437 HydrophobicContact CG-CB 4.12Å; R387-H437 PolarHBondContact N-O 2.71Å; R387-H437 PolarHBondContact O-N 2.91Å
388	C	98.5	Very high	97.4	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.1	172.7	-68.3	0	0	0	0	111.1	C377 L399 F434 R435	C377-C388 HydrophobicContact CB-CB 3.9Å; C377-C388 WeakPolarHBondContact CB-SG 3.33Å; C377-C388 PolarHBondContact O-SG 3.05Å; C377-C388 WeakPolarHBondContact SG-CB 3.42Å; C377-C388 CovalentContact SG-SG 2.02Å; C377-C388 PolarHBondContact SG-SG 3.33Å; C388-L399 HydrophobicContact CB-CD1 4.23Å; C388-L399 HydrophobicContact CB-CD2 4.27Å; C388-F434 HydrophobicContact CB-CB 4.16Å; C388-F434 HydrophobicContact CB-CD1 4.21Å; C388-F434 HydrophobicContact CB-CG 4.4Å; C388-R435 WeakPolarHBondContact CA-O 3.46Å
389	V	98.3	Very high	97.4	Very high	13 Å²	13	45.4 Å²	45.4	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.3	174.3	-176.4	0	0	0	0	108.3	R387 Q391 F434 R435 H437	R387-V389 HydrophobicContact CG-CG2 4.38Å; V389-Q391 PolarHBondContact O-N 3.48Å; V389-F434 CarbonylContact O-C 3.47Å; V389-F434 WeakPolarHBondContact O-CA 3.23Å; V389-R435 PolarHBondContact N-O 3.19Å; V389-R435 PolarHBondContact O-N 2.92Å; V389-H437 HydrophobicContact CG2-CB 3.56Å
390	R	98.3	Very high	97.4	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	132.3	179.5	-172.1	168.5	62.6	-146.4	3.7	109.9	E328 A331 D392 P393 A395 H397 F434	E328-R390 IonicContact OE1-CZ 3.74Å; E328-R390 IonicContact OE1-NH1 2.7Å; E328-R390 IonicContact OE1-NH2 3.91Å; E328-R390 PolarHBondContact OE1-NH2 3.18Å; E328-R390 IonicContact OE2-CZ 3.32Å; E328-R390 IonicContact OE2-NH1 3.7Å; E328-R390 PolarHBondContact OE2-NH1 3.36Å; E328-R390 IonicContact OE2-NH2 2.72Å; E328-R390 PolarHBondContact OE2-NH2 2.91Å; A331-R390 WeakPolarHBondContact O-CB 3.39Å; A331-R390 PolarHBondContact O-N 2.89Å; R390-D392 WeakPolarHBondContact CD-O 3.43Å; R390-D392 VanDerWaalsContact CG-O 3.25Å; R390-D392 WeakPolarHBondContact CG-O 3.43Å; R390-D392 PolarHBondContact NE-O 2.88Å; R390-P393 PolarHBondContact NH2-O 3.4Å; R390-A395 WeakPolarHBondContact CD-O 3.41Å; R390-A395 PolarHBondContact NE-O 3.09Å; R390-A395 PolarHBondContact NH1-O 3.18Å; R390-H397 VanDerWaalsContact CD-O 3.29Å; R390-H397 WeakPolarHBondContact CD-O 3.37Å; R390-H397 HydrophobicContact CG-CB 4.3Å; R390-H397 PolarHBondContact NH1-O 3.39Å; R390-F434 HydrophobicContact CB-CD1 4.24Å; R390-F434 HydrophobicContact CB-CE1 3.95Å; R390-F434 HydrophobicContact CG-CE1 4.48Å
391	Q	96.4	Very high	97.3	Very high	93 Å²	93	41.6 Å²	41.6	44%	0.435	22%	0.216	S	C	.	.	S	Bend	trans	-66.9	-51.2	-177	-71.5	-173.1	41.4	0	0	111.8	V389 P393 T431 N432 R433 F434 R435	V389-Q391 PolarHBondContact O-N 3.48Å; Q391-P393 WeakPolarHBondContact O-CD 3.49Å; Q391-T431 PolarHBondContact NE2-O 3.37Å; Q391-N432 PolarHBondContact NE2-O 3.26Å; Q391-R433 PolarHBondContact N-O 3.01Å; Q391-F434 PolarHBondContact NE2-O 3.13Å; Q391-R435 HydrophobicContact CG-CB 4.01Å; Q391-R435 HydrophobicContact CG-CG 4.2Å
392	D	97.2	Very high	97.2	Very high	85 Å²	85	42.2 Å²	42.2	46%	0.455	22%	0.222	S	C	.	.	S	Bend	trans	-95.6	108.6	172.1	177.6	2.1	0	0	0	109.8	R390 L394 A395	R390-D392 WeakPolarHBondContact CD-O 3.43Å; R390-D392 VanDerWaalsContact CG-O 3.25Å; R390-D392 WeakPolarHBondContact CG-O 3.43Å; R390-D392 PolarHBondContact NE-O 2.88Å; D392-L394 PolarHBondContact O-N 3.04Å; D392-L394 VanDerWaalsContact O-N 3.12Å; D392-L394 PolarHBondContact OD1-N 2.75Å; D392-A395 HydrophobicContact CB-CB 3.85Å; D392-A395 PolarHBondContact O-N 3.32Å
393	P	93.5	Very high	97	Very high	53 Å²	53	47.5 Å²	47.5	34%	0.344	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	178.7	-24.2	35.6	0	0	0	113.7	H280 R390 Q391	H280-P393 PolarHBondContact CE1-O 3.22Å; R390-P393 PolarHBondContact NH2-O 3.4Å; Q391-P393 WeakPolarHBondContact O-CD 3.49Å
394	L	95.4	Very high	96.8	Very high	118 Å²	118	50.8 Å²	50.8	62%	0.618	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.4	-178.6	-62	178.8	0	0	0	113.5	W276 D392	W276-L394 HydrophobicContact CH2-CD2 4.48Å; D392-L394 PolarHBondContact O-N 3.04Å; D392-L394 VanDerWaalsContact O-N 3.12Å; D392-L394 PolarHBondContact OD1-N 2.75Å
395	A	96.9	Very high	96.6	Very high	17 Å²	17	52 Å²	52	14%	0.14	27%	0.274	C	S	.	.	S	Bend	trans	-73.9	147.5	179.5	0	0	0	0	0	112.2	R390 D392 H397	R390-A395 WeakPolarHBondContact CD-O 3.41Å; R390-A395 PolarHBondContact NE-O 3.09Å; R390-A395 PolarHBondContact NH1-O 3.18Å; D392-A395 HydrophobicContact CB-CB 3.85Å; D392-A395 PolarHBondContact O-N 3.32Å; A395-H397 VanDerWaalsContact CB-CE1 3.47Å; A395-H397 WeakPolarHBondContact CB-CE1 3.45Å; A395-H397 WeakPolarHBondContact CB-ND1 3.27Å; A395-H397 PolarHBondContact O-N 3.44Å
396	H	96.4	Very high	96.6	Very high	104 Å²	104	50.4 Å²	50.4	48%	0.481	27%	0.265	S	S	.	.			trans	-88.1	45.7	-179	-58.6	131.9	0	0	0	113.4	W276 Y398	W276-H396 AromaticContact CD2-NE2 3.85Å; W276-H396 AromaticContact CE2-CD2 3.64Å; W276-H396 AromaticContact CE2-NE2 3.77Å; W276-H396 AromaticContact CZ2-CD2 3.84Å; W276-H396 AromaticContact CZ2-NE2 3.92Å; W276-H396 AromaticContact NE1-CD2 3.8Å; H396-Y398 HydrophobicContact CB-CE2 4.1Å; H396-Y398 VanDerWaalsContact O-CD2 3.31Å; H396-Y398 WeakPolarHBondContact O-CD2 3.32Å; H396-Y398 VanDerWaalsContact O-CE2 3.3Å; H396-Y398 WeakPolarHBondContact O-CE2 3.5Å
397	H	97.5	Very high	96.5	Very high	60 Å²	60	56 Å²	56	28%	0.278	29%	0.29	S	S	.	.			trans	-89.2	136.1	174.1	-54.4	109.8	0	0	0	110.2	R390 A395 R433 F434	R390-H397 VanDerWaalsContact CD-O 3.29Å; R390-H397 WeakPolarHBondContact CD-O 3.37Å; R390-H397 HydrophobicContact CG-CB 4.3Å; R390-H397 PolarHBondContact NH1-O 3.39Å; A395-H397 VanDerWaalsContact CB-CE1 3.47Å; A395-H397 WeakPolarHBondContact CB-CE1 3.45Å; A395-H397 WeakPolarHBondContact CB-ND1 3.27Å; A395-H397 PolarHBondContact O-N 3.44Å; H397-R433 HydrophobicContact CB-CB 4.17Å; H397-R433 HydrophobicContact CB-CG 4.4Å; H397-R433 WeakPolarHBondContact CD2-CD 3.17Å; H397-R433 PolarHBondContact CD2-NE 3.41Å; H397-R433 PolarHBondContact NE2-NE 3.18Å; H397-F434 HydrophobicContact CB-CE2 4.36Å; H397-F434 HydrophobicContact CB-CZ 4.23Å
398	Y	98.3	Very high	96.3	Very high	43 Å²	43	56.2 Å²	56.2	17%	0.169	29%	0.293	C	S	.	.			trans	-130.8	152.8	-178.3	-59.1	-80.2	0	0	0	110.9	W276 I323 E328 A331 H396 H400	W276-Y398 PolarHBondContact NE1-OH 3.28Å; I323-Y398 HydrophobicContact CG2-CD1 3.92Å; I323-Y398 HydrophobicContact CG2-CD2 3.72Å; I323-Y398 HydrophobicContact CG2-CE1 3.66Å; I323-Y398 HydrophobicContact CG2-CE2 3.47Å; I323-Y398 VanDerWaalsContact CG2-CE2 3.47Å; I323-Y398 HydrophobicContact CG2-CG 3.94Å; I323-Y398 VanDerWaalsContact CG2-CZ 3.43Å; E328-Y398 HydrophobicContact CB-CE1 4.27Å; E328-Y398 VanDerWaalsContact OE2-CE1 3.31Å; E328-Y398 WeakPolarHBondContact OE2-CE1 3.36Å; A331-Y398 HydrophobicContact CB-CD1 4.31Å; H396-Y398 HydrophobicContact CB-CE2 4.1Å; H396-Y398 VanDerWaalsContact O-CD2 3.31Å; H396-Y398 WeakPolarHBondContact O-CD2 3.32Å; H396-Y398 VanDerWaalsContact O-CE2 3.3Å; H396-Y398 WeakPolarHBondContact O-CE2 3.5Å; Y398-H400 WeakPolarHBondContact CB-CE1 3.01Å; Y398-H400 AromaticContact CG-CE1 3.9Å; Y398-H400 PolarHBondContact O-N 2.99Å; Y398-H400 VanDerWaalsContact O-N 3.16Å
399	L	98.3	Very high	96.1	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	31%	0.307	C	S	.	.			trans	-81.5	88.4	172.3	-67.2	171	0	0	0	108.8	A373 A374 C377 C388 L430 F434	A373-L399 VanDerWaalsContact CB-C 3.45Å; A373-L399 HydrophobicContact CB-CB 4.23Å; A373-L399 WeakPolarHBondContact CB-O 3.38Å; A374-L399 HydrophobicContact CB-CD1 4.18Å; C377-L399 HydrophobicContact CB-CD2 3.78Å; C388-L399 HydrophobicContact CB-CD1 4.23Å; C388-L399 HydrophobicContact CB-CD2 4.27Å; L399-L430 HydrophobicContact CD2-CD2 4.15Å; L399-F434 HydrophobicContact CD1-CE1 4.38Å; L399-F434 HydrophobicContact CD2-CD1 3.96Å; L399-F434 HydrophobicContact CD2-CD2 4.11Å; L399-F434 HydrophobicContact CD2-CE1 3.75Å; L399-F434 HydrophobicContact CD2-CE2 3.89Å; L399-F434 HydrophobicContact CD2-CG 4.16Å; L399-F434 HydrophobicContact CD2-CZ 3.72Å; L399-F434 HydrophobicContact CG-CD1 4.31Å; L399-F434 HydrophobicContact CG-CE1 3.72Å; L399-F434 HydrophobicContact CG-CE2 4.5Å; L399-F434 HydrophobicContact CG-CZ 3.84Å
400	H	98	Very high	95.7	Very high	62 Å²	62	63.3 Å²	63.3	29%	0.287	33%	0.332	S	S	.	.			trans	-127	146.4	173.1	-62.1	141.2	0	0	0	111	Y366 N369 Y398	Y366-H400 AromaticContact CE2-NE2 3.69Å; Y366-H400 AromaticContact CZ-NE2 3.58Å; Y366-H400 PolarHBondContact OH-NE2 3.15Å; N369-H400 WeakPolarHBondContact OD1-CA 3.14Å; N369-H400 WeakPolarHBondContact OD1-CB 3.31Å; Y398-H400 WeakPolarHBondContact CB-CE1 3.01Å; Y398-H400 AromaticContact CG-CE1 3.9Å; Y398-H400 PolarHBondContact O-N 2.99Å; Y398-H400 VanDerWaalsContact O-N 3.16Å
401	L	97.2	Very high	95.1	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.073	36%	0.356	C	S	.	.			trans	-67.5	132.7	171	-60.3	-179.7	0	0	0	109.8	N369 R372 A373 S403 Y406 I408 V418	N369-L401 PolarHBondContact OD1-N 3.26Å; R372-L401 HydrophobicContact CB-CD1 4.04Å; R372-L401 HydrophobicContact CB-CD2 4.45Å; R372-L401 HydrophobicContact CG-CD1 3.98Å; R372-L401 HydrophobicContact CG-CD2 4.18Å; A373-L401 HydrophobicContact CB-CD2 3.91Å; A373-L401 HydrophobicContact CB-CG 4.15Å; L401-S403 PolarHBondContact O-N 3.27Å; L401-Y406 HydrophobicContact CB-CD2 3.87Å; L401-Y406 HydrophobicContact CB-CG 3.93Å; L401-Y406 HydrophobicContact CD1-CD1 4.17Å; L401-Y406 HydrophobicContact CD1-CG 4.15Å; L401-Y406 HydrophobicContact CD2-CD1 4.23Å; L401-Y406 HydrophobicContact CD2-CD2 4.04Å; L401-Y406 HydrophobicContact CD2-CE1 4.11Å; L401-Y406 HydrophobicContact CD2-CE2 3.93Å; L401-Y406 HydrophobicContact CD2-CG 4.16Å; L401-Y406 HydrophobicContact CG-CD2 4.43Å; L401-Y406 HydrophobicContact CG-CG 4.31Å; L401-I408 HydrophobicContact CD1-CD1 4.45Å; L401-V418 HydrophobicContact CD1-CG1 3.61Å; L401-V418 HydrophobicContact CD1-CG2 4.36Å
402	S	94.9	Very high	94	Very high	28 Å²	28	67.1 Å²	67.1	20%	0.196	37%	0.374	C	S	.	.			trans	-63.2	127.3	173.5	175.1	0	0	0	0	110.5	E404 N405 Y406 D426	S402-E404 PolarHBondContact O-N 2.73Å; S402-E404 PolarHBondContact OG-N 2.53Å; S402-N405 PolarHBondContact O-N 3.44Å; S402-Y406 WeakPolarHBondContact O-CB 3.45Å; S402-Y406 PolarHBondContact O-N 3.23Å; S402-D426 VanDerWaalsContact CB-OD1 3.3Å; S402-D426 WeakPolarHBondContact CB-OD1 3.31Å
403	S	93.6	Very high	92.9	Very high	111 Å²	111	67.3 Å²	67.3	78%	0.776	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.5	177.8	52.2	0	0	0	0	113.9	L401	L401-S403 PolarHBondContact O-N 3.27Å
404	E	92.9	Very high	92	Very high	163 Å²	163	65.2 Å²	65.2	76%	0.762	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-37	176.5	-64.3	176.2	-178.8	0	0	111.3	S402	S402-E404 PolarHBondContact O-N 2.73Å; S402-E404 PolarHBondContact OG-N 2.53Å
405	N	93.9	Very high	91.5	Very high	53 Å²	53	60 Å²	60	28%	0.283	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-19.8	-171.5	-58.3	-52.1	0	0	0	113.6	S402 G420 W421 S423 D426	S402-N405 PolarHBondContact O-N 3.44Å; N405-G420 VanDerWaalsContact O-CA 3.24Å; N405-G420 WeakPolarHBondContact O-CA 3.06Å; N405-W421 WeakPolarHBondContact CB-O 3.02Å; N405-S423 WeakPolarHBondContact ND2-CB 3.46Å; N405-S423 PolarHBondContact ND2-OG 2.69Å; N405-S423 VanDerWaalsContact ND2-OG 3.13Å; N405-D426 PolarHBondContact ND2-OD2 3.01Å
406	Y	96	Very high	91.3	Very high	17 Å²	17	60.6 Å²	60.6	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.2	177.4	-67.8	-86.6	0	0	0	112.1	L401 S402 V418 S419 G420 P422	L401-Y406 HydrophobicContact CB-CD2 3.87Å; L401-Y406 HydrophobicContact CB-CG 3.93Å; L401-Y406 HydrophobicContact CD1-CD1 4.17Å; L401-Y406 HydrophobicContact CD1-CG 4.15Å; L401-Y406 HydrophobicContact CD2-CD1 4.23Å; L401-Y406 HydrophobicContact CD2-CD2 4.04Å; L401-Y406 HydrophobicContact CD2-CE1 4.11Å; L401-Y406 HydrophobicContact CD2-CE2 3.93Å; L401-Y406 HydrophobicContact CD2-CG 4.16Å; L401-Y406 HydrophobicContact CG-CD2 4.43Å; L401-Y406 HydrophobicContact CG-CG 4.31Å; S402-Y406 WeakPolarHBondContact O-CB 3.45Å; S402-Y406 PolarHBondContact O-N 3.23Å; Y406-V418 HydrophobicContact CD1-CG1 3.75Å; Y406-V418 HydrophobicContact CE1-CG1 4.47Å; Y406-S419 VanDerWaalsContact CA-O 3.32Å; Y406-S419 WeakPolarHBondContact CA-O 3.44Å; Y406-G420 WeakPolarHBondContact CE1-O 3.38Å; Y406-P422 HydrophobicContact CE2-CB 4.31Å; Y406-P422 WeakPolarHBondContact OH-CD 3.3Å; Y406-P422 VanDerWaalsContact OH-N 3.13Å
407	Q	96	Very high	91.1	Very high	116 Å²	116	58.3 Å²	58.3	54%	0.542	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	170.5	-59	-178	0.6	0	0	109.7	H409 V418 S419	Q407-H409 WeakPolarHBondContact CB-NE2 3.47Å; Q407-H409 PolarHBondContact OE1-CE1 3.34Å; Q407-H409 PolarHBondContact OE1-NE2 2.84Å; Q407-V418 WeakPolarHBondContact O-CA 3.44Å; Q407-S419 PolarHBondContact N-O 2.79Å; Q407-S419 PolarHBondContact O-N 2.89Å; Q407-S419 PolarHBondContact O-OG 3.11Å
408	I	95.6	Very high	91	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.8	176.3	-57.5	170.8	0	0	0	107.5	R365 T368 N369 L401 F416 T417 V418	R365-I408 HydrophobicContact CG-CB 4.37Å; R365-I408 HydrophobicContact CG-CD1 4.3Å; R365-I408 HydrophobicContact CG-CG2 4.02Å; T368-I408 HydrophobicContact CG2-CG2 4.11Å; N369-I408 HydrophobicContact CB-CD1 3.62Å; L401-I408 HydrophobicContact CD1-CD1 4.45Å; I408-F416 HydrophobicContact CG2-CB 3.92Å; I408-F416 HydrophobicContact CG2-CD1 3.83Å; I408-F416 HydrophobicContact CG2-CG 4.24Å; I408-T417 CarbonylContact C-O 3.07Å; I408-T417 WeakPolarHBondContact CA-O 3.2Å; I408-V418 HydrophobicContact CG1-CG2 4.28Å
409	H	92.8	Very high	90.9	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.338	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.6	-176.2	-57.6	-75.4	0	0	0	111.1	Q407 F416 T417 S419	Q407-H409 WeakPolarHBondContact CB-NE2 3.47Å; Q407-H409 PolarHBondContact OE1-CE1 3.34Å; Q407-H409 PolarHBondContact OE1-NE2 2.84Å; H409-F416 CarbonylContact O-C 3.58Å; H409-F416 VanDerWaalsContact O-CA 3.3Å; H409-F416 WeakPolarHBondContact O-CA 3.43Å; H409-T417 PolarHBondContact N-O 2.92Å; H409-T417 PolarHBondContact O-N 3.26Å; H409-S419 PolarHBondContact NE2-OG 3.1Å; H409-S419 VanDerWaalsContact NE2-OG 3.16Å
410	P	91	Very high	90.8	Very high	92 Å²	92	59.5 Å²	59.5	60%	0.597	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.3	170.5	30.8	-31.8	0	0	0	110.5	F416	P410-F416 HydrophobicContact CB-CD1 4.27Å; P410-F416 HydrophobicContact CB-CE1 4.13Å
411	L	85.3	Confident	90.7	Very high	96 Å²	96	66.5 Å²	66.5	50%	0.503	38%	0.378	S	S	.	.			trans	-93.1	16.3	-180	-64.5	-178.6	0	0	0	114.1	N413 T415 T417	L411-N413 PolarHBondContact O-N 3.19Å; L411-T415 WeakPolarHBondContact CD1-OG1 3.43Å; L411-T415 PolarHBondContact N-O 2.93Å; L411-T417 HydrophobicContact CD1-CG2 3.47Å; L411-T417 VanDerWaalsContact CD1-CG2 3.47Å; L411-T417 HydrophobicContact CD2-CG2 4.07Å; L411-T417 HydrophobicContact CG-CG2 3.9Å
412	G	74.1	Confident	90.6	Very high	80 Å²	80	67.6 Å²	67.6	83%	0.825	39%	0.386	S	S	*	.	S	Bend	trans	75.1	-27.2	177.9	0	0	0	0	0	115.9	G414	G412-G414 VanDerWaalsContact C-N 3.28Å; G412-G414 PolarHBondContact O-N 3.18Å
413	N	72.7	Confident	90.6	Very high	90 Å²	90	67.9 Å²	67.9	48%	0.481	39%	0.388	S	S	.	.	S	Bend	trans	-86.6	9.8	175	66.7	-3.9	0	0	0	113.9	L411 T415	L411-N413 PolarHBondContact O-N 3.19Å; N413-T415 VanDerWaalsContact C-N 3.34Å; N413-T415 PolarHBondContact ND2-OG1 3.13Å; N413-T415 VanDerWaalsContact OD1-CB 3.28Å; N413-T415 WeakPolarHBondContact OD1-CB 3.38Å; N413-T415 WeakPolarHBondContact OD1-CG2 3.45Å; N413-T415 PolarHBondContact OD1-N 3.02Å; N413-T415 PolarHBondContact OD1-OG1 3.17Å
414	G	74.4	Confident	90.8	Very high	8 Å²	8	69.4 Å²	69.4	8%	0.082	38%	0.383	C	S	.	.	S	Bend	trans	84.6	3.6	-175.9	0	0	0	0	0	115.1	G412	G412-G414 VanDerWaalsContact C-N 3.28Å; G412-G414 PolarHBondContact O-N 3.18Å
415	T	85.4	Confident	90.9	Very high	8 Å²	8	66.2 Å²	66.2	5%	0.049	37%	0.371	C	S	.	.			trans	-95.3	163.2	172	71.9	0	0	0	0	111.4	N68 H71 L411 N413	N68-T415 HydrophobicContact CB-CG2 4.19Å; N68-T415 VanDerWaalsContact ND2-CG2 3.26Å; N68-T415 WeakPolarHBondContact ND2-CG2 3.28Å; H71-T415 HydrophobicContact CB-CG2 3.51Å; L411-T415 WeakPolarHBondContact CD1-OG1 3.43Å; L411-T415 PolarHBondContact N-O 2.93Å; N413-T415 VanDerWaalsContact C-N 3.34Å; N413-T415 PolarHBondContact ND2-OG1 3.13Å; N413-T415 VanDerWaalsContact OD1-CB 3.28Å; N413-T415 WeakPolarHBondContact OD1-CB 3.38Å; N413-T415 WeakPolarHBondContact OD1-CG2 3.45Å; N413-T415 PolarHBondContact OD1-N 3.02Å; N413-T415 PolarHBondContact OD1-OG1 3.17Å
416	F	92.4	Very high	91	Very high	30 Å²	30	64.7 Å²	64.7	13%	0.132	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.4	-177.5	-61	-94.4	0	0	0	109.8	L72 T360 G364 R365 T368 I408 H409 P410	L72-F416 HydrophobicContact CD2-CD2 3.68Å; L72-F416 HydrophobicContact CD2-CE2 3.87Å; T360-F416 WeakPolarHBondContact O-CZ 3.37Å; G364-F416 VanDerWaalsContact C-CE2 3.42Å; R365-F416 HydrophobicContact CB-CD1 4.33Å; R365-F416 HydrophobicContact CB-CE1 3.81Å; R365-F416 HydrophobicContact CB-CZ 4.21Å; R365-F416 HydrophobicContact CG-CE1 4.49Å; T368-F416 HydrophobicContact CG2-CB 3.97Å; I408-F416 HydrophobicContact CG2-CB 3.92Å; I408-F416 HydrophobicContact CG2-CD1 3.83Å; I408-F416 HydrophobicContact CG2-CG 4.24Å; H409-F416 CarbonylContact O-C 3.58Å; H409-F416 VanDerWaalsContact O-CA 3.3Å; H409-F416 WeakPolarHBondContact O-CA 3.43Å; P410-F416 HydrophobicContact CB-CD1 4.27Å; P410-F416 HydrophobicContact CB-CE1 4.13Å
417	T	93.3	Very high	91	Very high	57 Å²	57	64.9 Å²	64.9	35%	0.35	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	149.7	167.9	52.3	0	0	0	0	109.8	I408 H409 L411	I408-T417 CarbonylContact C-O 3.07Å; I408-T417 WeakPolarHBondContact CA-O 3.2Å; H409-T417 PolarHBondContact N-O 2.92Å; H409-T417 PolarHBondContact O-N 3.26Å; L411-T417 HydrophobicContact CD1-CG2 3.47Å; L411-T417 VanDerWaalsContact CD1-CG2 3.47Å; L411-T417 HydrophobicContact CD2-CG2 4.07Å; L411-T417 HydrophobicContact CG-CG2 3.9Å
418	V	95.9	Very high	91.1	Very high	49 Å²	49	63.6 Å²	63.6	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.3	175.2	-174	0	0	0	0	107.9	T368 R372 L401 Y406 Q407 I408	T368-V418 HydrophobicContact CG2-CG2 3.42Å; T368-V418 VanDerWaalsContact CG2-CG2 3.42Å; R372-V418 HydrophobicContact CG-CG1 4.36Å; R372-V418 HydrophobicContact CG-CG2 4.39Å; L401-V418 HydrophobicContact CD1-CG1 3.61Å; L401-V418 HydrophobicContact CD1-CG2 4.36Å; Y406-V418 HydrophobicContact CD1-CG1 3.75Å; Y406-V418 HydrophobicContact CE1-CG1 4.47Å; Q407-V418 WeakPolarHBondContact O-CA 3.44Å; I408-V418 HydrophobicContact CG1-CG2 4.28Å
419	S	96.1	Very high	91.1	Very high	49 Å²	49	65.3 Å²	65.3	34%	0.343	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.2	168.9	60.1	0	0	0	0	109.3	Y406 Q407 H409	Y406-S419 VanDerWaalsContact CA-O 3.32Å; Y406-S419 WeakPolarHBondContact CA-O 3.44Å; Q407-S419 PolarHBondContact N-O 2.79Å; Q407-S419 PolarHBondContact O-N 2.89Å; Q407-S419 PolarHBondContact O-OG 3.11Å; H409-S419 PolarHBondContact NE2-OG 3.1Å; H409-S419 VanDerWaalsContact NE2-OG 3.16Å
420	G	95.4	Very high	91.4	Very high	34 Å²	34	63.1 Å²	63.1	35%	0.351	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.4	174.1	-179.3	0	0	0	0	0	114.4	N405 Y406	N405-G420 VanDerWaalsContact O-CA 3.24Å; N405-G420 WeakPolarHBondContact O-CA 3.06Å; Y406-G420 WeakPolarHBondContact CE1-O 3.38Å
421	W	95.2	Very high	91.7	Very high	209 Å²	209	61.6 Å²	61.6	79%	0.792	35%	0.346	S	S	*	.			trans	-142.5	152.9	-174.3	-62.8	99.6	0	0	0	109.2	N405	N405-W421 WeakPolarHBondContact CB-O 3.02Å
422	P	95.5	Very high	92.3	Very high	38 Å²	38	61.7 Å²	61.7	25%	0.247	35%	0.347	C	S	.	.			trans	-70.5	136.8	-179.3	29.9	-28.3	0	0	0	110.1	V376 Y406 D426 L427	V376-P422 HydrophobicContact CG1-CB 4.39Å; V376-P422 HydrophobicContact CG1-CG 4.17Å; Y406-P422 HydrophobicContact CE2-CB 4.31Å; Y406-P422 WeakPolarHBondContact OH-CD 3.3Å; Y406-P422 VanDerWaalsContact OH-N 3.13Å; P422-D426 HydrophobicContact CB-CB 4.17Å; P422-L427 HydrophobicContact CB-CD2 3.74Å; P422-L427 HydrophobicContact CB-CG 4.13Å; P422-L427 HydrophobicContact CG-CD2 3.73Å; P422-L427 HydrophobicContact CG-CG 4.3Å
423	S	96.1	Very high	93.4	Very high	34 Å²	34	62.1 Å²	62.1	24%	0.238	32%	0.324	C	S	.	.			trans	-75	164.5	170.5	68.1	0	0	0	0	111.2	N405 N425 D426 L427	N405-S423 WeakPolarHBondContact ND2-CB 3.46Å; N405-S423 PolarHBondContact ND2-OG 2.69Å; N405-S423 VanDerWaalsContact ND2-OG 3.13Å; S423-N425 PolarHBondContact O-N 3.17Å; S423-N425 PolarHBondContact OG-N 3.03Å; S423-D426 PolarHBondContact N-OD2 3.01Å; S423-D426 WeakPolarHBondContact O-CB 3.23Å; S423-D426 PolarHBondContact O-N 3.36Å; S423-D426 PolarHBondContact OG-N 2.94Å; S423-D426 VanDerWaalsContact OG-N 3.14Å; S423-D426 PolarHBondContact OG-OD2 2.76Å; S423-L427 WeakPolarHBondContact O-CG 3.42Å; S423-L427 PolarHBondContact O-N 2.92Å
424	Q	96.3	Very high	94.6	Very high	143 Å²	143	58.1 Å²	58.1	67%	0.668	30%	0.302	S	S	*	.	H	α-helix	trans	-57.7	-34.2	173.6	-170.4	62.4	18.2	0	0	112.4	L427 Q428	Q424-L427 PolarHBondContact O-N 3.18Å; Q424-Q428 WeakPolarHBondContact O-CB 3.46Å; Q424-Q428 PolarHBondContact O-N 3.16Å
425	N	96.3	Very high	95.8	Very high	95 Å²	95	62 Å²	62	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-40.7	175.2	-177.1	45.9	0	0	0	111.8	S423 L427 Q428 Q429	S423-N425 PolarHBondContact O-N 3.17Å; S423-N425 PolarHBondContact OG-N 3.03Å; N425-L427 VanDerWaalsContact C-N 3.34Å; N425-Q428 PolarHBondContact O-N 2.91Å; N425-Q429 PolarHBondContact ND2-NE2 2.89Å; N425-Q429 WeakPolarHBondContact O-CG 3.32Å; N425-Q429 PolarHBondContact O-N 3.37Å
426	D	95.6	Very high	96.4	Very high	21 Å²	21	62.3 Å²	62.3	11%	0.112	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-45.9	175.2	-60.7	-36.5	0	0	0	110.6	S402 N405 P422 S423 Q428 Q429 L430	S402-D426 VanDerWaalsContact CB-OD1 3.3Å; S402-D426 WeakPolarHBondContact CB-OD1 3.31Å; N405-D426 PolarHBondContact ND2-OD2 3.01Å; P422-D426 HydrophobicContact CB-CB 4.17Å; S423-D426 PolarHBondContact N-OD2 3.01Å; S423-D426 WeakPolarHBondContact O-CB 3.23Å; S423-D426 PolarHBondContact O-N 3.36Å; S423-D426 PolarHBondContact OG-N 2.94Å; S423-D426 VanDerWaalsContact OG-N 3.14Å; S423-D426 PolarHBondContact OG-OD2 2.76Å; D426-Q428 PolarHBondContact O-N 3.18Å; D426-Q429 PolarHBondContact O-N 3.32Å; D426-L430 WeakPolarHBondContact O-CG 3.31Å; D426-L430 PolarHBondContact O-N 3.41Å
427	L	96.7	Very high	96.6	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-42	178.1	-64.7	-177.5	0	0	0	111.8	F380 P422 S423 Q424 N425 L430 T431	F380-L427 HydrophobicContact CB-CD2 4.3Å; F380-L427 HydrophobicContact CD1-CB 4.45Å; F380-L427 HydrophobicContact CD1-CD2 3.71Å; F380-L427 HydrophobicContact CD2-CD1 4.19Å; F380-L427 HydrophobicContact CD2-CD2 3.7Å; F380-L427 HydrophobicContact CD2-CG 4.43Å; F380-L427 HydrophobicContact CE1-CB 3.79Å; F380-L427 HydrophobicContact CE1-CD2 3.91Å; F380-L427 HydrophobicContact CE1-CG 4.33Å; F380-L427 HydrophobicContact CE2-CB 4.18Å; F380-L427 HydrophobicContact CE2-CD1 3.75Å; F380-L427 HydrophobicContact CE2-CD2 3.9Å; F380-L427 HydrophobicContact CE2-CG 4.15Å; F380-L427 HydrophobicContact CG-CD2 3.62Å; F380-L427 HydrophobicContact CZ-CB 3.64Å; F380-L427 HydrophobicContact CZ-CD1 4.09Å; F380-L427 HydrophobicContact CZ-CD2 4.01Å; F380-L427 HydrophobicContact CZ-CG 4.11Å; P422-L427 HydrophobicContact CB-CD2 3.74Å; P422-L427 HydrophobicContact CB-CG 4.13Å; P422-L427 HydrophobicContact CG-CD2 3.73Å; P422-L427 HydrophobicContact CG-CG 4.3Å; S423-L427 WeakPolarHBondContact O-CG 3.42Å; S423-L427 PolarHBondContact O-N 2.92Å; Q424-L427 PolarHBondContact O-N 3.18Å; N425-L427 VanDerWaalsContact C-N 3.34Å; L427-L430 HydrophobicContact CD2-CD1 4.46Å; L427-L430 WeakPolarHBondContact O-CB 3.47Å; L427-L430 PolarHBondContact O-N 2.67Å; L427-T431 PolarHBondContact O-N 3.06Å; L427-T431 PolarHBondContact O-OG1 3.07Å; L427-T431 VanDerWaalsContact O-OG1 3.1Å
428	Q	97.3	Very high	96.8	Very high	88 Å²	88	59.7 Å²	59.7	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-41	175	-171.3	63.7	49.6	0	0	111.8	Q424 N425 D426 L430 T431 N432	Q424-Q428 WeakPolarHBondContact O-CB 3.46Å; Q424-Q428 PolarHBondContact O-N 3.16Å; N425-Q428 PolarHBondContact O-N 2.91Å; D426-Q428 PolarHBondContact O-N 3.18Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 2.91Å; Q428-T431 PolarHBondContact O-N 3.19Å; Q428-N432 PolarHBondContact NE2-OD1 3.12Å; Q428-N432 WeakPolarHBondContact O-CB 3.44Å; Q428-N432 PolarHBondContact O-N 2.99Å; Q428-N432 PolarHBondContact O-OD1 2.94Å
429	Q	96.6	Very high	96.9	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175.3	-74.6	-179.9	59.4	0	0	111.7	N425 D426 N432 R433	N425-Q429 PolarHBondContact ND2-NE2 2.89Å; N425-Q429 WeakPolarHBondContact O-CG 3.32Å; N425-Q429 PolarHBondContact O-N 3.37Å; D426-Q429 PolarHBondContact O-N 3.32Å; Q429-N432 PolarHBondContact O-N 3.1Å; Q429-R433 VanDerWaalsContact O-CB 3.24Å; Q429-R433 WeakPolarHBondContact O-CB 3.37Å; Q429-R433 WeakPolarHBondContact O-CD 3.5Å; Q429-R433 VanDerWaalsContact O-CG 3.23Å; Q429-R433 WeakPolarHBondContact O-CG 3.34Å; Q429-R433 PolarHBondContact O-N 2.97Å; Q429-R433 VanDerWaalsContact O-N 3.08Å
430	L	97.5	Very high	96.9	Very high	27 Å²	27	58 Å²	58	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-50.6	173.2	-69.2	178.2	0	0	0	110.8	C377 F380 L381 L399 D426 L427 Q428 N432 R433 F434	C377-L430 HydrophobicContact CB-CD1 4.28Å; C377-L430 HydrophobicContact CB-CD2 4.22Å; F380-L430 HydrophobicContact CD1-CD1 4.41Å; L381-L430 HydrophobicContact CD1-CB 4.13Å; L381-L430 HydrophobicContact CG-CB 4.38Å; L399-L430 HydrophobicContact CD2-CD2 4.15Å; D426-L430 WeakPolarHBondContact O-CG 3.31Å; D426-L430 PolarHBondContact O-N 3.41Å; L427-L430 HydrophobicContact CD2-CD1 4.46Å; L427-L430 WeakPolarHBondContact O-CB 3.47Å; L427-L430 PolarHBondContact O-N 2.67Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 2.91Å; L430-N432 VanDerWaalsContact C-N 3.28Å; L430-N432 PolarHBondContact O-N 3.03Å; L430-R433 PolarHBondContact O-N 3.05Å; L430-F434 HydrophobicContact CD2-CD2 4.11Å; L430-F434 HydrophobicContact CD2-CE2 4.42Å; L430-F434 PolarHBondContact O-N 2.76Å
431	T	97.6	Very high	96.8	Very high	59 Å²	59	58 Å²	58	36%	0.362	29%	0.285	S	S	.	.	H	α-helix	trans	-57.4	-39.1	178.3	-57.8	0	0	0	0	112.7	Q391 L427 Q428	Q391-T431 PolarHBondContact NE2-O 3.37Å; L427-T431 PolarHBondContact O-N 3.06Å; L427-T431 PolarHBondContact O-OG1 3.07Å; L427-T431 VanDerWaalsContact O-OG1 3.1Å; Q428-T431 PolarHBondContact O-N 3.19Å
432	N	97.6	Very high	96.8	Very high	99 Å²	99	49.8 Å²	49.8	53%	0.529	26%	0.256	S	S	.	.	H	α-helix	trans	-78.9	-25.1	-177.3	-68.6	-4.2	0	0	0	113.5	Q391 Q428 Q429 L430	Q391-N432 PolarHBondContact NE2-O 3.26Å; Q428-N432 PolarHBondContact NE2-OD1 3.12Å; Q428-N432 WeakPolarHBondContact O-CB 3.44Å; Q428-N432 PolarHBondContact O-N 2.99Å; Q428-N432 PolarHBondContact O-OD1 2.94Å; Q429-N432 PolarHBondContact O-N 3.1Å; L430-N432 VanDerWaalsContact C-N 3.28Å; L430-N432 PolarHBondContact O-N 3.03Å
433	R	98.2	Very high	96.7	Very high	88 Å²	88	52 Å²	52	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-110.7	-21	-168.9	-64.9	169.1	172.8	169.8	8.7	113.7	Q391 H397 Q429 L430	Q391-R433 PolarHBondContact N-O 3.01Å; H397-R433 HydrophobicContact CB-CB 4.17Å; H397-R433 HydrophobicContact CB-CG 4.4Å; H397-R433 WeakPolarHBondContact CD2-CD 3.17Å; H397-R433 PolarHBondContact CD2-NE 3.41Å; H397-R433 PolarHBondContact NE2-NE 3.18Å; Q429-R433 VanDerWaalsContact O-CB 3.24Å; Q429-R433 WeakPolarHBondContact O-CB 3.37Å; Q429-R433 WeakPolarHBondContact O-CD 3.5Å; Q429-R433 VanDerWaalsContact O-CG 3.23Å; Q429-R433 WeakPolarHBondContact O-CG 3.34Å; Q429-R433 PolarHBondContact O-N 2.97Å; Q429-R433 VanDerWaalsContact O-N 3.08Å; L430-R433 PolarHBondContact O-N 3.05Å
434	F	98.6	Very high	96.6	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.9	-176.1	-64.4	-88.7	0	0	0	111	A331 L381 C388 V389 R390 Q391 H397 L399 L430	A331-F434 HydrophobicContact CB-CE1 4.26Å; L381-F434 HydrophobicContact CD1-CB 3.89Å; C388-F434 HydrophobicContact CB-CB 4.16Å; C388-F434 HydrophobicContact CB-CD1 4.21Å; C388-F434 HydrophobicContact CB-CG 4.4Å; V389-F434 CarbonylContact O-C 3.47Å; V389-F434 WeakPolarHBondContact O-CA 3.23Å; R390-F434 HydrophobicContact CB-CD1 4.24Å; R390-F434 HydrophobicContact CB-CE1 3.95Å; R390-F434 HydrophobicContact CG-CE1 4.48Å; Q391-F434 PolarHBondContact NE2-O 3.13Å; H397-F434 HydrophobicContact CB-CE2 4.36Å; H397-F434 HydrophobicContact CB-CZ 4.23Å; L399-F434 HydrophobicContact CD1-CE1 4.38Å; L399-F434 HydrophobicContact CD2-CD1 3.96Å; L399-F434 HydrophobicContact CD2-CD2 4.11Å; L399-F434 HydrophobicContact CD2-CE1 3.75Å; L399-F434 HydrophobicContact CD2-CE2 3.89Å; L399-F434 HydrophobicContact CD2-CG 4.16Å; L399-F434 HydrophobicContact CD2-CZ 3.72Å; L399-F434 HydrophobicContact CG-CD1 4.31Å; L399-F434 HydrophobicContact CG-CE1 3.72Å; L399-F434 HydrophobicContact CG-CE2 4.5Å; L399-F434 HydrophobicContact CG-CZ 3.84Å; L430-F434 HydrophobicContact CD2-CD2 4.11Å; L430-F434 HydrophobicContact CD2-CE2 4.42Å; L430-F434 PolarHBondContact O-N 2.76Å
435	R	97.9	Very high	96.5	Very high	89 Å²	89	52.9 Å²	52.9	34%	0.336	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	166.6	171	64.3	178	-176.5	89.1	-4.9	109.4	Q35 C388 V389 Q391	Q35-R435 VanDerWaalsContact OE1-CZ 3.28Å; C388-R435 WeakPolarHBondContact CA-O 3.46Å; V389-R435 PolarHBondContact N-O 3.19Å; V389-R435 PolarHBondContact O-N 2.92Å; Q391-R435 HydrophobicContact CG-CB 4.01Å; Q391-R435 HydrophobicContact CG-CG 4.2Å
436	C	98.1	Very high	96.4	Very high	15 Å²	15	53.2 Å²	53.2	10%	0.101	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.4	175.8	-63.6	0	0	0	0	112.6	L381 C382 H445 C447	L381-C436 PolarHBondContact O-SG 3.19Å; L381-C436 VanDerWaalsContact O-SG 3.4Å; C382-C436 WeakPolarHBondContact CA-SG 3.41Å; C382-C436 HydrophobicContact CB-CB 3.92Å; C382-C436 WeakPolarHBondContact CB-SG 3.38Å; C382-C436 PolarHBondContact N-SG 3.5Å; C382-C436 WeakPolarHBondContact SG-CA 3.22Å; C382-C436 WeakPolarHBondContact SG-CB 3.08Å; C382-C436 CovalentContact SG-SG 2.04Å; C382-C436 PolarHBondContact SG-SG 2.8Å; C436-H445 WeakPolarHBondContact CB-O 3.16Å; C436-C447 VanDerWaalsContact CB-SG 3.5Å
437	H	97.6	Very high	96.5	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	101.4	159.1	-177.2	-168.4	0	0	0	106.5	Q35 K36 A38 D298 G386 R387 V389	Q35-H437 PolarHBondContact NE2-CD2 3.02Å; Q35-H437 PolarHBondContact NE2-CE1 3.16Å; Q35-H437 VanDerWaalsContact NE2-CE1 3.25Å; Q35-H437 PolarHBondContact NE2-ND1 2.95Å; Q35-H437 PolarHBondContact NE2-NE2 3.43Å; K36-H437 PolarHBondContact O-NE2 3.31Å; A38-H437 PolarHBondContact N-NE2 2.92Å; D298-H437 IonicContact OD2-CE1 3.81Å; D298-H437 PolarHBondContact OD2-CE1 2.96Å; D298-H437 IonicContact OD2-NE2 2.73Å; D298-H437 PolarHBondContact OD2-NE2 2.81Å; D298-H437 VanDerWaalsContact OD2-NE2 3.15Å; G386-H437 WeakPolarHBondContact CA-O 3.45Å; R387-H437 HydrophobicContact CG-CB 4.12Å; R387-H437 PolarHBondContact N-O 2.71Å; R387-H437 PolarHBondContact O-N 2.91Å; V389-H437 HydrophobicContact CG2-CB 3.56Å
438	C	97.9	Very high	96.4	Very high	15 Å²	15	56.2 Å²	56.2	10%	0.101	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	147.6	-170.5	-58.4	0	0	0	0	112.2	P37 A38 H442 G444 C447	P37-C438 CarbonylContact C-O 3.58Å; P37-C438 WeakPolarHBondContact CA-O 3.41Å; A38-C438 PolarHBondContact N-O 3Å; C438-H442 HydrophobicContact CB-CB 4.17Å; C438-H442 WeakPolarHBondContact CB-O 3.28Å; C438-G444 PolarHBondContact SG-O 3.07Å; C438-G444 VanDerWaalsContact SG-O 3.34Å; C438-C447 WeakPolarHBondContact CA-SG 3.43Å; C438-C447 HydrophobicContact CB-CB 3.79Å; C438-C447 WeakPolarHBondContact CB-SG 3.38Å; C438-C447 WeakPolarHBondContact SG-CA 3.41Å; C438-C447 WeakPolarHBondContact SG-CB 3.5Å; C438-C447 CovalentContact SG-SG 2.04Å; C438-C447 PolarHBondContact SG-SG 2.85Å
439	Y	97.8	Very high	96.1	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.027	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-72.6	157.3	172.3	-62.7	-51.2	0	0	0	111.2	A38 K39 L40 P41 P47 N385 G441 H442	A38-Y439 HydrophobicContact CB-CD1 3.84Å; A38-Y439 HydrophobicContact CB-CE1 4.18Å; A38-Y439 CarbonylContact O-C 3.52Å; A38-Y439 WeakPolarHBondContact O-CA 3.49Å; K39-Y439 WeakPolarHBondContact O-CD1 3.27Å; L40-Y439 HydrophobicContact CD2-CG 4.42Å; P41-Y439 HydrophobicContact CG-CE2 4.08Å; P47-Y439 VanDerWaalsContact CA-OH 3.29Å; P47-Y439 WeakPolarHBondContact CA-OH 3.42Å; P47-Y439 VanDerWaalsContact CB-OH 3.32Å; P47-Y439 WeakPolarHBondContact CB-OH 3.39Å; N385-Y439 VanDerWaalsContact O-CD2 3.29Å; N385-Y439 WeakPolarHBondContact O-CD2 3.4Å; N385-Y439 PolarHBondContact O-N 3.41Å; Y439-G441 PolarHBondContact O-N 2.82Å; Y439-H442 WeakPolarHBondContact O-CB 3.22Å; Y439-H442 PolarHBondContact O-N 2.9Å
440	E	94.9	Very high	95.8	Very high	57 Å²	57	57.5 Å²	57.5	27%	0.266	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	135.2	170.6	60.3	-169.4	152	0	0	110.7	P37 A38 L40 Y297	P37-E440 HydrophobicContact CB-CB 4.34Å; P37-E440 HydrophobicContact CG-CB 4.39Å; A38-E440 PolarHBondContact O-N 2.65Å; L40-E440 HydrophobicContact CB-CG 4.46Å; L40-E440 WeakPolarHBondContact CB-OE1 3.46Å; L40-E440 HydrophobicContact CD1-CG 4.16Å; L40-E440 HydrophobicContact CG-CG 3.67Å; L40-E440 WeakPolarHBondContact CG-OE1 3.37Å; L40-E440 PolarHBondContact N-OE1 3.04Å; Y297-E440 WeakPolarHBondContact CD1-OE2 3.23Å
441	G	93.8	Very high	94.8	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-7.6	-171.7	0	0	0	0	0	115.4	Y439 L450 N451	Y439-G441 PolarHBondContact O-N 2.82Å; G441-L450 WeakPolarHBondContact O-CA 3.12Å; G441-N451 PolarHBondContact O-N 2.71Å
442	H	95.1	Very high	92.9	Very high	38 Å²	38	65 Å²	65	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148	-179.7	-60.6	-85	0	0	0	112.9	N385 C438 Y439 C447 S449	N385-H442 HydrophobicContact CB-CB 4.19Å; N385-H442 PolarHBondContact ND2-CE1 3.31Å; N385-H442 PolarHBondContact OD1-CE1 2.9Å; C438-H442 HydrophobicContact CB-CB 4.17Å; C438-H442 WeakPolarHBondContact CB-O 3.28Å; Y439-H442 WeakPolarHBondContact O-CB 3.22Å; Y439-H442 PolarHBondContact O-N 2.9Å; H442-C447 HydrophobicContact CB-CB 4.23Å; H442-S449 WeakPolarHBondContact CA-O 3.29Å
443	E	93.9	Very high	90.9	Very high	85 Å²	85	64.3 Å²	64.3	40%	0.397	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-178.7	179.2	72.5	-175.9	176.5	0	0	112.1	C447 D448 S449 N451	E443-C447 CarbonylContact O-C 3.17Å; E443-C447 WeakPolarHBondContact O-CA 3.3Å; E443-D448 PolarHBondContact O-N 3.21Å; E443-S449 WeakPolarHBondContact CG-OG 3.41Å; E443-S449 PolarHBondContact N-O 2.92Å; E443-S449 PolarHBondContact O-N 2.92Å; E443-S449 PolarHBondContact O-OG 3.27Å; E443-S449 VanDerWaalsContact O-OG 3.1Å; E443-N451 HydrophobicContact CB-CB 4.3Å; E443-N451 HydrophobicContact CG-CB 4.37Å
444	G	92.8	Very high	88.5	Confident	43 Å²	43	67.9 Å²	67.9	44%	0.443	35%	0.346	S	S	.	.	S	Bend	trans	89	165.4	-176.3	0	0	0	0	0	113.1	C438 R446 C447	C438-G444 PolarHBondContact SG-O 3.07Å; C438-G444 VanDerWaalsContact SG-O 3.34Å; G444-R446 PolarHBondContact O-N 3.07Å; G444-R446 VanDerWaalsContact O-N 3.16Å; G444-C447 PolarHBondContact O-N 3.28Å
445	H	93.8	Very high	86.2	Confident	151 Å²	151	73.2 Å²	73.2	70%	0.699	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	-177.2	-177.5	-93.4	0	0	0	112.8	C436	C436-H445 WeakPolarHBondContact CB-O 3.16Å
446	R	96	Very high	84	Confident	103 Å²	103	75 Å²	75	39%	0.389	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	8.6	-179	-60.3	-172.6	71.5	-167.6	5.2	114	F380 L381 C382 G444 D448	F380-R446 PolarHBondContact O-NH2 3.1Å; F380-R446 VanDerWaalsContact O-NH2 3.09Å; L381-R446 WeakPolarHBondContact O-CA 3.39Å; L381-R446 WeakPolarHBondContact O-CB 3.34Å; C382-R446 CarbonylContact C-O 3.48Å; C382-R446 WeakPolarHBondContact CA-O 3.09Å; G444-R446 PolarHBondContact O-N 3.07Å; G444-R446 VanDerWaalsContact O-N 3.16Å; R446-D448 HydrophobicContact CB-CB 4.39Å; R446-D448 PolarHBondContact O-N 3.46Å
447	C	96.4	Very high	81.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.409	C	S	.	.	S	Bend	trans	57.2	32.8	-176.3	-44.3	0	0	0	0	113.5	C382 N385 C436 C438 H442 E443 G444	C382-C447 HydrophobicContact CB-CB 4.47Å; N385-C447 HydrophobicContact CB-CB 3.78Å; N385-C447 VanDerWaalsContact CB-O 3.28Å; N385-C447 WeakPolarHBondContact CB-O 3.26Å; N385-C447 PolarHBondContact ND2-O 3.32Å; N385-C447 VanDerWaalsContact ND2-O 3.14Å; C436-C447 VanDerWaalsContact CB-SG 3.5Å; C438-C447 WeakPolarHBondContact CA-SG 3.43Å; C438-C447 HydrophobicContact CB-CB 3.79Å; C438-C447 WeakPolarHBondContact CB-SG 3.38Å; C438-C447 WeakPolarHBondContact SG-CA 3.41Å; C438-C447 WeakPolarHBondContact SG-CB 3.5Å; C438-C447 CovalentContact SG-SG 2.04Å; C438-C447 PolarHBondContact SG-SG 2.85Å; H442-C447 HydrophobicContact CB-CB 4.23Å; E443-C447 CarbonylContact O-C 3.17Å; E443-C447 WeakPolarHBondContact O-CA 3.3Å; G444-C447 PolarHBondContact O-N 3.28Å
448	D	94.3	Very high	79.6	Confident	106 Å²	106	84.2 Å²	84.2	57%	0.567	43%	0.432	S	S	*	.			trans	-96.7	-9.8	-174.4	54.4	-20	0	0	0	113.3	Q383 E443 R446	Q383-D448 HydrophobicContact CG-CB 4.09Å; E443-D448 PolarHBondContact O-N 3.21Å; R446-D448 HydrophobicContact CB-CB 4.39Å; R446-D448 PolarHBondContact O-N 3.46Å
449	S	92.3	Very high	77.5	Confident	44 Å²	44	88.1 Å²	88.1	31%	0.308	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.5	171.6	53.6	0	0	0	0	112	H442 E443	H442-S449 WeakPolarHBondContact CA-O 3.29Å; E443-S449 WeakPolarHBondContact CG-OG 3.41Å; E443-S449 PolarHBondContact N-O 2.92Å; E443-S449 PolarHBondContact O-N 2.92Å; E443-S449 PolarHBondContact O-OG 3.27Å; E443-S449 VanDerWaalsContact O-OG 3.1Å
450	L	88.9	Confident	75.3	Confident	126 Å²	126	96.5 Å²	96.5	66%	0.66	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.7	173.4	-68.6	172.5	0	0	0	109.3	G441 K452	G441-L450 WeakPolarHBondContact O-CA 3.12Å; L450-K452 PolarHBondContact O-N 3Å; L450-K452 VanDerWaalsContact O-N 3.13Å
451	N	77.1	Confident	73.8	Confident	70 Å²	70	102.4 Å²	102.4	37%	0.374	50%	0.503	S	S	.	.			trans	-74.6	102.8	170.3	-167.3	-10.7	0	0	0	107.4	G441 E443 V453	G441-N451 PolarHBondContact O-N 2.71Å; E443-N451 HydrophobicContact CB-CB 4.3Å; E443-N451 HydrophobicContact CG-CB 4.37Å; N451-V453 PolarHBondContact O-N 2.84Å
452	K	58.9	Low	72.6	Confident	174 Å²	174	107.1 Å²	107.1	76%	0.757	52%	0.516	S	S	*	.			trans	-66.4	98.7	176	-75.7	-173.1	178.7	-175	0	108.4	L450 K454	L450-K452 PolarHBondContact O-N 3Å; L450-K452 VanDerWaalsContact O-N 3.13Å; K452-K454 PolarHBondContact O-N 2.91Å; K452-K454 VanDerWaalsContact O-N 3.11Å
453	V	54	Low	71.3	Confident	85 Å²	85	111.9 Å²	111.9	52%	0.515	54%	0.539	S	S	.	.			trans	-59.1	116.5	170	-174	0	0	0	0	107.5	N451 E455	N451-V453 PolarHBondContact O-N 2.84Å; V453-E455 HydrophobicContact CG1-CB 4.05Å; V453-E455 PolarHBondContact O-N 3.42Å; V453-E455 VanDerWaalsContact O-N 3.15Å
454	K	47.7	Very low	70.3	Confident	163 Å²	163	114.8 Å²	114.8	71%	0.709	55%	0.55	S	S	*	.	H	α-helix	trans	-61.8	-15.4	-179.1	-90.6	-179.1	167	-177.9	0	114.1	K452 E458	K452-K454 PolarHBondContact O-N 2.91Å; K452-K454 VanDerWaalsContact O-N 3.11Å; K454-E458 PolarHBondContact O-N 3.4Å
455	E	50.6	Low	69.6	Low	117 Å²	117	117.3 Å²	117.3	55%	0.547	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-39.2	-176.3	-95.7	176.2	158.6	0	0	113.7	V453 D457 L459	V453-E455 HydrophobicContact CG1-CB 4.05Å; V453-E455 PolarHBondContact O-N 3.42Å; V453-E455 VanDerWaalsContact O-N 3.15Å; E455-D457 PolarHBondContact O-N 3.46Å; E455-L459 VanDerWaalsContact O-CB 3.31Å; E455-L459 WeakPolarHBondContact O-CB 3.34Å; E455-L459 PolarHBondContact O-N 3.14Å
456	D	51.4	Low	68.8	Low	126 Å²	126	116.8 Å²	116.8	67%	0.674	55%	0.549	S	S	*	.	H	α-helix	trans	-72.1	-33	-177.1	-82.4	-10.6	0	0	0	112.4	R460	D456-R460 WeakPolarHBondContact O-CB 3.49Å; D456-R460 PolarHBondContact O-N 3.04Å; D456-R460 VanDerWaalsContact O-N 3.16Å
457	D	51.8	Low	67.8	Low	105 Å²	105	118.9 Å²	118.9	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-78.8	-33	177.9	-94.6	-17.7	0	0	0	112.1	E455 R461	E455-D457 PolarHBondContact O-N 3.46Å; D457-R461 WeakPolarHBondContact O-CB 3.43Å; D457-R461 PolarHBondContact O-N 3.01Å
458	E	53.3	Low	66.9	Low	121 Å²	121	123.9 Å²	123.9	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-74.6	-46.5	175.7	-84.7	-178.4	176.8	0	0	112.3	K454 R460 R461 E462	K454-E458 PolarHBondContact O-N 3.4Å; E458-R460 VanDerWaalsContact C-N 3.32Å; E458-R460 PolarHBondContact O-N 2.92Å; E458-R461 CarbonylContact O-C 3.59Å; E458-R461 WeakPolarHBondContact O-CB 3.37Å; E458-R461 PolarHBondContact O-N 3.34Å; E458-R461 VanDerWaalsContact O-N 3.17Å; E458-E462 WeakPolarHBondContact O-CB 3.23Å; E458-E462 WeakPolarHBondContact O-CG 3.27Å; E458-E462 PolarHBondContact O-N 3.11Å
459	L	52.3	Low	66.3	Low	98 Å²	98	127.7 Å²	127.7	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-61.8	-41.5	175.1	-82.4	159.7	0	0	0	111.5	E455 E462 E463	E455-L459 VanDerWaalsContact O-CB 3.31Å; E455-L459 WeakPolarHBondContact O-CB 3.34Å; E455-L459 PolarHBondContact O-N 3.14Å; L459-E462 PolarHBondContact O-N 3.02Å; L459-E463 PolarHBondContact O-N 2.93Å
460	R	52.3	Low	65.5	Low	183 Å²	183	132 Å²	132	69%	0.691	61%	0.606	S	S	*	*	H	α-helix	trans	-69.5	-32.9	176.3	-163.6	178	-168.4	-169.6	4.7	111.9	D456 E458 K464	D456-R460 WeakPolarHBondContact O-CB 3.49Å; D456-R460 PolarHBondContact O-N 3.04Å; D456-R460 VanDerWaalsContact O-N 3.16Å; E458-R460 VanDerWaalsContact C-N 3.32Å; E458-R460 PolarHBondContact O-N 2.92Å; R460-K464 WeakPolarHBondContact O-CB 3.48Å; R460-K464 PolarHBondContact O-N 3.47Å
461	R	63.1	Low	65	Low	180 Å²	180	133.1 Å²	133.1	68%	0.679	60%	0.602	S	S	*	*	H	α-helix	trans	-67.7	-41.6	169.8	-107.8	177.2	163.2	164	-3.5	112.1	D457 E458 K464 N465	D457-R461 WeakPolarHBondContact O-CB 3.43Å; D457-R461 PolarHBondContact O-N 3.01Å; E458-R461 CarbonylContact O-C 3.59Å; E458-R461 WeakPolarHBondContact O-CB 3.37Å; E458-R461 PolarHBondContact O-N 3.34Å; E458-R461 VanDerWaalsContact O-N 3.17Å; R461-K464 PolarHBondContact O-N 3.27Å; R461-N465 WeakPolarHBondContact O-CB 3.45Å; R461-N465 PolarHBondContact O-N 3.19Å; R461-N465 PolarHBondContact O-ND2 2.88Å
462	E	68.1	Low	64.9	Low	132 Å²	132	133 Å²	133	62%	0.617	60%	0.604	S	S	*	*	H	α-helix	trans	-66.5	-43.3	178.4	-79.2	-169.7	161	0	0	111.4	E458 L459 N465 K466	E458-E462 WeakPolarHBondContact O-CB 3.23Å; E458-E462 WeakPolarHBondContact O-CG 3.27Å; E458-E462 PolarHBondContact O-N 3.11Å; L459-E462 PolarHBondContact O-N 3.02Å; E462-N465 PolarHBondContact O-N 3.19Å; E462-K466 WeakPolarHBondContact O-CB 3.32Å; E462-K466 PolarHBondContact O-N 3.17Å
463	E	68.9	Low	65.8	Low	138 Å²	138	130.6 Å²	130.6	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-61.6	-44.8	172.6	-83.2	-171.2	149.2	0	0	111.5	L459 K466 Q467	L459-E463 PolarHBondContact O-N 2.93Å; E463-K466 PolarHBondContact O-N 3.03Å; E463-Q467 WeakPolarHBondContact O-CB 3.45Å; E463-Q467 PolarHBondContact O-N 3.24Å
464	K	72.4	Confident	66.7	Low	145 Å²	145	133.4 Å²	133.4	63%	0.63	60%	0.596	S	S	*	*	H	α-helix	trans	-64.4	-43.3	178.5	-152.8	178.2	-171.6	-171.6	0	111.6	R460 R461 K466 Q467 E468	R460-K464 WeakPolarHBondContact O-CB 3.48Å; R460-K464 PolarHBondContact O-N 3.47Å; R461-K464 PolarHBondContact O-N 3.27Å; K464-K466 PolarHBondContact O-N 2.9Å; K464-Q467 PolarHBondContact O-N 3.33Å; K464-E468 WeakPolarHBondContact O-CB 3.39Å; K464-E468 PolarHBondContact O-N 3.29Å
465	N	77.5	Confident	67.9	Low	97 Å²	97	130 Å²	130	52%	0.519	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-35.9	175.4	-73.8	-12.9	0	0	0	112.3	R461 E462 Q467 E468 R469	R461-N465 WeakPolarHBondContact O-CB 3.45Å; R461-N465 PolarHBondContact O-N 3.19Å; R461-N465 PolarHBondContact O-ND2 2.88Å; E462-N465 PolarHBondContact O-N 3.19Å; N465-Q467 VanDerWaalsContact C-N 3.34Å; N465-E468 PolarHBondContact O-N 3.38Å; N465-R469 WeakPolarHBondContact O-CB 3.26Å; N465-R469 PolarHBondContact O-N 3.49Å
466	K	77.7	Confident	68.9	Low	140 Å²	140	130.1 Å²	130.1	61%	0.609	59%	0.587	S	S	*	*	H	α-helix	trans	-69.1	-35.4	175.4	-170.3	175.3	-174.8	176.6	0	111.2	E462 E463 K464 K470	E462-K466 WeakPolarHBondContact O-CB 3.32Å; E462-K466 PolarHBondContact O-N 3.17Å; E463-K466 PolarHBondContact O-N 3.03Å; K464-K466 PolarHBondContact O-N 2.9Å; K466-K470 WeakPolarHBondContact O-CG 3.38Å; K466-K470 PolarHBondContact O-N 3.35Å; K466-K470 VanDerWaalsContact O-N 3.07Å
467	Q	75.4	Confident	69.6	Low	147 Å²	147	130.7 Å²	130.7	69%	0.687	59%	0.586	S	S	*	*	H	α-helix	trans	-74.1	-36.7	175.3	-162.3	149.3	-7.3	0	0	111.9	E463 K464 N465 K470 R471	E463-Q467 WeakPolarHBondContact O-CB 3.45Å; E463-Q467 PolarHBondContact O-N 3.24Å; K464-Q467 PolarHBondContact O-N 3.33Å; N465-Q467 VanDerWaalsContact C-N 3.34Å; Q467-K470 PolarHBondContact O-N 2.94Å; Q467-R471 WeakPolarHBondContact O-CB 3.41Å; Q467-R471 PolarHBondContact O-N 3.43Å
468	E	77.1	Confident	70	Confident	105 Å²	105	129.5 Å²	129.5	49%	0.491	58%	0.577	S	S	.	*	H	α-helix	trans	-63.8	-44.9	171.7	-151.3	89.3	-141.3	0	0	111.2	K464 N465 R471 T472	K464-E468 WeakPolarHBondContact O-CB 3.39Å; K464-E468 PolarHBondContact O-N 3.29Å; N465-E468 PolarHBondContact O-N 3.38Å; E468-R471 WeakPolarHBondContact O-CB 3.43Å; E468-R471 PolarHBondContact O-N 2.94Å; E468-R471 VanDerWaalsContact O-N 3.15Å; E468-T472 PolarHBondContact O-N 3.45Å; E468-T472 PolarHBondContact O-OG1 3.12Å
469	R	80.7	Confident	70.1	Confident	185 Å²	185	125.5 Å²	125.5	70%	0.698	57%	0.569	S	S	*	*	H	α-helix	trans	-59.8	-45.6	174.3	-88.6	-174	179.2	174.8	0.3	112.6	N465 R471 T472 E473	N465-R469 WeakPolarHBondContact O-CB 3.26Å; N465-R469 PolarHBondContact O-N 3.49Å; R469-R471 PolarHBondContact O-N 3.48Å; R469-T472 WeakPolarHBondContact CA-OG1 3.49Å; R469-T472 PolarHBondContact O-N 3.44Å; R469-T472 PolarHBondContact O-OG1 3.29Å; R469-E473 WeakPolarHBondContact O-CB 3.36Å; R469-E473 WeakPolarHBondContact O-CG 3.24Å; R469-E473 PolarHBondContact O-N 2.83Å
470	K	77.5	Confident	70.1	Confident	134 Å²	134	122.3 Å²	122.3	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-62.2	-32.9	175.7	-78.4	-177.4	174	-168.5	0	112.6	K466 Q467 W474	K466-K470 WeakPolarHBondContact O-CG 3.38Å; K466-K470 PolarHBondContact O-N 3.35Å; K466-K470 VanDerWaalsContact O-N 3.07Å; Q467-K470 PolarHBondContact O-N 2.94Å; K470-W474 WeakPolarHBondContact O-CB 3.31Å; K470-W474 PolarHBondContact O-N 3.47Å
471	R	76.6	Confident	69.9	Low	151 Å²	151	118.8 Å²	118.8	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-69.6	-44.4	175	-172	-172.6	-166.7	162.3	11.8	111.3	Q467 E468 R469 W474 E475	Q467-R471 WeakPolarHBondContact O-CB 3.41Å; Q467-R471 PolarHBondContact O-N 3.43Å; E468-R471 WeakPolarHBondContact O-CB 3.43Å; E468-R471 PolarHBondContact O-N 2.94Å; E468-R471 VanDerWaalsContact O-N 3.15Å; R469-R471 PolarHBondContact O-N 3.48Å; R471-W474 PolarHBondContact O-N 3.34Å; R471-E475 IonicContact NE-OE1 3.22Å; R471-E475 PolarHBondContact NE-OE1 3.29Å; R471-E475 WeakPolarHBondContact O-CB 3.33Å; R471-E475 WeakPolarHBondContact O-CG 3.36Å; R471-E475 PolarHBondContact O-N 3.24Å
472	T	75.5	Confident	69	Low	68 Å²	68	119.8 Å²	119.8	42%	0.417	56%	0.557	S	S	.	*	H	α-helix	trans	-66.5	-41.6	178.2	6.4	0	0	0	0	111.7	E468 R469 W474 E475 D476	E468-T472 PolarHBondContact O-N 3.45Å; E468-T472 PolarHBondContact O-OG1 3.12Å; R469-T472 WeakPolarHBondContact CA-OG1 3.49Å; R469-T472 PolarHBondContact O-N 3.44Å; R469-T472 PolarHBondContact O-OG1 3.29Å; T472-W474 VanDerWaalsContact C-N 3.31Å; T472-W474 PolarHBondContact O-N 3.46Å; T472-E475 PolarHBondContact O-N 3.02Å; T472-D476 WeakPolarHBondContact O-CB 3.39Å; T472-D476 PolarHBondContact O-N 2.91Å
473	E	78.6	Confident	67.9	Low	122 Å²	122	120.9 Å²	120.9	57%	0.57	56%	0.562	S	S	*	*	H	α-helix	trans	-59.6	-40.6	173.6	-76.3	172	174.8	0	0	111.9	R469 E477	R469-E473 WeakPolarHBondContact O-CB 3.36Å; R469-E473 WeakPolarHBondContact O-CG 3.24Å; R469-E473 PolarHBondContact O-N 2.83Å; E473-E477 WeakPolarHBondContact O-CB 3.39Å; E473-E477 WeakPolarHBondContact O-CG 3.45Å; E473-E477 PolarHBondContact O-N 3.13Å
474	W	72.8	Confident	66.6	Low	144 Å²	144	120.4 Å²	120.4	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-69.9	-36.7	176.3	-177.1	86.4	0	0	0	113	K470 R471 T472 Q478	K470-W474 WeakPolarHBondContact O-CB 3.31Å; K470-W474 PolarHBondContact O-N 3.47Å; R471-W474 PolarHBondContact O-N 3.34Å; T472-W474 VanDerWaalsContact C-N 3.31Å; T472-W474 PolarHBondContact O-N 3.46Å; W474-Q478 WeakPolarHBondContact O-CG 3.41Å; W474-Q478 PolarHBondContact O-N 3.09Å; W474-Q478 VanDerWaalsContact O-N 3.09Å
475	E	72.1	Confident	65.1	Low	91 Å²	91	123.3 Å²	123.3	43%	0.425	57%	0.571	S	S	.	*	H	α-helix	trans	-69.6	-37.8	175.8	-73.1	172	-178.4	0	0	111.5	R471 T472 Q478 G479	R471-E475 IonicContact NE-OE1 3.22Å; R471-E475 PolarHBondContact NE-OE1 3.29Å; R471-E475 WeakPolarHBondContact O-CB 3.33Å; R471-E475 WeakPolarHBondContact O-CG 3.36Å; R471-E475 PolarHBondContact O-N 3.24Å; T472-E475 PolarHBondContact O-N 3.02Å; E475-Q478 PolarHBondContact O-N 2.98Å; E475-G479 PolarHBondContact O-N 3.32Å
476	D	70.9	Confident	63.3	Low	121 Å²	121	127.2 Å²	127.2	65%	0.647	59%	0.587	S	S	*	*	H	α-helix	trans	-70	-39.8	174.3	-79.2	-15.4	0	0	0	112.2	T472 Q478 G479 G480	T472-D476 WeakPolarHBondContact O-CB 3.39Å; T472-D476 PolarHBondContact O-N 2.91Å; D476-Q478 VanDerWaalsContact C-N 3.27Å; D476-Q478 PolarHBondContact O-N 2.79Å; D476-G479 PolarHBondContact O-N 2.92Å; D476-G480 PolarHBondContact O-N 3.09Å
477	E	68	Low	61.6	Low	137 Å²	137	125.4 Å²	125.4	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-62.3	-35.5	172.8	-82.1	-175.4	169.8	0	0	111.7	E473 L481	E473-E477 WeakPolarHBondContact O-CB 3.39Å; E473-E477 WeakPolarHBondContact O-CG 3.45Å; E473-E477 PolarHBondContact O-N 3.13Å; E477-L481 WeakPolarHBondContact O-CB 3.48Å; E477-L481 WeakPolarHBondContact O-CD1 3.13Å; E477-L481 PolarHBondContact O-N 3.41Å
478	Q	59.5	Low	59.7	Low	80 Å²	80	123.4 Å²	123.4	37%	0.374	59%	0.594	S	S	.	*	H	α-helix	trans	-74.4	-42.9	172.7	-72.1	-166.5	5	0	0	112.3	W474 E475 D476 G480 L481 W482	W474-Q478 WeakPolarHBondContact O-CG 3.41Å; W474-Q478 PolarHBondContact O-N 3.09Å; W474-Q478 VanDerWaalsContact O-N 3.09Å; E475-Q478 PolarHBondContact O-N 2.98Å; D476-Q478 VanDerWaalsContact C-N 3.27Å; D476-Q478 PolarHBondContact O-N 2.79Å; Q478-G480 VanDerWaalsContact C-N 3.32Å; Q478-G480 PolarHBondContact O-N 2.89Å; Q478-L481 PolarHBondContact O-N 3.38Å; Q478-L481 VanDerWaalsContact O-N 3.09Å; Q478-W482 PolarHBondContact O-N 3.48Å; Q478-W482 VanDerWaalsContact O-N 3.13Å
479	G	54.6	Low	57.6	Low	38 Å²	38	122.9 Å²	122.9	39%	0.392	61%	0.607	S	S	.	*	H	α-helix	trans	-56.9	-44	175.6	0	0	0	0	0	112.8	E475 D476 L481 W482 E483	E475-G479 PolarHBondContact O-N 3.32Å; D476-G479 PolarHBondContact O-N 2.92Å; G479-L481 VanDerWaalsContact C-N 3.31Å; G479-L481 PolarHBondContact O-N 2.93Å; G479-W482 PolarHBondContact O-N 3.2Å; G479-E483 PolarHBondContact O-N 3.1Å; G479-E483 VanDerWaalsContact O-N 3.11Å
480	G	53.2	Low	55.1	Low	30 Å²	30	122.1 Å²	122.1	31%	0.309	62%	0.616	S	S	.	*	H	α-helix	trans	-70.5	-21.2	176.5	0	0	0	0	0	114.8	D476 Q478 N484	D476-G480 PolarHBondContact O-N 3.09Å; Q478-G480 VanDerWaalsContact C-N 3.32Å; Q478-G480 PolarHBondContact O-N 2.89Å; G480-N484 WeakPolarHBondContact O-CB 3.16Å; G480-N484 PolarHBondContact O-N 3.31Å; G480-N484 PolarHBondContact O-ND2 2.71Å; G480-N484 VanDerWaalsContact O-ND2 3.07Å
481	L	47.8	Very low	53.4	Low	110 Å²	110	120.4 Å²	120.4	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-81.4	-21.8	172.7	-109.8	131.5	0	0	0	112.9	E477 Q478 G479	E477-L481 WeakPolarHBondContact O-CB 3.48Å; E477-L481 WeakPolarHBondContact O-CD1 3.13Å; E477-L481 PolarHBondContact O-N 3.41Å; Q478-L481 PolarHBondContact O-N 3.38Å; Q478-L481 VanDerWaalsContact O-N 3.09Å; G479-L481 VanDerWaalsContact C-N 3.31Å; G479-L481 PolarHBondContact O-N 2.93Å
482	W	44.2	Very low	51.5	Low	201 Å²	201	121.7 Å²	121.7	76%	0.761	64%	0.636	S	S	*	*	H	α-helix	trans	-85	-38.3	174.1	-75	59.9	0	0	0	111.4	Q478 G479 N484 R485	Q478-W482 PolarHBondContact O-N 3.48Å; Q478-W482 VanDerWaalsContact O-N 3.13Å; G479-W482 PolarHBondContact O-N 3.2Å; W482-N484 VanDerWaalsContact C-N 3.34Å; W482-N484 PolarHBondContact O-N 3.29Å; W482-R485 PolarHBondContact O-N 3.32Å
483	E	44.7	Very low	49.5	Very low	154 Å²	154	122.1 Å²	122.1	72%	0.72	65%	0.654	S	S	*	*	H	α-helix	trans	-67.5	-30.5	173.7	-80	-175.8	154.4	0	0	113.2	G479 R485	G479-E483 PolarHBondContact O-N 3.1Å; G479-E483 VanDerWaalsContact O-N 3.11Å; E483-R485 VanDerWaalsContact C-N 3.34Å
484	N	41.3	Very low	47.5	Very low	129 Å²	129	121.8 Å²	121.8	69%	0.69	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-7	175.3	-82	-45.9	0	0	0	114.5	G480 W482	G480-N484 WeakPolarHBondContact O-CB 3.16Å; G480-N484 PolarHBondContact O-N 3.31Å; G480-N484 PolarHBondContact O-ND2 2.71Å; G480-N484 VanDerWaalsContact O-ND2 3.07Å; W482-N484 VanDerWaalsContact C-N 3.34Å; W482-N484 PolarHBondContact O-N 3.29Å
485	R	41.8	Very low	46	Very low	206 Å²	206	119.1 Å²	119.1	78%	0.777	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-13.1	178.7	-106.6	-179.9	177.2	-179.5	0.7	114.6	W482 E483	W482-R485 PolarHBondContact O-N 3.32Å; E483-R485 VanDerWaalsContact C-N 3.34Å
486	E	39.2	Very low	44.9	Very low	179 Å²	179	121.5 Å²	121.5	84%	0.836	68%	0.678	S	S	*	*	S	Bend	trans	-86.4	-6.4	174.3	-74.7	-171.2	154.8	0	0	113.6
487	S	41.1	Very low	43.8	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	68%	0.683	S	S	*	*	S	Bend	trans	-113.4	49.4	-179.5	-59.4	0	0	0	0	113.1
488	S	35.4	Very low	42.8	Very low	106 Å²	106	126 Å²	126	74%	0.741	69%	0.688	S	S	*	*			trans	-175.6	74	158.4	36.6	0	0	0	0	111.5
489	A	33.4	Very low	42.4	Very low	93 Å²	93	127.9 Å²	127.9	77%	0.769	70%	0.7	S	S	*	*			trans	-98.1	123.7	163.2	0	0	0	0	0	109.7
490	L	29.7	Very low	42.2	Very low	169 Å²	169	131.7 Å²	131.7	89%	0.885	71%	0.711	S	S	*	*			trans	-179.5	159.5	147.8	-97.2	168.6	0	0	0	109.3
491	P	41.8	Very low	42.1	Very low	98 Å²	98	136.1 Å²	136.1	64%	0.636	73%	0.726	S	S	*	*				-124.1	171.6	-111.2	41.3	-27.9	0	0	0	116
492	L	36.4	Very low	42.1	Very low	178 Å²	178	136.6 Å²	136.6	93%	0.932	73%	0.729	S	S	*	*			trans	64.6	123.4	154.5	-76.5	143.4	0	0	0	119.4
493	G	31.9	Very low	42.5	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	72%	0.722	S	S	*	*			trans	172	80.5	163.2	0	0	0	0	0	114.3
494	C	37.5	Very low	42.9	Very low	115 Å²	115	131.8 Å²	131.8	78%	0.777	72%	0.718	S	S	*	*			trans	-68.4	130.7	173	-155.9	0	0	0	0	110.5
495	S	41.8	Very low	43.3	Very low	89 Å²	89	130.8 Å²	130.8	62%	0.622	71%	0.712	S	S	*	*			trans	-147	98.7	161.2	-175.6	0	0	0	0	110.9	Y497	S495-Y497 PolarHBondContact O-N 2.73Å
496	H	47.6	Very low	43.8	Very low	141 Å²	141	126.1 Å²	126.1	65%	0.653	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	13.3	174.3	-87.5	-78.8	0	0	0	114.7
497	Y	49.5	Very low	44.3	Very low	190 Å²	190	123.9 Å²	123.9	75%	0.745	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-12.2	-173.1	-93	-89.1	0	0	0	115.7	S495	S495-Y497 PolarHBondContact O-N 2.73Å
498	Q	46.7	Very low	44.9	Very low	161 Å²	161	125.3 Å²	125.3	75%	0.752	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-21.4	178.7	-78.7	-174	-24.4	0	0	114.4
499	I	50.9	Low	45.6	Very low	120 Å²	120	126.8 Å²	126.8	62%	0.615	69%	0.693	S	S	*	*	H	α-helix	trans	-82.2	-27.4	-179.1	-62.9	175.4	0	0	0	111.4	L503	I499-L503 HydrophobicContact CG2-CD1 4.5Å
500	L	49.9	Very low	46.5	Very low	119 Å²	119	129.3 Å²	129.3	62%	0.623	69%	0.692	S	S	*	*	H	α-helix	trans	-75.4	-24.2	175.3	-96.2	127.4	0	0	0	113.8
501	L	50.7	Low	47.4	Very low	122 Å²	122	129.3 Å²	129.3	64%	0.639	69%	0.688	S	S	*	*	H	α-helix	trans	-76	-31.8	179.2	-130.6	90.2	0	0	0	112.7
502	L	49.6	Very low	47.8	Very low	121 Å²	121	132.6 Å²	132.6	63%	0.634	70%	0.696	S	S	*	*	H	α-helix	trans	-78.2	-21.1	179.8	-82	156.4	0	0	0	113.6	N506	L502-N506 PolarHBondContact O-ND2 2.86Å
503	L	51.3	Low	48.6	Very low	116 Å²	116	130.9 Å²	130.9	61%	0.607	69%	0.693	S	S	*	*	H	α-helix	trans	-84.5	-24.5	177.3	-78.3	161.6	0	0	0	113	I499	I499-L503 HydrophobicContact CG2-CD1 4.5Å
504	H	53.3	Low	49.2	Very low	138 Å²	138	137.5 Å²	137.5	64%	0.639	72%	0.718	S	S	*	*	H	α-helix	trans	-82	-28.1	173.9	-97.9	-37.3	0	0	0	114.2
505	L	50.3	Low	49.8	Very low	107 Å²	107	138.6 Å²	138.6	56%	0.56	72%	0.715	S	S	*	*	H	α-helix	trans	-74.6	-23.9	178.2	-96.6	135.3	0	0	0	113.8
506	N	51.2	Low	50.3	Low	108 Å²	108	141.2 Å²	141.2	58%	0.578	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-19	175.7	-84.6	-56.2	0	0	0	114.2	L502	L502-N506 PolarHBondContact O-ND2 2.86Å
507	L	51.4	Low	50.4	Low	132 Å²	132	141.2 Å²	141.2	69%	0.691	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-20.7	176.3	-109	104.9	0	0	0	113.6
508	L	52.6	Low	50.4	Low	131 Å²	131	138.4 Å²	138.4	69%	0.686	72%	0.722	S	S	*	*	S	Bend	trans	-87.5	-14.8	179.7	-86.4	154.5	0	0	0	114
509	L	50.5	Low	50.7	Low	137 Å²	137	136.9 Å²	136.9	72%	0.717	72%	0.72	S	S	*	*	S	Bend	trans	-90.7	-6.9	179.4	-90.5	152.8	0	0	0	114.2
510	I	52.2	Low	50.7	Low	147 Å²	147	138.1 Å²	138.1	75%	0.754	73%	0.727	S	S	*	*	S	Bend	trans	-94.6	-5.6	179.6	-63.4	173.4	0	0	0	112.2
511	Q	49	Very low	50.7	Low	168 Å²	168	139.4 Å²	139.4	79%	0.785	73%	0.734	S	S	*	*	S	Bend	trans	-103.4	10.6	-179.3	-91.3	-172.8	-20.3	0	0	116
512	M	50.6	Low	50.7	Low	167 Å²	167	140.8 Å²	140.8	82%	0.823	74%	0.742	S	S	*	*	S	Bend	trans	-135.8	54.2	178.9	-68.8	-156.3	71.4	0	0	113.9
513	V	52.1	Low	50.8	Low	143 Å²	143	142.4 Å²	142.4	87%	0.867	75%	0.751	S	S	*	*			trans	-149.9	83.8	148.2	-171.8	0	0	0	0	108.5
514	V	45.5	Very low	50.8	Low	215 Å²	215	144.8 Å²	144.8	100%	1.303	76%	0.764	S	S	*	*			trans	-117.9	0	141.9	170.5	0	0	0	0	105.6

Retrieved 514 of 514 residues in 119.4 ms (Link to these results)

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