A0A3Q0KBU7_SCHMA Loading...

Methionine--tRNA ligase, mitochondrial

AlphaFold DB (A0A5K4E9F3), UniProt , Accession A0A3Q0KBU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 585 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	37	Very low	30.6	Very low	222 Å²	222	169.6 Å²	169.6	100%	1.094	85%	0.851	S	S	*	*				0	108.4	0	-77.2	178.3	-173.5	0	0	106.3	F3	M1-F3 PolarHBondContact O-N 2.95Å
2	E	32.6	Very low	30.7	Very low	192 Å²	192	164.1 Å²	164.1	90%	0.897	85%	0.851	S	S	*	*			trans	-64.3	114.4	-176.5	-69.9	173.8	153.9	0	0	109.8
3	F	33.8	Very low	30.5	Very low	196 Å²	196	159.9 Å²	159.9	86%	0.86	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-98.8	121.1	171.4	-89.3	-85	0	0	0	109	M1	M1-F3 PolarHBondContact O-N 2.95Å
4	F	32.7	Very low	30.5	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.864	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-56.8	128	-173	-84.5	-102.2	0	0	0	113.8
5	S	25.7	Very low	30.4	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-81.4	125.8	159.2	53.3	0	0	0	0	110.5
6	Q	31.2	Very low	30.7	Very low	186 Å²	186	155.3 Å²	155.3	87%	0.869	84%	0.843	S	S	*	*			trans	-153.9	156.3	161.7	-90.8	-146.5	-13	0	0	112.1
7	P	34.2	Very low	30.8	Very low	102 Å²	102	151.4 Å²	151.4	66%	0.662	83%	0.83	S	S	*	*				-113.9	163	-129.2	37	-27.1	0	0	0	116.2	L9	P7-L9 PolarHBondContact O-N 3.02Å
8	V	26	Very low	30.7	Very low	140 Å²	140	155.7 Å²	155.7	85%	0.848	83%	0.832	S	S	*	*			trans	-64	117	171.1	177.6	0	0	0	0	110.5
9	L	28.8	Very low	30.9	Very low	150 Å²	150	153.9 Å²	153.9	79%	0.785	83%	0.832	S	S	*	*			trans	-117.8	113.3	168.9	-96.1	159.5	0	0	0	110.1	P7	P7-L9 PolarHBondContact O-N 3.02Å
10	R	23.5	Very low	30.8	Very low	239 Å²	239	156.1 Å²	156.1	90%	0.902	83%	0.833	S	S	*	*			trans	-70	129.7	162.6	-73.3	176.2	170.1	-177.8	-3.5	108.8
11	T	31.2	Very low	31	Very low	135 Å²	135	152.6 Å²	152.6	83%	0.828	83%	0.826	S	S	*	*			trans	-133.4	127.8	159.6	48.8	0	0	0	0	110.1
12	A	31.4	Very low	30.8	Very low	103 Å²	103	147.3 Å²	147.3	85%	0.851	81%	0.811	S	S	*	*			trans	-66.7	145.6	-174.4	0	0	0	0	0	113
13	A	29	Very low	30.9	Very low	110 Å²	110	144.7 Å²	144.7	91%	0.909	81%	0.808	S	S	*	*			trans	-66.4	131.6	175	0	0	0	0	0	111.7
14	G	29.8	Very low	31	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	81%	0.809	S	S	*	*			trans	-160.7	44.1	173.6	0	0	0	0	0	111.5	H16	G14-H16 PolarHBondContact O-N 3.34Å
15	N	29.7	Very low	31.9	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	80%	0.802	S	S	*	*			trans	-85.5	87.8	173.3	-83.5	-11.8	0	0	0	109.9	S17	N15-S17 VanDerWaalsContact C-N 3.29Å; N15-S17 PolarHBondContact O-N 3.32Å
16	H	34.1	Very low	34.3	Very low	188 Å²	188	145.4 Å²	145.4	87%	0.87	81%	0.807	S	S	*	*			trans	-90.5	76.3	151.9	-81.1	-60.6	0	0	0	108.4	G14 R18	G14-H16 PolarHBondContact O-N 3.34Å; H16-R18 PolarHBondContact O-N 3.16Å; H16-R18 VanDerWaalsContact O-N 3.08Å
17	S	32.5	Very low	37	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	78%	0.777	S	S	*	*			trans	-63.1	106.7	167.2	-65.6	0	0	0	0	108.5	N15 C19	N15-S17 VanDerWaalsContact C-N 3.29Å; N15-S17 PolarHBondContact O-N 3.32Å; S17-C19 PolarHBondContact O-N 3.12Å
18	R	30.2	Very low	39.6	Very low	229 Å²	229	134.6 Å²	134.6	86%	0.864	75%	0.747	S	S	*	*			trans	-58	105.2	159.5	-75.5	176.8	176.1	171.1	-1.8	106.9	H16 F20	H16-R18 PolarHBondContact O-N 3.16Å; H16-R18 VanDerWaalsContact O-N 3.08Å; R18-F20 PolarHBondContact O-N 2.87Å
19	C	33.5	Very low	42.8	Very low	122 Å²	122	130.6 Å²	130.6	82%	0.824	72%	0.718	S	S	*	*			trans	-60.3	101.4	169.1	-66.9	0	0	0	0	107.8	S17 A21	S17-C19 PolarHBondContact O-N 3.12Å; C19-A21 VanDerWaalsContact C-N 3.34Å; C19-A21 PolarHBondContact O-N 2.78Å
20	F	29.7	Very low	46	Very low	196 Å²	196	123.4 Å²	123.4	86%	0.86	68%	0.681	S	S	*	*			trans	-60.5	101.8	161.7	-83.2	-92.8	0	0	0	106.8	R18 S22	R18-F20 PolarHBondContact O-N 2.87Å; F20-S22 PolarHBondContact O-N 3.27Å; F20-S22 VanDerWaalsContact O-N 3.08Å
21	A	33.5	Very low	49.5	Very low	83 Å²	83	112 Å²	112	69%	0.686	64%	0.638	S	S	*	*			trans	-58.6	112	163.9	0	0	0	0	0	107	C19 T23	C19-A21 VanDerWaalsContact C-N 3.34Å; C19-A21 PolarHBondContact O-N 2.78Å; A21-T23 PolarHBondContact O-N 2.63Å
22	S	32.8	Very low	52.7	Low	112 Å²	112	105.6 Å²	105.6	78%	0.783	60%	0.598	S	S	*	*			trans	-65.2	107.1	172.5	54.7	0	0	0	0	108.1	F20 R24	F20-S22 PolarHBondContact O-N 3.27Å; F20-S22 VanDerWaalsContact O-N 3.08Å; S22-R24 PolarHBondContact O-N 3.33Å
23	T	35	Very low	55.8	Low	136 Å²	136	100.8 Å²	100.8	83%	0.834	56%	0.558	S	S	*	*			trans	-79.5	37.4	-179.5	54	0	0	0	0	112.7	A21 S25	A21-T23 PolarHBondContact O-N 2.63Å; T23-S25 VanDerWaalsContact C-N 3.27Å; T23-S25 PolarHBondContact O-N 2.97Å; T23-S25 VanDerWaalsContact O-N 3.14Å
24	R	36.4	Very low	58.9	Low	231 Å²	231	95.9 Å²	95.9	87%	0.872	52%	0.517	S	S	*	.			trans	-79.4	90.3	158	-97.2	-176.9	175.3	175.7	-1.1	105.6	S22 E26	S22-R24 PolarHBondContact O-N 3.33Å; R24-E26 PolarHBondContact O-N 3.32Å
25	S	52.1	Low	61.9	Low	103 Å²	103	93.3 Å²	93.3	72%	0.72	49%	0.487	S	S	*	.			trans	-58.8	111.8	172.9	63.4	0	0	0	0	107.5	T23 K27	T23-S25 VanDerWaalsContact C-N 3.27Å; T23-S25 PolarHBondContact O-N 2.97Å; T23-S25 VanDerWaalsContact O-N 3.14Å; S25-K27 PolarHBondContact O-N 2.82Å
26	E	76.6	Confident	65	Low	181 Å²	181	86.6 Å²	86.6	85%	0.846	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-52.4	137.4	167.1	-69.1	176.6	165.1	0	0	108.2	R24	R24-E26 PolarHBondContact O-N 3.32Å
27	K	87.5	Confident	67.9	Low	58 Å²	58	79.4 Å²	79.4	25%	0.252	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-48.1	128	175.6	159.6	174	-169.2	-51.4	0	108.7	S25 F29 S309 L310 P312 D314	S25-K27 PolarHBondContact O-N 2.82Å; K27-F29 PolarHBondContact O-N 3.08Å; K27-S309 VanDerWaalsContact CG-O 3.28Å; K27-S309 WeakPolarHBondContact CG-O 2.73Å; K27-L310 WeakPolarHBondContact CE-O 3.4Å; K27-L310 PolarHBondContact NZ-O 3.47Å; K27-P312 WeakPolarHBondContact CE-O 3.35Å; K27-P312 PolarHBondContact NZ-O 2.84Å; K27-D314 IonicContact NZ-OD1 3.42Å; K27-D314 IonicContact NZ-OD2 2.75Å; K27-D314 PolarHBondContact NZ-OD2 2.87Å
28	P	88.5	Confident	70.8	Confident	4 Å²	4	75.1 Å²	75.1	3%	0.026	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-61	141.1	172.2	-14.4	26.3	0	0	0	110	F30 K91 F306 S309 L310	P28-F30 PolarHBondContact O-N 3.26Å; P28-K91 CarbonylContact C-O 3.54Å; P28-K91 WeakPolarHBondContact CA-O 3.42Å; P28-F306 HydrophobicContact CB-CE2 3.89Å; P28-F306 HydrophobicContact CB-CZ 4.17Å; P28-F306 HydrophobicContact CG-CD2 3.77Å; P28-F306 HydrophobicContact CG-CE2 3.26Å; P28-F306 HydrophobicContact CG-CZ 3.95Å; P28-S309 VanDerWaalsContact CD-OG 3.32Å; P28-S309 WeakPolarHBondContact CD-OG 3.48Å; P28-L310 HydrophobicContact CB-CD2 3.69Å; P28-L310 HydrophobicContact CG-CD2 3.9Å
29	F	92.3	Very high	73.8	Confident	55 Å²	55	65.8 Å²	65.8	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.8	178.5	-160.4	-88.9	0	0	0	109.1	K27 I31 K91 M92 F93 D314 V315 W481	K27-F29 PolarHBondContact O-N 3.08Å; F29-I31 HydrophobicContact CD1-CD1 3.94Å; F29-I31 HydrophobicContact CD1-CG1 3.68Å; F29-I31 HydrophobicContact CE1-CD1 3.77Å; F29-I31 HydrophobicContact CE1-CG1 3.6Å; F29-K91 PolarHBondContact N-O 2.89Å; F29-M92 HydrophobicContact CB-CE 3.74Å; F29-M92 HydrophobicContact CB-SD 4.37Å; F29-M92 HydrophobicContact CD1-CE 3.57Å; F29-M92 HydrophobicContact CD1-SD 4.22Å; F29-M92 HydrophobicContact CG-CE 4.01Å; F29-M92 CarbonylContact O-C 3.57Å; F29-M92 WeakPolarHBondContact O-CA 3.27Å; F29-F93 PolarHBondContact O-N 2.74Å; F29-D314 WeakPolarHBondContact CA-OD2 3.42Å; F29-D314 HydrophobicContact CD1-CB 4.1Å; F29-D314 HydrophobicContact CD2-CB 3.89Å; F29-D314 HydrophobicContact CE1-CB 3.78Å; F29-D314 HydrophobicContact CE2-CB 3.53Å; F29-D314 HydrophobicContact CG-CB 4.16Å; F29-D314 HydrophobicContact CZ-CB 3.47Å; F29-D314 VanDerWaalsContact CZ-CB 3.47Å; F29-V315 HydrophobicContact CE1-CG2 3.85Å; F29-V315 HydrophobicContact CZ-CG2 3.8Å; F29-W481 AromaticContact CE1-CH2 3.73Å; F29-W481 HydrophobicContact CE1-CH2 3.73Å; F29-W481 HydrophobicContact CE1-CZ2 4.16Å; F29-W481 HydrophobicContact CE2-CH2 4.11Å; F29-W481 AromaticContact CE2-CZ2 3.83Å; F29-W481 HydrophobicContact CE2-CZ2 3.83Å; F29-W481 AromaticContact CZ-CH2 3.45Å; F29-W481 HydrophobicContact CZ-CH2 3.45Å; F29-W481 VanDerWaalsContact CZ-CH2 3.45Å; F29-W481 AromaticContact CZ-CZ2 3.39Å; F29-W481 HydrophobicContact CZ-CZ2 3.39Å
30	F	96.3	Very high	76.6	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.5	-173.6	177.3	-151	0	0	0	111.1	P28 T32 F93 V293 T294 L310 W311 P313 D314 V315	P28-F30 PolarHBondContact O-N 3.26Å; F30-T32 HydrophobicContact CD2-CG2 4.41Å; F30-T32 HydrophobicContact CE1-CG2 4.14Å; F30-T32 HydrophobicContact CE2-CG2 3.66Å; F30-T32 HydrophobicContact CZ-CG2 3.49Å; F30-T32 VanDerWaalsContact CZ-CG2 3.49Å; F30-F93 WeakPolarHBondContact CA-O 3.4Å; F30-F93 HydrophobicContact CD2-CB 4.25Å; F30-F93 AromaticContact CD2-CD1 3.65Å; F30-F93 HydrophobicContact CD2-CD1 3.65Å; F30-F93 HydrophobicContact CD2-CG 4.4Å; F30-F93 WeakPolarHBondContact CD2-O 3.42Å; F30-F93 AromaticContact CE2-CD1 3.67Å; F30-F93 HydrophobicContact CE2-CD1 3.67Å; F30-F93 HydrophobicContact CE2-CE1 4.13Å; F30-V293 HydrophobicContact CE2-CG2 4.15Å; F30-V293 HydrophobicContact CZ-CG2 3.63Å; F30-T294 HydrophobicContact CD1-CG2 4.27Å; F30-T294 HydrophobicContact CE1-CG2 3.69Å; F30-T294 HydrophobicContact CZ-CG2 4.19Å; F30-L310 HydrophobicContact CB-CB 4.45Å; F30-L310 HydrophobicContact CD1-CB 4.26Å; F30-L310 WeakPolarHBondContact CD1-O 3.36Å; F30-L310 HydrophobicContact CG-CB 4.37Å; F30-W311 HydrophobicContact CE1-CE3 4.26Å; F30-W311 HydrophobicContact CE1-CZ3 4.36Å; F30-P313 HydrophobicContact CD1-CB 3.69Å; F30-P313 HydrophobicContact CE1-CB 3.86Å; F30-P313 HydrophobicContact CE1-CG 4.41Å; F30-P313 HydrophobicContact CG-CB 4.27Å; F30-D314 PolarHBondContact N-OD2 2.98Å; F30-D314 PolarHBondContact O-N 3.1Å; F30-V315 PolarHBondContact O-N 3.32Å
31	I	97.7	Very high	79.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.7	178.3	-58.7	-177.9	0	0	0	109.7	F29 A53 W56 A57 M92 F93 L94 S95 V315 F317	F29-I31 HydrophobicContact CD1-CD1 3.94Å; F29-I31 HydrophobicContact CD1-CG1 3.68Å; F29-I31 HydrophobicContact CE1-CD1 3.77Å; F29-I31 HydrophobicContact CE1-CG1 3.6Å; I31-A53 HydrophobicContact CG2-CB 4.22Å; I31-W56 HydrophobicContact CD1-CB 3.98Å; I31-A57 HydrophobicContact CD1-CB 4.05Å; I31-M92 HydrophobicContact CD1-CE 4.14Å; I31-M92 HydrophobicContact CD1-SD 4.11Å; I31-M92 HydrophobicContact CG1-SD 4.17Å; I31-F93 PolarHBondContact N-O 3.34Å; I31-L94 HydrophobicContact CB-CD1 4.02Å; I31-L94 HydrophobicContact CG2-CD1 3.77Å; I31-L94 WeakPolarHBondContact O-CA 3.33Å; I31-L94 WeakPolarHBondContact O-CD1 3.45Å; I31-S95 PolarHBondContact O-N 3Å; I31-V315 CarbonylContact C-O 3.57Å; I31-V315 VanDerWaalsContact CA-O 3.31Å; I31-V315 WeakPolarHBondContact CA-O 3.44Å; I31-V315 HydrophobicContact CG1-CB 4.34Å; I31-F317 HydrophobicContact CG2-CD2 3.79Å; I31-F317 HydrophobicContact CG2-CE2 3.57Å
32	T	98.1	Very high	82.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.2	173.7	74.5	0	0	0	0	111.9	F30 S95 Y290 P313 V315 Q316 F317	F30-T32 HydrophobicContact CD2-CG2 4.41Å; F30-T32 HydrophobicContact CE1-CG2 4.14Å; F30-T32 HydrophobicContact CE2-CG2 3.66Å; F30-T32 HydrophobicContact CZ-CG2 3.49Å; F30-T32 VanDerWaalsContact CZ-CG2 3.49Å; T32-S95 WeakPolarHBondContact CG2-OG 3.45Å; T32-Y290 HydrophobicContact CG2-CD1 3.66Å; T32-Y290 HydrophobicContact CG2-CE1 4.25Å; T32-Y290 HydrophobicContact CG2-CG 4.27Å; T32-P313 HydrophobicContact CG2-CB 4.03Å; T32-V315 PolarHBondContact N-O 3.39Å; T32-Q316 HydrophobicContact CG2-CG 4.39Å; T32-Q316 WeakPolarHBondContact OG1-CA 3.31Å; T32-Q316 WeakPolarHBondContact OG1-CB 3.49Å; T32-Q316 WeakPolarHBondContact OG1-CG 3.23Å; T32-Q316 PolarHBondContact OG1-NE2 3.18Å; T32-F317 PolarHBondContact O-N 2.91Å
33	C	96.9	Very high	85.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.8	159.3	154.6	-72.6	0	0	0	0	109.9	S95 C96 Y290	C33-S95 PolarHBondContact N-O 3.32Å; C33-C96 HydrophobicContact CB-CB 3.62Å; C33-C96 WeakPolarHBondContact CB-SG 3.34Å; C33-C96 WeakPolarHBondContact SG-CB 3.38Å; C33-C96 CovalentContact SG-SG 2.07Å; C33-C96 PolarHBondContact SG-SG 3.35Å; C33-Y290 WeakPolarHBondContact O-CE1 3.32Å
34	P	93.7	Very high	88.3	Confident	7 Å²	7	43.7 Å²	43.7	5%	0.045	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.1	148.2	160	-6.8	18.1	0	0	0	109.6	F36 T49 F317 I322	P34-F36 HydrophobicContact CB-CE1 4.26Å; P34-F36 HydrophobicContact CG-CE1 4.16Å; P34-F36 PolarHBondContact O-N 3.46Å; P34-T49 HydrophobicContact CG-CG2 3.47Å; P34-T49 VanDerWaalsContact CG-CG2 3.47Å; P34-F317 WeakPolarHBondContact CD-O 3.25Å; P34-F317 WeakPolarHBondContact CG-O 3.5Å; P34-I322 HydrophobicContact CB-CD1 4.23Å
35	I	92.7	Very high	91.1	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.067	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-75.6	120.6	170.2	-165	174.1	0	0	0	110	D99 T144 A286 N289	I35-D99 HydrophobicContact CD1-CB 3.84Å; I35-D99 HydrophobicContact CG1-CB 3.92Å; I35-D99 HydrophobicContact CG2-CB 4.32Å; I35-T144 HydrophobicContact CD1-CG2 3.48Å; I35-T144 VanDerWaalsContact CD1-CG2 3.48Å; I35-A286 HydrophobicContact CD1-CB 4.28Å; I35-A286 HydrophobicContact CG2-CB 4.07Å; I35-N289 HydrophobicContact CD1-CB 3.63Å
36	F	95.2	Very high	93.2	Very high	9 Å²	9	29.9 Å²	29.9	4%	0.039	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.3	-172.3	-60.9	-50.6	0	0	0	112.7	P34 H46 T50 G97 T98 D99 F127	P34-F36 HydrophobicContact CB-CE1 4.26Å; P34-F36 HydrophobicContact CG-CE1 4.16Å; P34-F36 PolarHBondContact O-N 3.46Å; F36-H46 HydrophobicContact CD1-CB 4.47Å; F36-H46 AromaticContact CD1-CD2 3.28Å; F36-H46 WeakPolarHBondContact CD1-CD2 3.16Å; F36-H46 HydrophobicContact CE1-CB 4.23Å; F36-H46 AromaticContact CE1-CD2 3.66Å; F36-H46 AromaticContact CG-CD2 3.93Å; F36-H46 HydrophobicContact CZ-CB 4.4Å; F36-T50 HydrophobicContact CE2-CG2 3.31Å; F36-T50 HydrophobicContact CZ-CG2 3.43Å; F36-T50 VanDerWaalsContact CZ-CG2 3.43Å; F36-G97 PolarHBondContact N-O 3.1Å; F36-T98 HydrophobicContact CB-CG2 4.46Å; F36-T98 CarbonylContact O-C 3.51Å; F36-T98 WeakPolarHBondContact O-CA 3.44Å; F36-D99 PolarHBondContact O-N 3.28Å; F36-F127 HydrophobicContact CB-CD1 3.7Å; F36-F127 HydrophobicContact CB-CE1 3.51Å; F36-F127 HydrophobicContact CB-CZ 4.18Å; F36-F127 AromaticContact CD2-CD1 3.73Å; F36-F127 HydrophobicContact CD2-CD1 3.73Å; F36-F127 HydrophobicContact CD2-CE1 4.26Å; F36-F127 AromaticContact CG-CD1 3.91Å; F36-F127 HydrophobicContact CG-CD1 3.91Å; F36-F127 AromaticContact CG-CE1 3.96Å; F36-F127 HydrophobicContact CG-CE1 3.96Å
37	Y	93.9	Very high	94.1	Very high	37 Å²	37	21.3 Å²	21.3	15%	0.145	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.2	-177.3	-163.5	-123.1	0	0	0	111.9	N39 D99 H101 K104 V105 E180 V282	Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 HydrophobicContact CD1-CB 3.9Å; Y37-N39 WeakPolarHBondContact CD1-OD1 3.4Å; Y37-N39 HydrophobicContact CE1-CB 3.65Å; Y37-N39 PolarHBondContact O-N 3.18Å; Y37-N39 VanDerWaalsContact O-N 3.16Å; Y37-N39 PolarHBondContact O-OD1 3.26Å; Y37-D99 HydrophobicContact CD2-CB 4Å; Y37-D99 WeakPolarHBondContact CD2-OD2 3.47Å; Y37-D99 WeakPolarHBondContact CE2-OD2 3.34Å; Y37-H101 WeakPolarHBondContact CE2-O 3.37Å; Y37-H101 PolarHBondContact OH-O 3.42Å; Y37-K104 HydrophobicContact CD1-CD 4.35Å; Y37-K104 HydrophobicContact CE1-CB 3.64Å; Y37-K104 HydrophobicContact CE1-CD 3.49Å; Y37-K104 VanDerWaalsContact CE1-CD 3.49Å; Y37-K104 HydrophobicContact CE1-CG 4.26Å; Y37-K104 WeakPolarHBondContact OH-CB 3.41Å; Y37-V105 HydrophobicContact CD2-CG2 4.4Å; Y37-V105 HydrophobicContact CE1-CG2 4.17Å; Y37-V105 HydrophobicContact CE2-CG2 3.76Å; Y37-V105 PolarHBondContact OH-N 2.86Å; Y37-E180 PolarHBondContact OH-OE1 3.31Å; Y37-E180 PolarHBondContact OH-OE2 3.07Å; Y37-V282 HydrophobicContact CE2-CG2 4.41Å
38	V	94.3	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.			trans	-83.6	13.2	-166.8	-57.7	0	0	0	0	115.6	A40 T98 D99 E100 V105 Y119 C120 M123 F127	V38-A40 PolarHBondContact O-N 3.25Å; V38-T98 VanDerWaalsContact CG1-CB 3.42Å; V38-T98 HydrophobicContact CG1-CG2 3.56Å; V38-D99 PolarHBondContact N-O 3.43Å; V38-D99 VanDerWaalsContact N-O 3.14Å; V38-E100 HydrophobicContact CG1-CG 4.08Å; V38-E100 HydrophobicContact CG2-CB 4.3Å; V38-E100 HydrophobicContact CG2-CG 4.01Å; V38-V105 HydrophobicContact CG2-CG1 4.15Å; V38-V105 HydrophobicContact CG2-CG2 3.79Å; V38-Y119 WeakPolarHBondContact O-CE1 3.45Å; V38-Y119 PolarHBondContact O-OH 3Å; V38-C120 HydrophobicContact CG2-CB 4.5Å; V38-M123 HydrophobicContact CB-CB 4Å; V38-F127 HydrophobicContact CG1-CE2 4.14Å
39	N	92.4	Very high	95	Very high	33 Å²	33	18.5 Å²	18.5	18%	0.176	9%	0.092	C	C	.	.	S	Bend	trans	-73.1	6	-179.3	71.1	-28.1	0	0	0	114	Y37 K104 V105 A108 K360	Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 HydrophobicContact CD1-CB 3.9Å; Y37-N39 WeakPolarHBondContact CD1-OD1 3.4Å; Y37-N39 HydrophobicContact CE1-CB 3.65Å; Y37-N39 PolarHBondContact O-N 3.18Å; Y37-N39 VanDerWaalsContact O-N 3.16Å; Y37-N39 PolarHBondContact O-OD1 3.26Å; N39-K104 HydrophobicContact CB-CB 4.17Å; N39-V105 HydrophobicContact CB-CG2 4.2Å; N39-A108 HydrophobicContact CB-CB 4.33Å; N39-K360 PolarHBondContact ND2-NZ 3.12Å; N39-K360 PolarHBondContact O-NZ 3.05Å; N39-K360 PolarHBondContact OD1-NZ 2.89Å
40	A	92.5	Very high	95.2	Very high	20 Å²	20	15.9 Å²	15.9	17%	0.165	8%	0.081	C	C	.	.	S	Bend	trans	-162.5	176	163.1	0	0	0	0	0	110.3	V38 K360	V38-A40 PolarHBondContact O-N 3.25Å; A40-K360 HydrophobicContact CB-CD 3.92Å; A40-K360 HydrophobicContact CB-CG 4.49Å
41	K	93.5	Very high	95.2	Very high	123 Å²	123	15.9 Å²	15.9	54%	0.535	8%	0.081	S	C	.	.			trans	-60.3	153.9	172.2	-62.7	-171.6	177.8	-177.3	0	112.4	M123 L126	K41-M123 HydrophobicContact CG-SD 4.48Å; K41-L126 HydrophobicContact CD-CD1 4.37Å; K41-L126 HydrophobicContact CG-CD1 3.88Å
42	P	95	Very high	95.2	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.039	8%	0.081	C	C	.	.			trans	-59.4	159.4	171.7	24.1	-33.6	0	0	0	112.4	H46 L126 F127 L130	P42-H46 HydrophobicContact CB-CB 4.45Å; P42-L126 HydrophobicContact CG-CB 4.19Å; P42-F127 HydrophobicContact CB-CD1 3.98Å; P42-F127 HydrophobicContact CB-CE1 3.89Å; P42-F127 HydrophobicContact CB-CZ 4.37Å; P42-L130 HydrophobicContact CB-CB 4.38Å; P42-L130 HydrophobicContact CB-CD2 3.73Å; P42-L130 HydrophobicContact CG-CB 4.36Å
43	H	94.5	Very high	95.2	Very high	35 Å²	35	15.9 Å²	15.9	16%	0.162	8%	0.081	C	C	.	.			trans	-145.9	173.1	-179.1	59.6	55.5	0	0	0	109.7	G45 H46 A47 M358 Q365 V366	H43-G45 WeakPolarHBondContact ND1-CA 3.44Å; H43-G45 PolarHBondContact ND1-N 2.92Å; H43-G45 PolarHBondContact O-N 3.23Å; H43-G45 VanDerWaalsContact O-N 3.07Å; H43-H46 AromaticContact CD2-CE1 3.38Å; H43-H46 PolarHBondContact CD2-CE1 3.29Å; H43-H46 AromaticContact CD2-ND1 3.52Å; H43-H46 AromaticContact CE1-CE1 3.44Å; H43-H46 PolarHBondContact CE1-CE1 3.21Å; H43-H46 VanDerWaalsContact CE1-CE1 3.44Å; H43-H46 AromaticContact CE1-CG 3.98Å; H43-H46 AromaticContact CE1-ND1 3.46Å; H43-H46 PolarHBondContact CE1-ND1 3.01Å; H43-H46 AromaticContact CE1-NE2 3.9Å; H43-H46 AromaticContact CG-CE1 3.84Å; H43-H46 AromaticContact CG-ND1 3.48Å; H43-H46 PolarHBondContact N-ND1 3.36Å; H43-H46 VanDerWaalsContact N-ND1 3.13Å; H43-H46 AromaticContact ND1-CE1 3.86Å; H43-H46 PolarHBondContact ND1-N 3.07Å; H43-H46 AromaticContact ND1-ND1 3.43Å; H43-H46 PolarHBondContact ND1-ND1 2.93Å; H43-H46 AromaticContact NE2-CE1 3.14Å; H43-H46 PolarHBondContact NE2-CE1 3.45Å; H43-H46 AromaticContact NE2-ND1 3.54Å; H43-H46 AromaticContact NE2-NE2 3.8Å; H43-H46 WeakPolarHBondContact O-CB 3.36Å; H43-H46 PolarHBondContact O-N 3.08Å; H43-A47 PolarHBondContact O-N 2.93Å; H43-M358 HydrophobicContact CB-SD 4.34Å; H43-Q365 HydrophobicContact CB-CB 4.29Å; H43-Q365 PolarHBondContact CD2-NE2 2.89Å; H43-Q365 VanDerWaalsContact CD2-NE2 3.34Å; H43-V366 CarbonylContact C-O 3.47Å; H43-V366 VanDerWaalsContact CA-O 3.25Å; H43-V366 WeakPolarHBondContact CA-O 3.29Å
44	L	94.8	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-52.1	-35.1	-177.5	-68.6	-179	0	0	0	114.9	H46 A47 Y48 V351 V353 M358 V366 P368 L393 Y409	L44-H46 VanDerWaalsContact C-N 3.35Å; L44-H46 PolarHBondContact O-N 3.43Å; L44-A47 WeakPolarHBondContact O-CB 3.48Å; L44-A47 PolarHBondContact O-N 3.48Å; L44-Y48 PolarHBondContact O-N 3Å; L44-V351 HydrophobicContact CB-CG1 4.18Å; L44-V353 HydrophobicContact CD1-CG2 4.17Å; L44-M358 HydrophobicContact CB-CE 3.99Å; L44-M358 HydrophobicContact CB-SD 4.35Å; L44-V366 HydrophobicContact CD1-CB 3.78Å; L44-V366 HydrophobicContact CD1-CG1 3.75Å; L44-V366 HydrophobicContact CD1-CG2 4.46Å; L44-V366 HydrophobicContact CD2-CG1 4.32Å; L44-V366 HydrophobicContact CG-CB 3.89Å; L44-V366 HydrophobicContact CG-CG1 3.85Å; L44-V366 PolarHBondContact N-O 3.4Å; L44-V366 VanDerWaalsContact N-O 3.14Å; L44-P368 HydrophobicContact CD2-CB 4.13Å; L44-L393 HydrophobicContact CD2-CD1 3.92Å; L44-L393 HydrophobicContact CD2-CD2 4.06Å; L44-L393 HydrophobicContact CD2-CG 4.48Å; L44-Y409 HydrophobicContact CD1-CD1 3.43Å; L44-Y409 VanDerWaalsContact CD1-CD1 3.43Å; L44-Y409 HydrophobicContact CD1-CD2 4.38Å; L44-Y409 HydrophobicContact CD1-CE1 3.77Å; L44-Y409 HydrophobicContact CD1-CG 3.79Å
45	G	94.7	Very high	95.3	Very high	13 Å²	13	15.5 Å²	15.5	13%	0.134	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-41.3	173.1	0	0	0	0	0	113.9	H43 T49	H43-G45 WeakPolarHBondContact ND1-CA 3.44Å; H43-G45 PolarHBondContact ND1-N 2.92Å; H43-G45 PolarHBondContact O-N 3.23Å; H43-G45 VanDerWaalsContact O-N 3.07Å; G45-T49 PolarHBondContact O-N 3.42Å; G45-T49 PolarHBondContact O-OG1 3.39Å
46	H	95.9	Very high	95.4	Very high	32 Å²	32	15 Å²	15	15%	0.148	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-44.9	174.4	-58.3	119.9	0	0	0	110.7	F36 P42 H43 L44 Y48 T49 T50 L130	F36-H46 HydrophobicContact CD1-CB 4.47Å; F36-H46 AromaticContact CD1-CD2 3.28Å; F36-H46 WeakPolarHBondContact CD1-CD2 3.16Å; F36-H46 HydrophobicContact CE1-CB 4.23Å; F36-H46 AromaticContact CE1-CD2 3.66Å; F36-H46 AromaticContact CG-CD2 3.93Å; F36-H46 HydrophobicContact CZ-CB 4.4Å; P42-H46 HydrophobicContact CB-CB 4.45Å; H43-H46 AromaticContact CD2-CE1 3.38Å; H43-H46 PolarHBondContact CD2-CE1 3.29Å; H43-H46 AromaticContact CD2-ND1 3.52Å; H43-H46 AromaticContact CE1-CE1 3.44Å; H43-H46 PolarHBondContact CE1-CE1 3.21Å; H43-H46 VanDerWaalsContact CE1-CE1 3.44Å; H43-H46 AromaticContact CE1-CG 3.98Å; H43-H46 AromaticContact CE1-ND1 3.46Å; H43-H46 PolarHBondContact CE1-ND1 3.01Å; H43-H46 AromaticContact CE1-NE2 3.9Å; H43-H46 AromaticContact CG-CE1 3.84Å; H43-H46 AromaticContact CG-ND1 3.48Å; H43-H46 PolarHBondContact N-ND1 3.36Å; H43-H46 VanDerWaalsContact N-ND1 3.13Å; H43-H46 AromaticContact ND1-CE1 3.86Å; H43-H46 PolarHBondContact ND1-N 3.07Å; H43-H46 AromaticContact ND1-ND1 3.43Å; H43-H46 PolarHBondContact ND1-ND1 2.93Å; H43-H46 AromaticContact NE2-CE1 3.14Å; H43-H46 PolarHBondContact NE2-CE1 3.45Å; H43-H46 AromaticContact NE2-ND1 3.54Å; H43-H46 AromaticContact NE2-NE2 3.8Å; H43-H46 WeakPolarHBondContact O-CB 3.36Å; H43-H46 PolarHBondContact O-N 3.08Å; L44-H46 VanDerWaalsContact C-N 3.35Å; L44-H46 PolarHBondContact O-N 3.43Å; H46-Y48 VanDerWaalsContact C-N 3.31Å; H46-Y48 PolarHBondContact O-N 3.19Å; H46-T49 PolarHBondContact O-N 3.01Å; H46-T50 WeakPolarHBondContact O-CG2 3.37Å; H46-T50 PolarHBondContact O-N 3.02Å; H46-T50 VanDerWaalsContact O-N 3.08Å; H46-T50 PolarHBondContact O-OG1 3.5Å; H46-L130 HydrophobicContact CB-CD2 3.83Å
47	A	95.9	Very high	95.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.8	-42.7	178.1	0	0	0	0	0	112.3	H43 L44 T50 C51 L130 P368 L397	H43-A47 PolarHBondContact O-N 2.93Å; L44-A47 WeakPolarHBondContact O-CB 3.48Å; L44-A47 PolarHBondContact O-N 3.48Å; A47-T50 PolarHBondContact O-OG1 3.41Å; A47-C51 VanDerWaalsContact O-CB 3.27Å; A47-C51 WeakPolarHBondContact O-CB 3.34Å; A47-C51 PolarHBondContact O-N 3.47Å; A47-C51 PolarHBondContact O-SG 3.22Å; A47-L130 HydrophobicContact CB-CD1 3.75Å; A47-L130 HydrophobicContact CB-CD2 4.41Å; A47-P368 HydrophobicContact CB-CB 3.93Å; A47-P368 HydrophobicContact CB-CG 4.38Å; A47-L397 HydrophobicContact CB-CD1 3.7Å
48	Y	97.1	Very high	95.3	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-58.9	-53.2	178.4	168.8	-101.1	0	0	0	110.8	L44 H46 T50 C51 L52 H348 V351 L397 L402	L44-Y48 PolarHBondContact O-N 3Å; H46-Y48 VanDerWaalsContact C-N 3.31Å; H46-Y48 PolarHBondContact O-N 3.19Å; Y48-T50 PolarHBondContact O-N 3.25Å; Y48-C51 PolarHBondContact O-N 2.99Å; Y48-L52 HydrophobicContact CE1-CD2 3.91Å; Y48-L52 VanDerWaalsContact O-CB 3.31Å; Y48-L52 WeakPolarHBondContact O-CB 2.98Å; Y48-L52 PolarHBondContact O-N 2.88Å; Y48-H348 AromaticContact CD1-ND1 3.9Å; Y48-H348 HydrophobicContact CE1-CB 3.63Å; Y48-H348 AromaticContact CE1-CG 3.61Å; Y48-H348 AromaticContact CE1-ND1 3.82Å; Y48-V351 HydrophobicContact CG-CG2 4.35Å; Y48-L397 HydrophobicContact CD2-CB 4.18Å; Y48-L397 WeakPolarHBondContact CD2-O 3.31Å; Y48-L397 WeakPolarHBondContact CE2-O 3.47Å; Y48-L402 HydrophobicContact CD1-CD1 4.01Å; Y48-L402 HydrophobicContact CD2-CD1 3.49Å; Y48-L402 VanDerWaalsContact CD2-CD1 3.49Å; Y48-L402 HydrophobicContact CE1-CB 3.83Å; Y48-L402 HydrophobicContact CE1-CD1 4.06Å; Y48-L402 HydrophobicContact CE2-CB 3.88Å; Y48-L402 HydrophobicContact CE2-CD1 3.55Å; Y48-L402 HydrophobicContact CE2-CG 4.29Å; Y48-L402 HydrophobicContact CG-CD1 3.72Å; Y48-L402 VanDerWaalsContact CZ-CB 3.43Å; Y48-L402 WeakPolarHBondContact OH-CB 3.5Å
49	T	96.9	Very high	95.3	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-69.7	-35.8	-173.6	-39.1	0	0	0	0	112.3	P34 G45 H46 L52 A53 F317 H348	P34-T49 HydrophobicContact CG-CG2 3.47Å; P34-T49 VanDerWaalsContact CG-CG2 3.47Å; G45-T49 PolarHBondContact O-N 3.42Å; G45-T49 PolarHBondContact O-OG1 3.39Å; H46-T49 PolarHBondContact O-N 3.01Å; T49-L52 PolarHBondContact O-N 2.85Å; T49-A53 WeakPolarHBondContact O-CB 3.46Å; T49-A53 PolarHBondContact O-N 3.42Å; T49-F317 HydrophobicContact CG2-CB 3.86Å; T49-H348 VanDerWaalsContact CG2-NE2 3.35Å; T49-H348 WeakPolarHBondContact CG2-NE2 3.34Å; T49-H348 PolarHBondContact OG1-CE1 3.1Å; T49-H348 PolarHBondContact OG1-NE2 2.98Å
50	T	96.8	Very high	95.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-43.8	173	53.2	0	0	0	0	111.7	F36 H46 A47 Y48 L52 A53 D54 V136	F36-T50 HydrophobicContact CE2-CG2 3.31Å; F36-T50 HydrophobicContact CZ-CG2 3.43Å; F36-T50 VanDerWaalsContact CZ-CG2 3.43Å; H46-T50 WeakPolarHBondContact O-CG2 3.37Å; H46-T50 PolarHBondContact O-N 3.02Å; H46-T50 VanDerWaalsContact O-N 3.08Å; H46-T50 PolarHBondContact O-OG1 3.5Å; A47-T50 PolarHBondContact O-OG1 3.41Å; Y48-T50 PolarHBondContact O-N 3.25Å; T50-L52 VanDerWaalsContact C-N 3.33Å; T50-L52 PolarHBondContact O-N 3.11Å; T50-A53 PolarHBondContact O-N 2.76Å; T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 3.04Å; T50-V136 WeakPolarHBondContact O-CG2 3.32Å
51	C	97.2	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-40	177	-69.8	0	0	0	0	111.7	A47 Y48 A55 R394 L398	A47-C51 VanDerWaalsContact O-CB 3.27Å; A47-C51 WeakPolarHBondContact O-CB 3.34Å; A47-C51 PolarHBondContact O-N 3.47Å; A47-C51 PolarHBondContact O-SG 3.22Å; Y48-C51 PolarHBondContact O-N 2.99Å; C51-A55 WeakPolarHBondContact O-CB 3.49Å; C51-A55 PolarHBondContact O-N 3.12Å; C51-R394 HydrophobicContact CB-CB 4.13Å; C51-R394 WeakPolarHBondContact SG-CB 3.24Å; C51-L398 HydrophobicContact CB-CD2 4.49Å; C51-L398 HydrophobicContact CB-CG 4.45Å
52	L	97.9	Very high	94.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64	-43.4	177.4	-175.7	68.1	0	0	0	111.5	Y48 T49 T50 A55 W56 F317 L398 L403 P486	Y48-L52 HydrophobicContact CE1-CD2 3.91Å; Y48-L52 VanDerWaalsContact O-CB 3.31Å; Y48-L52 WeakPolarHBondContact O-CB 2.98Å; Y48-L52 PolarHBondContact O-N 2.88Å; T49-L52 PolarHBondContact O-N 2.85Å; T50-L52 VanDerWaalsContact C-N 3.33Å; T50-L52 PolarHBondContact O-N 3.11Å; L52-A55 PolarHBondContact O-N 3.48Å; L52-W56 PolarHBondContact O-N 2.72Å; L52-F317 HydrophobicContact CB-CE1 4.27Å; L52-F317 HydrophobicContact CB-CZ 4.48Å; L52-F317 HydrophobicContact CD1-CE1 4.33Å; L52-F317 HydrophobicContact CD2-CD1 3.61Å; L52-F317 HydrophobicContact CD2-CE1 3.24Å; L52-F317 HydrophobicContact CD2-CZ 4.18Å; L52-F317 HydrophobicContact CG-CD1 4.08Å; L52-F317 HydrophobicContact CG-CE1 3.31Å; L52-F317 HydrophobicContact CG-CZ 3.74Å; L52-F317 WeakPolarHBondContact O-CZ 3.49Å; L52-L398 HydrophobicContact CB-CD2 4.11Å; L52-L398 HydrophobicContact CD1-CD2 3.92Å; L52-L403 HydrophobicContact CD1-CD1 4.46Å; L52-L403 HydrophobicContact CD2-CD1 4.35Å; L52-L403 HydrophobicContact CD2-CD2 4.06Å; L52-L403 HydrophobicContact CD2-CG 4.44Å; L52-P486 HydrophobicContact CD1-CG 3.84Å
53	A	97.5	Very high	94.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66	-45.5	177.8	0	0	0	0	0	113.1	I31 T49 T50 A55 W56 A57 L94 F317	I31-A53 HydrophobicContact CG2-CB 4.22Å; T49-A53 WeakPolarHBondContact O-CB 3.46Å; T49-A53 PolarHBondContact O-N 3.42Å; T50-A53 PolarHBondContact O-N 2.76Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A53-A55 PolarHBondContact O-N 2.9Å; A53-W56 PolarHBondContact O-N 2.87Å; A53-A57 PolarHBondContact O-N 3.47Å; A53-L94 HydrophobicContact CB-CD1 3.87Å; A53-L94 HydrophobicContact CB-CD2 4.47Å; A53-F317 HydrophobicContact CB-CD2 3.6Å; A53-F317 HydrophobicContact CB-CE2 3.59Å; A53-F317 HydrophobicContact CB-CG 4.37Å; A53-F317 HydrophobicContact CB-CZ 4.28Å
54	D	95.9	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-41.9	172.8	177	71	0	0	0	111.9	T50 W56 A57 R58 Y86 L94 V136 K137 R394	T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 3.04Å; D54-W56 PolarHBondContact O-N 3.12Å; D54-A57 WeakPolarHBondContact O-CB 3.44Å; D54-A57 PolarHBondContact O-N 2.99Å; D54-R58 VanDerWaalsContact CG-NE 3.33Å; D54-R58 WeakPolarHBondContact O-CB 3.41Å; D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.2Å; D54-R58 PolarHBondContact O-N 2.57Å; D54-R58 IonicContact OD1-CZ 3.96Å; D54-R58 IonicContact OD1-NE 3.81Å; D54-R58 PolarHBondContact OD1-NE 3.46Å; D54-R58 IonicContact OD1-NH2 3.35Å; D54-R58 IonicContact OD2-CZ 3.8Å; D54-R58 IonicContact OD2-NE 3.96Å; D54-R58 PolarHBondContact OD2-NE 2.68Å; D54-R58 IonicContact OD2-NH2 2.93Å; D54-Y86 WeakPolarHBondContact OD1-CE1 3.5Å; D54-Y86 PolarHBondContact OD1-OH 3.13Å; D54-L94 HydrophobicContact CB-CD2 4.18Å; D54-V136 HydrophobicContact CB-CB 4.17Å; D54-V136 HydrophobicContact CB-CG1 3.97Å; D54-V136 HydrophobicContact CB-CG2 3.89Å; D54-K137 PolarHBondContact OD1-N 2.96Å; D54-K137 VanDerWaalsContact OD1-N 3.08Å; D54-R394 IonicContact OD2-CZ 3.94Å; D54-R394 IonicContact OD2-NH1 3.25Å; D54-R394 PolarHBondContact OD2-NH1 3.3Å; D54-R394 IonicContact OD2-NH2 2.73Å; D54-R394 PolarHBondContact OD2-NH2 3.26Å
55	A	96.2	Very high	93.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-39.7	178.5	0	0	0	0	0	111.6	C51 L52 A53 Y59 L398 W480 P538	C51-A55 WeakPolarHBondContact O-CB 3.49Å; C51-A55 PolarHBondContact O-N 3.12Å; L52-A55 PolarHBondContact O-N 3.48Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A53-A55 PolarHBondContact O-N 2.9Å; A55-Y59 VanDerWaalsContact O-CB 3.28Å; A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 2.76Å; A55-L398 HydrophobicContact CB-CD1 3.92Å; A55-L398 HydrophobicContact CB-CD2 4.39Å; A55-W480 HydrophobicContact CB-CH2 3.86Å; A55-W480 HydrophobicContact CB-CZ2 3.63Å; A55-P538 HydrophobicContact CB-CB 4.2Å; A55-P538 VanDerWaalsContact CB-O 3.24Å; A55-P538 WeakPolarHBondContact CB-O 3.41Å; A55-P538 WeakPolarHBondContact O-CB 3.4Å
56	W	95.6	Very high	93.3	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-39	171.6	-99.3	-31.7	0	0	0	113.1	I31 L52 A53 D54 Y59 S60 V315 F317 I346 L403 W480 W481 A484	I31-W56 HydrophobicContact CD1-CB 3.98Å; L52-W56 PolarHBondContact O-N 2.72Å; A53-W56 PolarHBondContact O-N 2.87Å; D54-W56 PolarHBondContact O-N 3.12Å; W56-Y59 PolarHBondContact O-N 3.47Å; W56-S60 WeakPolarHBondContact O-CB 3.42Å; W56-S60 PolarHBondContact O-N 3.02Å; W56-S60 PolarHBondContact O-OG 2.83Å; W56-V315 HydrophobicContact CE3-CG1 3.72Å; W56-V315 HydrophobicContact CZ3-CG1 3.71Å; W56-F317 HydrophobicContact CB-CE2 4.32Å; W56-F317 HydrophobicContact CB-CZ 4.05Å; W56-F317 HydrophobicContact CD2-CE1 4.05Å; W56-F317 HydrophobicContact CD2-CE2 4.24Å; W56-F317 AromaticContact CD2-CZ 3.47Å; W56-F317 HydrophobicContact CD2-CZ 3.47Å; W56-F317 VanDerWaalsContact CD2-CZ 3.47Å; W56-F317 HydrophobicContact CE3-CD1 4.27Å; W56-F317 HydrophobicContact CE3-CD2 4.39Å; W56-F317 AromaticContact CE3-CE1 3.2Å; W56-F317 HydrophobicContact CE3-CE1 3.2Å; W56-F317 AromaticContact CE3-CE2 3.34Å; W56-F317 HydrophobicContact CE3-CE2 3.34Å; W56-F317 AromaticContact CE3-CZ 2.73Å; W56-F317 HydrophobicContact CE3-CZ 2.73Å; W56-F317 HydrophobicContact CG-CZ 4.08Å; W56-F317 AromaticContact CH2-CE1 3.8Å; W56-F317 HydrophobicContact CH2-CE1 3.8Å; W56-F317 HydrophobicContact CH2-CZ 4.19Å; W56-F317 AromaticContact CZ3-CD1 3.81Å; W56-F317 HydrophobicContact CZ3-CD1 3.81Å; W56-F317 AromaticContact CZ3-CE1 2.93Å; W56-F317 HydrophobicContact CZ3-CE1 2.93Å; W56-F317 AromaticContact CZ3-CE2 3.86Å; W56-F317 HydrophobicContact CZ3-CE2 3.86Å; W56-F317 AromaticContact CZ3-CZ 3.1Å; W56-F317 HydrophobicContact CZ3-CZ 3.1Å; W56-I346 HydrophobicContact CE3-CG1 4.49Å; W56-I346 HydrophobicContact CH2-CB 3.67Å; W56-I346 HydrophobicContact CH2-CD1 3.67Å; W56-I346 HydrophobicContact CH2-CG1 3.35Å; W56-I346 HydrophobicContact CH2-CG2 3.27Å; W56-I346 HydrophobicContact CZ3-CB 3.48Å; W56-I346 VanDerWaalsContact CZ3-CB 3.48Å; W56-I346 HydrophobicContact CZ3-CD1 4.13Å; W56-I346 HydrophobicContact CZ3-CG1 3.29Å; W56-I346 HydrophobicContact CZ3-CG2 3.47Å; W56-I346 VanDerWaalsContact CZ3-CG2 3.47Å; W56-L403 HydrophobicContact CH2-CD1 4.32Å; W56-L403 HydrophobicContact CZ2-CD1 4.49Å; W56-W480 AromaticContact CD1-CD1 3.34Å; W56-W480 AromaticContact CD1-CE2 3.98Å; W56-W480 AromaticContact CD1-NE1 2.87Å; W56-W480 AromaticContact CG-NE1 3.91Å; W56-W480 AromaticContact NE1-CD1 3.14Å; W56-W480 AromaticContact NE1-NE1 3.07Å; W56-W480 PolarHBondContact NE1-O 3Å; W56-W480 VanDerWaalsContact NE1-O 3.12Å; W56-W481 AromaticContact CD1-CE3 3.72Å; W56-W481 AromaticContact CD1-CZ3 3.77Å; W56-W481 HydrophobicContact CG-CZ3 4.36Å; W56-A484 HydrophobicContact CH2-CB 4.14Å; W56-A484 HydrophobicContact CZ2-CB 4.03Å
57	A	94.3	Very high	92.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-50.6	176.6	0	0	0	0	0	111	I31 A53 D54 S60 C61 Y86 M92 L94	I31-A57 HydrophobicContact CD1-CB 4.05Å; A53-A57 PolarHBondContact O-N 3.47Å; D54-A57 WeakPolarHBondContact O-CB 3.44Å; D54-A57 PolarHBondContact O-N 2.99Å; A57-S60 PolarHBondContact O-N 3.47Å; A57-S60 PolarHBondContact O-OG 2.84Å; A57-C61 PolarHBondContact O-SG 2.91Å; A57-Y86 HydrophobicContact CB-CD2 4.21Å; A57-Y86 HydrophobicContact CB-CE1 4.32Å; A57-Y86 HydrophobicContact CB-CE2 3.73Å; A57-M92 HydrophobicContact CB-CE 4.29Å; A57-M92 HydrophobicContact CB-CG 4.03Å; A57-M92 HydrophobicContact CB-SD 3.91Å; A57-L94 HydrophobicContact CB-CB 4.42Å; A57-L94 HydrophobicContact CB-CD2 4.31Å
58	R	93.1	Very high	92.6	Very high	8 Å²	8	18.5 Å²	18.5	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-57.2	-51.7	174.6	-71.1	174	-172.6	-83.3	-0.8	111.9	D54 S60 C61 L62 Y86 H135 P538	D54-R58 VanDerWaalsContact CG-NE 3.33Å; D54-R58 WeakPolarHBondContact O-CB 3.41Å; D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.2Å; D54-R58 PolarHBondContact O-N 2.57Å; D54-R58 IonicContact OD1-CZ 3.96Å; D54-R58 IonicContact OD1-NE 3.81Å; D54-R58 PolarHBondContact OD1-NE 3.46Å; D54-R58 IonicContact OD1-NH2 3.35Å; D54-R58 IonicContact OD2-CZ 3.8Å; D54-R58 IonicContact OD2-NE 3.96Å; D54-R58 PolarHBondContact OD2-NE 2.68Å; D54-R58 IonicContact OD2-NH2 2.93Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3.12Å; R58-C61 WeakPolarHBondContact O-CB 3.46Å; R58-C61 PolarHBondContact O-N 3.17Å; R58-L62 PolarHBondContact O-N 2.78Å; R58-Y86 HydrophobicContact CB-CD1 4.47Å; R58-Y86 HydrophobicContact CG-CD1 3.6Å; R58-Y86 HydrophobicContact CG-CE1 3.47Å; R58-Y86 VanDerWaalsContact CG-CE1 3.47Å; R58-H135 PolarHBondContact NH2-O 3.44Å; R58-P538 HydrophobicContact CB-CB 3.91Å; R58-P538 HydrophobicContact CB-CG 4.11Å
59	Y	93.7	Very high	92.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-41	-175.8	-176.9	-113.1	0	0	0	111.9	A55 W56 C61 L62 R63 F476 D477 W480 W481 L535 P538	A55-Y59 VanDerWaalsContact O-CB 3.28Å; A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 2.76Å; W56-Y59 PolarHBondContact O-N 3.47Å; Y59-C61 PolarHBondContact O-N 2.76Å; Y59-C61 VanDerWaalsContact O-N 3.1Å; Y59-L62 HydrophobicContact CD2-CB 4.43Å; Y59-L62 HydrophobicContact CD2-CD2 4.35Å; Y59-L62 CarbonylContact O-C 3.56Å; Y59-L62 WeakPolarHBondContact O-CA 3.37Å; Y59-L62 WeakPolarHBondContact O-CB 3.24Å; Y59-L62 PolarHBondContact O-N 3.24Å; Y59-R63 HydrophobicContact CD1-CG 3.66Å; Y59-R63 HydrophobicContact CE1-CG 3.32Å; Y59-R63 HydrophobicContact CE2-CG 4.3Å; Y59-R63 HydrophobicContact CG-CG 4.31Å; Y59-R63 WeakPolarHBondContact O-CG 3.12Å; Y59-R63 PolarHBondContact O-N 2.85Å; Y59-F476 HydrophobicContact CD2-CD1 4.19Å; Y59-F476 AromaticContact CD2-CE1 3.61Å; Y59-F476 HydrophobicContact CD2-CE1 3.61Å; Y59-F476 HydrophobicContact CE1-CD1 4.34Å; Y59-F476 HydrophobicContact CE1-CE1 4.33Å; Y59-F476 AromaticContact CE2-CD1 3.44Å; Y59-F476 HydrophobicContact CE2-CD1 3.44Å; Y59-F476 VanDerWaalsContact CE2-CD1 3.44Å; Y59-F476 AromaticContact CE2-CE1 3.35Å; Y59-F476 HydrophobicContact CE2-CE1 3.35Å; Y59-F476 HydrophobicContact CG-CE1 4.23Å; Y59-F476 AromaticContact CZ-CD1 3.54Å; Y59-F476 AromaticContact CZ-CE1 3.76Å; Y59-D477 WeakPolarHBondContact CE1-OD1 3.36Å; Y59-D477 WeakPolarHBondContact OH-CA 3.17Å; Y59-D477 VanDerWaalsContact OH-CB 3.22Å; Y59-D477 WeakPolarHBondContact OH-CB 3.35Å; Y59-D477 PolarHBondContact OH-N 2.81Å; Y59-D477 PolarHBondContact OH-OD1 3.25Å; Y59-W480 HydrophobicContact CD1-CB 4.5Å; Y59-W480 AromaticContact CD1-CD1 3.14Å; Y59-W480 HydrophobicContact CD1-CD2 4.48Å; Y59-W480 AromaticContact CD1-CG 3.84Å; Y59-W480 HydrophobicContact CD1-CG 3.84Å; Y59-W480 AromaticContact CD1-NE1 3.45Å; Y59-W480 HydrophobicContact CE1-CB 4.2Å; Y59-W480 AromaticContact CE1-CD1 3.63Å; Y59-W480 HydrophobicContact CE1-CG 4.02Å; Y59-W480 AromaticContact CG-CD1 3.79Å; Y59-W480 HydrophobicContact CG-CG 4.32Å; Y59-W480 AromaticContact CG-NE1 3.69Å; Y59-W481 HydrophobicContact CD1-CE3 4.01Å; Y59-W481 HydrophobicContact CE1-CE3 4.39Å; Y59-L535 HydrophobicContact CE2-CD2 4.42Å; Y59-P538 HydrophobicContact CD2-CG 4.14Å; Y59-P538 HydrophobicContact CG-CG 4.42Å
60	S	91.9	Very high	92.1	Very high	25 Å²	25	25 Å²	25	18%	0.175	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-28.6	178.5	74.8	0	0	0	0	113.8	W56 A57 R58 M92	W56-S60 WeakPolarHBondContact O-CB 3.42Å; W56-S60 PolarHBondContact O-N 3.02Å; W56-S60 PolarHBondContact O-OG 2.83Å; A57-S60 PolarHBondContact O-N 3.47Å; A57-S60 PolarHBondContact O-OG 2.84Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3.12Å; S60-M92 WeakPolarHBondContact OG-CE 3.34Å
61	C	88.1	Confident	91.9	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.108	13%	0.131	C	C	.	.	H	α-helix	trans	-77.7	-26.1	174.9	-61.6	0	0	0	0	112.1	A57 R58 Y59 Q65 Y86 L89	A57-C61 PolarHBondContact O-SG 2.91Å; R58-C61 WeakPolarHBondContact O-CB 3.46Å; R58-C61 PolarHBondContact O-N 3.17Å; Y59-C61 PolarHBondContact O-N 2.76Å; Y59-C61 VanDerWaalsContact O-N 3.1Å; C61-Q65 WeakPolarHBondContact O-CG 3.46Å; C61-Q65 PolarHBondContact O-NE2 2.89Å; C61-Y86 VanDerWaalsContact SG-CB 3.58Å; C61-L89 HydrophobicContact CB-CD1 4.41Å
62	L	88.5	Confident	91.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-87	-22	177.8	-177.1	58.2	0	0	0	113.3	R58 Y59 N64 Q65 I67 L68 V83 L534	R58-L62 PolarHBondContact O-N 2.78Å; Y59-L62 HydrophobicContact CD2-CB 4.43Å; Y59-L62 HydrophobicContact CD2-CD2 4.35Å; Y59-L62 CarbonylContact O-C 3.56Å; Y59-L62 WeakPolarHBondContact O-CA 3.37Å; Y59-L62 WeakPolarHBondContact O-CB 3.24Å; Y59-L62 PolarHBondContact O-N 3.24Å; L62-N64 PolarHBondContact O-N 2.69Å; L62-Q65 VanDerWaalsContact O-CB 3.31Å; L62-Q65 WeakPolarHBondContact O-CB 3.22Å; L62-Q65 WeakPolarHBondContact O-CG 3.43Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-I67 HydrophobicContact CD1-CD1 3.9Å; L62-I67 HydrophobicContact CD1-CG1 4.31Å; L62-L68 HydrophobicContact CD1-CD1 4.31Å; L62-L68 HydrophobicContact CD1-CD2 3.81Å; L62-L68 HydrophobicContact CD1-CG 4.01Å; L62-L68 HydrophobicContact CD2-CD2 4.2Å; L62-L68 HydrophobicContact CG-CD1 4.07Å; L62-L68 HydrophobicContact CG-CD2 4.05Å; L62-L68 HydrophobicContact CG-CG 4.29Å; L62-L68 WeakPolarHBondContact O-CD1 3.48Å; L62-V83 HydrophobicContact CB-CG1 4.24Å; L62-V83 HydrophobicContact CD1-CG1 3.9Å; L62-V83 HydrophobicContact CD1-CG2 3.85Å; L62-V83 HydrophobicContact CD2-CG1 4.37Å; L62-V83 HydrophobicContact CG-CG1 4.38Å; L62-L534 WeakPolarHBondContact CD2-O 3.36Å
63	R	89.8	Confident	89.8	Confident	41 Å²	41	33.1 Å²	33.1	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	137.5	-179.1	-74	-178.3	79.2	-145.4	-0.7	112.1	Y59 Q65 D477 W481 Y482	Y59-R63 HydrophobicContact CD1-CG 3.66Å; Y59-R63 HydrophobicContact CE1-CG 3.32Å; Y59-R63 HydrophobicContact CE2-CG 4.3Å; Y59-R63 HydrophobicContact CG-CG 4.31Å; Y59-R63 WeakPolarHBondContact O-CG 3.12Å; Y59-R63 PolarHBondContact O-N 2.85Å; R63-Q65 PolarHBondContact O-N 3.29Å; R63-D477 WeakPolarHBondContact CG-OD1 3.23Å; R63-D477 IonicContact CZ-OD1 2.69Å; R63-D477 IonicContact CZ-OD2 3.58Å; R63-D477 IonicContact NE-OD1 3.25Å; R63-D477 PolarHBondContact NE-OD1 2.8Å; R63-D477 IonicContact NE-OD2 3.89Å; R63-D477 IonicContact NH2-OD1 3.62Å; R63-D477 PolarHBondContact NH2-OD1 2.87Å; R63-D477 IonicContact NH2-OD2 3.8Å; R63-D477 PolarHBondContact NH2-OD2 3.04Å; R63-W481 VanDerWaalsContact CZ-CD1 3.48Å; R63-W481 VanDerWaalsContact CZ-CG 3.44Å; R63-W481 VanDerWaalsContact NH1-NE1 3.11Å; R63-Y482 PolarHBondContact NH2-OH 3.04Å; R63-Y482 VanDerWaalsContact NH2-OH 3.13Å
64	N	85.6	Confident	88.2	Confident	131 Å²	131	39.7 Å²	39.7	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	16.7	177.1	-55.6	-44.4	0	0	0	114.4	L62	L62-N64 PolarHBondContact O-N 2.69Å
65	Q	86.3	Confident	86.6	Confident	71 Å²	71	40.5 Å²	40.5	33%	0.332	21%	0.205	S	C	.	.			trans	-75	134.3	178	-65.5	-65.8	-13.7	0	0	109.9	C61 L62 R63 I67 L68	C61-Q65 WeakPolarHBondContact O-CG 3.46Å; C61-Q65 PolarHBondContact O-NE2 2.89Å; L62-Q65 VanDerWaalsContact O-CB 3.31Å; L62-Q65 WeakPolarHBondContact O-CB 3.22Å; L62-Q65 WeakPolarHBondContact O-CG 3.43Å; L62-Q65 PolarHBondContact O-N 2.91Å; R63-Q65 PolarHBondContact O-N 3.29Å; Q65-I67 HydrophobicContact CB-CD1 4.28Å; Q65-I67 HydrophobicContact CB-CG1 3.8Å; Q65-I67 PolarHBondContact O-N 3.01Å; Q65-L68 WeakPolarHBondContact O-CB 3.36Å; Q65-L68 PolarHBondContact O-N 3.43Å
66	P	85.4	Confident	84.9	Confident	79 Å²	79	45.3 Å²	45.3	51%	0.513	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-55	-27.6	179.9	-28.4	35.3	0	0	0	114.2	L68 K69 Q72	P66-L68 PolarHBondContact O-N 2.99Å; P66-K69 WeakPolarHBondContact O-CB 3.38Å; P66-K69 PolarHBondContact O-N 3.05Å; P66-Q72 VanDerWaalsContact O-CD 3.3Å; P66-Q72 PolarHBondContact O-NE2 3.22Å; P66-Q72 PolarHBondContact O-OE1 3.43Å; P66-Q72 VanDerWaalsContact O-OE1 3.09Å
67	I	86	Confident	82.8	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.3	-19.3	178.9	64.2	179.7	0	0	0	114.1	L62 Q65 K69 T79 Y80 V83 R530 L534	L62-I67 HydrophobicContact CD1-CD1 3.9Å; L62-I67 HydrophobicContact CD1-CG1 4.31Å; Q65-I67 HydrophobicContact CB-CD1 4.28Å; Q65-I67 HydrophobicContact CB-CG1 3.8Å; Q65-I67 PolarHBondContact O-N 3.01Å; I67-K69 PolarHBondContact O-N 3.05Å; I67-T79 HydrophobicContact CG2-CG2 3.21Å; I67-Y80 HydrophobicContact CB-CE1 4.4Å; I67-Y80 HydrophobicContact CD1-CD1 4.2Å; I67-Y80 HydrophobicContact CD1-CE1 4.45Å; I67-V83 HydrophobicContact CD1-CG2 3.79Å; I67-R530 PolarHBondContact O-NH1 3.46Å; I67-R530 PolarHBondContact O-NH2 3.3Å; I67-L534 HydrophobicContact CB-CD1 4.31Å; I67-L534 HydrophobicContact CD1-CD1 4.34Å; I67-L534 HydrophobicContact CD1-CD2 4.19Å; I67-L534 HydrophobicContact CG1-CD1 4.18Å; I67-L534 WeakPolarHBondContact O-CD1 3.44Å
68	L	91.2	Very high	80.9	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-77.6	-6.6	175.6	-68.2	-178.8	0	0	0	112.8	L62 Q65 P66 S473 I531 L534 L535	L62-L68 HydrophobicContact CD1-CD1 4.31Å; L62-L68 HydrophobicContact CD1-CD2 3.81Å; L62-L68 HydrophobicContact CD1-CG 4.01Å; L62-L68 HydrophobicContact CD2-CD2 4.2Å; L62-L68 HydrophobicContact CG-CD1 4.07Å; L62-L68 HydrophobicContact CG-CD2 4.05Å; L62-L68 HydrophobicContact CG-CG 4.29Å; L62-L68 WeakPolarHBondContact O-CD1 3.48Å; Q65-L68 WeakPolarHBondContact O-CB 3.36Å; Q65-L68 PolarHBondContact O-N 3.43Å; P66-L68 PolarHBondContact O-N 2.99Å; L68-S473 VanDerWaalsContact CD1-OG 3.24Å; L68-S473 WeakPolarHBondContact CD1-OG 3.47Å; L68-I531 VanDerWaalsContact O-CD1 3.3Å; L68-I531 WeakPolarHBondContact O-CD1 3.49Å; L68-L534 HydrophobicContact CD2-CB 3.86Å; L68-L534 HydrophobicContact CD2-CD1 4.28Å; L68-L535 HydrophobicContact CD1-CD2 4.11Å; L68-L535 HydrophobicContact CD2-CD2 3.69Å; L68-L535 HydrophobicContact CD2-CG 4.04Å
69	K	91.5	Very high	79.3	Confident	136 Å²	136	51.3 Å²	51.3	59%	0.591	27%	0.273	S	S	*	.	S	Bend	trans	-82.1	129.8	172.7	-168.8	178.2	-178.3	177.8	0	109.7	P66 I67 Q72 Y75 R530	P66-K69 WeakPolarHBondContact O-CB 3.38Å; P66-K69 PolarHBondContact O-N 3.05Å; I67-K69 PolarHBondContact O-N 3.05Å; K69-Q72 HydrophobicContact CB-CG 4.24Å; K69-Q72 HydrophobicContact CG-CG 4.47Å; K69-Y75 PolarHBondContact O-OH 3.38Å; K69-R530 PolarHBondContact O-NH2 2.9Å
70	P	92.3	Very high	77.8	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.032	27%	0.273	C	S	.	.	S	Bend	trans	-72.5	161.2	176.1	31.9	-37.1	0	0	0	112	Q72 L469 D470 E527 I531	P70-Q72 VanDerWaalsContact C-N 3.33Å; P70-Q72 PolarHBondContact O-N 3.18Å; P70-L469 HydrophobicContact CB-CD2 4.24Å; P70-L469 HydrophobicContact CB-CG 4.13Å; P70-L469 HydrophobicContact CG-CG 4.28Å; P70-D470 WeakPolarHBondContact CG-OD1 3.48Å; P70-E527 WeakPolarHBondContact CA-OE1 3.32Å; P70-E527 HydrophobicContact CB-CG 4.25Å; P70-I531 HydrophobicContact CB-CG1 4.13Å
71	F	91.6	Very high	76.2	Confident	13 Å²	13	52.4 Å²	52.4	6%	0.057	28%	0.28	C	S	.	.	S	Bend	trans	56.4	36.6	170.3	-50.1	-68.8	0	0	0	115.5	Y75 I447 R449 V452 L469 V524 E527	F71-Y75 PolarHBondContact N-OH 2.88Å; F71-I447 HydrophobicContact CD1-CG1 4.09Å; F71-I447 HydrophobicContact CE1-CD1 4.34Å; F71-I447 HydrophobicContact CE1-CG1 4.37Å; F71-R449 HydrophobicContact CB-CB 4.28Å; F71-R449 HydrophobicContact CD2-CB 4.36Å; F71-V452 HydrophobicContact CD1-CG2 3.84Å; F71-V452 HydrophobicContact CE1-CG2 3.59Å; F71-V452 HydrophobicContact CE2-CG2 4.41Å; F71-V452 HydrophobicContact CG-CG2 4.37Å; F71-V452 HydrophobicContact CZ-CG1 4.39Å; F71-V452 HydrophobicContact CZ-CG2 3.9Å; F71-L469 HydrophobicContact CE2-CD2 3.93Å; F71-L469 HydrophobicContact CZ-CD2 3.99Å; F71-V524 HydrophobicContact CE1-CG2 4.33Å; F71-V524 HydrophobicContact CZ-CG2 4.49Å; F71-E527 HydrophobicContact CD1-CB 4.29Å; F71-E527 HydrophobicContact CD1-CG 3.73Å; F71-E527 HydrophobicContact CE1-CB 3.93Å; F71-E527 HydrophobicContact CE1-CG 3.73Å; F71-E527 HydrophobicContact CG-CG 4.26Å; F71-E527 HydrophobicContact CZ-CG 4.27Å; F71-E527 PolarHBondContact N-OE1 2.82Å
72	Q	81.8	Confident	74.8	Confident	52 Å²	52	54.1 Å²	54.1	24%	0.243	29%	0.291	C	S	.	.			trans	-82.2	149.8	166.8	-54.4	-180	-42.3	0	0	109.8	P66 K69 P70 Y75	P66-Q72 VanDerWaalsContact O-CD 3.3Å; P66-Q72 PolarHBondContact O-NE2 3.22Å; P66-Q72 PolarHBondContact O-OE1 3.43Å; P66-Q72 VanDerWaalsContact O-OE1 3.09Å; K69-Q72 HydrophobicContact CB-CG 4.24Å; K69-Q72 HydrophobicContact CG-CG 4.47Å; P70-Q72 VanDerWaalsContact C-N 3.33Å; P70-Q72 PolarHBondContact O-N 3.18Å; Q72-Y75 WeakPolarHBondContact CA-OH 3.41Å; Q72-Y75 HydrophobicContact CB-CE1 3.76Å; Q72-Y75 HydrophobicContact CB-CE2 4.29Å; Q72-Y75 WeakPolarHBondContact CB-OH 3.43Å; Q72-Y75 HydrophobicContact CG-CE1 4.29Å; Q72-Y75 PolarHBondContact N-OH 2.96Å; Q72-Y75 WeakPolarHBondContact O-CE2 3.33Å
73	Q	69.7	Low	73.5	Confident	105 Å²	105	54.1 Å²	54.1	49%	0.491	29%	0.291	S	S	.	.	S	Bend	trans	-91.4	-22.5	-179.2	-69	-178.6	-20.4	0	0	113.1
74	D	63.8	Low	72.6	Confident	138 Å²	138	52.7 Å²	52.7	74%	0.738	29%	0.286	S	S	*	.			trans	-109.6	66	-170.8	-62.2	-35	0	0	0	112.9	I76	D74-I76 PolarHBondContact O-N 3.38Å; D74-I76 VanDerWaalsContact O-N 3.14Å
75	Y	63.5	Low	72.2	Confident	18 Å²	18	49.1 Å²	49.1	7%	0.071	27%	0.267	C	S	.	.			trans	-82.5	86.3	172.6	-61.8	-62.9	0	0	0	111	K69 F71 Q72 Y80 E527 R530	K69-Y75 PolarHBondContact O-OH 3.38Å; F71-Y75 PolarHBondContact N-OH 2.88Å; Q72-Y75 WeakPolarHBondContact CA-OH 3.41Å; Q72-Y75 HydrophobicContact CB-CE1 3.76Å; Q72-Y75 HydrophobicContact CB-CE2 4.29Å; Q72-Y75 WeakPolarHBondContact CB-OH 3.43Å; Q72-Y75 HydrophobicContact CG-CE1 4.29Å; Q72-Y75 PolarHBondContact N-OH 2.96Å; Q72-Y75 WeakPolarHBondContact O-CE2 3.33Å; Y75-Y80 WeakPolarHBondContact CD1-OH 3.4Å; Y75-E527 PolarHBondContact OH-OE1 3.35Å; Y75-R530 VanDerWaalsContact CE1-NH2 3.34Å; Y75-R530 VanDerWaalsContact CZ-CZ 3.42Å; Y75-R530 PolarHBondContact OH-NH2 3.35Å
76	I	58.6	Low	71.8	Confident	100 Å²	100	45.8 Å²	45.8	51%	0.513	25%	0.251	S	S	.	.			trans	-77.6	135.6	173	-53.6	167.5	0	0	0	109.5	D74 S78 T79	D74-I76 PolarHBondContact O-N 3.38Å; D74-I76 VanDerWaalsContact O-N 3.14Å; I76-S78 VanDerWaalsContact CG2-OG 3.23Å; I76-S78 WeakPolarHBondContact CG2-OG 3.06Å; I76-S78 PolarHBondContact O-N 3.15Å; I76-T79 VanDerWaalsContact O-CB 3.3Å; I76-T79 WeakPolarHBondContact O-CB 3.4Å; I76-T79 PolarHBondContact O-N 3.23Å; I76-T79 PolarHBondContact O-OG1 3.17Å
77	A	53.1	Low	71.5	Confident	29 Å²	29	43.3 Å²	43.3	24%	0.24	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-53.7	-36.9	178.5	0	0	0	0	0	113.2	T79 Y80	A77-T79 PolarHBondContact O-N 2.88Å; A77-T79 VanDerWaalsContact O-N 3.11Å; A77-Y80 PolarHBondContact O-N 3.37Å
78	S	53.9	Low	70.8	Confident	59 Å²	59	49 Å²	49	41%	0.413	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58	-25.1	176.8	63	0	0	0	0	113.4	I76 Y80	I76-S78 VanDerWaalsContact CG2-OG 3.23Å; I76-S78 WeakPolarHBondContact CG2-OG 3.06Å; I76-S78 PolarHBondContact O-N 3.15Å; S78-Y80 PolarHBondContact O-N 2.9Å
79	T	59.4	Low	69.9	Low	51 Å²	51	50.7 Å²	50.7	31%	0.313	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-73.3	-17.6	180	-36.2	0	0	0	0	112.4	I67 I76 A77	I67-T79 HydrophobicContact CG2-CG2 3.21Å; I76-T79 VanDerWaalsContact O-CB 3.3Å; I76-T79 WeakPolarHBondContact O-CB 3.4Å; I76-T79 PolarHBondContact O-N 3.23Å; I76-T79 PolarHBondContact O-OG1 3.17Å; A77-T79 PolarHBondContact O-N 2.88Å; A77-T79 VanDerWaalsContact O-N 3.11Å
80	Y	62.9	Low	69.2	Low	2 Å²	2	50.3 Å²	50.3	1%	0.008	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-25.4	-178.6	-65.3	-83.3	0	0	0	113.8	I67 Y75 A77 S78 V83 F84 L534 I553	I67-Y80 HydrophobicContact CB-CE1 4.4Å; I67-Y80 HydrophobicContact CD1-CD1 4.2Å; I67-Y80 HydrophobicContact CD1-CE1 4.45Å; Y75-Y80 WeakPolarHBondContact CD1-OH 3.4Å; A77-Y80 PolarHBondContact O-N 3.37Å; S78-Y80 PolarHBondContact O-N 2.9Å; Y80-V83 WeakPolarHBondContact O-CB 3.3Å; Y80-V83 PolarHBondContact O-N 3.06Å; Y80-V83 VanDerWaalsContact O-N 3.11Å; Y80-F84 VanDerWaalsContact O-CD2 3.28Å; Y80-F84 WeakPolarHBondContact O-CD2 3.44Å; Y80-L534 HydrophobicContact CD1-CD2 3.82Å; Y80-L534 HydrophobicContact CE1-CD1 4.14Å; Y80-L534 HydrophobicContact CE1-CD2 3.88Å; Y80-I553 HydrophobicContact CD1-CG2 4.25Å; Y80-I553 HydrophobicContact CD2-CG2 4Å; Y80-I553 HydrophobicContact CE1-CG2 3.98Å; Y80-I553 HydrophobicContact CE2-CG2 3.71Å; Y80-I553 HydrophobicContact CG-CG2 4.26Å
81	S	58.4	Low	68.8	Low	45 Å²	45	57.6 Å²	57.6	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-54.7	-44.8	-171.3	-172.5	0	0	0	0	114.8	V83 F84	S81-V83 PolarHBondContact O-N 2.92Å; S81-V83 VanDerWaalsContact O-N 3.12Å; S81-F84 PolarHBondContact O-N 3.43Å
82	P	57.4	Low	68.8	Low	52 Å²	52	57 Å²	57	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-21.7	179.6	-23.6	35.1	0	0	0	114.9	L89	P82-L89 HydrophobicContact CB-CD1 3.94Å; P82-L89 HydrophobicContact CB-CD2 4.08Å; P82-L89 WeakPolarHBondContact O-CD1 3.44Å
83	V	62.6	Low	69.4	Low	1 Å²	1	55 Å²	55	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-75.1	-29.7	-174.4	-177.9	0	0	0	0	112	L62 I67 Y80 S81 Q537	L62-V83 HydrophobicContact CB-CG1 4.24Å; L62-V83 HydrophobicContact CD1-CG1 3.9Å; L62-V83 HydrophobicContact CD1-CG2 3.85Å; L62-V83 HydrophobicContact CD2-CG1 4.37Å; L62-V83 HydrophobicContact CG-CG1 4.38Å; I67-V83 HydrophobicContact CD1-CG2 3.79Å; Y80-V83 WeakPolarHBondContact O-CB 3.3Å; Y80-V83 PolarHBondContact O-N 3.06Å; Y80-V83 VanDerWaalsContact O-N 3.11Å; S81-V83 PolarHBondContact O-N 2.92Å; S81-V83 VanDerWaalsContact O-N 3.12Å; V83-Q537 HydrophobicContact CG1-CG 4.22Å; V83-Q537 PolarHBondContact O-NE2 3.46Å
84	F	69.6	Low	70.6	Confident	11 Å²	11	50 Å²	50	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-95.8	-18.8	-170.1	-64.2	-80	0	0	0	114.5	Y80 S81 K137 Q537 I545 L548 Y555	Y80-F84 VanDerWaalsContact O-CD2 3.28Å; Y80-F84 WeakPolarHBondContact O-CD2 3.44Å; S81-F84 PolarHBondContact O-N 3.43Å; F84-K137 PolarHBondContact O-NZ 3.11Å; F84-Q537 HydrophobicContact CD1-CG 3.67Å; F84-Q537 HydrophobicContact CE1-CB 4.33Å; F84-Q537 HydrophobicContact CE1-CG 3.31Å; F84-Q537 HydrophobicContact CZ-CG 4.08Å; F84-I545 HydrophobicContact CD1-CD1 3.65Å; F84-I545 HydrophobicContact CD1-CG1 3.33Å; F84-I545 HydrophobicContact CE1-CD1 4.2Å; F84-I545 HydrophobicContact CE1-CG1 3.36Å; F84-I545 HydrophobicContact CG-CD1 4.38Å; F84-I545 HydrophobicContact CG-CG1 4.25Å; F84-I545 HydrophobicContact CZ-CG1 4.32Å; F84-L548 HydrophobicContact CE1-CD1 4.36Å; F84-L548 HydrophobicContact CE2-CD1 4.35Å; F84-L548 HydrophobicContact CZ-CD1 3.53Å; F84-Y555 HydrophobicContact CD2-CG 4.4Å
85	D	76.7	Confident	72.2	Confident	56 Å²	56	43.4 Å²	43.4	30%	0.299	24%	0.24	S	C	.	.			trans	-136.6	58.9	-175.2	-160.3	19.7	0	0	0	113.5	C87 N88 K137	D85-C87 PolarHBondContact O-N 3.23Å; D85-C87 VanDerWaalsContact O-N 3.17Å; D85-N88 PolarHBondContact O-N 3.42Å; D85-N88 VanDerWaalsContact O-N 3.15Å; D85-N88 PolarHBondContact OD2-ND2 2.89Å; D85-K137 IonicContact OD1-NZ 3.42Å; D85-K137 PolarHBondContact OD1-NZ 2.82Å
86	Y	79.7	Confident	73.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.1	-176	70.8	-96.5	0	0	0	114	D54 A57 R58 C61 N88 L89 M92 L94 K137	D54-Y86 WeakPolarHBondContact OD1-CE1 3.5Å; D54-Y86 PolarHBondContact OD1-OH 3.13Å; A57-Y86 HydrophobicContact CB-CD2 4.21Å; A57-Y86 HydrophobicContact CB-CE1 4.32Å; A57-Y86 HydrophobicContact CB-CE2 3.73Å; R58-Y86 HydrophobicContact CB-CD1 4.47Å; R58-Y86 HydrophobicContact CG-CD1 3.6Å; R58-Y86 HydrophobicContact CG-CE1 3.47Å; R58-Y86 VanDerWaalsContact CG-CE1 3.47Å; C61-Y86 VanDerWaalsContact SG-CB 3.58Å; Y86-N88 PolarHBondContact O-N 3.45Å; Y86-L89 VanDerWaalsContact O-CB 3.28Å; Y86-L89 WeakPolarHBondContact O-CB 3.33Å; Y86-L89 PolarHBondContact O-N 2.96Å; Y86-M92 HydrophobicContact CD2-CB 4.08Å; Y86-M92 HydrophobicContact CD2-CG 3.42Å; Y86-M92 VanDerWaalsContact CD2-CG 3.42Å; Y86-M92 HydrophobicContact CE2-CG 3.99Å; Y86-M92 HydrophobicContact CG-CG 4.25Å; Y86-L94 HydrophobicContact CE2-CB 4.31Å; Y86-L94 WeakPolarHBondContact OH-CD2 3.37Å; Y86-K137 HydrophobicContact CE1-CB 4.09Å; Y86-K137 PolarHBondContact OH-O 3.1Å
87	C	78.2	Confident	75.6	Confident	27 Å²	27	37.9 Å²	37.9	18%	0.182	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-65.7	-25.7	179.7	-71.7	0	0	0	0	113	D85 L89 N139	D85-C87 PolarHBondContact O-N 3.23Å; D85-C87 VanDerWaalsContact O-N 3.17Å; C87-L89 VanDerWaalsContact C-N 3.3Å; C87-N139 PolarHBondContact O-ND2 3.04Å; C87-N139 VanDerWaalsContact O-ND2 3.14Å
88	N	72.2	Confident	77.8	Confident	124 Å²	124	36.5 Å²	36.5	66%	0.663	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-86.8	-2.6	173.9	-76.5	-29.1	0	0	0	112.7	D85 Y86	D85-N88 PolarHBondContact O-N 3.42Å; D85-N88 VanDerWaalsContact O-N 3.15Å; D85-N88 PolarHBondContact OD2-ND2 2.89Å; Y86-N88 PolarHBondContact O-N 3.45Å
89	L	71.9	Confident	79.9	Confident	41 Å²	41	34 Å²	34	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-85.6	124.7	170.4	-54.6	179.3	0	0	0	109	C61 P82 Y86 C87 K91 M92	C61-L89 HydrophobicContact CB-CD1 4.41Å; P82-L89 HydrophobicContact CB-CD1 3.94Å; P82-L89 HydrophobicContact CB-CD2 4.08Å; P82-L89 WeakPolarHBondContact O-CD1 3.44Å; Y86-L89 VanDerWaalsContact O-CB 3.28Å; Y86-L89 WeakPolarHBondContact O-CB 3.33Å; Y86-L89 PolarHBondContact O-N 2.96Å; C87-L89 VanDerWaalsContact C-N 3.3Å; L89-K91 HydrophobicContact CB-CB 4.21Å; L89-K91 PolarHBondContact O-N 3.37Å; L89-M92 PolarHBondContact O-N 3.41Å
90	N	76.6	Confident	81.7	Confident	128 Å²	128	31.6 Å²	31.6	68%	0.684	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	33.1	165.8	-68.3	-24.2	0	0	0	112.5	F306	N90-F306 HydrophobicContact CB-CD2 4.35Å; N90-F306 HydrophobicContact CB-CE2 3.87Å
91	K	83.9	Confident	83.2	Confident	158 Å²	158	32 Å²	32	69%	0.687	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-19.9	-177	-66.5	-173.9	175.4	-174.9	0	113.1	P28 F29 L89	P28-K91 CarbonylContact C-O 3.54Å; P28-K91 WeakPolarHBondContact CA-O 3.42Å; F29-K91 PolarHBondContact N-O 2.89Å; L89-K91 HydrophobicContact CB-CB 4.21Å; L89-K91 PolarHBondContact O-N 3.37Å
92	M	90.5	Very high	84.8	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.3	-178.9	172.7	55	65.1	0	0	110.1	F29 I31 A57 S60 Y86 L89	F29-M92 HydrophobicContact CB-CE 3.74Å; F29-M92 HydrophobicContact CB-SD 4.37Å; F29-M92 HydrophobicContact CD1-CE 3.57Å; F29-M92 HydrophobicContact CD1-SD 4.22Å; F29-M92 HydrophobicContact CG-CE 4.01Å; F29-M92 CarbonylContact O-C 3.57Å; F29-M92 WeakPolarHBondContact O-CA 3.27Å; I31-M92 HydrophobicContact CD1-CE 4.14Å; I31-M92 HydrophobicContact CD1-SD 4.11Å; I31-M92 HydrophobicContact CG1-SD 4.17Å; A57-M92 HydrophobicContact CB-CE 4.29Å; A57-M92 HydrophobicContact CB-CG 4.03Å; A57-M92 HydrophobicContact CB-SD 3.91Å; S60-M92 WeakPolarHBondContact OG-CE 3.34Å; Y86-M92 HydrophobicContact CD2-CB 4.08Å; Y86-M92 HydrophobicContact CD2-CG 3.42Å; Y86-M92 VanDerWaalsContact CD2-CG 3.42Å; Y86-M92 HydrophobicContact CE2-CG 3.99Å; Y86-M92 HydrophobicContact CG-CG 4.25Å; L89-M92 PolarHBondContact O-N 3.41Å
93	F	94.4	Very high	86.4	Confident	9 Å²	9	28.5 Å²	28.5	4%	0.039	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.7	171.9	-163.5	-86	0	0	0	109.9	F29 F30 I31 N139 D140 V293 F306 L310	F29-F93 PolarHBondContact O-N 2.74Å; F30-F93 WeakPolarHBondContact CA-O 3.4Å; F30-F93 HydrophobicContact CD2-CB 4.25Å; F30-F93 AromaticContact CD2-CD1 3.65Å; F30-F93 HydrophobicContact CD2-CD1 3.65Å; F30-F93 HydrophobicContact CD2-CG 4.4Å; F30-F93 WeakPolarHBondContact CD2-O 3.42Å; F30-F93 AromaticContact CE2-CD1 3.67Å; F30-F93 HydrophobicContact CE2-CD1 3.67Å; F30-F93 HydrophobicContact CE2-CE1 4.13Å; I31-F93 PolarHBondContact N-O 3.34Å; F93-N139 WeakPolarHBondContact CA-OD1 3.49Å; F93-N139 HydrophobicContact CD1-CB 4.27Å; F93-N139 HydrophobicContact CD2-CB 3.48Å; F93-N139 VanDerWaalsContact CD2-CB 3.48Å; F93-N139 HydrophobicContact CE1-CB 4.28Å; F93-N139 HydrophobicContact CE2-CB 3.49Å; F93-N139 VanDerWaalsContact CE2-CB 3.49Å; F93-N139 HydrophobicContact CG-CB 3.92Å; F93-N139 HydrophobicContact CZ-CB 3.92Å; F93-D140 HydrophobicContact CE1-CB 4.06Å; F93-D140 HydrophobicContact CZ-CB 3.63Å; F93-V293 HydrophobicContact CE1-CB 4.16Å; F93-V293 HydrophobicContact CE1-CG2 4.23Å; F93-V293 HydrophobicContact CZ-CB 4.47Å; F93-F306 HydrophobicContact CD2-CE1 4.09Å; F93-L310 HydrophobicContact CB-CD1 4.18Å; F93-L310 HydrophobicContact CB-CD2 3.6Å; F93-L310 HydrophobicContact CD1-CD1 3.9Å; F93-L310 HydrophobicContact CD2-CD1 3.59Å; F93-L310 HydrophobicContact CD2-CD2 4.25Å; F93-L310 HydrophobicContact CE1-CD1 4.09Å; F93-L310 HydrophobicContact CE2-CD1 3.8Å; F93-L310 HydrophobicContact CG-CD1 3.62Å; F93-L310 HydrophobicContact CG-CD2 4Å; F93-L310 HydrophobicContact CG-CG 4.46Å; F93-L310 HydrophobicContact CZ-CD1 4.02Å
94	L	96.2	Very high	87.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.6	170.3	174.2	57	0	0	0	109.3	I31 A53 D54 A57 Y86 K137 N139	I31-L94 HydrophobicContact CB-CD1 4.02Å; I31-L94 HydrophobicContact CG2-CD1 3.77Å; I31-L94 WeakPolarHBondContact O-CA 3.33Å; I31-L94 WeakPolarHBondContact O-CD1 3.45Å; A53-L94 HydrophobicContact CB-CD1 3.87Å; A53-L94 HydrophobicContact CB-CD2 4.47Å; D54-L94 HydrophobicContact CB-CD2 4.18Å; A57-L94 HydrophobicContact CB-CB 4.42Å; A57-L94 HydrophobicContact CB-CD2 4.31Å; Y86-L94 HydrophobicContact CE2-CB 4.31Å; Y86-L94 WeakPolarHBondContact OH-CD2 3.37Å; L94-K137 WeakPolarHBondContact CD2-O 3.4Å; L94-N139 PolarHBondContact N-OD1 2.87Å; L94-N139 PolarHBondContact O-N 3.39Å
95	S	97.1	Very high	88.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.7	171	70.2	0	0	0	0	111.6	I31 T32 C33 D140	I31-S95 PolarHBondContact O-N 3Å; T32-S95 WeakPolarHBondContact CG2-OG 3.45Å; C33-S95 PolarHBondContact N-O 3.32Å; S95-D140 WeakPolarHBondContact CA-O 3.33Å
96	C	97	Very high	89.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	175.1	165.4	-52.6	0	0	0	0	108.7	C33 D140 F141 I142	C33-C96 HydrophobicContact CB-CB 3.62Å; C33-C96 WeakPolarHBondContact CB-SG 3.34Å; C33-C96 WeakPolarHBondContact SG-CB 3.38Å; C33-C96 CovalentContact SG-SG 2.07Å; C33-C96 PolarHBondContact SG-SG 3.35Å; C96-D140 PolarHBondContact N-O 3.25Å; C96-F141 HydrophobicContact CB-CD2 4.19Å; C96-F141 HydrophobicContact CB-CE2 4.34Å; C96-F141 CarbonylContact O-C 3.58Å; C96-F141 VanDerWaalsContact O-CA 3.24Å; C96-F141 WeakPolarHBondContact O-CA 3.48Å; C96-I142 PolarHBondContact O-N 3.05Å
97	G	97	Very high	90.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168	-179	-176.2	0	0	0	0	0	114.3	F36 I142	F36-G97 PolarHBondContact N-O 3.1Å; G97-I142 CarbonylContact C-O 3.38Å; G97-I142 WeakPolarHBondContact CA-O 3.48Å
98	T	98	Very high	91.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135	-175.4	49	0	0	0	0	112.8	F36 V38 E100 S124 F127 F141 I142 T144	F36-T98 HydrophobicContact CB-CG2 4.46Å; F36-T98 CarbonylContact O-C 3.51Å; F36-T98 WeakPolarHBondContact O-CA 3.44Å; V38-T98 VanDerWaalsContact CG1-CB 3.42Å; V38-T98 HydrophobicContact CG1-CG2 3.56Å; T98-E100 PolarHBondContact OG1-OE1 2.9Å; T98-S124 PolarHBondContact OG1-OG 3.27Å; T98-F127 HydrophobicContact CG2-CB 4.13Å; T98-F127 HydrophobicContact CG2-CD2 3.87Å; T98-F127 HydrophobicContact CG2-CE2 4.47Å; T98-F127 HydrophobicContact CG2-CG 3.99Å; T98-F141 HydrophobicContact CG2-CE1 3.98Å; T98-F141 HydrophobicContact CG2-CZ 3.94Å; T98-I142 PolarHBondContact N-O 2.8Å; T98-T144 PolarHBondContact O-N 3.26Å; T98-T144 VanDerWaalsContact O-N 3.12Å
99	D	97.3	Very high	92.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.9	166.8	177.6	19.5	0	0	0	108.2	I35 F36 Y37 V38 H101 T144 V282 A286	I35-D99 HydrophobicContact CD1-CB 3.84Å; I35-D99 HydrophobicContact CG1-CB 3.92Å; I35-D99 HydrophobicContact CG2-CB 4.32Å; F36-D99 PolarHBondContact O-N 3.28Å; Y37-D99 HydrophobicContact CD2-CB 4Å; Y37-D99 WeakPolarHBondContact CD2-OD2 3.47Å; Y37-D99 WeakPolarHBondContact CE2-OD2 3.34Å; V38-D99 PolarHBondContact N-O 3.43Å; V38-D99 VanDerWaalsContact N-O 3.14Å; D99-H101 PolarHBondContact OD1-N 3.36Å; D99-H101 VanDerWaalsContact OD1-N 3.15Å; D99-T144 PolarHBondContact OD1-OG1 2.65Å; D99-V282 VanDerWaalsContact OD2-CG2 3.24Å; D99-V282 WeakPolarHBondContact OD2-CG2 3.43Å; D99-A286 HydrophobicContact CB-CB 4.16Å
100	E	97.4	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.			trans	-113.8	0.8	-169.7	-63.7	-167.2	178.3	0	0	112.8	V38 T98 V105 C120 S124 R143 T144 T145 W268	V38-E100 HydrophobicContact CG1-CG 4.08Å; V38-E100 HydrophobicContact CG2-CB 4.3Å; V38-E100 HydrophobicContact CG2-CG 4.01Å; T98-E100 PolarHBondContact OG1-OE1 2.9Å; E100-V105 WeakPolarHBondContact O-CG1 3.26Å; E100-C120 HydrophobicContact CB-CB 4.2Å; E100-C120 HydrophobicContact CG-CB 4.14Å; E100-C120 WeakPolarHBondContact OE2-CB 3.24Å; E100-S124 WeakPolarHBondContact OE1-CB 3.43Å; E100-S124 PolarHBondContact OE1-OG 3.01Å; E100-R143 WeakPolarHBondContact OE1-CB 3.48Å; E100-R143 IonicContact OE1-CZ 2.86Å; E100-R143 IonicContact OE1-NE 3.34Å; E100-R143 PolarHBondContact OE1-NE 3.29Å; E100-R143 IonicContact OE1-NH2 3.1Å; E100-R143 PolarHBondContact OE1-NH2 3.11Å; E100-R143 IonicContact OE2-CZ 2.98Å; E100-R143 IonicContact OE2-NE 3.48Å; E100-R143 IonicContact OE2-NH2 3.32Å; E100-R143 PolarHBondContact OE2-NH2 2.6Å; E100-T144 PolarHBondContact N-OG1 3.19Å; E100-T145 HydrophobicContact CB-CG2 3.71Å; E100-T145 WeakPolarHBondContact OE2-CB 3.34Å; E100-T145 WeakPolarHBondContact OE2-CG2 3.29Å; E100-T145 PolarHBondContact OE2-OG1 3.32Å; E100-W268 PolarHBondContact O-NE1 3.37Å
101	H	95.5	Very high	94.2	Very high	11 Å²	11	33.2 Å²	33.2	5%	0.051	16%	0.161	C	C	.	.			trans	-104.8	168.4	-178.5	-64	129.4	0	0	0	112.7	Y37 D99 T144 W268 V282 D285	Y37-H101 WeakPolarHBondContact CE2-O 3.37Å; Y37-H101 PolarHBondContact OH-O 3.42Å; D99-H101 PolarHBondContact OD1-N 3.36Å; D99-H101 VanDerWaalsContact OD1-N 3.15Å; H101-T144 PolarHBondContact CE1-O 3.45Å; H101-T144 PolarHBondContact ND1-OG1 2.99Å; H101-W268 AromaticContact CD2-CE2 3.98Å; H101-V282 WeakPolarHBondContact O-CG2 3.18Å; H101-D285 IonicContact CE1-OD2 3.45Å; H101-D285 IonicContact CG-OD2 3.88Å; H101-D285 IonicContact ND1-OD1 2.72Å; H101-D285 IonicContact ND1-OD2 2.63Å; H101-D285 PolarHBondContact ND1-OD2 2.92Å
102	G	91.9	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	104.7	167.8	176.4	0	0	0	0	0	115.4	K104 V105 R106	G102-K104 PolarHBondContact O-N 3.31Å; G102-V105 PolarHBondContact O-N 2.92Å; G102-R106 PolarHBondContact O-N 3.26Å
103	S	90.4	Very high	95.1	Very high	23 Å²	23	37.1 Å²	37.1	16%	0.161	19%	0.19	C	C	.	.	H	α-helix	trans	-73.7	-30.1	-165.7	-63.6	0	0	0	0	112.4	R107 E180 S266	S103-R107 WeakPolarHBondContact O-CB 3.44Å; S103-R107 PolarHBondContact O-N 2.93Å; S103-E180 PolarHBondContact N-OE1 2.83Å; S103-S266 WeakPolarHBondContact OG-CB 3.45Å; S103-S266 PolarHBondContact OG-OG 3.24Å
104	K	90.9	Very high	95.2	Very high	46 Å²	46	38.7 Å²	38.7	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-73	-35.6	177.2	-63	165.2	177.5	171.6	0	112.4	Y37 N39 G102 R107 A108 V177 S178 E180	Y37-K104 HydrophobicContact CD1-CD 4.35Å; Y37-K104 HydrophobicContact CE1-CB 3.64Å; Y37-K104 HydrophobicContact CE1-CD 3.49Å; Y37-K104 VanDerWaalsContact CE1-CD 3.49Å; Y37-K104 HydrophobicContact CE1-CG 4.26Å; Y37-K104 WeakPolarHBondContact OH-CB 3.41Å; N39-K104 HydrophobicContact CB-CB 4.17Å; G102-K104 PolarHBondContact O-N 3.31Å; K104-R107 PolarHBondContact O-N 3.34Å; K104-A108 WeakPolarHBondContact O-CB 3.16Å; K104-A108 PolarHBondContact O-N 2.75Å; K104-V177 WeakPolarHBondContact CE-O 3.35Å; K104-S178 WeakPolarHBondContact CE-O 3.21Å; K104-S178 PolarHBondContact NZ-O 2.73Å; K104-E180 HydrophobicContact CD-CG 4.26Å; K104-E180 PolarHBondContact N-OE1 3.06Å
105	V	94.6	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-47.5	172.4	173.1	0	0	0	0	109.5	Y37 V38 N39 E100 G102 R107 A108 A109 Y119 C120	Y37-V105 HydrophobicContact CD2-CG2 4.4Å; Y37-V105 HydrophobicContact CE1-CG2 4.17Å; Y37-V105 HydrophobicContact CE2-CG2 3.76Å; Y37-V105 PolarHBondContact OH-N 2.86Å; V38-V105 HydrophobicContact CG2-CG1 4.15Å; V38-V105 HydrophobicContact CG2-CG2 3.79Å; N39-V105 HydrophobicContact CB-CG2 4.2Å; E100-V105 WeakPolarHBondContact O-CG1 3.26Å; G102-V105 PolarHBondContact O-N 2.92Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 2.85Å; V105-A108 PolarHBondContact O-N 2.96Å; V105-A108 VanDerWaalsContact O-N 3.17Å; V105-A109 WeakPolarHBondContact O-CB 3.49Å; V105-A109 PolarHBondContact O-N 3.1Å; V105-Y119 HydrophobicContact CG1-CD1 4.18Å; V105-C120 WeakPolarHBondContact CG1-SG 3.33Å
106	R	93.8	Very high	95.2	Very high	81 Å²	81	43.4 Å²	43.4	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-54.4	-49	174.2	-174.2	-176.4	-175.8	176.7	16.7	111.9	G102 A108 A109 T110 P116 D267 W268	G102-R106 PolarHBondContact O-N 3.26Å; R106-A108 PolarHBondContact O-N 3.42Å; R106-A109 WeakPolarHBondContact O-CB 3.1Å; R106-A109 PolarHBondContact O-N 3.33Å; R106-T110 PolarHBondContact O-N 2.86Å; R106-T110 PolarHBondContact O-OG1 3.21Å; R106-P116 HydrophobicContact CB-CG 4.43Å; R106-P116 HydrophobicContact CG-CG 4.18Å; R106-D267 IonicContact CZ-OD1 3.6Å; R106-D267 IonicContact CZ-OD2 3.46Å; R106-D267 IonicContact NE-OD1 2.81Å; R106-D267 PolarHBondContact NE-OD1 3.25Å; R106-D267 IonicContact NH1-OD1 3.54Å; R106-D267 PolarHBondContact NH1-OD1 3.07Å; R106-D267 VanDerWaalsContact NH1-OD1 3.1Å; R106-D267 IonicContact NH1-OD2 3.99Å; R106-D267 VanDerWaalsContact NH2-CG 3.27Å; R106-D267 IonicContact NH2-OD1 3.64Å; R106-D267 PolarHBondContact NH2-OD1 3.23Å; R106-D267 IonicContact NH2-OD2 3.34Å; R106-D267 PolarHBondContact NH2-OD2 3.33Å; R106-W268 HydrophobicContact CB-CB 4.18Å; R106-W268 HydrophobicContact CG-CB 4.47Å
107	R	92.6	Very high	95.2	Very high	144 Å²	144	46.7 Å²	46.7	54%	0.543	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-43.8	178	-173.9	-178.8	-64	153.6	-0	112.1	S103 K104 V105 A109 T110 V111	S103-R107 WeakPolarHBondContact O-CB 3.44Å; S103-R107 PolarHBondContact O-N 2.93Å; K104-R107 PolarHBondContact O-N 3.34Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 2.85Å; R107-A109 VanDerWaalsContact C-N 3.33Å; R107-T110 PolarHBondContact O-N 3.19Å; R107-V111 WeakPolarHBondContact O-CG2 3.46Å; R107-V111 PolarHBondContact O-N 2.77Å
108	A	93.8	Very high	95.3	Very high	16 Å²	16	51.8 Å²	51.8	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-40.3	177.2	0	0	0	0	0	111.6	N39 K104 V105 R106 V111 N112 Y119	N39-A108 HydrophobicContact CB-CB 4.33Å; K104-A108 WeakPolarHBondContact O-CB 3.16Å; K104-A108 PolarHBondContact O-N 2.75Å; V105-A108 PolarHBondContact O-N 2.96Å; V105-A108 VanDerWaalsContact O-N 3.17Å; R106-A108 PolarHBondContact O-N 3.42Å; A108-V111 PolarHBondContact O-N 2.68Å; A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 VanDerWaalsContact O-N 3.13Å; A108-N112 PolarHBondContact O-ND2 2.84Å; A108-Y119 HydrophobicContact CB-CE1 3.85Å; A108-Y119 HydrophobicContact CB-CE2 4.19Å
109	A	96.2	Very high	95.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-47.4	174.6	0	0	0	0	0	111.7	V105 R106 R107 V111 N112 N113 L114 P116 Y119	V105-A109 WeakPolarHBondContact O-CB 3.49Å; V105-A109 PolarHBondContact O-N 3.1Å; R106-A109 WeakPolarHBondContact O-CB 3.1Å; R106-A109 PolarHBondContact O-N 3.33Å; R107-A109 VanDerWaalsContact C-N 3.33Å; A109-V111 PolarHBondContact O-N 3.24Å; A109-N112 CarbonylContact O-C 3.29Å; A109-N112 PolarHBondContact O-N 3.17Å; A109-N112 VanDerWaalsContact O-N 3.08Å; A109-N113 PolarHBondContact O-N 3.26Å; A109-N113 VanDerWaalsContact O-N 3.07Å; A109-L114 CarbonylContact C-O 3.46Å; A109-L114 WeakPolarHBondContact CB-O 3.46Å; A109-L114 PolarHBondContact O-N 3.06Å; A109-P116 HydrophobicContact CB-CB 4.32Å; A109-P116 HydrophobicContact CB-CG 4.2Å; A109-Y119 HydrophobicContact CB-CD1 4.26Å; A109-Y119 HydrophobicContact CB-CD2 4.42Å; A109-Y119 HydrophobicContact CB-CG 3.82Å
110	T	95.7	Very high	95.3	Very high	91 Å²	91	51.9 Å²	51.9	56%	0.558	27%	0.265	S	S	*	.	H	α-helix	trans	-58.9	-44.7	175.9	-52.9	0	0	0	0	112.3	R106 R107 N112 N113	R106-T110 PolarHBondContact O-N 2.86Å; R106-T110 PolarHBondContact O-OG1 3.21Å; R107-T110 PolarHBondContact O-N 3.19Å; T110-N112 PolarHBondContact O-N 3Å; T110-N113 PolarHBondContact O-N 3.39Å
111	V	95	Very high	95.3	Very high	109 Å²	109	55.5 Å²	55.5	66%	0.661	29%	0.285	S	S	*	.	H	α-helix	trans	-61.6	-30.7	176.9	168.7	0	0	0	0	112	R107 A108 A109	R107-V111 WeakPolarHBondContact O-CG2 3.46Å; R107-V111 PolarHBondContact O-N 2.77Å; A108-V111 PolarHBondContact O-N 2.68Å; A109-V111 PolarHBondContact O-N 3.24Å
112	N	95.3	Very high	95.4	Very high	91 Å²	91	60.1 Å²	60.1	49%	0.487	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.1	176.2	-72.4	-86.9	0	0	0	113.5	A108 A109 T110 L114 Y119	A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 VanDerWaalsContact O-N 3.13Å; A108-N112 PolarHBondContact O-ND2 2.84Å; A109-N112 CarbonylContact O-C 3.29Å; A109-N112 PolarHBondContact O-N 3.17Å; A109-N112 VanDerWaalsContact O-N 3.08Å; T110-N112 PolarHBondContact O-N 3Å; N112-L114 VanDerWaalsContact C-N 3.3Å; N112-L114 HydrophobicContact CB-CD1 4.24Å; N112-L114 HydrophobicContact CB-CG 4.49Å; N112-L114 PolarHBondContact O-N 2.91Å; N112-Y119 HydrophobicContact CB-CD2 4.22Å; N112-Y119 HydrophobicContact CB-CE2 4.43Å
113	N	97.3	Very high	95.6	Very high	151 Å²	151	61.1 Å²	61.1	81%	0.807	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	39.7	-176.5	-54.6	-64.3	0	0	0	113.8	A109 T110	A109-N113 PolarHBondContact O-N 3.26Å; A109-N113 VanDerWaalsContact O-N 3.07Å; T110-N113 PolarHBondContact O-N 3.39Å
114	L	96.8	Very high	95.9	Very high	42 Å²	42	60 Å²	60	22%	0.22	30%	0.304	C	S	.	.			trans	-122.4	152.3	179.2	-67.3	171.2	0	0	0	111	A109 N112 Q118 Y119	A109-L114 CarbonylContact C-O 3.46Å; A109-L114 WeakPolarHBondContact CB-O 3.46Å; A109-L114 PolarHBondContact O-N 3.06Å; N112-L114 VanDerWaalsContact C-N 3.3Å; N112-L114 HydrophobicContact CB-CD1 4.24Å; N112-L114 HydrophobicContact CB-CG 4.49Å; N112-L114 PolarHBondContact O-N 2.91Å; L114-Q118 HydrophobicContact CB-CB 4.43Å; L114-Q118 HydrophobicContact CD2-CB 4.43Å; L114-Y119 HydrophobicContact CD1-CD2 4.26Å
115	D	96.2	Very high	96.2	Very high	83 Å²	83	60.3 Å²	60.3	44%	0.444	31%	0.31	S	S	.	.			trans	-63.8	145.6	161.3	175.7	80.9	0	0	0	109.9	L117 Q118 Y119	D115-L117 VanDerWaalsContact C-N 3.29Å; D115-L117 PolarHBondContact O-N 2.84Å; D115-L117 WeakPolarHBondContact OD2-CB 3.19Å; D115-L117 PolarHBondContact OD2-N 2.81Å; D115-Q118 HydrophobicContact CB-CB 4.33Å; D115-Q118 HydrophobicContact CB-CG 4.1Å; D115-Q118 WeakPolarHBondContact O-CB 3.42Å; D115-Q118 PolarHBondContact O-N 2.91Å; D115-Y119 PolarHBondContact O-N 3.41Å
116	P	97	Very high	96.2	Very high	15 Å²	15	62.9 Å²	62.9	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-53.2	-40.2	-179.8	-29.6	37.7	0	0	0	114.7	R106 A109 Y119 C120 W268	R106-P116 HydrophobicContact CB-CG 4.43Å; R106-P116 HydrophobicContact CG-CG 4.18Å; A109-P116 HydrophobicContact CB-CB 4.32Å; A109-P116 HydrophobicContact CB-CG 4.2Å; P116-Y119 PolarHBondContact O-N 3.44Å; P116-C120 WeakPolarHBondContact O-CB 3.32Å; P116-C120 PolarHBondContact O-N 2.79Å; P116-C120 PolarHBondContact O-SG 3.3Å; P116-W268 HydrophobicContact CB-CD2 3.25Å; P116-W268 HydrophobicContact CB-CE3 3.56Å; P116-W268 HydrophobicContact CB-CG 3.72Å; P116-W268 HydrophobicContact CB-CH2 4.01Å; P116-W268 HydrophobicContact CB-CZ2 3.71Å; P116-W268 HydrophobicContact CB-CZ3 3.92Å; P116-W268 HydrophobicContact CG-CB 4.46Å; P116-W268 HydrophobicContact CG-CD2 3.92Å; P116-W268 HydrophobicContact CG-CE3 4.07Å; P116-W268 HydrophobicContact CG-CG 4.07Å
117	L	97.4	Very high	96.4	Very high	71 Å²	71	59.1 Å²	59.1	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-40.4	177.9	-175.9	58.3	0	0	0	111.3	D115 Y119 C120 N121 T145 W268	D115-L117 VanDerWaalsContact C-N 3.29Å; D115-L117 PolarHBondContact O-N 2.84Å; D115-L117 WeakPolarHBondContact OD2-CB 3.19Å; D115-L117 PolarHBondContact OD2-N 2.81Å; L117-Y119 VanDerWaalsContact C-N 3.35Å; L117-C120 PolarHBondContact O-N 2.87Å; L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 3.42Å; L117-N121 PolarHBondContact O-ND2 2.74Å; L117-T145 HydrophobicContact CD1-CG2 3.93Å; L117-W268 HydrophobicContact CB-CH2 3.67Å; L117-W268 HydrophobicContact CB-CZ3 4.21Å; L117-W268 HydrophobicContact CD1-CH2 4.26Å
118	Q	97.8	Very high	96.5	Very high	107 Å²	107	55.1 Å²	55.1	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-42	176.5	-67.3	178.7	-37.8	0	0	111.4	L114 D115 N121 Q122	L114-Q118 HydrophobicContact CB-CB 4.43Å; L114-Q118 HydrophobicContact CD2-CB 4.43Å; D115-Q118 HydrophobicContact CB-CB 4.33Å; D115-Q118 HydrophobicContact CB-CG 4.1Å; D115-Q118 WeakPolarHBondContact O-CB 3.42Å; D115-Q118 PolarHBondContact O-N 2.91Å; Q118-N121 PolarHBondContact O-N 3.01Å; Q118-Q122 WeakPolarHBondContact O-CG 3.16Å; Q118-Q122 PolarHBondContact O-N 3.31Å
119	Y	97.9	Very high	96.5	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-46.5	174.8	176.8	-94.1	0	0	0	111.4	V38 V105 A108 A109 N112 L114 D115 P116 L117 N121 Q122 M123	V38-Y119 WeakPolarHBondContact O-CE1 3.45Å; V38-Y119 PolarHBondContact O-OH 3Å; V105-Y119 HydrophobicContact CG1-CD1 4.18Å; A108-Y119 HydrophobicContact CB-CE1 3.85Å; A108-Y119 HydrophobicContact CB-CE2 4.19Å; A109-Y119 HydrophobicContact CB-CD1 4.26Å; A109-Y119 HydrophobicContact CB-CD2 4.42Å; A109-Y119 HydrophobicContact CB-CG 3.82Å; N112-Y119 HydrophobicContact CB-CD2 4.22Å; N112-Y119 HydrophobicContact CB-CE2 4.43Å; L114-Y119 HydrophobicContact CD1-CD2 4.26Å; D115-Y119 PolarHBondContact O-N 3.41Å; P116-Y119 PolarHBondContact O-N 3.44Å; L117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-N121 VanDerWaalsContact C-N 3.34Å; Y119-N121 PolarHBondContact O-N 3.44Å; Y119-Q122 WeakPolarHBondContact O-CB 3.47Å; Y119-Q122 PolarHBondContact O-N 2.86Å; Y119-M123 HydrophobicContact CD1-CG 4.09Å; Y119-M123 HydrophobicContact CD2-CG 4.36Å; Y119-M123 HydrophobicContact CE1-CG 3.57Å; Y119-M123 HydrophobicContact CE2-CG 3.88Å; Y119-M123 HydrophobicContact CE2-SD 4.25Å; Y119-M123 HydrophobicContact CG-CG 4.45Å; Y119-M123 VanDerWaalsContact CZ-CG 3.42Å; Y119-M123 WeakPolarHBondContact O-CG 3.5Å; Y119-M123 PolarHBondContact O-N 3.12Å
120	C	98.1	Very high	96.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-41.8	175.6	-67.5	0	0	0	0	112.5	V38 E100 V105 P116 L117 Q122 M123 S124	V38-C120 HydrophobicContact CG2-CB 4.5Å; E100-C120 HydrophobicContact CB-CB 4.2Å; E100-C120 HydrophobicContact CG-CB 4.14Å; E100-C120 WeakPolarHBondContact OE2-CB 3.24Å; V105-C120 WeakPolarHBondContact CG1-SG 3.33Å; P116-C120 WeakPolarHBondContact O-CB 3.32Å; P116-C120 PolarHBondContact O-N 2.79Å; P116-C120 PolarHBondContact O-SG 3.3Å; L117-C120 PolarHBondContact O-N 2.87Å; C120-Q122 PolarHBondContact O-N 3.01Å; C120-M123 PolarHBondContact O-N 3.14Å; C120-M123 VanDerWaalsContact O-N 3.12Å; C120-S124 WeakPolarHBondContact O-CB 2.99Å; C120-S124 PolarHBondContact O-N 3.15Å
121	N	98	Very high	96.2	Very high	76 Å²	76	53 Å²	53	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-22.8	175.1	-72.8	-22.9	0	0	0	113.2	L117 Q118 Y119 P125 R143	L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 3.42Å; L117-N121 PolarHBondContact O-ND2 2.74Å; Q118-N121 PolarHBondContact O-N 3.01Å; Y119-N121 VanDerWaalsContact C-N 3.34Å; Y119-N121 PolarHBondContact O-N 3.44Å; N121-P125 WeakPolarHBondContact O-CD 3.19Å; N121-P125 WeakPolarHBondContact O-CG 3.27Å; N121-R143 PolarHBondContact OD1-NH1 3.2Å; N121-R143 PolarHBondContact OD1-NH2 2.99Å
122	Q	97.2	Very high	95.9	Very high	108 Å²	108	53.2 Å²	53.2	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-87	-34.7	171.9	-68.2	-178.3	15.5	0	0	112.7	Q118 Y119 C120	Q118-Q122 WeakPolarHBondContact O-CG 3.16Å; Q118-Q122 PolarHBondContact O-N 3.31Å; Y119-Q122 WeakPolarHBondContact O-CB 3.47Å; Y119-Q122 PolarHBondContact O-N 2.86Å; C120-Q122 PolarHBondContact O-N 3.01Å
123	M	96.1	Very high	95.6	Very high	21 Å²	21	49.9 Å²	49.9	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-85.1	-42.3	-173.8	-68.3	-58.1	95.3	0	0	113.9	V38 K41 Y119 C120 L126 F127	V38-M123 HydrophobicContact CB-CB 4Å; K41-M123 HydrophobicContact CG-SD 4.48Å; Y119-M123 HydrophobicContact CD1-CG 4.09Å; Y119-M123 HydrophobicContact CD2-CG 4.36Å; Y119-M123 HydrophobicContact CE1-CG 3.57Å; Y119-M123 HydrophobicContact CE2-CG 3.88Å; Y119-M123 HydrophobicContact CE2-SD 4.25Å; Y119-M123 HydrophobicContact CG-CG 4.45Å; Y119-M123 VanDerWaalsContact CZ-CG 3.42Å; Y119-M123 WeakPolarHBondContact O-CG 3.5Å; Y119-M123 PolarHBondContact O-N 3.12Å; C120-M123 PolarHBondContact O-N 3.14Å; C120-M123 VanDerWaalsContact O-N 3.12Å; M123-L126 HydrophobicContact CE-CD1 3.85Å; M123-L126 VanDerWaalsContact O-CB 3.27Å; M123-L126 WeakPolarHBondContact O-CB 3.46Å; M123-L126 PolarHBondContact O-N 3.21Å; M123-L126 HydrophobicContact SD-CD1 4.06Å; M123-F127 WeakPolarHBondContact O-CD2 3.43Å
124	S	97.1	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-43.7	-175.9	-173.2	0	0	0	0	113.3	T98 E100 C120 L126 F127 E128 R143	T98-S124 PolarHBondContact OG1-OG 3.27Å; E100-S124 WeakPolarHBondContact OE1-CB 3.43Å; E100-S124 PolarHBondContact OE1-OG 3.01Å; C120-S124 WeakPolarHBondContact O-CB 2.99Å; C120-S124 PolarHBondContact O-N 3.15Å; S124-L126 PolarHBondContact O-N 2.89Å; S124-F127 WeakPolarHBondContact O-CB 3.27Å; S124-F127 PolarHBondContact O-N 3.12Å; S124-E128 PolarHBondContact O-N 3.16Å; S124-R143 WeakPolarHBondContact OG-CD 3.48Å; S124-R143 WeakPolarHBondContact OG-CG 3.33Å; S124-R143 PolarHBondContact OG-NE 3.2Å
125	P	96.3	Very high	94.9	Very high	52 Å²	52	42.9 Å²	42.9	34%	0.338	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-21.5	175.9	-25.9	36.5	0	0	0	114.8	N121 F127 E128 T129	N121-P125 WeakPolarHBondContact O-CD 3.19Å; N121-P125 WeakPolarHBondContact O-CG 3.27Å; P125-F127 VanDerWaalsContact C-N 3.3Å; P125-E128 PolarHBondContact O-N 3.03Å; P125-T129 WeakPolarHBondContact O-CB 3.49Å; P125-T129 PolarHBondContact O-N 3.3Å; P125-T129 PolarHBondContact O-OG1 2.77Å
126	L	95.8	Very high	94.7	Very high	54 Å²	54	39.1 Å²	39.1	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-68.9	-31.1	174.9	-57.5	179	0	0	0	111.7	K41 P42 M123 S124 T129 L130	K41-L126 HydrophobicContact CD-CD1 4.37Å; K41-L126 HydrophobicContact CG-CD1 3.88Å; P42-L126 HydrophobicContact CG-CB 4.19Å; M123-L126 HydrophobicContact CE-CD1 3.85Å; M123-L126 VanDerWaalsContact O-CB 3.27Å; M123-L126 WeakPolarHBondContact O-CB 3.46Å; M123-L126 PolarHBondContact O-N 3.21Å; M123-L126 HydrophobicContact SD-CD1 4.06Å; S124-L126 PolarHBondContact O-N 2.89Å; L126-T129 PolarHBondContact O-N 2.91Å; L126-L130 PolarHBondContact O-N 3.03Å
127	F	96.2	Very high	94.5	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-74.6	-36.3	174.8	-69.2	-93.2	0	0	0	111.7	F36 V38 P42 T98 M123 S124 P125 T129 L130 C131 F141	F36-F127 HydrophobicContact CB-CD1 3.7Å; F36-F127 HydrophobicContact CB-CE1 3.51Å; F36-F127 HydrophobicContact CB-CZ 4.18Å; F36-F127 AromaticContact CD2-CD1 3.73Å; F36-F127 HydrophobicContact CD2-CD1 3.73Å; F36-F127 HydrophobicContact CD2-CE1 4.26Å; F36-F127 AromaticContact CG-CD1 3.91Å; F36-F127 HydrophobicContact CG-CD1 3.91Å; F36-F127 AromaticContact CG-CE1 3.96Å; F36-F127 HydrophobicContact CG-CE1 3.96Å; V38-F127 HydrophobicContact CG1-CE2 4.14Å; P42-F127 HydrophobicContact CB-CD1 3.98Å; P42-F127 HydrophobicContact CB-CE1 3.89Å; P42-F127 HydrophobicContact CB-CZ 4.37Å; T98-F127 HydrophobicContact CG2-CB 4.13Å; T98-F127 HydrophobicContact CG2-CD2 3.87Å; T98-F127 HydrophobicContact CG2-CE2 4.47Å; T98-F127 HydrophobicContact CG2-CG 3.99Å; M123-F127 WeakPolarHBondContact O-CD2 3.43Å; S124-F127 WeakPolarHBondContact O-CB 3.27Å; S124-F127 PolarHBondContact O-N 3.12Å; P125-F127 VanDerWaalsContact C-N 3.3Å; F127-T129 VanDerWaalsContact C-N 3.35Å; F127-L130 WeakPolarHBondContact O-CB 3.05Å; F127-L130 PolarHBondContact O-N 2.89Å; F127-C131 PolarHBondContact O-N 3.28Å; F127-C131 PolarHBondContact O-SG 2.74Å; F127-F141 HydrophobicContact CB-CE2 4.41Å; F127-F141 HydrophobicContact CB-CZ 3.77Å
128	E	94.9	Very high	94.3	Very high	60 Å²	60	40.9 Å²	40.9	28%	0.28	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-42.7	168.9	-67.5	-179.7	-109.5	0	0	111.2	S124 P125 L130 C131 H132 F141	S124-E128 PolarHBondContact O-N 3.16Å; P125-E128 PolarHBondContact O-N 3.03Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.23Å; E128-C131 WeakPolarHBondContact O-CB 3.34Å; E128-C131 PolarHBondContact O-N 3.34Å; E128-C131 VanDerWaalsContact O-N 3.08Å; E128-H132 PolarHBondContact O-N 3.16Å; E128-F141 HydrophobicContact CG-CD1 3.8Å; E128-F141 HydrophobicContact CG-CD2 3.95Å; E128-F141 HydrophobicContact CG-CE1 3.82Å; E128-F141 HydrophobicContact CG-CE2 3.97Å; E128-F141 HydrophobicContact CG-CG 3.87Å; E128-F141 HydrophobicContact CG-CZ 3.91Å
129	T	93.6	Very high	94.1	Very high	63 Å²	63	38.1 Å²	38.1	39%	0.387	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-39.3	175.8	-54.8	0	0	0	0	111.2	P125 L126 F127 H132 A133 I369	P125-T129 WeakPolarHBondContact O-CB 3.49Å; P125-T129 PolarHBondContact O-N 3.3Å; P125-T129 PolarHBondContact O-OG1 2.77Å; L126-T129 PolarHBondContact O-N 2.91Å; F127-T129 VanDerWaalsContact C-N 3.35Å; T129-H132 PolarHBondContact O-N 3.33Å; T129-A133 VanDerWaalsContact O-CB 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.38Å; T129-A133 PolarHBondContact O-N 2.72Å; T129-I369 HydrophobicContact CG2-CD1 3.59Å
130	L	93.3	Very high	94	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.2	-49.8	170.8	164.5	61.2	0	0	0	111.2	P42 H46 A47 L126 F127 E128 H132 A133 T134 P368	P42-L130 HydrophobicContact CB-CB 4.38Å; P42-L130 HydrophobicContact CB-CD2 3.73Å; P42-L130 HydrophobicContact CG-CB 4.36Å; H46-L130 HydrophobicContact CB-CD2 3.83Å; A47-L130 HydrophobicContact CB-CD1 3.75Å; A47-L130 HydrophobicContact CB-CD2 4.41Å; L126-L130 PolarHBondContact O-N 3.03Å; F127-L130 WeakPolarHBondContact O-CB 3.05Å; F127-L130 PolarHBondContact O-N 2.89Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.23Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 3.16Å; L130-A133 PolarHBondContact O-N 3.44Å; L130-T134 HydrophobicContact CD1-CG2 3.78Å; L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.43Å; L130-T134 PolarHBondContact O-OG1 3.17Å; L130-P368 HydrophobicContact CD1-CB 3.78Å; L130-P368 HydrophobicContact CD1-CG 3.43Å; L130-P368 VanDerWaalsContact CD1-CG 3.43Å; L130-P368 HydrophobicContact CG-CG 4.45Å
131	C	93.2	Very high	94	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-46	177.4	-69.3	0	0	0	0	111.5	F127 E128 T134 H135 V136 Y138	F127-C131 PolarHBondContact O-N 3.28Å; F127-C131 PolarHBondContact O-SG 2.74Å; E128-C131 WeakPolarHBondContact O-CB 3.34Å; E128-C131 PolarHBondContact O-N 3.34Å; E128-C131 VanDerWaalsContact O-N 3.08Å; C131-T134 CarbonylContact O-C 3.57Å; C131-T134 PolarHBondContact O-N 2.94Å; C131-T134 PolarHBondContact O-OG1 2.79Å; C131-H135 PolarHBondContact O-N 3.47Å; C131-V136 HydrophobicContact CB-CB 3.98Å; C131-V136 HydrophobicContact CB-CG1 4.12Å; C131-V136 PolarHBondContact O-N 3.32Å; C131-Y138 HydrophobicContact CB-CD1 4.04Å; C131-Y138 HydrophobicContact CB-CE1 3.66Å
132	H	89.2	Confident	94	Very high	113 Å²	113	36.1 Å²	36.1	52%	0.523	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-48.5	176.8	-62	160.3	0	0	0	112.7	E128 T129 L130 T134 H135	E128-H132 PolarHBondContact O-N 3.16Å; T129-H132 PolarHBondContact O-N 3.33Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 3.16Å; H132-T134 PolarHBondContact O-N 3.42Å; H132-H135 PolarHBondContact O-CD2 3.49Å; H132-H135 VanDerWaalsContact O-CD2 3.25Å; H132-H135 PolarHBondContact O-N 3.49Å
133	A	87.8	Confident	94	Very high	20 Å²	20	33.2 Å²	33.2	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-30.4	179.9	0	0	0	0	0	112.6	T129 L130 I369 Q372	T129-A133 VanDerWaalsContact O-CB 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.38Å; T129-A133 PolarHBondContact O-N 2.72Å; L130-A133 PolarHBondContact O-N 3.44Å; A133-I369 HydrophobicContact CB-CG1 3.9Å; A133-Q372 PolarHBondContact O-NE2 3.04Å; A133-Q372 PolarHBondContact O-OE1 3.06Å
134	T	90.5	Very high	94.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	7.3	178.3	55.9	0	0	0	0	113.7	L130 C131 H132 V136 R394	L130-T134 HydrophobicContact CD1-CG2 3.78Å; L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.43Å; L130-T134 PolarHBondContact O-OG1 3.17Å; C131-T134 CarbonylContact O-C 3.57Å; C131-T134 PolarHBondContact O-N 2.94Å; C131-T134 PolarHBondContact O-OG1 2.79Å; H132-T134 PolarHBondContact O-N 3.42Å; T134-V136 PolarHBondContact O-N 3.29Å; T134-R394 WeakPolarHBondContact O-CD 3.31Å; T134-R394 PolarHBondContact O-NH1 2.83Å
135	H	89.6	Confident	94.2	Very high	46 Å²	46	33.7 Å²	33.7	21%	0.213	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30.6	-179.9	-59.1	158.6	0	0	0	115.5	R58 C131 H132 K137 P387 S390 D391 R394 P541 N542	R58-H135 PolarHBondContact NH2-O 3.44Å; C131-H135 PolarHBondContact O-N 3.47Å; H132-H135 PolarHBondContact O-CD2 3.49Å; H132-H135 VanDerWaalsContact O-CD2 3.25Å; H132-H135 PolarHBondContact O-N 3.49Å; H135-K137 PolarHBondContact O-N 3.22Å; H135-P387 PolarHBondContact CE1-O 3.26Å; H135-P387 VanDerWaalsContact CE1-O 3.24Å; H135-S390 WeakPolarHBondContact CE1-CB 3.32Å; H135-S390 PolarHBondContact CE1-OG 3.36Å; H135-S390 PolarHBondContact NE2-OG 3.39Å; H135-D391 IonicContact CE1-OD1 2.68Å; H135-D391 IonicContact CG-OD1 3.97Å; H135-D391 IonicContact ND1-OD1 4Å; H135-D391 PolarHBondContact ND1-OD1 2.62Å; H135-R394 VanDerWaalsContact C-NH1 3.31Å; H135-R394 PolarHBondContact O-NH1 2.81Å; H135-P541 HydrophobicContact CB-CG 4.38Å; H135-N542 PolarHBondContact CE1-ND2 3.23Å; H135-N542 PolarHBondContact ND1-ND2 3.32Å
136	V	92.1	Very high	94.2	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.024	17%	0.167	C	C	.	.			trans	-76.2	115	168.1	167.5	0	0	0	0	107.5	T50 D54 C131 T134 Y138	T50-V136 WeakPolarHBondContact O-CG2 3.32Å; D54-V136 HydrophobicContact CB-CB 4.17Å; D54-V136 HydrophobicContact CB-CG1 3.97Å; D54-V136 HydrophobicContact CB-CG2 3.89Å; C131-V136 HydrophobicContact CB-CB 3.98Å; C131-V136 HydrophobicContact CB-CG1 4.12Å; C131-V136 PolarHBondContact O-N 3.32Å; T134-V136 PolarHBondContact O-N 3.29Å; V136-Y138 HydrophobicContact CG1-CD1 4.49Å
137	K	91.7	Very high	94.4	Very high	75 Å²	75	36.1 Å²	36.1	33%	0.326	18%	0.183	S	C	.	.			trans	-84.8	156.4	166	-68.9	-174.7	169.5	-178	0	108.3	D54 F84 D85 Y86 L94 H135	D54-K137 PolarHBondContact OD1-N 2.96Å; D54-K137 VanDerWaalsContact OD1-N 3.08Å; F84-K137 PolarHBondContact O-NZ 3.11Å; D85-K137 IonicContact OD1-NZ 3.42Å; D85-K137 PolarHBondContact OD1-NZ 2.82Å; Y86-K137 HydrophobicContact CE1-CB 4.09Å; Y86-K137 PolarHBondContact OH-O 3.1Å; L94-K137 WeakPolarHBondContact CD2-O 3.4Å; H135-K137 PolarHBondContact O-N 3.22Å
138	Y	93.9	Very high	94.4	Very high	48 Å²	48	39.5 Å²	39.5	19%	0.188	20%	0.196	C	C	.	.			trans	-154.5	156.5	174.4	52.6	-97.7	0	0	0	108.7	C131 V136 F141	C131-Y138 HydrophobicContact CB-CD1 4.04Å; C131-Y138 HydrophobicContact CB-CE1 3.66Å; V136-Y138 HydrophobicContact CG1-CD1 4.49Å; Y138-F141 HydrophobicContact CD2-CB 3.95Å; Y138-F141 HydrophobicContact CE1-CD2 4.22Å; Y138-F141 HydrophobicContact CE2-CB 3.51Å; Y138-F141 HydrophobicContact CE2-CD2 4.27Å; Y138-F141 HydrophobicContact CE2-CG 4.33Å
139	N	94.4	Very high	94.6	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.262	18%	0.182	S	C	.	.	S	Bend	trans	-91.4	-29.3	179.3	-63.9	83.3	0	0	0	112.2	C87 F93 L94	C87-N139 PolarHBondContact O-ND2 3.04Å; C87-N139 VanDerWaalsContact O-ND2 3.14Å; F93-N139 WeakPolarHBondContact CA-OD1 3.49Å; F93-N139 HydrophobicContact CD1-CB 4.27Å; F93-N139 HydrophobicContact CD2-CB 3.48Å; F93-N139 VanDerWaalsContact CD2-CB 3.48Å; F93-N139 HydrophobicContact CE1-CB 4.28Å; F93-N139 HydrophobicContact CE2-CB 3.49Å; F93-N139 VanDerWaalsContact CE2-CB 3.49Å; F93-N139 HydrophobicContact CG-CB 3.92Å; F93-N139 HydrophobicContact CZ-CB 3.92Å; L94-N139 PolarHBondContact N-OD1 2.87Å; L94-N139 PolarHBondContact O-N 3.39Å
140	D	95.5	Very high	94.8	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133.3	179	-165.1	-17.1	0	0	0	109.5	F93 S95 C96 R148 V293	F93-D140 HydrophobicContact CE1-CB 4.06Å; F93-D140 HydrophobicContact CZ-CB 3.63Å; S95-D140 WeakPolarHBondContact CA-O 3.33Å; C96-D140 PolarHBondContact N-O 3.25Å; D140-R148 IonicContact OD1-CZ 3.55Å; D140-R148 IonicContact OD1-NH1 3.41Å; D140-R148 PolarHBondContact OD1-NH1 3.43Å; D140-R148 IonicContact OD1-NH2 2.89Å; D140-R148 PolarHBondContact OD1-NH2 2.82Å; D140-R148 IonicContact OD2-CZ 2.87Å; D140-R148 IonicContact OD2-NH1 2.74Å; D140-R148 PolarHBondContact OD2-NH1 3.43Å; D140-R148 IonicContact OD2-NH2 2.89Å; D140-V293 HydrophobicContact CB-CB 4.32Å; D140-V293 HydrophobicContact CB-CG1 4.18Å
141	F	97.2	Very high	95	Very high	21 Å²	21	42 Å²	42	9%	0.092	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	101.3	171.2	-162.7	-81.7	0	0	0	108.4	C96 T98 F127 E128 Y138	C96-F141 HydrophobicContact CB-CD2 4.19Å; C96-F141 HydrophobicContact CB-CE2 4.34Å; C96-F141 CarbonylContact O-C 3.58Å; C96-F141 VanDerWaalsContact O-CA 3.24Å; C96-F141 WeakPolarHBondContact O-CA 3.48Å; T98-F141 HydrophobicContact CG2-CE1 3.98Å; T98-F141 HydrophobicContact CG2-CZ 3.94Å; F127-F141 HydrophobicContact CB-CE2 4.41Å; F127-F141 HydrophobicContact CB-CZ 3.77Å; E128-F141 HydrophobicContact CG-CD1 3.8Å; E128-F141 HydrophobicContact CG-CD2 3.95Å; E128-F141 HydrophobicContact CG-CE1 3.82Å; E128-F141 HydrophobicContact CG-CE2 3.97Å; E128-F141 HydrophobicContact CG-CG 3.87Å; E128-F141 HydrophobicContact CG-CZ 3.91Å; Y138-F141 HydrophobicContact CD2-CB 3.95Å; Y138-F141 HydrophobicContact CE1-CD2 4.22Å; Y138-F141 HydrophobicContact CE2-CB 3.51Å; Y138-F141 HydrophobicContact CE2-CD2 4.27Å; Y138-F141 HydrophobicContact CE2-CG 4.33Å
142	I	97.8	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135	-175.4	178.8	67	0	0	0	111.4	C96 G97 T98 R148 H149 N289 T292 V293	C96-I142 PolarHBondContact O-N 3.05Å; G97-I142 CarbonylContact C-O 3.38Å; G97-I142 WeakPolarHBondContact CA-O 3.48Å; T98-I142 PolarHBondContact N-O 2.8Å; I142-R148 HydrophobicContact CD1-CG 4.36Å; I142-R148 VanDerWaalsContact CD1-NH2 3.26Å; I142-H149 HydrophobicContact CD1-CB 4.24Å; I142-N289 HydrophobicContact CG1-CB 4.3Å; I142-N289 HydrophobicContact CG2-CB 3.97Å; I142-N289 WeakPolarHBondContact CG2-OD1 3.47Å; I142-T292 HydrophobicContact CD1-CG2 3.82Å; I142-V293 HydrophobicContact CB-CG1 3.71Å; I142-V293 HydrophobicContact CG1-CG1 4.43Å; I142-V293 HydrophobicContact CG2-CG1 3.71Å
143	R	98.2	Very high	95.7	Very high	47 Å²	47	36.6 Å²	36.6	18%	0.177	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.7	166.3	-53.5	175	54.7	-155.4	-11.6	109.5	E100 N121 S124 T145 E146	E100-R143 WeakPolarHBondContact OE1-CB 3.48Å; E100-R143 IonicContact OE1-CZ 2.86Å; E100-R143 IonicContact OE1-NE 3.34Å; E100-R143 PolarHBondContact OE1-NE 3.29Å; E100-R143 IonicContact OE1-NH2 3.1Å; E100-R143 PolarHBondContact OE1-NH2 3.11Å; E100-R143 IonicContact OE2-CZ 2.98Å; E100-R143 IonicContact OE2-NE 3.48Å; E100-R143 IonicContact OE2-NH2 3.32Å; E100-R143 PolarHBondContact OE2-NH2 2.6Å; N121-R143 PolarHBondContact OD1-NH1 3.2Å; N121-R143 PolarHBondContact OD1-NH2 2.99Å; S124-R143 WeakPolarHBondContact OG-CD 3.48Å; S124-R143 WeakPolarHBondContact OG-CG 3.33Å; S124-R143 PolarHBondContact OG-NE 3.2Å; R143-T145 PolarHBondContact O-N 3.19Å; R143-T145 VanDerWaalsContact O-N 3.12Å; R143-E146 HydrophobicContact CB-CG 4.08Å; R143-E146 PolarHBondContact N-OE1 2.83Å; R143-E146 WeakPolarHBondContact O-CB 3.36Å; R143-E146 WeakPolarHBondContact O-CG 3.19Å; R143-E146 PolarHBondContact O-N 3.06Å
144	T	98.2	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.4	-177.7	58	0	0	0	0	113.6	I35 T98 D99 E100 H101 E146 H149	I35-T144 HydrophobicContact CD1-CG2 3.48Å; I35-T144 VanDerWaalsContact CD1-CG2 3.48Å; T98-T144 PolarHBondContact O-N 3.26Å; T98-T144 VanDerWaalsContact O-N 3.12Å; D99-T144 PolarHBondContact OD1-OG1 2.65Å; E100-T144 PolarHBondContact N-OG1 3.19Å; H101-T144 PolarHBondContact CE1-O 3.45Å; H101-T144 PolarHBondContact ND1-OG1 2.99Å; T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 PolarHBondContact O-N 3.42Å; T144-H149 WeakPolarHBondContact CA-CD2 3.25Å; T144-H149 VanDerWaalsContact CB-CD2 3.45Å; T144-H149 WeakPolarHBondContact CB-CD2 3.23Å; T144-H149 WeakPolarHBondContact CG2-NE2 3.27Å; T144-H149 PolarHBondContact O-CD2 3.27Å
145	T	97.7	Very high	96.5	Very high	32 Å²	32	41.5 Å²	41.5	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.2	171.6	53.4	0	0	0	0	114.3	E100 L117 R143 W268	E100-T145 HydrophobicContact CB-CG2 3.71Å; E100-T145 WeakPolarHBondContact OE2-CB 3.34Å; E100-T145 WeakPolarHBondContact OE2-CG2 3.29Å; E100-T145 PolarHBondContact OE2-OG1 3.32Å; L117-T145 HydrophobicContact CD1-CG2 3.93Å; R143-T145 PolarHBondContact O-N 3.19Å; R143-T145 VanDerWaalsContact O-N 3.12Å; T145-W268 HydrophobicContact CG2-CH2 4.12Å; T145-W268 HydrophobicContact CG2-CZ2 3.92Å
146	E	98.2	Very high	96.9	Very high	55 Å²	55	39.3 Å²	39.3	26%	0.257	19%	0.188	S	C	.	.	S	Bend	trans	-68.2	141.8	-179.3	-72.9	178	-123.1	0	0	112.6	R143 T144 R148 H149 V150	R143-E146 HydrophobicContact CB-CG 4.08Å; R143-E146 PolarHBondContact N-OE1 2.83Å; R143-E146 WeakPolarHBondContact O-CB 3.36Å; R143-E146 WeakPolarHBondContact O-CG 3.19Å; R143-E146 PolarHBondContact O-N 3.06Å; T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 PolarHBondContact O-N 3.42Å; E146-R148 HydrophobicContact CB-CG 4.05Å; E146-R148 PolarHBondContact O-N 2.95Å; E146-R148 VanDerWaalsContact O-N 3.12Å; E146-R148 IonicContact OE1-NE 3.51Å; E146-R148 IonicContact OE1-NH2 3.27Å; E146-R148 PolarHBondContact OE1-NH2 2.95Å; E146-R148 IonicContact OE2-CZ 3.24Å; E146-R148 IonicContact OE2-NE 3.59Å; E146-R148 PolarHBondContact OE2-NE 2.6Å; E146-R148 IonicContact OE2-NH2 3.43Å; E146-R148 PolarHBondContact OE2-NH2 3.44Å; E146-H149 WeakPolarHBondContact O-CA 3.36Å; E146-H149 WeakPolarHBondContact O-CB 3.28Å; E146-H149 PolarHBondContact O-N 3.34Å; E146-V150 PolarHBondContact O-N 3.49Å; E146-V150 VanDerWaalsContact O-N 3.12Å
147	T	98.1	Very high	97.3	Very high	101 Å²	101	39.3 Å²	39.3	62%	0.62	19%	0.187	S	C	*	.	H	α-helix	trans	-56.7	-33.7	178.9	-49.9	0	0	0	0	113.2	H149 V150 K151	T147-H149 VanDerWaalsContact C-N 3.3Å; T147-H149 PolarHBondContact O-N 3.42Å; T147-V150 PolarHBondContact O-N 2.88Å; T147-K151 WeakPolarHBondContact O-CG 3.22Å; T147-K151 PolarHBondContact O-N 3.06Å; T147-K151 VanDerWaalsContact O-N 3.11Å
148	R	97.2	Very high	97.6	Very high	72 Å²	72	39.4 Å²	39.4	27%	0.272	19%	0.191	S	C	.	.	H	α-helix	trans	-64.5	-35.5	175.8	63.4	172	175.7	136.7	-7.6	112.2	D140 I142 E146 A152 T292	D140-R148 IonicContact OD1-CZ 3.55Å; D140-R148 IonicContact OD1-NH1 3.41Å; D140-R148 PolarHBondContact OD1-NH1 3.43Å; D140-R148 IonicContact OD1-NH2 2.89Å; D140-R148 PolarHBondContact OD1-NH2 2.82Å; D140-R148 IonicContact OD2-CZ 2.87Å; D140-R148 IonicContact OD2-NH1 2.74Å; D140-R148 PolarHBondContact OD2-NH1 3.43Å; D140-R148 IonicContact OD2-NH2 2.89Å; I142-R148 HydrophobicContact CD1-CG 4.36Å; I142-R148 VanDerWaalsContact CD1-NH2 3.26Å; E146-R148 HydrophobicContact CB-CG 4.05Å; E146-R148 PolarHBondContact O-N 2.95Å; E146-R148 VanDerWaalsContact O-N 3.12Å; E146-R148 IonicContact OE1-NE 3.51Å; E146-R148 IonicContact OE1-NH2 3.27Å; E146-R148 PolarHBondContact OE1-NH2 2.95Å; E146-R148 IonicContact OE2-CZ 3.24Å; E146-R148 IonicContact OE2-NE 3.59Å; E146-R148 PolarHBondContact OE2-NE 2.6Å; E146-R148 IonicContact OE2-NH2 3.43Å; E146-R148 PolarHBondContact OE2-NH2 3.44Å; R148-A152 PolarHBondContact O-N 2.62Å; R148-A152 VanDerWaalsContact O-N 3.1Å; R148-T292 HydrophobicContact CG-CG2 4.09Å
149	H	98.3	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.1	-45.1	177	-169.9	56.4	0	0	0	111.2	I142 T144 E146 T147 K151 A152 V153 D285 N289 T292	I142-H149 HydrophobicContact CD1-CB 4.24Å; T144-H149 WeakPolarHBondContact CA-CD2 3.25Å; T144-H149 VanDerWaalsContact CB-CD2 3.45Å; T144-H149 WeakPolarHBondContact CB-CD2 3.23Å; T144-H149 WeakPolarHBondContact CG2-NE2 3.27Å; T144-H149 PolarHBondContact O-CD2 3.27Å; E146-H149 WeakPolarHBondContact O-CA 3.36Å; E146-H149 WeakPolarHBondContact O-CB 3.28Å; E146-H149 PolarHBondContact O-N 3.34Å; T147-H149 VanDerWaalsContact C-N 3.3Å; T147-H149 PolarHBondContact O-N 3.42Å; H149-K151 PolarHBondContact O-N 2.94Å; H149-A152 CarbonylContact O-C 3.58Å; H149-A152 WeakPolarHBondContact O-CA 3.05Å; H149-A152 WeakPolarHBondContact O-CB 3.5Å; H149-A152 PolarHBondContact O-N 2.61Å; H149-V153 WeakPolarHBondContact O-CG2 3.38Å; H149-V153 PolarHBondContact O-N 2.86Å; H149-D285 IonicContact CD2-OD1 3.64Å; H149-D285 PolarHBondContact CD2-OD1 2.81Å; H149-D285 VanDerWaalsContact CD2-OD1 3.26Å; H149-D285 PolarHBondContact CE1-O 2.86Å; H149-D285 VanDerWaalsContact CE1-O 3.24Å; H149-D285 IonicContact CE1-OD1 3.26Å; H149-D285 PolarHBondContact NE2-O 3.34Å; H149-D285 IonicContact NE2-OD1 3.57Å; H149-D285 PolarHBondContact NE2-OD1 3.25Å; H149-N289 PolarHBondContact CE1-N 2.74Å; H149-N289 VanDerWaalsContact CE1-N 3.33Å; H149-T292 HydrophobicContact CB-CG2 4.07Å; H149-T292 PolarHBondContact ND1-OG1 3.45Å
150	V	98.1	Very high	97.9	Very high	42 Å²	42	38.3 Å²	38.3	26%	0.255	18%	0.183	S	C	.	.	H	α-helix	trans	-55.8	-42.4	176.1	-178.3	0	0	0	0	111.8	E146 T147 V153 H154 I270	E146-V150 PolarHBondContact O-N 3.49Å; E146-V150 VanDerWaalsContact O-N 3.12Å; T147-V150 PolarHBondContact O-N 2.88Å; V150-V153 PolarHBondContact O-N 2.91Å; V150-H154 WeakPolarHBondContact O-CB 3.19Å; V150-H154 PolarHBondContact O-N 3.38Å; V150-I270 HydrophobicContact CB-CD1 4.32Å; V150-I270 HydrophobicContact CG1-CG2 4.11Å; V150-I270 HydrophobicContact CG2-CD1 3.9Å; V150-I270 HydrophobicContact CG2-CG1 4.3Å
151	K	98	Very high	98	Very high	135 Å²	135	41.2 Å²	41.2	59%	0.587	20%	0.199	S	C	*	.	H	α-helix	trans	-62.6	-43.8	173.9	-71.5	174.4	179.3	179.6	0	112.6	T147 H149 E155	T147-K151 WeakPolarHBondContact O-CG 3.22Å; T147-K151 PolarHBondContact O-N 3.06Å; T147-K151 VanDerWaalsContact O-N 3.11Å; H149-K151 PolarHBondContact O-N 2.94Å; K151-E155 PolarHBondContact O-N 3.47Å
152	A	98	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-45.2	176.3	0	0	0	0	0	111.8	R148 H149 E155 F156 I288 T292 F296	R148-A152 PolarHBondContact O-N 2.62Å; R148-A152 VanDerWaalsContact O-N 3.1Å; H149-A152 CarbonylContact O-C 3.58Å; H149-A152 WeakPolarHBondContact O-CA 3.05Å; H149-A152 WeakPolarHBondContact O-CB 3.5Å; H149-A152 PolarHBondContact O-N 2.61Å; A152-E155 PolarHBondContact O-N 3.28Å; A152-F156 WeakPolarHBondContact O-CB 3.34Å; A152-F156 PolarHBondContact O-N 3.48Å; A152-I288 HydrophobicContact CB-CG2 3.97Å; A152-T292 HydrophobicContact CB-CG2 4.22Å; A152-T292 VanDerWaalsContact CB-OG1 3.3Å; A152-T292 WeakPolarHBondContact CB-OG1 3.24Å; A152-F296 HydrophobicContact CB-CD1 3.86Å; A152-F296 WeakPolarHBondContact O-CE1 3.31Å
153	V	98.6	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-45.2	179.8	173.4	0	0	0	0	111.3	H149 V150 E155 F156 W157 I270 V280 F284 D285 I288	H149-V153 WeakPolarHBondContact O-CG2 3.38Å; H149-V153 PolarHBondContact O-N 2.86Å; V150-V153 PolarHBondContact O-N 2.91Å; V153-E155 PolarHBondContact O-N 3.23Å; V153-F156 PolarHBondContact O-N 3.16Å; V153-W157 VanDerWaalsContact O-CB 3.31Å; V153-W157 WeakPolarHBondContact O-CB 2.98Å; V153-W157 PolarHBondContact O-N 3.41Å; V153-I270 HydrophobicContact CB-CD1 4.04Å; V153-I270 HydrophobicContact CG1-CD1 4.16Å; V153-I270 HydrophobicContact CG1-CG2 4.17Å; V153-I270 HydrophobicContact CG2-CD1 3.95Å; V153-V280 HydrophobicContact CG1-CG1 4.15Å; V153-V280 HydrophobicContact CG1-CG2 4.32Å; V153-F284 HydrophobicContact CG1-CE1 4.45Å; V153-D285 WeakPolarHBondContact CG2-OD1 3.02Å; V153-I288 HydrophobicContact CB-CD1 4.42Å; V153-I288 HydrophobicContact CG1-CD1 4.39Å; V153-I288 HydrophobicContact CG2-CB 4.11Å; V153-I288 HydrophobicContact CG2-CD1 4.07Å; V153-I288 HydrophobicContact CG2-CG2 3.94Å
154	H	98.3	Very high	98	Very high	63 Å²	63	46.3 Å²	46.3	29%	0.292	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-45	176.3	-74.1	-171.9	0	0	0	112.3	V150 W157 N158 I270 H271 P273	V150-H154 WeakPolarHBondContact O-CB 3.19Å; V150-H154 PolarHBondContact O-N 3.38Å; H154-W157 PolarHBondContact O-N 3.41Å; H154-N158 PolarHBondContact O-N 3.19Å; H154-N158 PolarHBondContact O-ND2 3.25Å; H154-I270 WeakPolarHBondContact NE2-CG2 3.33Å; H154-H271 PolarHBondContact NE2-O 3.41Å; H154-P273 HydrophobicContact CB-CG 3.93Å
155	E	97.9	Very high	98	Very high	61 Å²	61	47.5 Å²	47.5	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-45.7	176.9	175.4	66.9	-178	0	0	111.4	K151 A152 V153 W157 N158 R159 F296 P297	K151-E155 PolarHBondContact O-N 3.47Å; A152-E155 PolarHBondContact O-N 3.28Å; V153-E155 PolarHBondContact O-N 3.23Å; E155-W157 VanDerWaalsContact C-N 3.31Å; E155-W157 PolarHBondContact O-N 2.93Å; E155-N158 PolarHBondContact O-N 3.11Å; E155-R159 WeakPolarHBondContact O-CG 3.26Å; E155-R159 PolarHBondContact O-N 2.91Å; E155-R159 IonicContact OE1-CZ 3.56Å; E155-R159 VanDerWaalsContact OE1-CZ 3.27Å; E155-R159 IonicContact OE1-NE 3.62Å; E155-R159 PolarHBondContact OE1-NE 3.28Å; E155-R159 IonicContact OE1-NH2 3.43Å; E155-R159 PolarHBondContact OE1-NH2 3.46Å; E155-F296 HydrophobicContact CB-CE1 4.07Å; E155-F296 HydrophobicContact CB-CZ 4.36Å; E155-F296 HydrophobicContact CG-CE1 3.98Å; E155-F296 HydrophobicContact CG-CZ 3.76Å; E155-P297 HydrophobicContact CB-CB 4.02Å; E155-P297 HydrophobicContact CB-CG 4.2Å; E155-P297 HydrophobicContact CG-CB 3.7Å; E155-P297 HydrophobicContact CG-CG 4.37Å
156	F	98.5	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-44.2	179.5	-167.5	-79.5	0	0	0	111	A152 V153 N158 R159 L160 F284 I288 L291 F296 W330 L333 L334 V337 L339	A152-F156 WeakPolarHBondContact O-CB 3.34Å; A152-F156 PolarHBondContact O-N 3.48Å; V153-F156 PolarHBondContact O-N 3.16Å; F156-N158 PolarHBondContact O-N 3.11Å; F156-R159 PolarHBondContact O-N 3.07Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.21Å; F156-F284 HydrophobicContact CD1-CE1 4.14Å; F156-F284 HydrophobicContact CD1-CE2 4.39Å; F156-F284 AromaticContact CD1-CZ 3.67Å; F156-F284 HydrophobicContact CD1-CZ 3.67Å; F156-F284 HydrophobicContact CE1-CE2 4.37Å; F156-F284 HydrophobicContact CE1-CZ 4.09Å; F156-I288 HydrophobicContact CB-CD1 3.79Å; F156-I288 HydrophobicContact CB-CG1 4.37Å; F156-I288 HydrophobicContact CD1-CD1 3.76Å; F156-I288 HydrophobicContact CD1-CG1 4.28Å; F156-I288 HydrophobicContact CD2-CD1 4.45Å; F156-I288 HydrophobicContact CD2-CG1 4.27Å; F156-I288 HydrophobicContact CG-CD1 3.74Å; F156-I288 HydrophobicContact CG-CG1 4.05Å; F156-L291 HydrophobicContact CD2-CD2 3.81Å; F156-L291 HydrophobicContact CE2-CD2 4.13Å; F156-F296 HydrophobicContact CB-CE1 4.1Å; F156-F296 HydrophobicContact CD2-CE1 4.48Å; F156-F296 HydrophobicContact CD2-CZ 4.49Å; F156-W330 HydrophobicContact CE2-CH2 4.31Å; F156-W330 HydrophobicContact CE2-CZ3 4.15Å; F156-W330 HydrophobicContact CZ-CZ3 4.07Å; F156-L333 HydrophobicContact CE1-CB 4.02Å; F156-L333 HydrophobicContact CE1-CD2 4.47Å; F156-L333 HydrophobicContact CZ-CB 3.9Å; F156-L334 HydrophobicContact CE2-CD2 4.26Å; F156-V337 HydrophobicContact CD2-CG2 4.35Å; F156-V337 HydrophobicContact CE1-CG1 4.27Å; F156-V337 HydrophobicContact CE1-CG2 4.49Å; F156-V337 HydrophobicContact CE2-CG2 3.58Å; F156-V337 HydrophobicContact CZ-CG1 4.23Å; F156-V337 HydrophobicContact CZ-CG2 3.65Å; F156-L339 HydrophobicContact CE2-CD1 4.13Å
157	W	98.5	Very high	97.9	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-47.2	174.8	-177.5	-81.4	0	0	0	112.1	V153 H154 E155 R159 L160 N161 V166 Y214 I259 V272 P273 V280 F284	V153-W157 VanDerWaalsContact O-CB 3.31Å; V153-W157 WeakPolarHBondContact O-CB 2.98Å; V153-W157 PolarHBondContact O-N 3.41Å; H154-W157 PolarHBondContact O-N 3.41Å; E155-W157 VanDerWaalsContact C-N 3.31Å; E155-W157 PolarHBondContact O-N 2.93Å; W157-R159 VanDerWaalsContact C-N 3.33Å; W157-R159 PolarHBondContact O-N 3.35Å; W157-L160 PolarHBondContact O-N 3.39Å; W157-N161 WeakPolarHBondContact O-CB 3.45Å; W157-N161 PolarHBondContact O-N 3.32Å; W157-V166 HydrophobicContact CZ2-CG1 4.47Å; W157-Y214 HydrophobicContact CH2-CD1 4.47Å; W157-Y214 HydrophobicContact CH2-CD2 4.33Å; W157-Y214 AromaticContact CH2-CG 3.94Å; W157-Y214 HydrophobicContact CH2-CG 3.94Å; W157-Y214 AromaticContact CZ2-CD1 3.85Å; W157-Y214 HydrophobicContact CZ2-CD1 3.85Å; W157-Y214 HydrophobicContact CZ2-CD2 4.11Å; W157-Y214 HydrophobicContact CZ2-CE1 4.27Å; W157-Y214 AromaticContact CZ2-CG 3.71Å; W157-Y214 HydrophobicContact CZ2-CG 3.71Å; W157-I259 HydrophobicContact CE3-CD1 4.33Å; W157-I259 HydrophobicContact CH2-CD1 3.8Å; W157-I259 HydrophobicContact CH2-CG1 3.96Å; W157-I259 HydrophobicContact CZ3-CB 4.4Å; W157-I259 HydrophobicContact CZ3-CD1 3.63Å; W157-I259 HydrophobicContact CZ3-CG1 3.96Å; W157-V272 HydrophobicContact CD2-CG1 4.41Å; W157-V272 HydrophobicContact CH2-CG1 4.14Å; W157-V272 HydrophobicContact CH2-CG2 3.78Å; W157-V272 HydrophobicContact CZ2-CB 4.28Å; W157-V272 HydrophobicContact CZ2-CG1 3.38Å; W157-V272 HydrophobicContact CZ2-CG2 3.92Å; W157-V272 HydrophobicContact CZ3-CG2 4.24Å; W157-P273 HydrophobicContact CB-CG 4.03Å; W157-P273 HydrophobicContact CG-CG 3.96Å; W157-V280 HydrophobicContact CE3-CG2 4.17Å; W157-V280 HydrophobicContact CZ3-CG2 4.31Å; W157-F284 HydrophobicContact CE3-CD1 4.44Å; W157-F284 AromaticContact CE3-CE1 3.8Å; W157-F284 HydrophobicContact CE3-CE1 3.8Å; W157-F284 HydrophobicContact CE3-CE2 4.38Å; W157-F284 AromaticContact CE3-CZ 3.76Å; W157-F284 HydrophobicContact CE3-CZ 3.76Å; W157-F284 HydrophobicContact CZ3-CZ 4.42Å
158	N	98.1	Very high	97.7	Very high	77 Å²	77	49.1 Å²	49.1	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-43	178.9	-70.9	-24.7	0	0	0	111.7	H154 E155 F156 N161 A162	H154-N158 PolarHBondContact O-N 3.19Å; H154-N158 PolarHBondContact O-ND2 3.25Å; E155-N158 PolarHBondContact O-N 3.11Å; F156-N158 PolarHBondContact O-N 3.11Å; N158-N161 PolarHBondContact O-N 2.67Å; N158-A162 VanDerWaalsContact O-CB 3.29Å; N158-A162 WeakPolarHBondContact O-CB 3.08Å; N158-A162 PolarHBondContact O-N 3.47Å
159	R	97.8	Very high	97.5	Very high	75 Å²	75	47.9 Å²	47.9	28%	0.283	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.9	-69	-177	-170.6	-158	1.9	112.2	E155 F156 W157 A162 S163 V337	E155-R159 WeakPolarHBondContact O-CG 3.26Å; E155-R159 PolarHBondContact O-N 2.91Å; E155-R159 IonicContact OE1-CZ 3.56Å; E155-R159 VanDerWaalsContact OE1-CZ 3.27Å; E155-R159 IonicContact OE1-NE 3.62Å; E155-R159 PolarHBondContact OE1-NE 3.28Å; E155-R159 IonicContact OE1-NH2 3.43Å; E155-R159 PolarHBondContact OE1-NH2 3.46Å; F156-R159 PolarHBondContact O-N 3.07Å; W157-R159 VanDerWaalsContact C-N 3.33Å; W157-R159 PolarHBondContact O-N 3.35Å; R159-A162 PolarHBondContact O-N 3.44Å; R159-S163 PolarHBondContact O-N 2.91Å; R159-V337 HydrophobicContact CB-CB 4.27Å; R159-V337 HydrophobicContact CB-CG1 3.82Å
160	L	98.3	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-41.1	179.2	-172.2	69.3	0	0	0	112.1	F156 W157 S163 N165 V166 F216 I259 F284 L333 A336 V337	F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.21Å; W157-L160 PolarHBondContact O-N 3.39Å; L160-S163 PolarHBondContact O-N 2.88Å; L160-S163 PolarHBondContact O-OG 2.84Å; L160-N165 HydrophobicContact CD1-CB 4.42Å; L160-V166 HydrophobicContact CB-CG2 4.26Å; L160-V166 HydrophobicContact CD2-CG2 3.76Å; L160-V166 HydrophobicContact CG-CG2 3.58Å; L160-F216 HydrophobicContact CD1-CD2 4.12Å; L160-F216 HydrophobicContact CD1-CE2 3.82Å; L160-F216 HydrophobicContact CD2-CD2 4.25Å; L160-I259 HydrophobicContact CD2-CD1 3.87Å; L160-F284 HydrophobicContact CD2-CE2 3.47Å; L160-F284 VanDerWaalsContact CD2-CE2 3.47Å; L160-F284 HydrophobicContact CD2-CZ 3.86Å; L160-L333 HydrophobicContact CD1-CD2 4.4Å; L160-L333 HydrophobicContact CD2-CD2 3.77Å; L160-A336 HydrophobicContact CD1-CB 3.37Å; L160-V337 HydrophobicContact CB-CG1 3.97Å; L160-V337 HydrophobicContact CD1-CG1 4.06Å
161	N	97.3	Very high	96.2	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-43	174.9	-169.6	53.7	0	0	0	110.9	W157 N158 S163 G164	W157-N161 WeakPolarHBondContact O-CB 3.45Å; W157-N161 PolarHBondContact O-N 3.32Å; N158-N161 PolarHBondContact O-N 2.67Å; N161-S163 VanDerWaalsContact C-N 3.25Å; N161-S163 PolarHBondContact O-N 3.34Å; N161-G164 PolarHBondContact O-N 3.47Å; N161-G164 VanDerWaalsContact O-N 3.1Å
162	A	97.7	Very high	95.6	Very high	87 Å²	87	51.6 Å²	51.6	72%	0.719	27%	0.273	S	S	*	.	H	α-helix	trans	-64.5	-25.9	176.7	0	0	0	0	0	113.5	N158 R159 G164	N158-A162 VanDerWaalsContact O-CB 3.29Å; N158-A162 WeakPolarHBondContact O-CB 3.08Å; N158-A162 PolarHBondContact O-N 3.47Å; R159-A162 PolarHBondContact O-N 3.44Å; A162-G164 PolarHBondContact O-N 2.94Å
163	S	97.6	Very high	95	Very high	49 Å²	49	51.8 Å²	51.8	34%	0.343	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.7	175.1	76	0	0	0	0	114	R159 L160 N161 N165 A336	R159-S163 PolarHBondContact O-N 2.91Å; L160-S163 PolarHBondContact O-N 2.88Å; L160-S163 PolarHBondContact O-OG 2.84Å; N161-S163 VanDerWaalsContact C-N 3.25Å; N161-S163 PolarHBondContact O-N 3.34Å; S163-N165 VanDerWaalsContact C-N 3.28Å; S163-N165 PolarHBondContact O-N 3.44Å; S163-N165 PolarHBondContact O-ND2 2.95Å; S163-N165 PolarHBondContact OG-ND2 3.34Å; S163-A336 WeakPolarHBondContact CB-O 3.2Å; S163-A336 PolarHBondContact OG-O 3.01Å
164	G	97.5	Very high	94.5	Very high	39 Å²	39	53.9 Å²	53.9	40%	0.402	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	13	177.1	0	0	0	0	0	114.4	N161 A162 K217	N161-G164 PolarHBondContact O-N 3.47Å; N161-G164 VanDerWaalsContact O-N 3.1Å; A162-G164 PolarHBondContact O-N 2.94Å; G164-K217 PolarHBondContact O-NZ 3.2Å
165	N	97.7	Very high	94.1	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.128	27%	0.271	C	S	.	.			trans	-94.7	1.1	-179.1	-69.1	-65.4	0	0	0	113.9	L160 S163 F216 K217 A336	L160-N165 HydrophobicContact CD1-CB 4.42Å; S163-N165 VanDerWaalsContact C-N 3.28Å; S163-N165 PolarHBondContact O-N 3.44Å; S163-N165 PolarHBondContact O-ND2 2.95Å; S163-N165 PolarHBondContact OG-ND2 3.34Å; N165-F216 HydrophobicContact CB-CD2 4.13Å; N165-F216 HydrophobicContact CB-CE2 3.89Å; N165-F216 WeakPolarHBondContact O-CA 3.45Å; N165-K217 PolarHBondContact O-N 3.33Å; N165-A336 HydrophobicContact CB-CB 4.33Å
166	V	97.5	Very high	93.7	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.085	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.8	175.6	-173.8	0	0	0	0	109.7	W157 L160 Y214 M215 I259	W157-V166 HydrophobicContact CZ2-CG1 4.47Å; L160-V166 HydrophobicContact CB-CG2 4.26Å; L160-V166 HydrophobicContact CD2-CG2 3.76Å; L160-V166 HydrophobicContact CG-CG2 3.58Å; V166-Y214 HydrophobicContact CG1-CD1 3.68Å; V166-Y214 HydrophobicContact CG1-CG 4.4Å; V166-M215 WeakPolarHBondContact CA-O 3.41Å; V166-I259 HydrophobicContact CG1-CD1 4.31Å; V166-I259 HydrophobicContact CG2-CD1 4.09Å
167	Y	96.4	Very high	93.1	Very high	76 Å²	76	49.8 Å²	49.8	30%	0.298	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.9	173.5	65.7	-79	0	0	0	110.4	M215 K217 D256	Y167-M215 HydrophobicContact CD1-CB 3.96Å; Y167-M215 HydrophobicContact CD2-CB 4.16Å; Y167-M215 HydrophobicContact CE1-CB 3.49Å; Y167-M215 VanDerWaalsContact CE1-CB 3.49Å; Y167-M215 HydrophobicContact CE2-CB 3.72Å; Y167-M215 HydrophobicContact CE2-CG 3.97Å; Y167-M215 HydrophobicContact CG-CB 4.27Å; Y167-M215 PolarHBondContact N-O 2.95Å; Y167-M215 PolarHBondContact O-N 3.28Å; Y167-K217 HydrophobicContact CD1-CD 4.49Å; Y167-K217 HydrophobicContact CD1-CG 3.79Å; Y167-K217 HydrophobicContact CE1-CG 3.68Å; Y167-D256 WeakPolarHBondContact OH-CB 3.41Å; Y167-D256 PolarHBondContact OH-OD2 3.3Å; Y167-D256 VanDerWaalsContact OH-OD2 3.1Å
168	R	94.9	Very high	92.4	Very high	133 Å²	133	52.3 Å²	52.3	50%	0.502	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.7	172.8	-72.4	-173.4	178.9	-157.9	-0	110.3	N213 Y214 D275	R168-N213 WeakPolarHBondContact CA-O 3.44Å; R168-Y214 HydrophobicContact CG-CD1 3.93Å; R168-Y214 HydrophobicContact CG-CE1 3.86Å; R168-Y214 HydrophobicContact CG-CG 4.4Å; R168-Y214 VanDerWaalsContact NE-CZ 3.3Å; R168-Y214 PolarHBondContact NE-OH 3Å; R168-Y214 PolarHBondContact NH2-OH 2.83Å; R168-D275 IonicContact CZ-OD2 3.58Å; R168-D275 IonicContact NH1-OD2 3.89Å; R168-D275 IonicContact NH2-OD2 2.87Å; R168-D275 PolarHBondContact NH2-OD2 3.08Å
169	S	92.7	Very high	91.8	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151.1	172.7	-168.9	0	0	0	0	110.6	Y171 N213	S169-Y171 PolarHBondContact O-N 3.38Å; S169-N213 PolarHBondContact N-O 3.08Å; S169-N213 PolarHBondContact O-N 3.37Å
170	K	88.4	Confident	91.2	Very high	170 Å²	170	46.5 Å²	46.5	74%	0.739	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.2	154.9	-68.3	-173.1	178.4	-174.9	0	107.6	E212	K170-E212 HydrophobicContact CG-CB 4.4Å
171	Y	80.5	Confident	90.6	Very high	35 Å²	35	46.5 Å²	46.5	14%	0.137	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.1	179.4	-177.8	-92.6	0	0	0	108.4	S169 F182 E210 E211 M215	S169-Y171 PolarHBondContact O-N 3.38Å; Y171-F182 HydrophobicContact CD1-CD1 4.24Å; Y171-F182 AromaticContact CD1-CE1 3.98Å; Y171-F182 HydrophobicContact CD1-CE1 3.98Å; Y171-F182 HydrophobicContact CD1-CZ 4.16Å; Y171-F182 HydrophobicContact CE1-CB 4.23Å; Y171-F182 AromaticContact CE1-CD1 3.39Å; Y171-F182 HydrophobicContact CE1-CD1 3.39Å; Y171-F182 HydrophobicContact CE1-CD2 4.2Å; Y171-F182 AromaticContact CE1-CE1 3.58Å; Y171-F182 HydrophobicContact CE1-CE1 3.58Å; Y171-F182 HydrophobicContact CE1-CE2 4.38Å; Y171-F182 AromaticContact CE1-CG 3.69Å; Y171-F182 HydrophobicContact CE1-CG 3.69Å; Y171-F182 HydrophobicContact CE1-CZ 4.08Å; Y171-E210 CarbonylContact O-C 3.4Å; Y171-E210 WeakPolarHBondContact O-CA 3.45Å; Y171-E211 PolarHBondContact N-O 2.86Å; Y171-E211 PolarHBondContact O-N 3.16Å; Y171-M215 HydrophobicContact CD2-CE 3.34Å; Y171-M215 HydrophobicContact CD2-SD 3.83Å; Y171-M215 HydrophobicContact CE2-CE 3.76Å; Y171-M215 HydrophobicContact CG-CE 4.16Å; Y171-M215 HydrophobicContact CG-SD 4.08Å
172	S	84.7	Confident	90.1	Very high	50 Å²	50	43.1 Å²	43.1	35%	0.35	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	172.8	-55	0	0	0	0	108.6	W208 I209 E210	S172-W208 VanDerWaalsContact CB-CZ2 3.43Å; S172-I209 CarbonylContact C-O 3.57Å; S172-I209 VanDerWaalsContact CA-O 3.23Å; S172-I209 WeakPolarHBondContact CA-O 3.3Å; S172-E210 VanDerWaalsContact OG-CG 3.22Å; S172-E210 WeakPolarHBondContact OG-CG 3.37Å; S172-E210 PolarHBondContact OG-OE1 2.81Å; S172-E210 VanDerWaalsContact OG-OE1 3.05Å
173	G	85.9	Confident	89.5	Confident	4 Å²	4	39.1 Å²	39.1	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	168.7	-178.4	0	0	0	0	0	114.4	I209	G173-I209 PolarHBondContact N-O 3.34Å; G173-I209 PolarHBondContact O-N 3.14Å
174	W	89.2	Confident	88.9	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.9	174.7	-66.2	109.8	0	0	0	110	F182 Y183 I188 P197 V206 E207 W208	W174-F182 CarbonylContact O-C 3.6Å; W174-F182 WeakPolarHBondContact O-CA 3.43Å; W174-Y183 PolarHBondContact O-N 3Å; W174-I188 HydrophobicContact CB-CD1 4.09Å; W174-I188 HydrophobicContact CB-CG1 3.93Å; W174-I188 HydrophobicContact CG-CD1 4.48Å; W174-I188 HydrophobicContact CG-CG1 3.83Å; W174-P197 HydrophobicContact CH2-CB 4.42Å; W174-P197 HydrophobicContact CH2-CG 3.88Å; W174-P197 HydrophobicContact CZ3-CB 4.26Å; W174-P197 HydrophobicContact CZ3-CG 3.95Å; W174-V206 HydrophobicContact CB-CB 4.2Å; W174-V206 HydrophobicContact CB-CG2 4.02Å; W174-V206 HydrophobicContact CD2-CG2 4.07Å; W174-V206 HydrophobicContact CE3-CB 4.38Å; W174-V206 HydrophobicContact CE3-CG2 3.66Å; W174-V206 HydrophobicContact CG-CG2 4.26Å; W174-V206 HydrophobicContact CZ3-CG2 4.43Å; W174-E207 CarbonylContact C-O 3.58Å; W174-E207 WeakPolarHBondContact CA-O 3.35Å; W174-W208 AromaticContact CD1-CE3 3.99Å; W174-W208 AromaticContact CD1-CZ3 3.89Å; W174-W208 AromaticContact CD2-CE3 3.82Å; W174-W208 HydrophobicContact CD2-CE3 3.82Å; W174-W208 HydrophobicContact CD2-CZ3 4.47Å; W174-W208 AromaticContact CE2-CE3 3.75Å; W174-W208 HydrophobicContact CE3-CB 4.18Å; W174-W208 HydrophobicContact CE3-CE3 4.4Å; W174-W208 AromaticContact CG-CE3 4Å; W174-W208 HydrophobicContact CG-CE3 4Å; W174-W208 HydrophobicContact CG-CZ3 4.3Å; W174-W208 HydrophobicContact CH2-CB 4.45Å; W174-W208 HydrophobicContact CZ2-CE3 4.27Å; W174-W208 HydrophobicContact CZ3-CB 4.04Å; W174-W208 AromaticContact NE1-CE3 3.85Å; W174-W208 AromaticContact NE1-CZ3 3.82Å
175	Y	89.1	Confident	88.2	Confident	8 Å²	8	39.3 Å²	39.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.8	-179.5	-175.4	-97.4	0	0	0	111.1	V177 E180 F182 V206 E207 I209 R265	Y175-V177 HydrophobicContact CD1-CG2 4.02Å; Y175-V177 HydrophobicContact CE1-CB 4.37Å; Y175-V177 HydrophobicContact CE1-CG2 3.94Å; Y175-E180 WeakPolarHBondContact OH-CA 3.36Å; Y175-F182 AromaticContact CD2-CD1 3.66Å; Y175-F182 HydrophobicContact CD2-CD1 3.66Å; Y175-F182 AromaticContact CD2-CD2 3.84Å; Y175-F182 HydrophobicContact CD2-CD2 3.84Å; Y175-F182 AromaticContact CD2-CE1 3.58Å; Y175-F182 HydrophobicContact CD2-CE1 3.58Å; Y175-F182 AromaticContact CD2-CE2 3.73Å; Y175-F182 HydrophobicContact CD2-CE2 3.73Å; Y175-F182 AromaticContact CD2-CG 3.83Å; Y175-F182 HydrophobicContact CD2-CG 3.83Å; Y175-F182 AromaticContact CD2-CZ 3.62Å; Y175-F182 HydrophobicContact CD2-CZ 3.62Å; Y175-F182 HydrophobicContact CE2-CD2 4.24Å; Y175-F182 HydrophobicContact CE2-CE2 4.04Å; Y175-F182 HydrophobicContact CE2-CZ 4.25Å; Y175-F182 HydrophobicContact CG-CD1 4.22Å; Y175-F182 HydrophobicContact CG-CE1 4.05Å; Y175-F182 HydrophobicContact CG-CZ 4.38Å; Y175-V206 CarbonylContact O-C 3.6Å; Y175-V206 VanDerWaalsContact O-CA 3.27Å; Y175-V206 WeakPolarHBondContact O-CA 3.32Å; Y175-E207 PolarHBondContact N-O 2.85Å; Y175-E207 PolarHBondContact O-N 2.99Å; Y175-I209 HydrophobicContact CD1-CD1 3.98Å; Y175-I209 HydrophobicContact CG-CD1 3.92Å; Y175-R265 VanDerWaalsContact CG-NH2 3.28Å; Y175-R265 VanDerWaalsContact CZ-NH2 3.26Å
176	C	89.6	Confident	87.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.7	169	-169.8	0	0	0	0	110.6	S178 D179 E180 A181 Y183 N204 P205 V206	C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 3.12Å; C176-S178 PolarHBondContact SG-N 2.67Å; C176-S178 VanDerWaalsContact SG-N 3.41Å; C176-D179 HydrophobicContact CB-CB 3.93Å; C176-D179 PolarHBondContact O-N 3.04Å; C176-D179 PolarHBondContact SG-N 2.07Å; C176-D179 VanDerWaalsContact SG-N 3.41Å; C176-D179 PolarHBondContact SG-OD2 3.28Å; C176-E180 VanDerWaalsContact O-CA 3.26Å; C176-E180 WeakPolarHBondContact O-CA 3.43Å; C176-E180 PolarHBondContact O-N 2.84Å; C176-A181 PolarHBondContact N-O 3.17Å; C176-A181 PolarHBondContact O-N 3.33Å; C176-Y183 HydrophobicContact CB-CD2 4.05Å; C176-Y183 HydrophobicContact CB-CE2 3.7Å; C176-N204 WeakPolarHBondContact SG-CB 3.27Å; C176-P205 PolarHBondContact SG-O 2.8Å; C176-V206 HydrophobicContact CB-CG1 3.89Å
177	V	85.4	Confident	87	Confident	31 Å²	31	50 Å²	50	19%	0.188	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.6	172.3	180	0	0	0	0	111.4	K104 Y175 E180 E207	K104-V177 WeakPolarHBondContact CE-O 3.35Å; Y175-V177 HydrophobicContact CD1-CG2 4.02Å; Y175-V177 HydrophobicContact CE1-CB 4.37Å; Y175-V177 HydrophobicContact CE1-CG2 3.94Å; V177-E180 WeakPolarHBondContact O-CG 3.27Å; V177-E207 WeakPolarHBondContact CG2-OE1 3.23Å
178	S	84.1	Confident	86.6	Confident	56 Å²	56	46.7 Å²	46.7	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.1	-179.9	-68.2	0	0	0	0	114	K104 C176	K104-S178 WeakPolarHBondContact CE-O 3.21Å; K104-S178 PolarHBondContact NZ-O 2.73Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 3.12Å; C176-S178 PolarHBondContact SG-N 2.67Å; C176-S178 VanDerWaalsContact SG-N 3.41Å
179	D	84.9	Confident	86.2	Confident	25 Å²	25	43 Å²	43	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-12.4	175.4	-54.6	-32.1	0	0	0	111.4	C176 A181 Y183 T202 N204 W283	C176-D179 HydrophobicContact CB-CB 3.93Å; C176-D179 PolarHBondContact O-N 3.04Å; C176-D179 PolarHBondContact SG-N 2.07Å; C176-D179 VanDerWaalsContact SG-N 3.41Å; C176-D179 PolarHBondContact SG-OD2 3.28Å; D179-A181 HydrophobicContact CB-CB 4.07Å; D179-A181 PolarHBondContact O-N 3.1Å; D179-Y183 HydrophobicContact CB-CE2 4.32Å; D179-Y183 PolarHBondContact OD2-OH 3.44Å; D179-T202 WeakPolarHBondContact OD2-CB 3.37Å; D179-T202 WeakPolarHBondContact OD2-CG2 3.28Å; D179-T202 PolarHBondContact OD2-OG1 3.33Å; D179-N204 PolarHBondContact OD1-ND2 2.87Å; D179-W283 PolarHBondContact O-NE1 3.14Å
180	E	85	Confident	85.8	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.023	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	46.3	-167.7	-60.2	-168.3	143.5	0	0	111.1	Y37 S103 K104 Y175 C176 V177 Y281 V282	Y37-E180 PolarHBondContact OH-OE1 3.31Å; Y37-E180 PolarHBondContact OH-OE2 3.07Å; S103-E180 PolarHBondContact N-OE1 2.83Å; K104-E180 HydrophobicContact CD-CG 4.26Å; K104-E180 PolarHBondContact N-OE1 3.06Å; Y175-E180 WeakPolarHBondContact OH-CA 3.36Å; C176-E180 VanDerWaalsContact O-CA 3.26Å; C176-E180 WeakPolarHBondContact O-CA 3.43Å; C176-E180 PolarHBondContact O-N 2.84Å; V177-E180 WeakPolarHBondContact O-CG 3.27Å; E180-Y281 WeakPolarHBondContact O-CE2 3.44Å; E180-Y281 VanDerWaalsContact O-CZ 3.26Å; E180-Y281 PolarHBondContact O-OH 2.8Å; E180-V282 HydrophobicContact CB-CG1 3.91Å; E180-V282 WeakPolarHBondContact OE2-CG1 3.28Å
181	A	86.5	Confident	85.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148	-171.7	0	0	0	0	0	111.9	C176 D179 Y183 F325	C176-A181 PolarHBondContact N-O 3.17Å; C176-A181 PolarHBondContact O-N 3.33Å; D179-A181 HydrophobicContact CB-CB 4.07Å; D179-A181 PolarHBondContact O-N 3.1Å; A181-Y183 HydrophobicContact CB-CE2 4.3Å; A181-F325 HydrophobicContact CB-CE1 4.47Å; A181-F325 HydrophobicContact CB-CZ 4.07Å
182	F	86.9	Confident	84.6	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	147.7	167.9	-69.6	-80.3	0	0	0	111.1	Y171 W174 Y175 R324	Y171-F182 HydrophobicContact CD1-CD1 4.24Å; Y171-F182 AromaticContact CD1-CE1 3.98Å; Y171-F182 HydrophobicContact CD1-CE1 3.98Å; Y171-F182 HydrophobicContact CD1-CZ 4.16Å; Y171-F182 HydrophobicContact CE1-CB 4.23Å; Y171-F182 AromaticContact CE1-CD1 3.39Å; Y171-F182 HydrophobicContact CE1-CD1 3.39Å; Y171-F182 HydrophobicContact CE1-CD2 4.2Å; Y171-F182 AromaticContact CE1-CE1 3.58Å; Y171-F182 HydrophobicContact CE1-CE1 3.58Å; Y171-F182 HydrophobicContact CE1-CE2 4.38Å; Y171-F182 AromaticContact CE1-CG 3.69Å; Y171-F182 HydrophobicContact CE1-CG 3.69Å; Y171-F182 HydrophobicContact CE1-CZ 4.08Å; W174-F182 CarbonylContact O-C 3.6Å; W174-F182 WeakPolarHBondContact O-CA 3.43Å; Y175-F182 AromaticContact CD2-CD1 3.66Å; Y175-F182 HydrophobicContact CD2-CD1 3.66Å; Y175-F182 AromaticContact CD2-CD2 3.84Å; Y175-F182 HydrophobicContact CD2-CD2 3.84Å; Y175-F182 AromaticContact CD2-CE1 3.58Å; Y175-F182 HydrophobicContact CD2-CE1 3.58Å; Y175-F182 AromaticContact CD2-CE2 3.73Å; Y175-F182 HydrophobicContact CD2-CE2 3.73Å; Y175-F182 AromaticContact CD2-CG 3.83Å; Y175-F182 HydrophobicContact CD2-CG 3.83Å; Y175-F182 AromaticContact CD2-CZ 3.62Å; Y175-F182 HydrophobicContact CD2-CZ 3.62Å; Y175-F182 HydrophobicContact CE2-CD2 4.24Å; Y175-F182 HydrophobicContact CE2-CE2 4.04Å; Y175-F182 HydrophobicContact CE2-CZ 4.25Å; Y175-F182 HydrophobicContact CG-CD1 4.22Å; Y175-F182 HydrophobicContact CG-CE1 4.05Å; Y175-F182 HydrophobicContact CG-CZ 4.38Å; F182-R324 PolarHBondContact O-NH2 2.88Å
183	Y	85.8	Confident	83.7	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.4	-178.9	-74.2	-74.8	0	0	0	110.2	W174 C176 D179 A181 E187 I188 S199 E201 V206	W174-Y183 PolarHBondContact O-N 3Å; C176-Y183 HydrophobicContact CB-CD2 4.05Å; C176-Y183 HydrophobicContact CB-CE2 3.7Å; D179-Y183 HydrophobicContact CB-CE2 4.32Å; D179-Y183 PolarHBondContact OD2-OH 3.44Å; A181-Y183 HydrophobicContact CB-CE2 4.3Å; Y183-E187 HydrophobicContact CD1-CB 3.78Å; Y183-E187 HydrophobicContact CD1-CG 4.45Å; Y183-E187 HydrophobicContact CG-CB 4.48Å; Y183-I188 VanDerWaalsContact CB-CD1 3.49Å; Y183-I188 HydrophobicContact CD2-CD1 4.48Å; Y183-I188 HydrophobicContact CG-CD1 4.05Å; Y183-S199 WeakPolarHBondContact CE1-OG 3.48Å; Y183-S199 PolarHBondContact OH-OG 3.08Å; Y183-E201 HydrophobicContact CE1-CB 4.39Å; Y183-E201 WeakPolarHBondContact CE1-OE2 3.24Å; Y183-E201 PolarHBondContact OH-OE2 3.31Å; Y183-V206 HydrophobicContact CD2-CG1 4.15Å
184	T	83.4	Confident	83.2	Confident	15 Å²	15	54.9 Å²	54.9	9%	0.092	29%	0.29	C	S	.	.			trans	-78	157.6	172.6	65	0	0	0	0	110.4	W186 E187 Q255	T184-W186 PolarHBondContact O-N 3.4Å; T184-E187 WeakPolarHBondContact CB-OE2 3.2Å; T184-E187 PolarHBondContact N-OE2 2.82Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 WeakPolarHBondContact OG1-CG 3.39Å; T184-E187 PolarHBondContact OG1-OE2 2.78Å; T184-Q255 HydrophobicContact CG2-CG 4.12Å
185	P	83.9	Confident	82.8	Confident	77 Å²	77	55.9 Å²	55.9	50%	0.5	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.2	178.3	-29	36.1	0	0	0	114.4	E187 I188	P185-E187 VanDerWaalsContact C-N 3.32Å; P185-E187 PolarHBondContact O-N 3.34Å; P185-I188 PolarHBondContact O-N 2.94Å
186	W	84.1	Confident	82.6	Confident	208 Å²	208	58.6 Å²	58.6	79%	0.788	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-72.4	-24.3	179.1	-49.5	100.3	0	0	0	113.5	T184 I188 K200	T184-W186 PolarHBondContact O-N 3.4Å; W186-I188 VanDerWaalsContact C-N 3.29Å; W186-K200 PolarHBondContact O-NZ 2.95Å
187	E	84.9	Confident	82.6	Confident	54 Å²	54	59.9 Å²	59.9	25%	0.252	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-86.7	-3.3	177.9	-65.9	167.3	126.5	0	0	112.3	Y183 T184 P185 K200	Y183-E187 HydrophobicContact CD1-CB 3.78Å; Y183-E187 HydrophobicContact CD1-CG 4.45Å; Y183-E187 HydrophobicContact CG-CB 4.48Å; T184-E187 WeakPolarHBondContact CB-OE2 3.2Å; T184-E187 PolarHBondContact N-OE2 2.82Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-E187 WeakPolarHBondContact OG1-CG 3.39Å; T184-E187 PolarHBondContact OG1-OE2 2.78Å; P185-E187 VanDerWaalsContact C-N 3.32Å; P185-E187 PolarHBondContact O-N 3.34Å; E187-K200 WeakPolarHBondContact O-CB 3.46Å; E187-K200 WeakPolarHBondContact O-CG 3.35Å; E187-K200 PolarHBondContact O-N 3.16Å
188	I	88.6	Confident	82.9	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.5	179.5	-58.5	-50.1	0	0	0	110.4	W174 Y183 P185 W186 E190 P197 V198 K200 V206	W174-I188 HydrophobicContact CB-CD1 4.09Å; W174-I188 HydrophobicContact CB-CG1 3.93Å; W174-I188 HydrophobicContact CG-CD1 4.48Å; W174-I188 HydrophobicContact CG-CG1 3.83Å; Y183-I188 VanDerWaalsContact CB-CD1 3.49Å; Y183-I188 HydrophobicContact CD2-CD1 4.48Å; Y183-I188 HydrophobicContact CG-CD1 4.05Å; P185-I188 PolarHBondContact O-N 2.94Å; W186-I188 VanDerWaalsContact C-N 3.29Å; I188-E190 HydrophobicContact CG2-CG 4.09Å; I188-P197 HydrophobicContact CG2-CB 3.61Å; I188-V198 CarbonylContact C-O 3.6Å; I188-V198 WeakPolarHBondContact CA-O 3.13Å; I188-K200 WeakPolarHBondContact O-CE 3.3Å; I188-K200 PolarHBondContact O-NZ 3.46Å; I188-V206 HydrophobicContact CD1-CB 4.22Å; I188-V206 HydrophobicContact CD1-CG1 3.75Å; I188-V206 HydrophobicContact CD1-CG2 3.65Å; I188-V206 HydrophobicContact CG1-CG2 4.19Å; I188-V206 HydrophobicContact CG2-CG2 4.05Å
189	D	87	Confident	83	Confident	55 Å²	55	56.7 Å²	56.7	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.6	164.2	-176.2	6	0	0	0	109.1	T191 V198 K200	D189-T191 VanDerWaalsContact C-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CA 3.45Å; D189-T191 WeakPolarHBondContact OD1-CB 3.44Å; D189-T191 PolarHBondContact OD1-N 3.32Å; D189-T191 PolarHBondContact OD1-OG1 2.84Å; D189-V198 HydrophobicContact CB-CG2 3.97Å; D189-V198 PolarHBondContact N-O 3.05Å; D189-V198 PolarHBondContact O-N 3.38Å; D189-K200 HydrophobicContact CB-CG 4.02Å
190	E	83.2	Confident	83	Confident	126 Å²	126	61.9 Å²	61.9	59%	0.589	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	174.6	-65.5	-176.8	-177	0	0	112.3	I188 S192 P197	I188-E190 HydrophobicContact CG2-CG 4.09Å; E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.4Å; E190-P197 HydrophobicContact CG-CB 4.39Å
191	T	77.1	Confident	82.8	Confident	122 Å²	122	64.6 Å²	64.6	75%	0.748	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	17	-177.9	66.5	0	0	0	0	113.5	D189	D189-T191 VanDerWaalsContact C-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CA 3.45Å; D189-T191 WeakPolarHBondContact OD1-CB 3.44Å; D189-T191 PolarHBondContact OD1-N 3.32Å; D189-T191 PolarHBondContact OD1-OG1 2.84Å
192	S	67.7	Low	82.6	Confident	19 Å²	19	66.4 Å²	66.4	13%	0.133	36%	0.363	C	S	.	.			trans	-58.3	143.3	-177.7	99.3	0	0	0	0	111.5	E190 S194 G195 V196	E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.4Å; S192-S194 PolarHBondContact O-N 3.33Å; S192-S194 PolarHBondContact OG-N 3.04Å; S192-S194 PolarHBondContact OG-OG 2.7Å; S192-G195 PolarHBondContact O-N 2.97Å; S192-V196 WeakPolarHBondContact CB-O 2.86Å; S192-V196 PolarHBondContact OG-O 3.44Å
193	L	66.2	Low	82.4	Confident	198 Å²	198	68.2 Å²	68.2	100%	1.037	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.6	177.8	-83.7	144.1	0	0	0	114
194	S	75.1	Confident	82.6	Confident	90 Å²	90	70.5 Å²	70.5	63%	0.629	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.6	-177.9	69.4	0	0	0	0	114.4	S192 V196	S192-S194 PolarHBondContact O-N 3.33Å; S192-S194 PolarHBondContact OG-N 3.04Å; S192-S194 PolarHBondContact OG-OG 2.7Å; S194-V196 PolarHBondContact O-N 3.34Å; S194-V196 PolarHBondContact OG-N 3.14Å
195	G	79.8	Confident	82.9	Confident	64 Å²	64	73.1 Å²	73.1	66%	0.66	41%	0.414	S	S	*	.	S	Bend	trans	74.5	-1.4	-172.3	0	0	0	0	0	114.8	S192	S192-G195 PolarHBondContact O-N 2.97Å
196	V	85.9	Confident	83.2	Confident	66 Å²	66	69.9 Å²	69.9	40%	0.4	39%	0.393	S	S	.	.	S	Bend	trans	-95.1	129.9	173.8	-178.6	0	0	0	0	108.8	S192 S194 P205	S192-V196 WeakPolarHBondContact CB-O 2.86Å; S192-V196 PolarHBondContact OG-O 3.44Å; S194-V196 PolarHBondContact O-N 3.34Å; S194-V196 PolarHBondContact OG-N 3.14Å; V196-P205 HydrophobicContact CG1-CB 3.91Å
197	P	89.6	Confident	83.6	Confident	27 Å²	27	64.6 Å²	64.6	18%	0.175	38%	0.377	C	S	.	.			trans	-59.1	139.5	175.6	-22.1	32.8	0	0	0	111.7	W174 I188 E190 P205 V206	W174-P197 HydrophobicContact CH2-CB 4.42Å; W174-P197 HydrophobicContact CH2-CG 3.88Å; W174-P197 HydrophobicContact CZ3-CB 4.26Å; W174-P197 HydrophobicContact CZ3-CG 3.95Å; I188-P197 HydrophobicContact CG2-CB 3.61Å; E190-P197 HydrophobicContact CG-CB 4.39Å; P197-P205 WeakPolarHBondContact O-CA 3.43Å; P197-V206 HydrophobicContact CB-CG2 3.72Å; P197-V206 WeakPolarHBondContact O-CG2 3.5Å; P197-V206 PolarHBondContact O-N 2.8Å
198	V	90.8	Very high	83.8	Confident	20 Å²	20	67.9 Å²	67.9	12%	0.121	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.4	-179.3	-59.9	0	0	0	0	112.3	I188 D189 N204	I188-V198 CarbonylContact C-O 3.6Å; I188-V198 WeakPolarHBondContact CA-O 3.13Å; D189-V198 HydrophobicContact CB-CG2 3.97Å; D189-V198 PolarHBondContact N-O 3.05Å; D189-V198 PolarHBondContact O-N 3.38Å; V198-N204 CarbonylContact C-O 3.59Å; V198-N204 VanDerWaalsContact CA-O 3.26Å; V198-N204 WeakPolarHBondContact CA-O 3.48Å
199	S	87.3	Confident	83.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.6	169.8	167.2	0	0	0	0	110.9	Y183 E201 T202 G203 N204	Y183-S199 WeakPolarHBondContact CE1-OG 3.48Å; Y183-S199 PolarHBondContact OH-OG 3.08Å; S199-E201 PolarHBondContact O-N 3.45Å; S199-E201 PolarHBondContact OG-N 3.13Å; S199-T202 WeakPolarHBondContact CB-OG1 3.36Å; S199-T202 PolarHBondContact OG-N 2.62Å; S199-T202 PolarHBondContact OG-OG1 2.74Å; S199-G203 WeakPolarHBondContact O-CA 3.17Å; S199-G203 PolarHBondContact O-N 3.43Å; S199-N204 PolarHBondContact N-O 3.46Å
200	K	84.9	Confident	83.8	Confident	133 Å²	133	72.6 Å²	72.6	58%	0.578	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.2	172.2	-72.3	175.8	179.7	162.2	0	112.7	W186 E187 I188 D189	W186-K200 PolarHBondContact O-NZ 2.95Å; E187-K200 WeakPolarHBondContact O-CB 3.46Å; E187-K200 WeakPolarHBondContact O-CG 3.35Å; E187-K200 PolarHBondContact O-N 3.16Å; I188-K200 WeakPolarHBondContact O-CE 3.3Å; I188-K200 PolarHBondContact O-NZ 3.46Å; D189-K200 HydrophobicContact CB-CG 4.02Å
201	E	80.9	Confident	84	Confident	63 Å²	63	67.6 Å²	67.6	29%	0.294	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-48	-178.3	-179	-174.3	-168.6	0	0	111.3	Y183 S199 M250 R324	Y183-E201 HydrophobicContact CE1-CB 4.39Å; Y183-E201 WeakPolarHBondContact CE1-OE2 3.24Å; Y183-E201 PolarHBondContact OH-OE2 3.31Å; S199-E201 PolarHBondContact O-N 3.45Å; S199-E201 PolarHBondContact OG-N 3.13Å; E201-M250 WeakPolarHBondContact OE1-CE 3.49Å; E201-R324 IonicContact OE2-NH1 2.77Å
202	T	81.3	Confident	84.6	Confident	38 Å²	38	66.4 Å²	66.4	23%	0.233	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.8	-169	63.1	0	0	0	0	113.5	D179 S199 N204	D179-T202 WeakPolarHBondContact OD2-CB 3.37Å; D179-T202 WeakPolarHBondContact OD2-CG2 3.28Å; D179-T202 PolarHBondContact OD2-OG1 3.33Å; S199-T202 WeakPolarHBondContact CB-OG1 3.36Å; S199-T202 PolarHBondContact OG-N 2.62Å; S199-T202 PolarHBondContact OG-OG1 2.74Å; T202-N204 PolarHBondContact O-N 2.85Å; T202-N204 WeakPolarHBondContact OG1-CB 3.35Å; T202-N204 PolarHBondContact OG1-N 3.31Å; T202-N204 PolarHBondContact OG1-ND2 3.19Å
203	G	84.1	Confident	85.8	Confident	48 Å²	48	65.6 Å²	65.6	50%	0.495	36%	0.364	S	S	.	.			trans	73.2	6.8	-171.5	0	0	0	0	0	114	S199	S199-G203 WeakPolarHBondContact O-CA 3.17Å; S199-G203 PolarHBondContact O-N 3.43Å
204	N	88.3	Confident	87.3	Confident	51 Å²	51	57.5 Å²	57.5	27%	0.273	32%	0.32	S	S	.	.			trans	-83.4	146.2	-176.3	-70.8	-37.1	0	0	0	112	C176 D179 V198 S199 T202	C176-N204 WeakPolarHBondContact SG-CB 3.27Å; D179-N204 PolarHBondContact OD1-ND2 2.87Å; V198-N204 CarbonylContact C-O 3.59Å; V198-N204 VanDerWaalsContact CA-O 3.26Å; V198-N204 WeakPolarHBondContact CA-O 3.48Å; S199-N204 PolarHBondContact N-O 3.46Å; T202-N204 PolarHBondContact O-N 2.85Å; T202-N204 WeakPolarHBondContact OG1-CB 3.35Å; T202-N204 PolarHBondContact OG1-N 3.31Å; T202-N204 PolarHBondContact OG1-ND2 3.19Å
205	P	90.3	Very high	88.2	Confident	70 Å²	70	53.4 Å²	53.4	46%	0.455	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-64.7	147	-179.6	27.4	-35.1	0	0	0	112.3	C176 V196 P197	C176-P205 PolarHBondContact SG-O 2.8Å; V196-P205 HydrophobicContact CG1-CB 3.91Å; P197-P205 WeakPolarHBondContact O-CA 3.43Å
206	V	91.5	Very high	89.1	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	26%	0.26	C	S	.	.			trans	-123.7	153.4	177.6	-57.6	0	0	0	0	112.1	W174 Y175 C176 Y183 I188 P197	W174-V206 HydrophobicContact CB-CB 4.2Å; W174-V206 HydrophobicContact CB-CG2 4.02Å; W174-V206 HydrophobicContact CD2-CG2 4.07Å; W174-V206 HydrophobicContact CE3-CB 4.38Å; W174-V206 HydrophobicContact CE3-CG2 3.66Å; W174-V206 HydrophobicContact CG-CG2 4.26Å; W174-V206 HydrophobicContact CZ3-CG2 4.43Å; Y175-V206 CarbonylContact O-C 3.6Å; Y175-V206 VanDerWaalsContact O-CA 3.27Å; Y175-V206 WeakPolarHBondContact O-CA 3.32Å; C176-V206 HydrophobicContact CB-CG1 3.89Å; Y183-V206 HydrophobicContact CD2-CG1 4.15Å; I188-V206 HydrophobicContact CD1-CB 4.22Å; I188-V206 HydrophobicContact CD1-CG1 3.75Å; I188-V206 HydrophobicContact CD1-CG2 3.65Å; I188-V206 HydrophobicContact CG1-CG2 4.19Å; I188-V206 HydrophobicContact CG2-CG2 4.05Å; P197-V206 HydrophobicContact CB-CG2 3.72Å; P197-V206 WeakPolarHBondContact O-CG2 3.5Å; P197-V206 PolarHBondContact O-N 2.8Å
207	E	90.6	Very high	89.6	Confident	96 Å²	96	50.9 Å²	50.9	45%	0.449	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.6	177.3	61.7	-174.1	-177.9	0	0	110.6	W174 Y175 V177 I209	W174-E207 CarbonylContact C-O 3.58Å; W174-E207 WeakPolarHBondContact CA-O 3.35Å; Y175-E207 PolarHBondContact N-O 2.85Å; Y175-E207 PolarHBondContact O-N 2.99Å; V177-E207 WeakPolarHBondContact CG2-OE1 3.23Å; E207-I209 HydrophobicContact CG-CD1 3.99Å; E207-I209 HydrophobicContact CG-CG1 4.03Å
208	W	89.7	Confident	90	Very high	123 Å²	123	50 Å²	50	47%	0.466	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.2	175.6	-172.6	-97.6	0	0	0	110.2	S172 W174 E210	S172-W208 VanDerWaalsContact CB-CZ2 3.43Å; W174-W208 AromaticContact CD1-CE3 3.99Å; W174-W208 AromaticContact CD1-CZ3 3.89Å; W174-W208 AromaticContact CD2-CE3 3.82Å; W174-W208 HydrophobicContact CD2-CE3 3.82Å; W174-W208 HydrophobicContact CD2-CZ3 4.47Å; W174-W208 AromaticContact CE2-CE3 3.75Å; W174-W208 HydrophobicContact CE3-CB 4.18Å; W174-W208 HydrophobicContact CE3-CE3 4.4Å; W174-W208 AromaticContact CG-CE3 4Å; W174-W208 HydrophobicContact CG-CE3 4Å; W174-W208 HydrophobicContact CG-CZ3 4.3Å; W174-W208 HydrophobicContact CH2-CB 4.45Å; W174-W208 HydrophobicContact CZ2-CE3 4.27Å; W174-W208 HydrophobicContact CZ3-CB 4.04Å; W174-W208 AromaticContact NE1-CE3 3.85Å; W174-W208 AromaticContact NE1-CZ3 3.82Å; W208-E210 PolarHBondContact NE1-OE1 3.41Å
209	I	86.5	Confident	90.2	Very high	26 Å²	26	51.4 Å²	51.4	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.5	179.9	-59	-178.6	0	0	0	109.1	S172 G173 Y175 E207 E211	S172-I209 CarbonylContact C-O 3.57Å; S172-I209 VanDerWaalsContact CA-O 3.23Å; S172-I209 WeakPolarHBondContact CA-O 3.3Å; G173-I209 PolarHBondContact N-O 3.34Å; G173-I209 PolarHBondContact O-N 3.14Å; Y175-I209 HydrophobicContact CD1-CD1 3.98Å; Y175-I209 HydrophobicContact CG-CD1 3.92Å; E207-I209 HydrophobicContact CG-CD1 3.99Å; E207-I209 HydrophobicContact CG-CG1 4.03Å; I209-E211 HydrophobicContact CG2-CG 3.99Å
210	E	88.3	Confident	90.7	Very high	134 Å²	134	54.8 Å²	54.8	63%	0.626	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.2	172.6	-47.7	-157.7	145.1	0	0	110.1	Y171 S172 W208	Y171-E210 CarbonylContact O-C 3.4Å; Y171-E210 WeakPolarHBondContact O-CA 3.45Å; S172-E210 VanDerWaalsContact OG-CG 3.22Å; S172-E210 WeakPolarHBondContact OG-CG 3.37Å; S172-E210 PolarHBondContact OG-OE1 2.81Å; S172-E210 VanDerWaalsContact OG-OE1 3.05Å; W208-E210 PolarHBondContact NE1-OE1 3.41Å
211	E	87.9	Confident	91.3	Very high	21 Å²	21	49.4 Å²	49.4	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.4	-177.1	49.8	-177.5	-160.8	0	0	111.7	Y171 I209 N213 P262 R265	Y171-E211 PolarHBondContact N-O 2.86Å; Y171-E211 PolarHBondContact O-N 3.16Å; I209-E211 HydrophobicContact CG2-CG 3.99Å; E211-N213 VanDerWaalsContact CD-ND2 3.32Å; E211-N213 VanDerWaalsContact CG-ND2 3.35Å; E211-N213 WeakPolarHBondContact CG-ND2 3.37Å; E211-N213 PolarHBondContact OE1-ND2 3.34Å; E211-P262 HydrophobicContact CB-CG 3.92Å; E211-P262 WeakPolarHBondContact OE2-CD 3.24Å; E211-R265 IonicContact OE1-NH1 2.68Å; E211-R265 PolarHBondContact OE1-NH1 2.74Å; E211-R265 VanDerWaalsContact OE2-CD 3.24Å; E211-R265 WeakPolarHBondContact OE2-CD 3.4Å; E211-R265 IonicContact OE2-NH1 3.68Å; E211-R265 PolarHBondContact OE2-NH1 3.14Å
212	E	90.7	Very high	92.1	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.9	172.8	-173	179.1	169.4	0	0	109.7	K170 Q278	K170-E212 HydrophobicContact CG-CB 4.4Å; E212-Q278 PolarHBondContact O-NE2 2.73Å
213	N	93	Very high	92.9	Very high	2 Å²	2	53 Å²	53	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167	-174.5	-67.3	-19.3	0	0	0	111.7	R168 S169 E211 S258 S260 P262	R168-N213 WeakPolarHBondContact CA-O 3.44Å; S169-N213 PolarHBondContact N-O 3.08Å; S169-N213 PolarHBondContact O-N 3.37Å; E211-N213 VanDerWaalsContact CD-ND2 3.32Å; E211-N213 VanDerWaalsContact CG-ND2 3.35Å; E211-N213 WeakPolarHBondContact CG-ND2 3.37Å; E211-N213 PolarHBondContact OE1-ND2 3.34Å; N213-S258 WeakPolarHBondContact CB-OG 3.46Å; N213-S258 PolarHBondContact ND2-OG 3.42Å; N213-S260 PolarHBondContact ND2-O 3.13Å; N213-P262 VanDerWaalsContact OD1-CD 3.23Å; N213-P262 WeakPolarHBondContact OD1-CD 3.32Å
214	Y	96	Very high	93.6	Very high	27 Å²	27	54 Å²	54	11%	0.106	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.1	163.1	-72.4	-91.4	0	0	0	109.8	W157 V166 R168 I259 S260 V272 D275 Q278	W157-Y214 HydrophobicContact CH2-CD1 4.47Å; W157-Y214 HydrophobicContact CH2-CD2 4.33Å; W157-Y214 AromaticContact CH2-CG 3.94Å; W157-Y214 HydrophobicContact CH2-CG 3.94Å; W157-Y214 AromaticContact CZ2-CD1 3.85Å; W157-Y214 HydrophobicContact CZ2-CD1 3.85Å; W157-Y214 HydrophobicContact CZ2-CD2 4.11Å; W157-Y214 HydrophobicContact CZ2-CE1 4.27Å; W157-Y214 AromaticContact CZ2-CG 3.71Å; W157-Y214 HydrophobicContact CZ2-CG 3.71Å; V166-Y214 HydrophobicContact CG1-CD1 3.68Å; V166-Y214 HydrophobicContact CG1-CG 4.4Å; R168-Y214 HydrophobicContact CG-CD1 3.93Å; R168-Y214 HydrophobicContact CG-CE1 3.86Å; R168-Y214 HydrophobicContact CG-CG 4.4Å; R168-Y214 VanDerWaalsContact NE-CZ 3.3Å; R168-Y214 PolarHBondContact NE-OH 3Å; R168-Y214 PolarHBondContact NH2-OH 2.83Å; Y214-I259 WeakPolarHBondContact O-CG1 3.5Å; Y214-I259 PolarHBondContact O-N 2.73Å; Y214-S260 WeakPolarHBondContact CB-OG 3.28Å; Y214-S260 WeakPolarHBondContact CD2-OG 3.43Å; Y214-S260 PolarHBondContact N-OG 3.5Å; Y214-S260 PolarHBondContact O-N 3.21Å; Y214-V272 HydrophobicContact CD2-CG1 4.28Å; Y214-V272 HydrophobicContact CD2-CG2 4.41Å; Y214-V272 HydrophobicContact CE2-CG1 3.82Å; Y214-D275 HydrophobicContact CE2-CB 4.26Å; Y214-Q278 HydrophobicContact CD2-CB 4.4Å; Y214-Q278 HydrophobicContact CD2-CG 4.2Å; Y214-Q278 HydrophobicContact CE2-CB 4.25Å; Y214-Q278 HydrophobicContact CE2-CG 4.02Å
215	M	95.3	Very high	94.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.1	-179.6	-59.6	-58.2	-65.2	0	0	110.2	V166 Y167 Y171 D256 I257	V166-M215 WeakPolarHBondContact CA-O 3.41Å; Y167-M215 HydrophobicContact CD1-CB 3.96Å; Y167-M215 HydrophobicContact CD2-CB 4.16Å; Y167-M215 HydrophobicContact CE1-CB 3.49Å; Y167-M215 VanDerWaalsContact CE1-CB 3.49Å; Y167-M215 HydrophobicContact CE2-CB 3.72Å; Y167-M215 HydrophobicContact CE2-CG 3.97Å; Y167-M215 HydrophobicContact CG-CB 4.27Å; Y167-M215 PolarHBondContact N-O 2.95Å; Y167-M215 PolarHBondContact O-N 3.28Å; Y171-M215 HydrophobicContact CD2-CE 3.34Å; Y171-M215 HydrophobicContact CD2-SD 3.83Å; Y171-M215 HydrophobicContact CE2-CE 3.76Å; Y171-M215 HydrophobicContact CG-CE 4.16Å; Y171-M215 HydrophobicContact CG-SD 4.08Å; M215-D256 HydrophobicContact CE-CB 4.47Å; M215-I257 CarbonylContact C-O 3.58Å; M215-I257 WeakPolarHBondContact CA-O 3.35Å; M215-I257 VanDerWaalsContact CE-C 3.47Å
216	F	97.5	Very high	94.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.2	170.3	173.5	-125.5	0	0	0	110.3	L160 N165 L218 F221 D256 I257 I259 L329 A332 L333 A336	L160-F216 HydrophobicContact CD1-CD2 4.12Å; L160-F216 HydrophobicContact CD1-CE2 3.82Å; L160-F216 HydrophobicContact CD2-CD2 4.25Å; N165-F216 HydrophobicContact CB-CD2 4.13Å; N165-F216 HydrophobicContact CB-CE2 3.89Å; N165-F216 WeakPolarHBondContact O-CA 3.45Å; F216-L218 HydrophobicContact CD1-CB 3.87Å; F216-L218 HydrophobicContact CE1-CB 3.98Å; F216-L218 HydrophobicContact CE1-CD1 4.06Å; F216-L218 PolarHBondContact O-N 3.42Å; F216-F221 HydrophobicContact CE2-CD2 4.44Å; F216-F221 AromaticContact CE2-CE2 3.84Å; F216-F221 HydrophobicContact CE2-CE2 3.84Å; F216-F221 AromaticContact CZ-CD2 3.85Å; F216-F221 HydrophobicContact CZ-CD2 3.85Å; F216-F221 AromaticContact CZ-CE2 3.68Å; F216-F221 HydrophobicContact CZ-CE2 3.68Å; F216-F221 HydrophobicContact CZ-CZ 4.5Å; F216-D256 VanDerWaalsContact O-CA 3.28Å; F216-D256 WeakPolarHBondContact O-CA 3.36Å; F216-D256 WeakPolarHBondContact O-CB 3.4Å; F216-I257 HydrophobicContact CB-CG2 4.16Å; F216-I257 HydrophobicContact CD1-CG2 4.11Å; F216-I257 PolarHBondContact N-O 3.1Å; F216-I257 PolarHBondContact O-N 3.46Å; F216-I257 VanDerWaalsContact O-N 3.11Å; F216-I259 HydrophobicContact CB-CD1 4.07Å; F216-I259 HydrophobicContact CB-CG1 4.19Å; F216-I259 HydrophobicContact CB-CG2 3.61Å; F216-L329 HydrophobicContact CD1-CD1 4.26Å; F216-A332 HydrophobicContact CE1-CB 3.77Å; F216-A332 HydrophobicContact CZ-CB 4.03Å; F216-L333 HydrophobicContact CD1-CD2 3.95Å; F216-L333 HydrophobicContact CD2-CD2 4.3Å; F216-L333 HydrophobicContact CE1-CD2 3.93Å; F216-L333 HydrophobicContact CE1-CG 4.31Å; F216-L333 HydrophobicContact CE2-CD2 4.3Å; F216-L333 HydrophobicContact CG-CD2 4.15Å; F216-L333 HydrophobicContact CZ-CD2 4.12Å; F216-A336 HydrophobicContact CE2-CB 3.72Å; F216-A336 HydrophobicContact CZ-CB 4Å
217	K	97.2	Very high	94.8	Very high	77 Å²	77	56.1 Å²	56.1	34%	0.335	27%	0.272	S	S	.	.			trans	-70.9	54	177.6	-65.5	-177.9	-174	162.4	0	113.2	G164 N165 Y167 S219 S220 F221 D256	G164-K217 PolarHBondContact O-NZ 3.2Å; N165-K217 PolarHBondContact O-N 3.33Å; Y167-K217 HydrophobicContact CD1-CD 4.49Å; Y167-K217 HydrophobicContact CD1-CG 3.79Å; Y167-K217 HydrophobicContact CE1-CG 3.68Å; K217-S219 PolarHBondContact O-N 3.16Å; K217-S220 PolarHBondContact O-N 3.23Å; K217-S220 PolarHBondContact O-OG 2.86Å; K217-F221 VanDerWaalsContact O-CD2 3.29Å; K217-F221 WeakPolarHBondContact O-CD2 3.14Å; K217-F221 WeakPolarHBondContact O-CE2 3.49Å; K217-D256 WeakPolarHBondContact CA-OD1 3.36Å
218	L	97.2	Very high	95.2	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.4	-35.2	-179.5	175.6	59.1	0	0	0	111.9	F216 S220 F221 L225 Q255 D256 I257 V328 A332	F216-L218 HydrophobicContact CD1-CB 3.87Å; F216-L218 HydrophobicContact CE1-CB 3.98Å; F216-L218 HydrophobicContact CE1-CD1 4.06Å; F216-L218 PolarHBondContact O-N 3.42Å; L218-S220 PolarHBondContact O-N 3.19Å; L218-S220 VanDerWaalsContact O-N 3.16Å; L218-F221 PolarHBondContact O-N 3.33Å; L218-F221 VanDerWaalsContact O-N 3.08Å; L218-L225 HydrophobicContact CD1-CD1 4.21Å; L218-Q255 WeakPolarHBondContact CB-O 3.41Å; L218-D256 PolarHBondContact N-OD1 3.42Å; L218-I257 HydrophobicContact CB-CG2 4.22Å; L218-I257 HydrophobicContact CD2-CG2 4.2Å; L218-V328 HydrophobicContact CD1-CG1 4.19Å; L218-V328 HydrophobicContact CD2-CG1 4.14Å; L218-A332 HydrophobicContact CD1-CB 3.31Å
219	S	95.6	Very high	95.6	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.8	-25.4	-178.3	64.8	0	0	0	0	114	K217 F221 K222 D256	K217-S219 PolarHBondContact O-N 3.16Å; S219-F221 VanDerWaalsContact C-N 3.26Å; S219-F221 PolarHBondContact O-N 3.21Å; S219-K222 WeakPolarHBondContact O-CG 3.46Å; S219-D256 WeakPolarHBondContact CB-OD1 3.34Å; S219-D256 PolarHBondContact N-OD1 3.08Å; S219-D256 PolarHBondContact OG-OD1 3.43Å
220	S	97.3	Very high	96.1	Very high	70 Å²	70	50.2 Å²	50.2	49%	0.49	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-74.1	-14.7	178.2	60.7	0	0	0	0	113.8	K217 L218	K217-S220 PolarHBondContact O-N 3.23Å; K217-S220 PolarHBondContact O-OG 2.86Å; L218-S220 PolarHBondContact O-N 3.19Å; L218-S220 VanDerWaalsContact O-N 3.16Å
221	F	98.2	Very high	96.4	Very high	21 Å²	21	47.8 Å²	47.8	9%	0.092	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-98.4	-1.5	-175.7	-64.3	-84.4	0	0	0	114	F216 K217 L218 S219 N223 D224 L225 A332 M335 A336	F216-F221 HydrophobicContact CE2-CD2 4.44Å; F216-F221 AromaticContact CE2-CE2 3.84Å; F216-F221 HydrophobicContact CE2-CE2 3.84Å; F216-F221 AromaticContact CZ-CD2 3.85Å; F216-F221 HydrophobicContact CZ-CD2 3.85Å; F216-F221 AromaticContact CZ-CE2 3.68Å; F216-F221 HydrophobicContact CZ-CE2 3.68Å; F216-F221 HydrophobicContact CZ-CZ 4.5Å; K217-F221 VanDerWaalsContact O-CD2 3.29Å; K217-F221 WeakPolarHBondContact O-CD2 3.14Å; K217-F221 WeakPolarHBondContact O-CE2 3.49Å; L218-F221 PolarHBondContact O-N 3.33Å; L218-F221 VanDerWaalsContact O-N 3.08Å; S219-F221 VanDerWaalsContact C-N 3.26Å; S219-F221 PolarHBondContact O-N 3.21Å; F221-N223 VanDerWaalsContact C-N 3.33Å; F221-N223 PolarHBondContact O-N 3.14Å; F221-D224 PolarHBondContact O-N 2.6Å; F221-D224 VanDerWaalsContact O-N 3.1Å; F221-L225 HydrophobicContact CB-CD1 4.27Å; F221-L225 HydrophobicContact CB-CG 4.31Å; F221-L225 VanDerWaalsContact O-CG 3.32Å; F221-L225 WeakPolarHBondContact O-CG 3.28Å; F221-L225 PolarHBondContact O-N 2.93Å; F221-A332 HydrophobicContact CB-CB 4.1Å; F221-A332 HydrophobicContact CD2-CB 4.48Å; F221-A332 HydrophobicContact CG-CB 4.31Å; F221-M335 HydrophobicContact CB-SD 4.42Å; F221-M335 HydrophobicContact CD1-CB 3.67Å; F221-M335 HydrophobicContact CD1-SD 4.12Å; F221-M335 HydrophobicContact CE1-CB 3.83Å; F221-A336 HydrophobicContact CE1-CB 4.06Å; F221-A336 HydrophobicContact CE2-CB 4.03Å; F221-A336 HydrophobicContact CZ-CB 3.46Å; F221-A336 VanDerWaalsContact CZ-CB 3.46Å
222	K	98.1	Very high	96.7	Very high	56 Å²	56	47.9 Å²	47.9	24%	0.243	26%	0.256	C	S	.	.	H	α-helix	trans	-50.9	-47.9	-174.5	-70.1	-175.6	-179.9	-166.9	0	114	S219 D224 L225 H226 V251 G252 S254	S219-K222 WeakPolarHBondContact O-CG 3.46Å; K222-D224 VanDerWaalsContact C-N 3.34Å; K222-D224 PolarHBondContact O-N 2.99Å; K222-L225 PolarHBondContact O-N 3.38Å; K222-H226 PolarHBondContact O-CD2 2.89Å; K222-H226 PolarHBondContact O-N 3.33Å; K222-V251 HydrophobicContact CB-CG1 4.05Å; K222-V251 WeakPolarHBondContact CE-O 3.42Å; K222-V251 HydrophobicContact CG-CG1 4.22Å; K222-V251 WeakPolarHBondContact O-CG1 3.25Å; K222-G252 PolarHBondContact NZ-O 2.97Å; K222-S254 WeakPolarHBondContact CE-O 3.47Å; K222-S254 VanDerWaalsContact CE-OG 3.3Å; K222-S254 WeakPolarHBondContact CE-OG 3.31Å; K222-S254 PolarHBondContact NZ-O 3.49Å
223	N	98.2	Very high	97	Very high	119 Å²	119	43.2 Å²	43.2	64%	0.636	23%	0.234	S	C	*	.	H	α-helix	trans	-64.7	-39.8	-177.5	-70.5	-24.1	0	0	0	112	F221 K227	F221-N223 VanDerWaalsContact C-N 3.33Å; F221-N223 PolarHBondContact O-N 3.14Å; N223-K227 WeakPolarHBondContact O-CG 3.36Å; N223-K227 PolarHBondContact O-N 3.24Å
224	D	98.5	Very high	97.1	Very high	69 Å²	69	43.4 Å²	43.4	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-76.9	-32.3	-179.3	-61	-44.1	0	0	0	111.7	F221 K222 K227 W228 M335	F221-D224 PolarHBondContact O-N 2.6Å; F221-D224 VanDerWaalsContact O-N 3.1Å; K222-D224 VanDerWaalsContact C-N 3.34Å; K222-D224 PolarHBondContact O-N 2.99Å; D224-K227 PolarHBondContact O-N 2.92Å; D224-K227 IonicContact OD1-NZ 2.72Å; D224-K227 PolarHBondContact OD1-NZ 2.65Å; D224-W228 WeakPolarHBondContact O-CB 3.26Å; D224-W228 PolarHBondContact O-N 3.43Å; D224-M335 HydrophobicContact CB-CE 4.09Å; D224-M335 HydrophobicContact CB-SD 3.79Å; D224-M335 WeakPolarHBondContact O-CE 3.45Å
225	L	98.6	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-46.5	169.8	-71.4	171.9	0	0	0	111.7	L218 F221 K222 K227 W228 L229 V251 V328 P331 A332 M335	L218-L225 HydrophobicContact CD1-CD1 4.21Å; F221-L225 HydrophobicContact CB-CD1 4.27Å; F221-L225 HydrophobicContact CB-CG 4.31Å; F221-L225 VanDerWaalsContact O-CG 3.32Å; F221-L225 WeakPolarHBondContact O-CG 3.28Å; F221-L225 PolarHBondContact O-N 2.93Å; K222-L225 PolarHBondContact O-N 3.38Å; L225-K227 PolarHBondContact O-N 3.13Å; L225-W228 PolarHBondContact O-N 2.99Å; L225-L229 WeakPolarHBondContact O-CG 3.25Å; L225-L229 PolarHBondContact O-N 3.1Å; L225-V251 HydrophobicContact CB-CG1 3.76Å; L225-V251 HydrophobicContact CB-CG2 3.89Å; L225-V251 HydrophobicContact CD1-CG1 4.07Å; L225-V251 HydrophobicContact CD1-CG2 4.07Å; L225-V328 HydrophobicContact CD1-CG1 4.21Å; L225-P331 HydrophobicContact CD2-CB 3.74Å; L225-P331 HydrophobicContact CD2-CG 3.57Å; L225-A332 HydrophobicContact CD1-CB 4.17Å; L225-A332 HydrophobicContact CD2-CB 4.27Å; L225-M335 HydrophobicContact CD2-CE 3.93Å; L225-M335 HydrophobicContact CD2-SD 4.18Å; L225-M335 HydrophobicContact CG-CE 4.38Å; L225-M335 HydrophobicContact CG-SD 4.35Å
226	H	98.5	Very high	96.4	Very high	46 Å²	46	49.7 Å²	49.7	21%	0.213	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175.6	-75.3	-51.1	0	0	0	112.2	K222 W228 L229 D230 H248	K222-H226 PolarHBondContact O-CD2 2.89Å; K222-H226 PolarHBondContact O-N 3.33Å; H226-W228 VanDerWaalsContact C-N 3.29Å; H226-W228 PolarHBondContact O-N 2.94Å; H226-L229 PolarHBondContact O-N 2.74Å; H226-D230 PolarHBondContact O-N 3.14Å; H226-H248 AromaticContact CE1-ND1 3.62Å; H226-H248 PolarHBondContact CE1-O 2.67Å; H226-H248 VanDerWaalsContact CE1-O 3.25Å; H226-H248 AromaticContact CG-ND1 3.83Å; H226-H248 AromaticContact ND1-CE1 3.74Å; H226-H248 AromaticContact ND1-CG 3.69Å; H226-H248 AromaticContact ND1-ND1 2.86Å; H226-H248 PolarHBondContact ND1-ND1 3.41Å
227	K	98.4	Very high	95.4	Very high	130 Å²	130	54.2 Å²	54.2	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-59	-39.7	175.1	-67.8	170.8	-162.9	157.7	0	112.4	N223 D224 L225 D230 S231	N223-K227 WeakPolarHBondContact O-CG 3.36Å; N223-K227 PolarHBondContact O-N 3.24Å; D224-K227 PolarHBondContact O-N 2.92Å; D224-K227 IonicContact OD1-NZ 2.72Å; D224-K227 PolarHBondContact OD1-NZ 2.65Å; L225-K227 PolarHBondContact O-N 3.13Å; K227-D230 PolarHBondContact O-N 2.92Å; K227-S231 PolarHBondContact O-N 3.41Å
228	W	98.2	Very high	94.7	Very high	22 Å²	22	51.3 Å²	51.3	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-41	177.2	170.5	71.9	0	0	0	112	D224 L225 H226 D230 S231 V233 P331 M335 L341 P342 L345	D224-W228 WeakPolarHBondContact O-CB 3.26Å; D224-W228 PolarHBondContact O-N 3.43Å; L225-W228 PolarHBondContact O-N 2.99Å; H226-W228 VanDerWaalsContact C-N 3.29Å; H226-W228 PolarHBondContact O-N 2.94Å; W228-D230 VanDerWaalsContact C-N 3.3Å; W228-D230 PolarHBondContact O-N 3.39Å; W228-S231 VanDerWaalsContact O-CB 3.25Å; W228-S231 WeakPolarHBondContact O-CB 3.4Å; W228-S231 PolarHBondContact O-N 3.46Å; W228-S231 VanDerWaalsContact O-N 3.13Å; W228-S231 PolarHBondContact O-OG 2.79Å; W228-V233 HydrophobicContact CD2-CG1 4.49Å; W228-V233 HydrophobicContact CE3-CG1 4.45Å; W228-V233 HydrophobicContact CH2-CG1 4.33Å; W228-V233 HydrophobicContact CH2-CG2 3.93Å; W228-V233 HydrophobicContact CZ2-CB 4.19Å; W228-V233 HydrophobicContact CZ2-CG1 4.37Å; W228-V233 HydrophobicContact CZ2-CG2 3.43Å; W228-V233 VanDerWaalsContact CZ2-CG2 3.43Å; W228-V233 HydrophobicContact CZ3-CG1 4.34Å; W228-P331 HydrophobicContact CD2-CB 4.34Å; W228-P331 HydrophobicContact CE3-CB 4.07Å; W228-P331 HydrophobicContact CE3-CG 4.15Å; W228-P331 HydrophobicContact CH2-CB 3.98Å; W228-P331 HydrophobicContact CH2-CG 3.83Å; W228-P331 HydrophobicContact CZ2-CB 4.24Å; W228-P331 HydrophobicContact CZ3-CB 3.92Å; W228-P331 HydrophobicContact CZ3-CG 3.62Å; W228-M335 HydrophobicContact CB-CE 4.01Å; W228-L341 HydrophobicContact CB-CD1 4.03Å; W228-L341 HydrophobicContact CD2-CD1 4.21Å; W228-L341 HydrophobicContact CG-CD1 3.59Å; W228-P342 HydrophobicContact CZ2-CB 4.44Å; W228-P342 PolarHBondContact NE1-O 2.9Å; W228-L345 HydrophobicContact CH2-CD1 3.87Å; W228-L345 HydrophobicContact CH2-CG 4.43Å
229	L	98	Very high	94.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-42.3	174.1	-69	170.7	0	0	0	111.3	L225 H226 S231 G232 V233 F234 A247 H248 V251 A327	L225-L229 WeakPolarHBondContact O-CG 3.25Å; L225-L229 PolarHBondContact O-N 3.1Å; H226-L229 PolarHBondContact O-N 2.74Å; L229-S231 PolarHBondContact O-N 3.2Å; L229-G232 PolarHBondContact O-N 2.82Å; L229-V233 HydrophobicContact CD2-CG1 4.01Å; L229-F234 HydrophobicContact CD2-CD2 4.39Å; L229-F234 HydrophobicContact CD2-CE2 3.88Å; L229-A247 HydrophobicContact CD1-CB 3.91Å; L229-A247 HydrophobicContact CD2-CB 3.74Å; L229-H248 WeakPolarHBondContact CB-NE2 3.35Å; L229-V251 HydrophobicContact CD1-CG2 3.93Å; L229-A327 HydrophobicContact CD2-CB 4.48Å
230	D	96.8	Very high	94.1	Very high	99 Å²	99	52.4 Å²	52.4	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-20.2	177.9	-70	-36.5	0	0	0	113.9	H226 K227 W228 G232 K236 H248	H226-D230 PolarHBondContact O-N 3.14Å; K227-D230 PolarHBondContact O-N 2.92Å; W228-D230 VanDerWaalsContact C-N 3.3Å; W228-D230 PolarHBondContact O-N 3.39Å; D230-G232 PolarHBondContact O-N 3.42Å; D230-G232 VanDerWaalsContact O-N 3.1Å; D230-K236 PolarHBondContact O-NZ 3.43Å; D230-H248 IonicContact OD1-CE1 3.11Å; D230-H248 PolarHBondContact OD1-CE1 2.97Å; D230-H248 IonicContact OD1-NE2 3.19Å; D230-H248 PolarHBondContact OD1-NE2 2.82Å; D230-H248 IonicContact OD2-CE1 3.22Å
231	S	95.7	Very high	93.8	Very high	83 Å²	83	51.4 Å²	51.4	58%	0.58	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-11.6	-178.3	78.4	0	0	0	0	114.2	K227 W228 L229	K227-S231 PolarHBondContact O-N 3.41Å; W228-S231 VanDerWaalsContact O-CB 3.25Å; W228-S231 WeakPolarHBondContact O-CB 3.4Å; W228-S231 PolarHBondContact O-N 3.46Å; W228-S231 VanDerWaalsContact O-N 3.13Å; W228-S231 PolarHBondContact O-OG 2.79Å; L229-S231 PolarHBondContact O-N 3.2Å
232	G	93.7	Very high	93.6	Very high	23 Å²	23	54.4 Å²	54.4	24%	0.237	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	28.3	-177.6	0	0	0	0	0	113.8	L229 D230 F234	L229-G232 PolarHBondContact O-N 2.82Å; D230-G232 PolarHBondContact O-N 3.42Å; D230-G232 VanDerWaalsContact O-N 3.1Å; G232-F234 PolarHBondContact O-N 3.12Å
233	V	96.8	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-62.7	-26.5	175.7	70.5	0	0	0	0	112.6	W228 L229 L344 L345	W228-V233 HydrophobicContact CD2-CG1 4.49Å; W228-V233 HydrophobicContact CE3-CG1 4.45Å; W228-V233 HydrophobicContact CH2-CG1 4.33Å; W228-V233 HydrophobicContact CH2-CG2 3.93Å; W228-V233 HydrophobicContact CZ2-CB 4.19Å; W228-V233 HydrophobicContact CZ2-CG1 4.37Å; W228-V233 HydrophobicContact CZ2-CG2 3.43Å; W228-V233 VanDerWaalsContact CZ2-CG2 3.43Å; W228-V233 HydrophobicContact CZ3-CG1 4.34Å; L229-V233 HydrophobicContact CD2-CG1 4.01Å; V233-L344 CarbonylContact O-C 3.56Å; V233-L344 WeakPolarHBondContact O-CA 3.46Å; V233-L344 WeakPolarHBondContact O-CD1 3.02Å; V233-L345 HydrophobicContact CG2-CB 4.26Å; V233-L345 HydrophobicContact CG2-CD1 4.39Å; V233-L345 HydrophobicContact CG2-CG 3.79Å; V233-L345 PolarHBondContact O-N 3.11Å
234	F	95.7	Very high	93.3	Very high	5 Å²	5	48 Å²	48	2%	0.022	27%	0.268	C	S	.	.	S	Bend	trans	-102.7	138	166.1	-67.2	-82.2	0	0	0	109.5	L229 G232 K236 Q240 W243 C244 A247 A327 L345	L229-F234 HydrophobicContact CD2-CD2 4.39Å; L229-F234 HydrophobicContact CD2-CE2 3.88Å; G232-F234 PolarHBondContact O-N 3.12Å; F234-K236 PolarHBondContact O-N 3.4Å; F234-K236 VanDerWaalsContact O-N 3.16Å; F234-Q240 HydrophobicContact CB-CB 4.44Å; F234-W243 HydrophobicContact CD1-CB 3.92Å; F234-W243 HydrophobicContact CE1-CB 3.64Å; F234-W243 HydrophobicContact CZ-CB 4.1Å; F234-C244 HydrophobicContact CB-CB 4.07Å; F234-C244 HydrophobicContact CD2-CB 3.72Å; F234-C244 HydrophobicContact CG-CB 4.12Å; F234-A247 HydrophobicContact CE2-CB 4.32Å; F234-A327 HydrophobicContact CE2-CB 4.44Å; F234-A327 HydrophobicContact CZ-CB 4.24Å; F234-L345 HydrophobicContact CD1-CB 4.08Å; F234-L345 HydrophobicContact CE1-CB 3.64Å; F234-L345 HydrophobicContact CE1-CD1 4.27Å; F234-L345 HydrophobicContact CE2-CD1 4.23Å; F234-L345 HydrophobicContact CZ-CB 3.94Å; F234-L345 HydrophobicContact CZ-CD1 3.72Å; F234-L345 HydrophobicContact CZ-CG 4.46Å
235	P	91.5	Very high	93.1	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.091	28%	0.276	C	S	.	.			trans	-55.4	121.6	175.5	-22.4	28.8	0	0	0	112	S238 Q240 L344 I346 A484	P235-S238 PolarHBondContact O-OG 2.9Å; P235-Q240 HydrophobicContact CB-CB 4.39Å; P235-Q240 HydrophobicContact CG-CB 4.27Å; P235-Q240 HydrophobicContact CG-CG 4.17Å; P235-L344 HydrophobicContact CG-CD1 4.06Å; P235-I346 HydrophobicContact CG-CD1 3.31Å; P235-A484 HydrophobicContact CG-CB 4.43Å
236	K	83.8	Confident	92.9	Very high	150 Å²	150	52.7 Å²	52.7	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.5	-175.4	-65.2	-174.7	178.6	-177	0	113	D230 F234 S238	D230-K236 PolarHBondContact O-NZ 3.43Å; F234-K236 PolarHBondContact O-N 3.4Å; F234-K236 VanDerWaalsContact O-N 3.16Å; K236-S238 PolarHBondContact O-N 3.21Å
237	S	78.4	Confident	92.8	Very high	95 Å²	95	50.5 Å²	50.5	66%	0.664	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	17.6	-175.1	-56.7	0	0	0	0	113.8
238	S	81.3	Confident	92.8	Very high	15 Å²	15	46 Å²	46	11%	0.105	26%	0.262	C	S	.	.	S	Bend	trans	-140.7	177.2	-177.6	77.5	0	0	0	0	112.8	P235 K236 Q240 S241 E483	P235-S238 PolarHBondContact O-OG 2.9Å; K236-S238 PolarHBondContact O-N 3.21Å; S238-Q240 PolarHBondContact O-N 2.99Å; S238-Q240 WeakPolarHBondContact OG-CB 3.14Å; S238-Q240 WeakPolarHBondContact OG-CG 3.45Å; S238-Q240 PolarHBondContact OG-N 3.19Å; S238-S241 PolarHBondContact O-N 3.3Å; S238-S241 PolarHBondContact O-OG 2.87Å; S238-E483 WeakPolarHBondContact CB-O 3.24Å
239	N	86.9	Confident	92.6	Very high	82 Å²	82	50.2 Å²	50.2	44%	0.439	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.4	174.4	-74.1	14.8	0	0	0	113.3	S241 V242 T404	N239-S241 PolarHBondContact O-N 2.89Å; N239-V242 WeakPolarHBondContact O-CB 3.39Å; N239-V242 PolarHBondContact O-N 2.97Å; N239-T404 WeakPolarHBondContact ND2-CG2 3.28Å
240	Q	93.3	Very high	92.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.7	174.4	-61	-66.7	-56.1	0	0	113	F234 P235 S238 V242 W243 C244 C347 L403	F234-Q240 HydrophobicContact CB-CB 4.44Å; P235-Q240 HydrophobicContact CB-CB 4.39Å; P235-Q240 HydrophobicContact CG-CB 4.27Å; P235-Q240 HydrophobicContact CG-CG 4.17Å; S238-Q240 PolarHBondContact O-N 2.99Å; S238-Q240 WeakPolarHBondContact OG-CB 3.14Å; S238-Q240 WeakPolarHBondContact OG-CG 3.45Å; S238-Q240 PolarHBondContact OG-N 3.19Å; Q240-V242 PolarHBondContact O-N 2.67Å; Q240-W243 WeakPolarHBondContact O-CB 3.24Å; Q240-W243 PolarHBondContact O-N 2.72Å; Q240-C244 PolarHBondContact O-N 3.15Å; Q240-C347 PolarHBondContact NE2-O 3Å; Q240-C347 PolarHBondContact OE1-O 3.17Å; Q240-L403 PolarHBondContact NE2-O 3.23Å
241	S	91.2	Very high	92.5	Very high	49 Å²	49	46.9 Å²	46.9	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-28	172.5	55.6	0	0	0	0	113.6	S238 N239 W243 C244 N245	S238-S241 PolarHBondContact O-N 3.3Å; S238-S241 PolarHBondContact O-OG 2.87Å; N239-S241 PolarHBondContact O-N 2.89Å; S241-W243 VanDerWaalsContact C-N 3.29Å; S241-W243 PolarHBondContact O-N 2.78Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 3.28Å; S241-N245 PolarHBondContact O-N 3.22Å; S241-N245 VanDerWaalsContact O-N 3.12Å; S241-N245 PolarHBondContact O-ND2 2.87Å
242	V	93.4	Very high	92.4	Very high	84 Å²	84	44.6 Å²	44.6	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-40.5	174.1	176.8	0	0	0	0	111.1	N239 Q240 N245 M246	N239-V242 WeakPolarHBondContact O-CB 3.39Å; N239-V242 PolarHBondContact O-N 2.97Å; Q240-V242 PolarHBondContact O-N 2.67Å; V242-N245 PolarHBondContact O-N 3.36Å; V242-M246 PolarHBondContact O-N 2.83Å
243	W	95.2	Very high	92.2	Very high	21 Å²	21	48.5 Å²	48.5	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-70.3	-34.9	178.1	-52.5	128.8	0	0	0	112.6	F234 Q240 S241 M246 A247 K320 I323 C347 H349	F234-W243 HydrophobicContact CD1-CB 3.92Å; F234-W243 HydrophobicContact CE1-CB 3.64Å; F234-W243 HydrophobicContact CZ-CB 4.1Å; Q240-W243 WeakPolarHBondContact O-CB 3.24Å; Q240-W243 PolarHBondContact O-N 2.72Å; S241-W243 VanDerWaalsContact C-N 3.29Å; S241-W243 PolarHBondContact O-N 2.78Å; W243-M246 HydrophobicContact CE3-SD 4.07Å; W243-M246 HydrophobicContact CZ3-SD 4.07Å; W243-M246 PolarHBondContact O-N 3.19Å; W243-A247 WeakPolarHBondContact O-CB 3.49Å; W243-A247 PolarHBondContact O-N 2.92Å; W243-K320 HydrophobicContact CH2-CB 3.44Å; W243-K320 VanDerWaalsContact CH2-CB 3.44Å; W243-K320 HydrophobicContact CH2-CD 3.8Å; W243-K320 HydrophobicContact CH2-CG 4.25Å; W243-K320 HydrophobicContact CZ2-CB 3.85Å; W243-K320 HydrophobicContact CZ2-CD 4.49Å; W243-K320 HydrophobicContact CZ3-CB 3.9Å; W243-I323 HydrophobicContact CB-CD1 4.11Å; W243-I323 HydrophobicContact CD2-CD1 3.57Å; W243-I323 HydrophobicContact CE3-CD1 3.2Å; W243-I323 HydrophobicContact CG-CD1 3.99Å; W243-I323 HydrophobicContact CZ3-CD1 3.8Å; W243-C347 VanDerWaalsContact CD1-CB 3.47Å; W243-C347 HydrophobicContact CD2-CB 4.31Å; W243-C347 VanDerWaalsContact CE2-SG 3.55Å; W243-C347 HydrophobicContact CG-CB 3.89Å; W243-C347 PolarHBondContact NE1-O 3.27Å; W243-H349 AromaticContact CH2-CE1 3.82Å; W243-H349 AromaticContact CZ2-CD2 3.86Å; W243-H349 AromaticContact CZ2-CE1 3.57Å; W243-H349 AromaticContact CZ2-NE2 3.32Å; W243-H349 VanDerWaalsContact CZ2-NE2 3.32Å; W243-H349 WeakPolarHBondContact CZ2-NE2 3.47Å
244	C	95.5	Very high	92	Very high	20 Å²	20	49.1 Å²	49.1	14%	0.135	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-51.2	172.6	-162.5	0	0	0	0	110.5	F234 Q240 S241 M246 A247 H248	F234-C244 HydrophobicContact CB-CB 4.07Å; F234-C244 HydrophobicContact CD2-CB 3.72Å; F234-C244 HydrophobicContact CG-CB 4.12Å; Q240-C244 PolarHBondContact O-N 3.15Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 3.28Å; C244-M246 VanDerWaalsContact C-N 3.33Å; C244-M246 PolarHBondContact O-N 2.86Å; C244-A247 WeakPolarHBondContact O-CB 3.28Å; C244-A247 PolarHBondContact O-N 3.14Å; C244-A247 VanDerWaalsContact O-N 3.13Å; C244-H248 PolarHBondContact O-CD2 3.29Å; C244-H248 PolarHBondContact O-N 2.92Å
245	N	94.6	Very high	91.7	Very high	101 Å²	101	53.7 Å²	53.7	54%	0.54	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-42.9	178	-67.8	-27.6	0	0	0	112.2	S241 V242 A247 H248 N249	S241-N245 PolarHBondContact O-N 3.22Å; S241-N245 VanDerWaalsContact O-N 3.12Å; S241-N245 PolarHBondContact O-ND2 2.87Å; V242-N245 PolarHBondContact O-N 3.36Å; N245-A247 VanDerWaalsContact C-N 3.34Å; N245-A247 PolarHBondContact O-N 3.42Å; N245-H248 PolarHBondContact O-N 2.82Å; N245-N249 PolarHBondContact O-N 3Å; N245-N249 VanDerWaalsContact O-N 3.08Å; N245-N249 PolarHBondContact O-ND2 3.41Å
246	M	94.5	Very high	91.8	Very high	66 Å²	66	54.8 Å²	54.8	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-42.9	175.5	-167.5	176.3	-171.2	0	0	111.4	V242 W243 C244 N249 M250	V242-M246 PolarHBondContact O-N 2.83Å; W243-M246 HydrophobicContact CE3-SD 4.07Å; W243-M246 HydrophobicContact CZ3-SD 4.07Å; W243-M246 PolarHBondContact O-N 3.19Å; C244-M246 VanDerWaalsContact C-N 3.33Å; C244-M246 PolarHBondContact O-N 2.86Å; M246-N249 WeakPolarHBondContact O-CB 3.33Å; M246-N249 PolarHBondContact O-N 3Å; M246-M250 HydrophobicContact CE-CE 3.66Å; M246-M250 HydrophobicContact CG-CE 3.86Å; M246-M250 HydrophobicContact CG-SD 4.47Å; M246-M250 WeakPolarHBondContact O-CG 3.46Å; M246-M250 PolarHBondContact O-N 2.89Å; M246-M250 HydrophobicContact SD-CE 4.1Å
247	A	96.8	Very high	92.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-41.9	176.4	0	0	0	0	0	112.2	L229 F234 W243 C244 N245 N249 M250 V251 I323 A327	L229-A247 HydrophobicContact CD1-CB 3.91Å; L229-A247 HydrophobicContact CD2-CB 3.74Å; F234-A247 HydrophobicContact CE2-CB 4.32Å; W243-A247 WeakPolarHBondContact O-CB 3.49Å; W243-A247 PolarHBondContact O-N 2.92Å; C244-A247 WeakPolarHBondContact O-CB 3.28Å; C244-A247 PolarHBondContact O-N 3.14Å; C244-A247 VanDerWaalsContact O-N 3.13Å; N245-A247 VanDerWaalsContact C-N 3.34Å; N245-A247 PolarHBondContact O-N 3.42Å; A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 3.4Å; A247-M250 PolarHBondContact O-N 3.08Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.32Å; A247-V251 PolarHBondContact O-N 2.83Å; A247-I323 HydrophobicContact CB-CG2 4.5Å; A247-A327 HydrophobicContact CB-CB 3.77Å
248	H	97.3	Very high	92.9	Very high	37 Å²	37	43.9 Å²	43.9	17%	0.171	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-45.2	172.4	-79.5	-90	0	0	0	111.1	H226 L229 D230 C244 N245 M250 V251 G252	H226-H248 AromaticContact CE1-ND1 3.62Å; H226-H248 PolarHBondContact CE1-O 2.67Å; H226-H248 VanDerWaalsContact CE1-O 3.25Å; H226-H248 AromaticContact CG-ND1 3.83Å; H226-H248 AromaticContact ND1-CE1 3.74Å; H226-H248 AromaticContact ND1-CG 3.69Å; H226-H248 AromaticContact ND1-ND1 2.86Å; H226-H248 PolarHBondContact ND1-ND1 3.41Å; L229-H248 WeakPolarHBondContact CB-NE2 3.35Å; D230-H248 IonicContact OD1-CE1 3.11Å; D230-H248 PolarHBondContact OD1-CE1 2.97Å; D230-H248 IonicContact OD1-NE2 3.19Å; D230-H248 PolarHBondContact OD1-NE2 2.82Å; D230-H248 IonicContact OD2-CE1 3.22Å; C244-H248 PolarHBondContact O-CD2 3.29Å; C244-H248 PolarHBondContact O-N 2.92Å; N245-H248 PolarHBondContact O-N 2.82Å; H248-M250 VanDerWaalsContact C-N 3.34Å; H248-M250 PolarHBondContact O-N 3.26Å; H248-V251 PolarHBondContact O-N 3.23Å; H248-G252 PolarHBondContact O-N 3.06Å
249	N	95.4	Very high	93.6	Very high	109 Å²	109	43.2 Å²	43.2	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-61.9	-41.2	177.4	-68.5	-25.8	0	0	0	112.1	N245 M246 A247 N253	N245-N249 PolarHBondContact O-N 3Å; N245-N249 VanDerWaalsContact O-N 3.08Å; N245-N249 PolarHBondContact O-ND2 3.41Å; M246-N249 WeakPolarHBondContact O-CB 3.33Å; M246-N249 PolarHBondContact O-N 3Å; A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 3.4Å; N249-N253 PolarHBondContact O-N 3.38Å; N249-N253 PolarHBondContact O-ND2 2.99Å
250	M	94.6	Very high	94	Very high	30 Å²	30	39.4 Å²	39.4	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-44.5	175.3	-67.4	167.7	169.2	0	0	111.9	E201 M246 A247 H248 N253 S254 I323 R324 V328	E201-M250 WeakPolarHBondContact OE1-CE 3.49Å; M246-M250 HydrophobicContact CE-CE 3.66Å; M246-M250 HydrophobicContact CG-CE 3.86Å; M246-M250 HydrophobicContact CG-SD 4.47Å; M246-M250 WeakPolarHBondContact O-CG 3.46Å; M246-M250 PolarHBondContact O-N 2.89Å; M246-M250 HydrophobicContact SD-CE 4.1Å; A247-M250 PolarHBondContact O-N 3.08Å; H248-M250 VanDerWaalsContact C-N 3.34Å; H248-M250 PolarHBondContact O-N 3.26Å; M250-N253 PolarHBondContact O-N 3.43Å; M250-S254 WeakPolarHBondContact O-CB 3.43Å; M250-S254 PolarHBondContact O-N 2.96Å; M250-I323 HydrophobicContact SD-CG2 4.21Å; M250-R324 HydrophobicContact CE-CB 4.26Å; M250-R324 HydrophobicContact SD-CB 3.9Å; M250-V328 HydrophobicContact CB-CG2 3.76Å
251	V	96.2	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-47.3	177.4	172.5	0	0	0	0	110.8	K222 L225 L229 A247 H248 N253 S254 V328	K222-V251 HydrophobicContact CB-CG1 4.05Å; K222-V251 WeakPolarHBondContact CE-O 3.42Å; K222-V251 HydrophobicContact CG-CG1 4.22Å; K222-V251 WeakPolarHBondContact O-CG1 3.25Å; L225-V251 HydrophobicContact CB-CG1 3.76Å; L225-V251 HydrophobicContact CB-CG2 3.89Å; L225-V251 HydrophobicContact CD1-CG1 4.07Å; L225-V251 HydrophobicContact CD1-CG2 4.07Å; L229-V251 HydrophobicContact CD1-CG2 3.93Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.32Å; A247-V251 PolarHBondContact O-N 2.83Å; H248-V251 PolarHBondContact O-N 3.23Å; V251-N253 VanDerWaalsContact C-N 3.26Å; V251-N253 PolarHBondContact O-N 3.26Å; V251-S254 WeakPolarHBondContact O-CB 3.39Å; V251-S254 PolarHBondContact O-N 3.16Å; V251-S254 VanDerWaalsContact O-N 3.14Å; V251-S254 PolarHBondContact O-OG 3.46Å; V251-V328 HydrophobicContact CG2-CB 4.49Å; V251-V328 HydrophobicContact CG2-CG1 4.16Å; V251-V328 HydrophobicContact CG2-CG2 3.93Å
252	G	94.3	Very high	94	Very high	35 Å²	35	38.4 Å²	38.4	36%	0.361	21%	0.212	S	C	.	.	H	α-helix	trans	-57.5	-40.3	180	0	0	0	0	0	112.6	K222 H248	K222-G252 PolarHBondContact NZ-O 2.97Å; H248-G252 PolarHBondContact O-N 3.06Å
253	N	90.3	Very high	94	Very high	106 Å²	106	38.1 Å²	38.1	57%	0.567	20%	0.204	S	C	*	.	H	α-helix	trans	-88.7	-6.8	-179.5	-64.9	-49.8	0	0	0	114.4	N249 M250 V251	N249-N253 PolarHBondContact O-N 3.38Å; N249-N253 PolarHBondContact O-ND2 2.99Å; M250-N253 PolarHBondContact O-N 3.43Å; V251-N253 VanDerWaalsContact C-N 3.26Å; V251-N253 PolarHBondContact O-N 3.26Å
254	S	91.1	Very high	93.7	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	24%	0.239	C	C	.	.			trans	-61.1	147.8	-176.9	64.9	0	0	0	0	112.5	K222 M250 V251	K222-S254 WeakPolarHBondContact CE-O 3.47Å; K222-S254 VanDerWaalsContact CE-OG 3.3Å; K222-S254 WeakPolarHBondContact CE-OG 3.31Å; K222-S254 PolarHBondContact NZ-O 3.49Å; M250-S254 WeakPolarHBondContact O-CB 3.43Å; M250-S254 PolarHBondContact O-N 2.96Å; V251-S254 WeakPolarHBondContact O-CB 3.39Å; V251-S254 PolarHBondContact O-N 3.16Å; V251-S254 VanDerWaalsContact O-N 3.14Å; V251-S254 PolarHBondContact O-OG 3.46Å
255	Q	90.7	Very high	93.2	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.472	24%	0.244	S	C	.	.			trans	-128	172.1	174.4	-63.6	-176.3	-0.1	0	0	108.7	T184 L218 I257	T184-Q255 HydrophobicContact CG2-CG 4.12Å; L218-Q255 WeakPolarHBondContact CB-O 3.41Å; Q255-I257 PolarHBondContact O-N 3.18Å
256	D	93.8	Very high	92.7	Very high	37 Å²	37	40 Å²	40	20%	0.198	22%	0.218	C	C	.	.			trans	-58.2	136.8	171.3	-68.3	-0.7	0	0	0	109.7	Y167 M215 F216 K217 L218 S219	Y167-D256 WeakPolarHBondContact OH-CB 3.41Å; Y167-D256 PolarHBondContact OH-OD2 3.3Å; Y167-D256 VanDerWaalsContact OH-OD2 3.1Å; M215-D256 HydrophobicContact CE-CB 4.47Å; F216-D256 VanDerWaalsContact O-CA 3.28Å; F216-D256 WeakPolarHBondContact O-CA 3.36Å; F216-D256 WeakPolarHBondContact O-CB 3.4Å; K217-D256 WeakPolarHBondContact CA-OD1 3.36Å; L218-D256 PolarHBondContact N-OD1 3.42Å; S219-D256 WeakPolarHBondContact CB-OD1 3.34Å; S219-D256 PolarHBondContact N-OD1 3.08Å; S219-D256 PolarHBondContact OG-OD1 3.43Å
257	I	92.7	Very high	92.4	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.1	-167.1	-170.5	171.5	0	0	0	110.4	M215 F216 L218 Q255 I259 L329	M215-I257 CarbonylContact C-O 3.58Å; M215-I257 WeakPolarHBondContact CA-O 3.35Å; M215-I257 VanDerWaalsContact CE-C 3.47Å; F216-I257 HydrophobicContact CB-CG2 4.16Å; F216-I257 HydrophobicContact CD1-CG2 4.11Å; F216-I257 PolarHBondContact N-O 3.1Å; F216-I257 PolarHBondContact O-N 3.46Å; F216-I257 VanDerWaalsContact O-N 3.11Å; L218-I257 HydrophobicContact CB-CG2 4.22Å; L218-I257 HydrophobicContact CD2-CG2 4.2Å; Q255-I257 PolarHBondContact O-N 3.18Å; I257-I259 HydrophobicContact CG2-CG2 4.28Å; I257-I259 PolarHBondContact O-N 3.38Å; I257-L329 HydrophobicContact CG2-CD1 4.02Å
258	S	92.9	Very high	92.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.7	171.5	-167.1	0	0	0	0	110.7	N213 S260	N213-S258 WeakPolarHBondContact CB-OG 3.46Å; N213-S258 PolarHBondContact ND2-OG 3.42Å; S258-S260 PolarHBondContact OG-O 3.1Å
259	I	95.3	Very high	92.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.			trans	-113.3	7.2	175.7	58.4	162	0	0	0	112.8	W157 L160 V166 Y214 F216 I257 Y281 F284	W157-I259 HydrophobicContact CE3-CD1 4.33Å; W157-I259 HydrophobicContact CH2-CD1 3.8Å; W157-I259 HydrophobicContact CH2-CG1 3.96Å; W157-I259 HydrophobicContact CZ3-CB 4.4Å; W157-I259 HydrophobicContact CZ3-CD1 3.63Å; W157-I259 HydrophobicContact CZ3-CG1 3.96Å; L160-I259 HydrophobicContact CD2-CD1 3.87Å; V166-I259 HydrophobicContact CG1-CD1 4.31Å; V166-I259 HydrophobicContact CG2-CD1 4.09Å; Y214-I259 WeakPolarHBondContact O-CG1 3.5Å; Y214-I259 PolarHBondContact O-N 2.73Å; F216-I259 HydrophobicContact CB-CD1 4.07Å; F216-I259 HydrophobicContact CB-CG1 4.19Å; F216-I259 HydrophobicContact CB-CG2 3.61Å; I257-I259 HydrophobicContact CG2-CG2 4.28Å; I257-I259 PolarHBondContact O-N 3.38Å; I259-Y281 WeakPolarHBondContact O-CB 3.19Å; I259-Y281 PolarHBondContact O-N 3.5Å; I259-F284 HydrophobicContact CB-CD2 3.97Å; I259-F284 HydrophobicContact CB-CE2 4.48Å; I259-F284 HydrophobicContact CD1-CD2 4.31Å; I259-F284 HydrophobicContact CD1-CE2 3.96Å; I259-F284 HydrophobicContact CG2-CD2 3.97Å
260	S	95.3	Very high	92.4	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	175.3	165.9	77.1	0	0	0	0	111.4	N213 Y214 S258 Q278 I279	N213-S260 PolarHBondContact ND2-O 3.13Å; Y214-S260 WeakPolarHBondContact CB-OG 3.28Å; Y214-S260 WeakPolarHBondContact CD2-OG 3.43Å; Y214-S260 PolarHBondContact N-OG 3.5Å; Y214-S260 PolarHBondContact O-N 3.21Å; S258-S260 PolarHBondContact OG-O 3.1Å; S260-Q278 PolarHBondContact OG-OE1 2.93Å; S260-I279 CarbonylContact C-O 3.33Å; S260-I279 WeakPolarHBondContact CA-O 3.49Å; S260-I279 WeakPolarHBondContact CB-O 3.31Å
261	R	92.3	Very high	92.5	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.6	170.3	62.3	-173.7	176.6	-122.7	-3	110.3	W268 Q278 I279	R261-W268 PolarHBondContact NH2-O 2.82Å; R261-Q278 WeakPolarHBondContact O-CA 3.4Å; R261-Q278 PolarHBondContact O-OE1 3.25Å; R261-Q278 VanDerWaalsContact O-OE1 3.08Å; R261-I279 HydrophobicContact CG-CB 4.03Å; R261-I279 PolarHBondContact N-O 3.17Å; R261-I279 PolarHBondContact O-N 3.27Å
262	P	92.5	Very high	92.6	Very high	21 Å²	21	37.9 Å²	37.9	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140	176.6	-16.7	33.3	0	0	0	110.4	E211 N213 S264 R265	E211-P262 HydrophobicContact CB-CG 3.92Å; E211-P262 WeakPolarHBondContact OE2-CD 3.24Å; N213-P262 VanDerWaalsContact OD1-CD 3.23Å; N213-P262 WeakPolarHBondContact OD1-CD 3.32Å; P262-S264 PolarHBondContact O-N 2.76Å; P262-R265 WeakPolarHBondContact O-CB 3.45Å; P262-R265 PolarHBondContact O-N 3.27Å
263	K	92.5	Very high	92.7	Very high	78 Å²	78	37.6 Å²	37.6	34%	0.339	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.2	176.2	-176.6	-177.8	-178.8	177.3	0	112.4	R265 S266 D267 E277 I279	K263-R265 PolarHBondContact O-N 2.77Å; K263-S266 CarbonylContact O-C 3.51Å; K263-S266 VanDerWaalsContact O-C 3.29Å; K263-S266 PolarHBondContact O-N 2.91Å; K263-D267 HydrophobicContact CG-CB 3.88Å; K263-D267 PolarHBondContact O-N 2.93Å; K263-E277 WeakPolarHBondContact CB-O 3.47Å; K263-E277 PolarHBondContact N-O 3.49Å; K263-I279 HydrophobicContact CB-CG1 4.21Å; K263-I279 HydrophobicContact CG-CG1 4.46Å
264	S	90.3	Very high	92.9	Very high	116 Å²	116	36.8 Å²	36.8	81%	0.811	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.3	176.2	57.3	0	0	0	0	113.5	P262	P262-S264 PolarHBondContact O-N 2.76Å
265	R	83.7	Confident	93.1	Very high	64 Å²	64	37.2 Å²	37.2	24%	0.242	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-44.2	177.5	-176.5	176.3	175.7	-164.3	-2.1	111.9	Y175 E211 P262 K263	Y175-R265 VanDerWaalsContact CG-NH2 3.28Å; Y175-R265 VanDerWaalsContact CZ-NH2 3.26Å; E211-R265 IonicContact OE1-NH1 2.68Å; E211-R265 PolarHBondContact OE1-NH1 2.74Å; E211-R265 VanDerWaalsContact OE2-CD 3.24Å; E211-R265 WeakPolarHBondContact OE2-CD 3.4Å; E211-R265 IonicContact OE2-NH1 3.68Å; E211-R265 PolarHBondContact OE2-NH1 3.14Å; P262-R265 WeakPolarHBondContact O-CB 3.45Å; P262-R265 PolarHBondContact O-N 3.27Å; K263-R265 PolarHBondContact O-N 2.77Å
266	S	83.8	Confident	93.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	22%	0.224	C	C	.	.			trans	-158.9	114.4	175.5	-169.7	0	0	0	0	109.6	S103 K263 W268 I279	S103-S266 WeakPolarHBondContact OG-CB 3.45Å; S103-S266 PolarHBondContact OG-OG 3.24Å; K263-S266 CarbonylContact O-C 3.51Å; K263-S266 VanDerWaalsContact O-C 3.29Å; K263-S266 PolarHBondContact O-N 2.91Å; S266-W268 VanDerWaalsContact C-N 3.31Å; S266-I279 WeakPolarHBondContact O-CG1 3.35Å
267	D	89.4	Confident	93.3	Very high	72 Å²	72	42 Å²	42	39%	0.385	24%	0.243	S	C	.	.			trans	-83.2	-7.2	-179.8	55.4	8.6	0	0	0	113.2	R106 K263 G269	R106-D267 IonicContact CZ-OD1 3.6Å; R106-D267 IonicContact CZ-OD2 3.46Å; R106-D267 IonicContact NE-OD1 2.81Å; R106-D267 PolarHBondContact NE-OD1 3.25Å; R106-D267 IonicContact NH1-OD1 3.54Å; R106-D267 PolarHBondContact NH1-OD1 3.07Å; R106-D267 VanDerWaalsContact NH1-OD1 3.1Å; R106-D267 IonicContact NH1-OD2 3.99Å; R106-D267 VanDerWaalsContact NH2-CG 3.27Å; R106-D267 IonicContact NH2-OD1 3.64Å; R106-D267 PolarHBondContact NH2-OD1 3.23Å; R106-D267 IonicContact NH2-OD2 3.34Å; R106-D267 PolarHBondContact NH2-OD2 3.33Å; K263-D267 HydrophobicContact CG-CB 3.88Å; K263-D267 PolarHBondContact O-N 2.93Å; D267-G269 PolarHBondContact O-N 2.76Å
268	W	95.4	Very high	93.5	Very high	39 Å²	39	42.3 Å²	42.3	15%	0.148	24%	0.244	C	C	.	.			trans	-88.8	105	179.2	-176	-116.5	0	0	0	111.3	E100 H101 R106 P116 L117 T145 R261 S266	E100-W268 PolarHBondContact O-NE1 3.37Å; H101-W268 AromaticContact CD2-CE2 3.98Å; R106-W268 HydrophobicContact CB-CB 4.18Å; R106-W268 HydrophobicContact CG-CB 4.47Å; P116-W268 HydrophobicContact CB-CD2 3.25Å; P116-W268 HydrophobicContact CB-CE3 3.56Å; P116-W268 HydrophobicContact CB-CG 3.72Å; P116-W268 HydrophobicContact CB-CH2 4.01Å; P116-W268 HydrophobicContact CB-CZ2 3.71Å; P116-W268 HydrophobicContact CB-CZ3 3.92Å; P116-W268 HydrophobicContact CG-CB 4.46Å; P116-W268 HydrophobicContact CG-CD2 3.92Å; P116-W268 HydrophobicContact CG-CE3 4.07Å; P116-W268 HydrophobicContact CG-CG 4.07Å; L117-W268 HydrophobicContact CB-CH2 3.67Å; L117-W268 HydrophobicContact CB-CZ3 4.21Å; L117-W268 HydrophobicContact CD1-CH2 4.26Å; T145-W268 HydrophobicContact CG2-CH2 4.12Å; T145-W268 HydrophobicContact CG2-CZ2 3.92Å; R261-W268 PolarHBondContact NH2-O 2.82Å; S266-W268 VanDerWaalsContact C-N 3.31Å
269	G	96	Very high	93.7	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	24%	0.244	C	C	.	.	S	Bend	trans	159.8	-177.9	179.4	0	0	0	0	0	112.1	D267	D267-G269 PolarHBondContact O-N 2.76Å
270	I	97.2	Very high	93.8	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.041	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-80.1	134.6	176.6	-57.4	-173.9	0	0	0	109.7	V150 V153 H154 I279 V280 D285	V150-I270 HydrophobicContact CB-CD1 4.32Å; V150-I270 HydrophobicContact CG1-CG2 4.11Å; V150-I270 HydrophobicContact CG2-CD1 3.9Å; V150-I270 HydrophobicContact CG2-CG1 4.3Å; V153-I270 HydrophobicContact CB-CD1 4.04Å; V153-I270 HydrophobicContact CG1-CD1 4.16Å; V153-I270 HydrophobicContact CG1-CG2 4.17Å; V153-I270 HydrophobicContact CG2-CD1 3.95Å; H154-I270 WeakPolarHBondContact NE2-CG2 3.33Å; I270-I279 CarbonylContact O-C 3.43Å; I270-I279 WeakPolarHBondContact O-CA 3.48Å; I270-V280 HydrophobicContact CB-CB 4.43Å; I270-V280 HydrophobicContact CB-CG2 4.5Å; I270-V280 HydrophobicContact CG2-CG2 4.45Å; I270-V280 WeakPolarHBondContact O-CB 3.34Å; I270-V280 WeakPolarHBondContact O-CG2 3.44Å; I270-V280 PolarHBondContact O-N 3.23Å; I270-D285 WeakPolarHBondContact CD1-OD1 3.41Å
271	H	97.3	Very high	93.7	Very high	63 Å²	63	42.5 Å²	42.5	29%	0.292	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.6	175.7	-74.8	-76.9	0	0	0	111.9	H154 P273 N276 I279	H154-H271 PolarHBondContact NE2-O 3.41Å; H271-P273 WeakPolarHBondContact O-CD 3.37Å; H271-N276 PolarHBondContact CE1-O 3.19Å; H271-N276 PolarHBondContact ND1-O 3.25Å; H271-N276 VanDerWaalsContact ND1-O 3.16Å; H271-I279 WeakPolarHBondContact ND1-CD1 3.47Å
272	V	97.6	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.5	169.6	169.6	0	0	0	0	109.1	W157 Y214 G274 D275 Q278 V280	W157-V272 HydrophobicContact CD2-CG1 4.41Å; W157-V272 HydrophobicContact CH2-CG1 4.14Å; W157-V272 HydrophobicContact CH2-CG2 3.78Å; W157-V272 HydrophobicContact CZ2-CB 4.28Å; W157-V272 HydrophobicContact CZ2-CG1 3.38Å; W157-V272 HydrophobicContact CZ2-CG2 3.92Å; W157-V272 HydrophobicContact CZ3-CG2 4.24Å; Y214-V272 HydrophobicContact CD2-CG1 4.28Å; Y214-V272 HydrophobicContact CD2-CG2 4.41Å; Y214-V272 HydrophobicContact CE2-CG1 3.82Å; V272-G274 PolarHBondContact O-N 2.87Å; V272-G274 VanDerWaalsContact O-N 3.12Å; V272-D275 HydrophobicContact CB-CB 4.3Å; V272-D275 HydrophobicContact CG1-CB 4.14Å; V272-D275 CarbonylContact O-C 3.57Å; V272-D275 PolarHBondContact O-N 3.06Å; V272-D275 VanDerWaalsContact O-O 3.13Å; V272-Q278 HydrophobicContact CB-CB 3.98Å; V272-Q278 HydrophobicContact CG2-CB 3.71Å; V272-Q278 PolarHBondContact N-O 2.87Å; V272-V280 HydrophobicContact CG2-CG2 4.01Å
273	P	96.1	Very high	94	Very high	29 Å²	29	42.8 Å²	42.8	19%	0.188	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	120	175.7	-28.2	34.8	0	0	0	112.2	H154 W157 H271 D275	H154-P273 HydrophobicContact CB-CG 3.93Å; W157-P273 HydrophobicContact CB-CG 4.03Å; W157-P273 HydrophobicContact CG-CG 3.96Å; H271-P273 WeakPolarHBondContact O-CD 3.37Å; P273-D275 VanDerWaalsContact C-N 3.33Å
274	G	94.4	Very high	94.2	Very high	89 Å²	89	39.1 Å²	39.1	92%	0.918	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	-0.2	-179	0	0	0	0	0	115.5	V272	V272-G274 PolarHBondContact O-N 2.87Å; V272-G274 VanDerWaalsContact O-N 3.12Å
275	D	95.8	Very high	94.5	Very high	23 Å²	23	33.7 Å²	33.7	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	96.8	175.1	-171	-9.2	0	0	0	111.6	R168 Y214 V272 P273 E277 Q278	R168-D275 IonicContact CZ-OD2 3.58Å; R168-D275 IonicContact NH1-OD2 3.89Å; R168-D275 IonicContact NH2-OD2 2.87Å; R168-D275 PolarHBondContact NH2-OD2 3.08Å; Y214-D275 HydrophobicContact CE2-CB 4.26Å; V272-D275 HydrophobicContact CB-CB 4.3Å; V272-D275 HydrophobicContact CG1-CB 4.14Å; V272-D275 CarbonylContact O-C 3.57Å; V272-D275 PolarHBondContact O-N 3.06Å; V272-D275 VanDerWaalsContact O-O 3.13Å; P273-D275 VanDerWaalsContact C-N 3.33Å; D275-E277 PolarHBondContact O-N 3.3Å; D275-E277 PolarHBondContact OD1-N 3.39Å; D275-Q278 HydrophobicContact CB-CB 4.44Å; D275-Q278 PolarHBondContact O-N 3.45Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.32Å
276	N	94.3	Very high	95.2	Very high	110 Å²	110	30.6 Å²	30.6	59%	0.588	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	-10	-178.5	-67.9	-25.6	0	0	0	113.9	H271 Q278	H271-N276 PolarHBondContact CE1-O 3.19Å; H271-N276 PolarHBondContact ND1-O 3.25Å; H271-N276 VanDerWaalsContact ND1-O 3.16Å; N276-Q278 VanDerWaalsContact C-N 3.31Å
277	E	95.5	Very high	95.8	Very high	129 Å²	129	30.6 Å²	30.6	60%	0.603	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-5.7	176.3	-61.9	-54.2	128.7	0	0	112.3	K263 D275	K263-E277 WeakPolarHBondContact CB-O 3.47Å; K263-E277 PolarHBondContact N-O 3.49Å; D275-E277 PolarHBondContact O-N 3.3Å; D275-E277 PolarHBondContact OD1-N 3.39Å
278	Q	96.1	Very high	96.3	Very high	20 Å²	20	27.2 Å²	27.2	9%	0.093	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	179.8	-70.6	-76.1	-30.8	0	0	111.2	E212 Y214 S260 R261 V272 D275 N276	E212-Q278 PolarHBondContact O-NE2 2.73Å; Y214-Q278 HydrophobicContact CD2-CB 4.4Å; Y214-Q278 HydrophobicContact CD2-CG 4.2Å; Y214-Q278 HydrophobicContact CE2-CB 4.25Å; Y214-Q278 HydrophobicContact CE2-CG 4.02Å; S260-Q278 PolarHBondContact OG-OE1 2.93Å; R261-Q278 WeakPolarHBondContact O-CA 3.4Å; R261-Q278 PolarHBondContact O-OE1 3.25Å; R261-Q278 VanDerWaalsContact O-OE1 3.08Å; V272-Q278 HydrophobicContact CB-CB 3.98Å; V272-Q278 HydrophobicContact CG2-CB 3.71Å; V272-Q278 PolarHBondContact N-O 2.87Å; D275-Q278 HydrophobicContact CB-CB 4.44Å; D275-Q278 PolarHBondContact O-N 3.45Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.32Å; N276-Q278 VanDerWaalsContact C-N 3.31Å
279	I	96.7	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.7	176.7	-59.5	-62.3	0	0	0	108.3	S260 R261 K263 S266 I270 H271	S260-I279 CarbonylContact C-O 3.33Å; S260-I279 WeakPolarHBondContact CA-O 3.49Å; S260-I279 WeakPolarHBondContact CB-O 3.31Å; R261-I279 HydrophobicContact CG-CB 4.03Å; R261-I279 PolarHBondContact N-O 3.17Å; R261-I279 PolarHBondContact O-N 3.27Å; K263-I279 HydrophobicContact CB-CG1 4.21Å; K263-I279 HydrophobicContact CG-CG1 4.46Å; S266-I279 WeakPolarHBondContact O-CG1 3.35Å; I270-I279 CarbonylContact O-C 3.43Å; I270-I279 WeakPolarHBondContact O-CA 3.48Å; H271-I279 WeakPolarHBondContact ND1-CD1 3.47Å
280	V	97	Very high	96.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137.7	175.7	175	0	0	0	0	109.6	V153 W157 I270 V272 F284 D285	V153-V280 HydrophobicContact CG1-CG1 4.15Å; V153-V280 HydrophobicContact CG1-CG2 4.32Å; W157-V280 HydrophobicContact CE3-CG2 4.17Å; W157-V280 HydrophobicContact CZ3-CG2 4.31Å; I270-V280 HydrophobicContact CB-CB 4.43Å; I270-V280 HydrophobicContact CB-CG2 4.5Å; I270-V280 HydrophobicContact CG2-CG2 4.45Å; I270-V280 WeakPolarHBondContact O-CB 3.34Å; I270-V280 WeakPolarHBondContact O-CG2 3.44Å; I270-V280 PolarHBondContact O-N 3.23Å; V272-V280 HydrophobicContact CG2-CG2 4.01Å; V280-F284 HydrophobicContact CG1-CB 4.04Å; V280-F284 HydrophobicContact CG1-CD1 3.45Å; V280-F284 VanDerWaalsContact CG1-CD1 3.45Å; V280-F284 HydrophobicContact CG1-CE1 4.24Å; V280-F284 HydrophobicContact CG1-CG 4.06Å; V280-D285 HydrophobicContact CG1-CB 4.08Å
281	Y	94.5	Very high	96.5	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.027	14%	0.143	C	C	.	.			trans	-61.3	136.8	176.7	174.8	-134.1	0	0	0	111.4	E180 I259 W283 F284 D285 L329	E180-Y281 WeakPolarHBondContact O-CE2 3.44Å; E180-Y281 VanDerWaalsContact O-CZ 3.26Å; E180-Y281 PolarHBondContact O-OH 2.8Å; I259-Y281 WeakPolarHBondContact O-CB 3.19Å; I259-Y281 PolarHBondContact O-N 3.5Å; Y281-W283 HydrophobicContact CD1-CB 4.12Å; Y281-W283 HydrophobicContact CE1-CB 3.6Å; Y281-W283 HydrophobicContact CE1-CG 4.32Å; Y281-W283 AromaticContact CZ-CD1 3.64Å; Y281-W283 PolarHBondContact O-N 2.9Å; Y281-W283 VanDerWaalsContact OH-CD1 3.24Å; Y281-F284 HydrophobicContact CD1-CB 4.33Å; Y281-F284 VanDerWaalsContact O-CB 3.26Å; Y281-F284 WeakPolarHBondContact O-CB 3.42Å; Y281-F284 PolarHBondContact O-N 3.41Å; Y281-D285 PolarHBondContact O-N 3.07Å; Y281-L329 HydrophobicContact CE1-CD2 4.19Å
282	V	94.3	Very high	96.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-56.3	-45.2	-173	64	0	0	0	0	112.9	Y37 D99 H101 E180 F284 D285 A286	Y37-V282 HydrophobicContact CE2-CG2 4.41Å; D99-V282 VanDerWaalsContact OD2-CG2 3.24Å; D99-V282 WeakPolarHBondContact OD2-CG2 3.43Å; H101-V282 WeakPolarHBondContact O-CG2 3.18Å; E180-V282 HydrophobicContact CB-CG1 3.91Å; E180-V282 WeakPolarHBondContact OE2-CG1 3.28Å; V282-F284 VanDerWaalsContact C-N 3.31Å; V282-F284 PolarHBondContact O-N 2.85Å; V282-D285 PolarHBondContact O-N 2.6Å; V282-A286 WeakPolarHBondContact O-CB 3.29Å; V282-A286 PolarHBondContact O-N 3.5Å
283	W	95.4	Very high	96.4	Very high	33 Å²	33	21.4 Å²	21.4	13%	0.125	13%	0.129	C	C	.	.	H	α-helix	trans	-71.2	-28	178.9	-75.4	102.6	0	0	0	112.8	D179 Y281 L287 I322 F325 L329	D179-W283 PolarHBondContact O-NE1 3.14Å; Y281-W283 HydrophobicContact CD1-CB 4.12Å; Y281-W283 HydrophobicContact CE1-CB 3.6Å; Y281-W283 HydrophobicContact CE1-CG 4.32Å; Y281-W283 AromaticContact CZ-CD1 3.64Å; Y281-W283 PolarHBondContact O-N 2.9Å; Y281-W283 VanDerWaalsContact OH-CD1 3.24Å; W283-L287 VanDerWaalsContact O-CB 3.27Å; W283-L287 WeakPolarHBondContact O-CB 3.44Å; W283-L287 VanDerWaalsContact O-CD1 3.22Å; W283-L287 WeakPolarHBondContact O-CD1 3.28Å; W283-L287 WeakPolarHBondContact O-CG 3.31Å; W283-L287 PolarHBondContact O-N 2.76Å; W283-I322 HydrophobicContact CH2-CB 3.96Å; W283-I322 HydrophobicContact CH2-CG2 3.52Å; W283-I322 HydrophobicContact CZ2-CG2 3.99Å; W283-I322 HydrophobicContact CZ3-CB 4.46Å; W283-I322 HydrophobicContact CZ3-CG2 4.46Å; W283-F325 HydrophobicContact CB-CD1 3.85Å; W283-F325 HydrophobicContact CB-CE1 4.15Å; W283-F325 HydrophobicContact CB-CG 4.47Å; W283-F325 AromaticContact CD1-CD1 3.86Å; W283-F325 AromaticContact CD1-CE1 3.36Å; W283-F325 AromaticContact CD1-CZ 3.53Å; W283-F325 HydrophobicContact CD2-CB 4.16Å; W283-F325 AromaticContact CD2-CD1 3.63Å; W283-F325 HydrophobicContact CD2-CD1 3.63Å; W283-F325 AromaticContact CD2-CD2 3.61Å; W283-F325 HydrophobicContact CD2-CD2 3.61Å; W283-F325 AromaticContact CD2-CE1 3.85Å; W283-F325 HydrophobicContact CD2-CE1 3.85Å; W283-F325 AromaticContact CD2-CE2 3.85Å; W283-F325 HydrophobicContact CD2-CE2 3.85Å; W283-F325 AromaticContact CD2-CG 3.5Å; W283-F325 HydrophobicContact CD2-CG 3.5Å; W283-F325 AromaticContact CD2-CZ 3.96Å; W283-F325 HydrophobicContact CD2-CZ 3.96Å; W283-F325 AromaticContact CE2-CD2 3.47Å; W283-F325 VanDerWaalsContact CE2-CD2 3.47Å; W283-F325 AromaticContact CE2-CE1 3.9Å; W283-F325 AromaticContact CE2-CE2 3.28Å; W283-F325 AromaticContact CE2-CG 3.87Å; W283-F325 AromaticContact CE2-CZ 3.51Å; W283-F325 HydrophobicContact CE3-CB 3.79Å; W283-F325 HydrophobicContact CE3-CD1 4.15Å; W283-F325 AromaticContact CE3-CD2 3.82Å; W283-F325 HydrophobicContact CE3-CD2 3.82Å; W283-F325 HydrophobicContact CE3-CE2 4.47Å; W283-F325 AromaticContact CE3-CG 3.63Å; W283-F325 HydrophobicContact CE3-CG 3.63Å; W283-F325 AromaticContact CG-CD1 3.48Å; W283-F325 HydrophobicContact CG-CD1 3.48Å; W283-F325 VanDerWaalsContact CG-CD1 3.48Å; W283-F325 HydrophobicContact CG-CD2 4.31Å; W283-F325 AromaticContact CG-CE1 3.51Å; W283-F325 HydrophobicContact CG-CE1 3.51Å; W283-F325 HydrophobicContact CG-CE2 4.35Å; W283-F325 AromaticContact CG-CG 3.91Å; W283-F325 HydrophobicContact CG-CG 3.91Å; W283-F325 AromaticContact CG-CZ 3.96Å; W283-F325 HydrophobicContact CG-CZ 3.96Å; W283-F325 AromaticContact CH2-CD2 3.8Å; W283-F325 HydrophobicContact CH2-CD2 3.8Å; W283-F325 HydrophobicContact CH2-CE2 4.17Å; W283-F325 HydrophobicContact CH2-CG 4.46Å; W283-F325 AromaticContact CZ2-CD2 3.56Å; W283-F325 HydrophobicContact CZ2-CD2 3.56Å; W283-F325 AromaticContact CZ2-CE2 3.46Å; W283-F325 HydrophobicContact CZ2-CE2 3.46Å; W283-F325 VanDerWaalsContact CZ2-CE2 3.46Å; W283-F325 HydrophobicContact CZ2-CG 4.33Å; W283-F325 HydrophobicContact CZ2-CZ 4.15Å; W283-F325 HydrophobicContact CZ3-CB 4.19Å; W283-F325 AromaticContact CZ3-CD2 3.92Å; W283-F325 HydrophobicContact CZ3-CD2 3.92Å; W283-F325 HydrophobicContact CZ3-CG 4.13Å; W283-F325 AromaticContact NE1-CE1 3.56Å; W283-F325 AromaticContact NE1-CE2 3.47Å; W283-F325 AromaticContact NE1-CZ 3.18Å; W283-L329 HydrophobicContact CB-CD2 4.18Å
284	F	97.3	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-51.5	173.6	-176.6	-80.5	0	0	0	110.5	V153 F156 W157 L160 I259 V280 Y281 V282 I288 L333	V153-F284 HydrophobicContact CG1-CE1 4.45Å; F156-F284 HydrophobicContact CD1-CE1 4.14Å; F156-F284 HydrophobicContact CD1-CE2 4.39Å; F156-F284 AromaticContact CD1-CZ 3.67Å; F156-F284 HydrophobicContact CD1-CZ 3.67Å; F156-F284 HydrophobicContact CE1-CE2 4.37Å; F156-F284 HydrophobicContact CE1-CZ 4.09Å; W157-F284 HydrophobicContact CE3-CD1 4.44Å; W157-F284 AromaticContact CE3-CE1 3.8Å; W157-F284 HydrophobicContact CE3-CE1 3.8Å; W157-F284 HydrophobicContact CE3-CE2 4.38Å; W157-F284 AromaticContact CE3-CZ 3.76Å; W157-F284 HydrophobicContact CE3-CZ 3.76Å; W157-F284 HydrophobicContact CZ3-CZ 4.42Å; L160-F284 HydrophobicContact CD2-CE2 3.47Å; L160-F284 VanDerWaalsContact CD2-CE2 3.47Å; L160-F284 HydrophobicContact CD2-CZ 3.86Å; I259-F284 HydrophobicContact CB-CD2 3.97Å; I259-F284 HydrophobicContact CB-CE2 4.48Å; I259-F284 HydrophobicContact CD1-CD2 4.31Å; I259-F284 HydrophobicContact CD1-CE2 3.96Å; I259-F284 HydrophobicContact CG2-CD2 3.97Å; V280-F284 HydrophobicContact CG1-CB 4.04Å; V280-F284 HydrophobicContact CG1-CD1 3.45Å; V280-F284 VanDerWaalsContact CG1-CD1 3.45Å; V280-F284 HydrophobicContact CG1-CE1 4.24Å; V280-F284 HydrophobicContact CG1-CG 4.06Å; Y281-F284 HydrophobicContact CD1-CB 4.33Å; Y281-F284 VanDerWaalsContact O-CB 3.26Å; Y281-F284 WeakPolarHBondContact O-CB 3.42Å; Y281-F284 PolarHBondContact O-N 3.41Å; V282-F284 VanDerWaalsContact C-N 3.31Å; V282-F284 PolarHBondContact O-N 2.85Å; F284-I288 HydrophobicContact CD1-CD1 3.62Å; F284-I288 HydrophobicContact CE1-CD1 3.42Å; F284-I288 VanDerWaalsContact CE1-CD1 3.42Å; F284-I288 HydrophobicContact CZ-CD1 4.22Å; F284-I288 VanDerWaalsContact O-CD1 3.27Å; F284-I288 WeakPolarHBondContact O-CD1 3.4Å; F284-I288 WeakPolarHBondContact O-CG1 3.18Å; F284-L333 HydrophobicContact CD2-CD1 3.8Å; F284-L333 HydrophobicContact CD2-CD2 3.86Å; F284-L333 HydrophobicContact CE2-CD1 4.19Å; F284-L333 HydrophobicContact CE2-CD2 3.61Å
285	D	96.7	Very high	96.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-57.9	-58.7	175.4	170.6	55.9	0	0	0	111.3	H101 H149 V153 I270 V280 Y281 V282 L287 I288	H101-D285 IonicContact CE1-OD2 3.45Å; H101-D285 IonicContact CG-OD2 3.88Å; H101-D285 IonicContact ND1-OD1 2.72Å; H101-D285 IonicContact ND1-OD2 2.63Å; H101-D285 PolarHBondContact ND1-OD2 2.92Å; H149-D285 IonicContact CD2-OD1 3.64Å; H149-D285 PolarHBondContact CD2-OD1 2.81Å; H149-D285 VanDerWaalsContact CD2-OD1 3.26Å; H149-D285 PolarHBondContact CE1-O 2.86Å; H149-D285 VanDerWaalsContact CE1-O 3.24Å; H149-D285 IonicContact CE1-OD1 3.26Å; H149-D285 PolarHBondContact NE2-O 3.34Å; H149-D285 IonicContact NE2-OD1 3.57Å; H149-D285 PolarHBondContact NE2-OD1 3.25Å; V153-D285 WeakPolarHBondContact CG2-OD1 3.02Å; I270-D285 WeakPolarHBondContact CD1-OD1 3.41Å; V280-D285 HydrophobicContact CG1-CB 4.08Å; Y281-D285 PolarHBondContact O-N 3.07Å; V282-D285 PolarHBondContact O-N 2.6Å; D285-L287 VanDerWaalsContact C-N 3.31Å; D285-L287 PolarHBondContact O-N 3.42Å; D285-I288 WeakPolarHBondContact O-CB 3.46Å; D285-I288 PolarHBondContact O-N 3.4Å
286	A	97.6	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.4	-42.4	-177.1	0	0	0	0	0	112.2	I35 D99 V282 I288 N289	I35-A286 HydrophobicContact CD1-CB 4.28Å; I35-A286 HydrophobicContact CG2-CB 4.07Å; D99-A286 HydrophobicContact CB-CB 4.16Å; V282-A286 WeakPolarHBondContact O-CB 3.29Å; V282-A286 PolarHBondContact O-N 3.5Å; A286-I288 VanDerWaalsContact C-N 3.29Å; A286-I288 PolarHBondContact O-N 3.19Å; A286-N289 VanDerWaalsContact O-CB 3.25Å; A286-N289 WeakPolarHBondContact O-CB 3.4Å; A286-N289 PolarHBondContact O-N 2.87Å; A286-N289 PolarHBondContact O-ND2 3.27Å
287	L	98.3	Very high	96.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.5	-30.4	179.8	-72.8	167.7	0	0	0	113.5	W283 D285 N289 Y290 F325 L329 W330	W283-L287 VanDerWaalsContact O-CB 3.27Å; W283-L287 WeakPolarHBondContact O-CB 3.44Å; W283-L287 VanDerWaalsContact O-CD1 3.22Å; W283-L287 WeakPolarHBondContact O-CD1 3.28Å; W283-L287 WeakPolarHBondContact O-CG 3.31Å; W283-L287 PolarHBondContact O-N 2.76Å; D285-L287 VanDerWaalsContact C-N 3.31Å; D285-L287 PolarHBondContact O-N 3.42Å; L287-N289 PolarHBondContact O-N 3.4Å; L287-Y290 HydrophobicContact CD2-CE2 4.12Å; L287-Y290 VanDerWaalsContact O-CD2 3.23Å; L287-Y290 WeakPolarHBondContact O-CD2 3.14Å; L287-Y290 PolarHBondContact O-N 3.15Å; L287-F325 HydrophobicContact CD1-CB 4.42Å; L287-L329 HydrophobicContact CD1-CB 4.45Å; L287-L329 HydrophobicContact CD1-CD2 4.01Å; L287-L329 HydrophobicContact CD1-CG 4.09Å; L287-W330 HydrophobicContact CB-CD2 3.95Å; L287-W330 HydrophobicContact CB-CE3 3.66Å; L287-W330 HydrophobicContact CB-CG 4.38Å; L287-W330 HydrophobicContact CB-CZ3 4.12Å; L287-W330 HydrophobicContact CD1-CB 3.73Å; L287-W330 HydrophobicContact CD1-CE3 4.32Å; L287-W330 HydrophobicContact CD1-CG 4.35Å; L287-W330 HydrophobicContact CD2-CB 3.84Å; L287-W330 HydrophobicContact CD2-CD2 4.43Å; L287-W330 HydrophobicContact CD2-CG 4Å; L287-W330 HydrophobicContact CG-CB 4.26Å; L287-W330 HydrophobicContact CG-CE3 4.49Å; L287-W330 HydrophobicContact CG-CG 4.47Å
288	I	98.3	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.7	-12.6	179.6	-66.6	162.3	0	0	0	111.7	A152 V153 F156 F284 D285 A286 Y290 L291 T292 W330	A152-I288 HydrophobicContact CB-CG2 3.97Å; V153-I288 HydrophobicContact CB-CD1 4.42Å; V153-I288 HydrophobicContact CG1-CD1 4.39Å; V153-I288 HydrophobicContact CG2-CB 4.11Å; V153-I288 HydrophobicContact CG2-CD1 4.07Å; V153-I288 HydrophobicContact CG2-CG2 3.94Å; F156-I288 HydrophobicContact CB-CD1 3.79Å; F156-I288 HydrophobicContact CB-CG1 4.37Å; F156-I288 HydrophobicContact CD1-CD1 3.76Å; F156-I288 HydrophobicContact CD1-CG1 4.28Å; F156-I288 HydrophobicContact CD2-CD1 4.45Å; F156-I288 HydrophobicContact CD2-CG1 4.27Å; F156-I288 HydrophobicContact CG-CD1 3.74Å; F156-I288 HydrophobicContact CG-CG1 4.05Å; F284-I288 HydrophobicContact CD1-CD1 3.62Å; F284-I288 HydrophobicContact CE1-CD1 3.42Å; F284-I288 VanDerWaalsContact CE1-CD1 3.42Å; F284-I288 HydrophobicContact CZ-CD1 4.22Å; F284-I288 VanDerWaalsContact O-CD1 3.27Å; F284-I288 WeakPolarHBondContact O-CD1 3.4Å; F284-I288 WeakPolarHBondContact O-CG1 3.18Å; D285-I288 WeakPolarHBondContact O-CB 3.46Å; D285-I288 PolarHBondContact O-N 3.4Å; A286-I288 VanDerWaalsContact C-N 3.29Å; A286-I288 PolarHBondContact O-N 3.19Å; I288-Y290 PolarHBondContact O-N 3.4Å; I288-L291 WeakPolarHBondContact O-CB 3.4Å; I288-L291 PolarHBondContact O-N 3.41Å; I288-T292 PolarHBondContact O-N 2.97Å; I288-T292 PolarHBondContact O-OG1 2.73Å; I288-W330 HydrophobicContact CG1-CH2 4.39Å; I288-W330 HydrophobicContact CG1-CZ3 4.15Å
289	N	97.9	Very high	95	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-56	-40.5	176.4	91.9	92.6	0	0	0	111.5	I35 I142 H149 A286 L287 L291 T292 V293	I35-N289 HydrophobicContact CD1-CB 3.63Å; I142-N289 HydrophobicContact CG1-CB 4.3Å; I142-N289 HydrophobicContact CG2-CB 3.97Å; I142-N289 WeakPolarHBondContact CG2-OD1 3.47Å; H149-N289 PolarHBondContact CE1-N 2.74Å; H149-N289 VanDerWaalsContact CE1-N 3.33Å; A286-N289 VanDerWaalsContact O-CB 3.25Å; A286-N289 WeakPolarHBondContact O-CB 3.4Å; A286-N289 PolarHBondContact O-N 2.87Å; A286-N289 PolarHBondContact O-ND2 3.27Å; L287-N289 PolarHBondContact O-N 3.4Å; N289-L291 PolarHBondContact O-N 3.06Å; N289-T292 WeakPolarHBondContact O-CB 3.38Å; N289-T292 PolarHBondContact O-N 3.12Å; N289-V293 PolarHBondContact O-N 3.22Å; N289-V293 VanDerWaalsContact O-N 3.11Å
290	Y	98	Very high	93.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-31	-179.8	-56.1	-49.4	0	0	0	112.1	T32 C33 L287 I288 V293 H326	T32-Y290 HydrophobicContact CG2-CD1 3.66Å; T32-Y290 HydrophobicContact CG2-CE1 4.25Å; T32-Y290 HydrophobicContact CG2-CG 4.27Å; C33-Y290 WeakPolarHBondContact O-CE1 3.32Å; L287-Y290 HydrophobicContact CD2-CE2 4.12Å; L287-Y290 VanDerWaalsContact O-CD2 3.23Å; L287-Y290 WeakPolarHBondContact O-CD2 3.14Å; L287-Y290 PolarHBondContact O-N 3.15Å; I288-Y290 PolarHBondContact O-N 3.4Å; Y290-V293 WeakPolarHBondContact O-CG2 3.19Å; Y290-H326 AromaticContact CE2-CD2 3.86Å; Y290-H326 AromaticContact CE2-NE2 3.39Å; Y290-H326 WeakPolarHBondContact CE2-NE2 3.44Å; Y290-H326 AromaticContact CZ-NE2 3.53Å; Y290-H326 PolarHBondContact OH-NE2 3.49Å
291	L	97	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-82.3	-36.3	175.3	-170.5	63.5	0	0	0	110.7	F156 I288 N289 V293 T294 F296 W298 W311 W330 L339	F156-L291 HydrophobicContact CD2-CD2 3.81Å; F156-L291 HydrophobicContact CE2-CD2 4.13Å; I288-L291 WeakPolarHBondContact O-CB 3.4Å; I288-L291 PolarHBondContact O-N 3.41Å; N289-L291 PolarHBondContact O-N 3.06Å; L291-V293 PolarHBondContact O-N 2.75Å; L291-T294 WeakPolarHBondContact O-CB 3.5Å; L291-T294 PolarHBondContact O-N 3.05Å; L291-T294 VanDerWaalsContact O-N 3.1Å; L291-T294 PolarHBondContact O-OG1 2.86Å; L291-F296 HydrophobicContact CB-CB 4.48Å; L291-F296 HydrophobicContact CD1-CB 4.18Å; L291-F296 HydrophobicContact CD1-CD2 4.22Å; L291-F296 HydrophobicContact CD1-CG 4.27Å; L291-F296 HydrophobicContact CD2-CB 4.18Å; L291-F296 HydrophobicContact CD2-CD1 3.65Å; L291-F296 HydrophobicContact CD2-CD2 3.69Å; L291-F296 HydrophobicContact CD2-CE1 3.88Å; L291-F296 HydrophobicContact CD2-CE2 3.92Å; L291-F296 HydrophobicContact CD2-CG 3.56Å; L291-F296 HydrophobicContact CD2-CZ 4.02Å; L291-F296 HydrophobicContact CG-CB 3.56Å; L291-F296 HydrophobicContact CG-CD1 3.97Å; L291-F296 HydrophobicContact CG-CD2 3.89Å; L291-F296 HydrophobicContact CG-CG 3.54Å; L291-F296 VanDerWaalsContact O-CB 3.32Å; L291-F296 WeakPolarHBondContact O-CB 3.47Å; L291-W298 HydrophobicContact CD1-CH2 3.64Å; L291-W298 HydrophobicContact CD1-CZ2 3.69Å; L291-W311 HydrophobicContact CB-CE3 4.48Å; L291-W311 HydrophobicContact CB-CZ3 4.15Å; L291-W311 HydrophobicContact CD1-CD2 3.52Å; L291-W311 HydrophobicContact CD1-CE3 3.58Å; L291-W311 HydrophobicContact CD1-CG 4.08Å; L291-W311 HydrophobicContact CD1-CH2 4.33Å; L291-W311 HydrophobicContact CD1-CZ2 4.24Å; L291-W311 HydrophobicContact CD1-CZ3 3.98Å; L291-W330 HydrophobicContact CB-CH2 4.41Å; L291-L339 HydrophobicContact CD1-CD1 4.3Å; L291-L339 HydrophobicContact CD2-CD1 3.71Å
292	T	97.6	Very high	90.1	Very high	2 Å²	2	30 Å²	30	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-42.7	179.4	-55.6	0	0	0	0	112.4	I142 R148 H149 A152 I288 N289 T294 G295	I142-T292 HydrophobicContact CD1-CG2 3.82Å; R148-T292 HydrophobicContact CG-CG2 4.09Å; H149-T292 HydrophobicContact CB-CG2 4.07Å; H149-T292 PolarHBondContact ND1-OG1 3.45Å; A152-T292 HydrophobicContact CB-CG2 4.22Å; A152-T292 VanDerWaalsContact CB-OG1 3.3Å; A152-T292 WeakPolarHBondContact CB-OG1 3.24Å; I288-T292 PolarHBondContact O-N 2.97Å; I288-T292 PolarHBondContact O-OG1 2.73Å; N289-T292 WeakPolarHBondContact O-CB 3.38Å; N289-T292 PolarHBondContact O-N 3.12Å; T292-T294 PolarHBondContact O-N 2.99Å; T292-G295 PolarHBondContact O-N 3.5Å
293	V	96.3	Very high	88.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.3	179	-63	0	0	0	0	113	F30 F93 D140 I142 N289 Y290 L291 G295	F30-V293 HydrophobicContact CE2-CG2 4.15Å; F30-V293 HydrophobicContact CZ-CG2 3.63Å; F93-V293 HydrophobicContact CE1-CB 4.16Å; F93-V293 HydrophobicContact CE1-CG2 4.23Å; F93-V293 HydrophobicContact CZ-CB 4.47Å; D140-V293 HydrophobicContact CB-CB 4.32Å; D140-V293 HydrophobicContact CB-CG1 4.18Å; I142-V293 HydrophobicContact CB-CG1 3.71Å; I142-V293 HydrophobicContact CG1-CG1 4.43Å; I142-V293 HydrophobicContact CG2-CG1 3.71Å; N289-V293 PolarHBondContact O-N 3.22Å; N289-V293 VanDerWaalsContact O-N 3.11Å; Y290-V293 WeakPolarHBondContact O-CG2 3.19Å; L291-V293 PolarHBondContact O-N 2.75Å; V293-G295 PolarHBondContact O-N 2.69Å
294	T	95	Very high	86.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	8.3	173.3	75.9	0	0	0	0	113.4	F30 L291 T292 W298 K307 L310 W311	F30-T294 HydrophobicContact CD1-CG2 4.27Å; F30-T294 HydrophobicContact CE1-CG2 3.69Å; F30-T294 HydrophobicContact CZ-CG2 4.19Å; L291-T294 WeakPolarHBondContact O-CB 3.5Å; L291-T294 PolarHBondContact O-N 3.05Å; L291-T294 VanDerWaalsContact O-N 3.1Å; L291-T294 PolarHBondContact O-OG1 2.86Å; T292-T294 PolarHBondContact O-N 2.99Å; T294-W298 PolarHBondContact O-NE1 2.99Å; T294-W298 VanDerWaalsContact OG1-CZ2 3.32Å; T294-W298 WeakPolarHBondContact OG1-CZ2 3.37Å; T294-W298 PolarHBondContact OG1-NE1 3.34Å; T294-K307 WeakPolarHBondContact CB-O 3.38Å; T294-K307 CarbonylContact O-C 3.58Å; T294-K307 VanDerWaalsContact O-CB 3.31Å; T294-K307 WeakPolarHBondContact O-CB 3.19Å; T294-K307 VanDerWaalsContact O-O 3.1Å; T294-L310 HydrophobicContact CG2-CB 3.9Å; T294-L310 HydrophobicContact CG2-CD1 4.5Å; T294-W311 HydrophobicContact CG2-CB 4.41Å; T294-W311 HydrophobicContact CG2-CE3 3.94Å
295	G	93.7	Very high	85.5	Confident	34 Å²	34	37 Å²	37	35%	0.351	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	18.2	179.5	0	0	0	0	0	114.1	T292 V293 P297	T292-G295 PolarHBondContact O-N 3.5Å; V293-G295 PolarHBondContact O-N 2.69Å; G295-P297 CarbonylContact O-C 3.45Å
296	F	95.2	Very high	84.7	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.026	25%	0.252	C	S	.	.	S	Bend	trans	-66.8	138.7	173	-176.3	-92.5	0	0	0	110.8	A152 E155 F156 L291 W298	A152-F296 HydrophobicContact CB-CD1 3.86Å; A152-F296 WeakPolarHBondContact O-CE1 3.31Å; E155-F296 HydrophobicContact CB-CE1 4.07Å; E155-F296 HydrophobicContact CB-CZ 4.36Å; E155-F296 HydrophobicContact CG-CE1 3.98Å; E155-F296 HydrophobicContact CG-CZ 3.76Å; F156-F296 HydrophobicContact CB-CE1 4.1Å; F156-F296 HydrophobicContact CD2-CE1 4.48Å; F156-F296 HydrophobicContact CD2-CZ 4.49Å; L291-F296 HydrophobicContact CB-CB 4.48Å; L291-F296 HydrophobicContact CD1-CB 4.18Å; L291-F296 HydrophobicContact CD1-CD2 4.22Å; L291-F296 HydrophobicContact CD1-CG 4.27Å; L291-F296 HydrophobicContact CD2-CB 4.18Å; L291-F296 HydrophobicContact CD2-CD1 3.65Å; L291-F296 HydrophobicContact CD2-CD2 3.69Å; L291-F296 HydrophobicContact CD2-CE1 3.88Å; L291-F296 HydrophobicContact CD2-CE2 3.92Å; L291-F296 HydrophobicContact CD2-CG 3.56Å; L291-F296 HydrophobicContact CD2-CZ 4.02Å; L291-F296 HydrophobicContact CG-CB 3.56Å; L291-F296 HydrophobicContact CG-CD1 3.97Å; L291-F296 HydrophobicContact CG-CD2 3.89Å; L291-F296 HydrophobicContact CG-CG 3.54Å; L291-F296 VanDerWaalsContact O-CB 3.32Å; L291-F296 WeakPolarHBondContact O-CB 3.47Å; F296-W298 HydrophobicContact CB-CZ2 4.44Å; F296-W298 HydrophobicContact CD2-CD2 4.14Å; F296-W298 HydrophobicContact CD2-CE3 4.02Å; F296-W298 HydrophobicContact CD2-CH2 4.28Å; F296-W298 HydrophobicContact CD2-CZ2 4.39Å; F296-W298 HydrophobicContact CD2-CZ3 4.09Å
297	P	92.8	Very high	84.1	Confident	55 Å²	55	44.8 Å²	44.8	36%	0.357	27%	0.271	S	S	.	.	S	Bend	cis	-78	132.4	1.4	34.6	-37.1	0	0	0	113.4	E155 G295	E155-P297 HydrophobicContact CB-CB 4.02Å; E155-P297 HydrophobicContact CB-CG 4.2Å; E155-P297 HydrophobicContact CG-CB 3.7Å; E155-P297 HydrophobicContact CG-CG 4.37Å; G295-P297 CarbonylContact O-C 3.45Å
298	W	90.3	Very high	83.5	Confident	33 Å²	33	46 Å²	46	13%	0.125	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74.9	133.3	-179.4	-49.2	-60.9	0	0	0	110.7	L291 T294 F296 N300 Q308 W311 L339	L291-W298 HydrophobicContact CD1-CH2 3.64Å; L291-W298 HydrophobicContact CD1-CZ2 3.69Å; T294-W298 PolarHBondContact O-NE1 2.99Å; T294-W298 VanDerWaalsContact OG1-CZ2 3.32Å; T294-W298 WeakPolarHBondContact OG1-CZ2 3.37Å; T294-W298 PolarHBondContact OG1-NE1 3.34Å; F296-W298 HydrophobicContact CB-CZ2 4.44Å; F296-W298 HydrophobicContact CD2-CD2 4.14Å; F296-W298 HydrophobicContact CD2-CE3 4.02Å; F296-W298 HydrophobicContact CD2-CH2 4.28Å; F296-W298 HydrophobicContact CD2-CZ2 4.39Å; F296-W298 HydrophobicContact CD2-CZ3 4.09Å; W298-N300 VanDerWaalsContact C-N 3.29Å; W298-N300 PolarHBondContact O-N 3.19Å; W298-Q308 HydrophobicContact CB-CG 4.37Å; W298-Q308 HydrophobicContact CD2-CB 4.47Å; W298-Q308 HydrophobicContact CD2-CG 3.73Å; W298-Q308 HydrophobicContact CE3-CG 4.29Å; W298-Q308 HydrophobicContact CG-CB 4.11Å; W298-Q308 HydrophobicContact CG-CG 3.74Å; W298-Q308 HydrophobicContact CZ2-CG 4.49Å; W298-W311 HydrophobicContact CH2-CB 3.98Å; W298-W311 AromaticContact CH2-CG 3.93Å; W298-W311 HydrophobicContact CH2-CG 3.93Å; W298-W311 HydrophobicContact CZ2-CB 3.83Å; W298-W311 HydrophobicContact CZ2-CG 4.15Å; W298-L339 HydrophobicContact CH2-CD2 4.16Å; W298-L339 HydrophobicContact CZ3-CD2 3.83Å
299	S	76	Confident	83.1	Confident	100 Å²	100	47.9 Å²	47.9	70%	0.699	29%	0.29	S	S	*	.	S	Bend	trans	-65.2	-30.6	-175.9	68	0	0	0	0	113.6
300	N	67.1	Low	82.9	Confident	112 Å²	112	47.8 Å²	47.8	60%	0.599	29%	0.289	S	S	*	.	S	Bend	trans	-144.3	136.2	171.2	-87.5	-36.7	0	0	0	108.6	W298 N302 D303 Q308	W298-N300 VanDerWaalsContact C-N 3.29Å; W298-N300 PolarHBondContact O-N 3.19Å; N300-N302 PolarHBondContact O-N 3.18Å; N300-D303 HydrophobicContact CB-CB 4.07Å; N300-D303 PolarHBondContact O-N 2.83Å; N300-Q308 PolarHBondContact O-OE1 2.96Å
301	V	59	Low	82.7	Confident	102 Å²	102	48.8 Å²	48.8	62%	0.618	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.4	-176.7	179.5	0	0	0	0	112.9	Q308	V301-Q308 VanDerWaalsContact CA-NE2 3.32Å; V301-Q308 PolarHBondContact O-NE2 3.26Å; V301-Q308 PolarHBondContact O-OE1 3.47Å
302	N	58.5	Low	82.7	Confident	148 Å²	148	49.3 Å²	49.3	79%	0.791	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	34.3	178.5	-63.7	-52.1	0	0	0	112.6	N300 G304	N300-N302 PolarHBondContact O-N 3.18Å; N302-G304 PolarHBondContact O-N 3.21Å
303	D	55.8	Low	82.6	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	30%	0.296	S	S	.	.			trans	-66.5	-14	177.9	74.1	2.1	0	0	0	113.2	N300 S305 Q308	N300-D303 HydrophobicContact CB-CB 4.07Å; N300-D303 PolarHBondContact O-N 2.83Å; D303-S305 PolarHBondContact O-N 3.17Å; D303-S305 WeakPolarHBondContact OD1-CA 3.36Å; D303-S305 WeakPolarHBondContact OD1-CB 3.33Å; D303-S305 PolarHBondContact OD1-N 2.59Å; D303-S305 PolarHBondContact OD1-OG 2.89Å; D303-Q308 PolarHBondContact OD1-OE1 3.39Å
304	G	60.4	Low	82.7	Confident	69 Å²	69	49.9 Å²	49.9	71%	0.711	30%	0.299	S	S	*	.			trans	73.4	14.9	-179.2	0	0	0	0	0	113	N302	N302-G304 PolarHBondContact O-N 3.21Å
305	S	74	Confident	82.8	Confident	40 Å²	40	50 Å²	50	28%	0.28	30%	0.3	S	S	.	.			trans	-63	138.7	176	64.3	0	0	0	0	110.3	D303 K307 Q308 S309	D303-S305 PolarHBondContact O-N 3.17Å; D303-S305 WeakPolarHBondContact OD1-CA 3.36Å; D303-S305 WeakPolarHBondContact OD1-CB 3.33Å; D303-S305 PolarHBondContact OD1-N 2.59Å; D303-S305 PolarHBondContact OD1-OG 2.89Å; S305-K307 PolarHBondContact O-N 3.13Å; S305-Q308 PolarHBondContact O-N 3.41Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 WeakPolarHBondContact OG-CB 3.33Å; S305-Q308 PolarHBondContact OG-N 2.99Å; S305-S309 PolarHBondContact O-N 3.2Å; S305-S309 VanDerWaalsContact O-N 3.11Å
306	F	80.9	Confident	83	Confident	71 Å²	71	48.4 Å²	48.4	31%	0.311	28%	0.283	S	S	.	.	H	α-helix	trans	-49.4	-45.2	177.4	172.9	-97.8	0	0	0	111.5	P28 N90 F93 Q308 S309 L310	P28-F306 HydrophobicContact CB-CE2 3.89Å; P28-F306 HydrophobicContact CB-CZ 4.17Å; P28-F306 HydrophobicContact CG-CD2 3.77Å; P28-F306 HydrophobicContact CG-CE2 3.26Å; P28-F306 HydrophobicContact CG-CZ 3.95Å; N90-F306 HydrophobicContact CB-CD2 4.35Å; N90-F306 HydrophobicContact CB-CE2 3.87Å; F93-F306 HydrophobicContact CD2-CE1 4.09Å; F306-Q308 PolarHBondContact O-N 2.74Å; F306-S309 PolarHBondContact O-N 3.47Å; F306-S309 PolarHBondContact O-OG 2.94Å; F306-L310 HydrophobicContact CE1-CD1 4.5Å; F306-L310 HydrophobicContact CE1-CD2 4.25Å; F306-L310 HydrophobicContact CZ-CD2 4.19Å; F306-L310 PolarHBondContact O-N 2.86Å
307	K	84.9	Confident	83.2	Confident	94 Å²	94	48.1 Å²	48.1	41%	0.409	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-43.3	-179.2	-74.2	-164.8	172.3	-166.7	0	112.9	T294 S305 S309 L310	T294-K307 WeakPolarHBondContact CB-O 3.38Å; T294-K307 CarbonylContact O-C 3.58Å; T294-K307 VanDerWaalsContact O-CB 3.31Å; T294-K307 WeakPolarHBondContact O-CB 3.19Å; T294-K307 VanDerWaalsContact O-O 3.1Å; S305-K307 PolarHBondContact O-N 3.13Å; K307-S309 VanDerWaalsContact C-N 3.32Å; K307-S309 PolarHBondContact O-N 3.12Å; K307-L310 VanDerWaalsContact O-CB 3.27Å; K307-L310 WeakPolarHBondContact O-CB 3.37Å; K307-L310 WeakPolarHBondContact O-CG 3.44Å; K307-L310 PolarHBondContact O-N 3.48Å
308	Q	85.1	Confident	83.3	Confident	26 Å²	26	45.5 Å²	45.5	12%	0.121	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-39.7	176.7	-174.1	-178.3	24.2	0	0	111.8	W298 N300 V301 D303 S305 F306 L310 W311	W298-Q308 HydrophobicContact CB-CG 4.37Å; W298-Q308 HydrophobicContact CD2-CB 4.47Å; W298-Q308 HydrophobicContact CD2-CG 3.73Å; W298-Q308 HydrophobicContact CE3-CG 4.29Å; W298-Q308 HydrophobicContact CG-CB 4.11Å; W298-Q308 HydrophobicContact CG-CG 3.74Å; W298-Q308 HydrophobicContact CZ2-CG 4.49Å; N300-Q308 PolarHBondContact O-OE1 2.96Å; V301-Q308 VanDerWaalsContact CA-NE2 3.32Å; V301-Q308 PolarHBondContact O-NE2 3.26Å; V301-Q308 PolarHBondContact O-OE1 3.47Å; D303-Q308 PolarHBondContact OD1-OE1 3.39Å; S305-Q308 PolarHBondContact O-N 3.41Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 WeakPolarHBondContact OG-CB 3.33Å; S305-Q308 PolarHBondContact OG-N 2.99Å; F306-Q308 PolarHBondContact O-N 2.74Å; Q308-L310 PolarHBondContact O-N 2.73Å; Q308-W311 PolarHBondContact O-N 3.24Å
309	S	89.6	Confident	83.5	Confident	39 Å²	39	44.5 Å²	44.5	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-16.6	-180	78.4	0	0	0	0	114	K27 P28 S305 F306 K307 W311	K27-S309 VanDerWaalsContact CG-O 3.28Å; K27-S309 WeakPolarHBondContact CG-O 2.73Å; P28-S309 VanDerWaalsContact CD-OG 3.32Å; P28-S309 WeakPolarHBondContact CD-OG 3.48Å; S305-S309 PolarHBondContact O-N 3.2Å; S305-S309 VanDerWaalsContact O-N 3.11Å; F306-S309 PolarHBondContact O-N 3.47Å; F306-S309 PolarHBondContact O-OG 2.94Å; K307-S309 VanDerWaalsContact C-N 3.32Å; K307-S309 PolarHBondContact O-N 3.12Å; S309-W311 VanDerWaalsContact C-N 3.31Å; S309-W311 PolarHBondContact O-N 3.46Å
310	L	92.9	Very high	84.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.3	177.4	-61.9	175.2	0	0	0	113.3	K27 P28 F30 F93 T294 F306 K307 Q308 P312	K27-L310 WeakPolarHBondContact CE-O 3.4Å; K27-L310 PolarHBondContact NZ-O 3.47Å; P28-L310 HydrophobicContact CB-CD2 3.69Å; P28-L310 HydrophobicContact CG-CD2 3.9Å; F30-L310 HydrophobicContact CB-CB 4.45Å; F30-L310 HydrophobicContact CD1-CB 4.26Å; F30-L310 WeakPolarHBondContact CD1-O 3.36Å; F30-L310 HydrophobicContact CG-CB 4.37Å; F93-L310 HydrophobicContact CB-CD1 4.18Å; F93-L310 HydrophobicContact CB-CD2 3.6Å; F93-L310 HydrophobicContact CD1-CD1 3.9Å; F93-L310 HydrophobicContact CD2-CD1 3.59Å; F93-L310 HydrophobicContact CD2-CD2 4.25Å; F93-L310 HydrophobicContact CE1-CD1 4.09Å; F93-L310 HydrophobicContact CE2-CD1 3.8Å; F93-L310 HydrophobicContact CG-CD1 3.62Å; F93-L310 HydrophobicContact CG-CD2 4Å; F93-L310 HydrophobicContact CG-CG 4.46Å; F93-L310 HydrophobicContact CZ-CD1 4.02Å; T294-L310 HydrophobicContact CG2-CB 3.9Å; T294-L310 HydrophobicContact CG2-CD1 4.5Å; F306-L310 HydrophobicContact CE1-CD1 4.5Å; F306-L310 HydrophobicContact CE1-CD2 4.25Å; F306-L310 HydrophobicContact CZ-CD2 4.19Å; F306-L310 PolarHBondContact O-N 2.86Å; K307-L310 VanDerWaalsContact O-CB 3.27Å; K307-L310 WeakPolarHBondContact O-CB 3.37Å; K307-L310 WeakPolarHBondContact O-CG 3.44Å; K307-L310 PolarHBondContact O-N 3.48Å; Q308-L310 PolarHBondContact O-N 2.73Å; L310-P312 CarbonylContact O-C 3.6Å
311	W	94.5	Very high	85.4	Confident	20 Å²	20	40 Å²	40	8%	0.076	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-81	136.2	-174.1	-167.6	-94.7	0	0	0	111.7	F30 L291 T294 W298 Q308 S309 P313 W330 L334 P340	F30-W311 HydrophobicContact CE1-CE3 4.26Å; F30-W311 HydrophobicContact CE1-CZ3 4.36Å; L291-W311 HydrophobicContact CB-CE3 4.48Å; L291-W311 HydrophobicContact CB-CZ3 4.15Å; L291-W311 HydrophobicContact CD1-CD2 3.52Å; L291-W311 HydrophobicContact CD1-CE3 3.58Å; L291-W311 HydrophobicContact CD1-CG 4.08Å; L291-W311 HydrophobicContact CD1-CH2 4.33Å; L291-W311 HydrophobicContact CD1-CZ2 4.24Å; L291-W311 HydrophobicContact CD1-CZ3 3.98Å; T294-W311 HydrophobicContact CG2-CB 4.41Å; T294-W311 HydrophobicContact CG2-CE3 3.94Å; W298-W311 HydrophobicContact CH2-CB 3.98Å; W298-W311 AromaticContact CH2-CG 3.93Å; W298-W311 HydrophobicContact CH2-CG 3.93Å; W298-W311 HydrophobicContact CZ2-CB 3.83Å; W298-W311 HydrophobicContact CZ2-CG 4.15Å; Q308-W311 PolarHBondContact O-N 3.24Å; S309-W311 VanDerWaalsContact C-N 3.31Å; S309-W311 PolarHBondContact O-N 3.46Å; W311-P313 HydrophobicContact CH2-CG 4.23Å; W311-P313 VanDerWaalsContact CZ3-CD 3.42Å; W311-P313 HydrophobicContact CZ3-CG 4.22Å; W311-W330 AromaticContact CH2-CZ2 3.6Å; W311-W330 HydrophobicContact CH2-CZ2 3.6Å; W311-W330 HydrophobicContact CZ2-CZ2 4.19Å; W311-L334 HydrophobicContact CH2-CD1 4.38Å; W311-L334 HydrophobicContact CH2-CD2 4.38Å; W311-L334 HydrophobicContact CZ2-CD1 3.81Å; W311-L334 HydrophobicContact CZ2-CD2 3.67Å; W311-L334 HydrophobicContact CZ2-CG 4.42Å; W311-P340 PolarHBondContact NE1-O 3.49Å
312	P	96.3	Very high	87	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.078	21%	0.209	C	C	.	.	S	Bend	cis	-83.7	166	-0.4	34.2	-35.3	0	0	0	113.9	K27 L310 D314 P340 L341 R343	K27-P312 WeakPolarHBondContact CE-O 3.35Å; K27-P312 PolarHBondContact NZ-O 2.84Å; L310-P312 CarbonylContact O-C 3.6Å; P312-D314 PolarHBondContact O-N 3.39Å; P312-P340 HydrophobicContact CB-CB 4.01Å; P312-P340 HydrophobicContact CG-CB 3.81Å; P312-L341 VanDerWaalsContact CB-O 3.24Å; P312-L341 WeakPolarHBondContact CB-O 3.37Å; P312-L341 WeakPolarHBondContact CG-O 3.46Å; P312-R343 HydrophobicContact CG-CG 4.34Å
313	P	97.3	Very high	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-58.4	133.6	169.5	25.4	-34.1	0	0	0	111	F30 T32 W311 Q316 P342 R343	F30-P313 HydrophobicContact CD1-CB 3.69Å; F30-P313 HydrophobicContact CE1-CB 3.86Å; F30-P313 HydrophobicContact CE1-CG 4.41Å; F30-P313 HydrophobicContact CG-CB 4.27Å; T32-P313 HydrophobicContact CG2-CB 4.03Å; W311-P313 HydrophobicContact CH2-CG 4.23Å; W311-P313 VanDerWaalsContact CZ3-CD 3.42Å; W311-P313 HydrophobicContact CZ3-CG 4.22Å; P313-Q316 HydrophobicContact CB-CG 3.8Å; P313-Q316 HydrophobicContact CG-CG 3.73Å; P313-P342 HydrophobicContact CG-CB 4.12Å; P313-P342 HydrophobicContact CG-CG 4.25Å; P313-R343 PolarHBondContact O-N 2.89Å; P313-R343 VanDerWaalsContact O-N 3.12Å
314	D	97.4	Very high	90.6	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.07	16%	0.158	C	C	.	.	S	Bend	trans	-76	-36.6	174.6	-63.9	-73.5	0	0	0	111	K27 F29 F30 P312 R343 L344	K27-D314 IonicContact NZ-OD1 3.42Å; K27-D314 IonicContact NZ-OD2 2.75Å; K27-D314 PolarHBondContact NZ-OD2 2.87Å; F29-D314 WeakPolarHBondContact CA-OD2 3.42Å; F29-D314 HydrophobicContact CD1-CB 4.1Å; F29-D314 HydrophobicContact CD2-CB 3.89Å; F29-D314 HydrophobicContact CE1-CB 3.78Å; F29-D314 HydrophobicContact CE2-CB 3.53Å; F29-D314 HydrophobicContact CG-CB 4.16Å; F29-D314 HydrophobicContact CZ-CB 3.47Å; F29-D314 VanDerWaalsContact CZ-CB 3.47Å; F30-D314 PolarHBondContact N-OD2 2.98Å; F30-D314 PolarHBondContact O-N 3.1Å; P312-D314 PolarHBondContact O-N 3.39Å; D314-R343 VanDerWaalsContact OD1-CD 3.31Å; D314-R343 WeakPolarHBondContact OD1-CD 3.36Å; D314-R343 IonicContact OD1-CZ 3.77Å; D314-R343 IonicContact OD1-NE 3.26Å; D314-R343 IonicContact OD1-NH1 3.56Å; D314-R343 PolarHBondContact OD1-NH1 2.92Å; D314-L344 WeakPolarHBondContact O-CB 3.34Å; D314-L344 PolarHBondContact O-N 2.79Å
315	V	97.8	Very high	92.3	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.7	174.9	-171.3	0	0	0	0	110.8	F29 F30 I31 T32 W56 F317 L344 I346	F29-V315 HydrophobicContact CE1-CG2 3.85Å; F29-V315 HydrophobicContact CZ-CG2 3.8Å; F30-V315 PolarHBondContact O-N 3.32Å; I31-V315 CarbonylContact C-O 3.57Å; I31-V315 VanDerWaalsContact CA-O 3.31Å; I31-V315 WeakPolarHBondContact CA-O 3.44Å; I31-V315 HydrophobicContact CG1-CB 4.34Å; T32-V315 PolarHBondContact N-O 3.39Å; W56-V315 HydrophobicContact CE3-CG1 3.72Å; W56-V315 HydrophobicContact CZ3-CG1 3.71Å; V315-F317 HydrophobicContact CG1-CD2 4.36Å; V315-F317 HydrophobicContact CG1-CE2 4.24Å; V315-L344 CarbonylContact C-O 3.56Å; V315-L344 WeakPolarHBondContact CA-O 3.3Å; V315-L344 HydrophobicContact CG1-CD2 4.36Å; V315-L344 HydrophobicContact CG2-CB 4.29Å; V315-L344 HydrophobicContact CG2-CD2 4.02Å; V315-I346 HydrophobicContact CG1-CB 4.42Å; V315-I346 HydrophobicContact CG1-CG1 3.89Å
316	Q	98.2	Very high	93.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.7	166.7	-53.8	-162.5	-86.1	0	0	110.4	T32 P313 P342 L344 L345 I346	T32-Q316 HydrophobicContact CG2-CG 4.39Å; T32-Q316 WeakPolarHBondContact OG1-CA 3.31Å; T32-Q316 WeakPolarHBondContact OG1-CB 3.49Å; T32-Q316 WeakPolarHBondContact OG1-CG 3.23Å; T32-Q316 PolarHBondContact OG1-NE2 3.18Å; P313-Q316 HydrophobicContact CB-CG 3.8Å; P313-Q316 HydrophobicContact CG-CG 3.73Å; Q316-P342 HydrophobicContact CG-CB 4.23Å; Q316-P342 VanDerWaalsContact OE1-CB 3.3Å; Q316-L344 PolarHBondContact N-O 3.13Å; Q316-L345 HydrophobicContact CB-CD2 3.8Å; Q316-L345 HydrophobicContact CG-CD2 4.32Å; Q316-I346 PolarHBondContact O-N 3.48Å
317	F	98.1	Very high	94.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.3	171.5	-71.4	-84.3	0	0	0	111.5	I31 T32 P34 T49 L52 A53 W56 V315 I346	I31-F317 HydrophobicContact CG2-CD2 3.79Å; I31-F317 HydrophobicContact CG2-CE2 3.57Å; T32-F317 PolarHBondContact O-N 2.91Å; P34-F317 WeakPolarHBondContact CD-O 3.25Å; P34-F317 WeakPolarHBondContact CG-O 3.5Å; T49-F317 HydrophobicContact CG2-CB 3.86Å; L52-F317 HydrophobicContact CB-CE1 4.27Å; L52-F317 HydrophobicContact CB-CZ 4.48Å; L52-F317 HydrophobicContact CD1-CE1 4.33Å; L52-F317 HydrophobicContact CD2-CD1 3.61Å; L52-F317 HydrophobicContact CD2-CE1 3.24Å; L52-F317 HydrophobicContact CD2-CZ 4.18Å; L52-F317 HydrophobicContact CG-CD1 4.08Å; L52-F317 HydrophobicContact CG-CE1 3.31Å; L52-F317 HydrophobicContact CG-CZ 3.74Å; L52-F317 WeakPolarHBondContact O-CZ 3.49Å; A53-F317 HydrophobicContact CB-CD2 3.6Å; A53-F317 HydrophobicContact CB-CE2 3.59Å; A53-F317 HydrophobicContact CB-CG 4.37Å; A53-F317 HydrophobicContact CB-CZ 4.28Å; W56-F317 HydrophobicContact CB-CE2 4.32Å; W56-F317 HydrophobicContact CB-CZ 4.05Å; W56-F317 HydrophobicContact CD2-CE1 4.05Å; W56-F317 HydrophobicContact CD2-CE2 4.24Å; W56-F317 AromaticContact CD2-CZ 3.47Å; W56-F317 HydrophobicContact CD2-CZ 3.47Å; W56-F317 VanDerWaalsContact CD2-CZ 3.47Å; W56-F317 HydrophobicContact CE3-CD1 4.27Å; W56-F317 HydrophobicContact CE3-CD2 4.39Å; W56-F317 AromaticContact CE3-CE1 3.2Å; W56-F317 HydrophobicContact CE3-CE1 3.2Å; W56-F317 AromaticContact CE3-CE2 3.34Å; W56-F317 HydrophobicContact CE3-CE2 3.34Å; W56-F317 AromaticContact CE3-CZ 2.73Å; W56-F317 HydrophobicContact CE3-CZ 2.73Å; W56-F317 HydrophobicContact CG-CZ 4.08Å; W56-F317 AromaticContact CH2-CE1 3.8Å; W56-F317 HydrophobicContact CH2-CE1 3.8Å; W56-F317 HydrophobicContact CH2-CZ 4.19Å; W56-F317 AromaticContact CZ3-CD1 3.81Å; W56-F317 HydrophobicContact CZ3-CD1 3.81Å; W56-F317 AromaticContact CZ3-CE1 2.93Å; W56-F317 HydrophobicContact CZ3-CE1 2.93Å; W56-F317 AromaticContact CZ3-CE2 3.86Å; W56-F317 HydrophobicContact CZ3-CE2 3.86Å; W56-F317 AromaticContact CZ3-CZ 3.1Å; W56-F317 HydrophobicContact CZ3-CZ 3.1Å; V315-F317 HydrophobicContact CG1-CD2 4.36Å; V315-F317 HydrophobicContact CG1-CE2 4.24Å; F317-I346 WeakPolarHBondContact CA-O 3.48Å; F317-I346 HydrophobicContact CD1-CB 4.02Å; F317-I346 HydrophobicContact CD1-CG2 3.85Å; F317-I346 HydrophobicContact CE1-CB 4.29Å; F317-I346 HydrophobicContact CE1-CG2 3.92Å
318	L	96	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.4	175.7	57.1	142.1	0	0	0	112.1	I322 I323 H326 L345 I346 C347 H348	L318-I322 HydrophobicContact CB-CD1 3.87Å; L318-I322 HydrophobicContact CB-CG1 3.77Å; L318-I322 HydrophobicContact CD1-CG1 4.23Å; L318-I323 HydrophobicContact CD1-CB 4.27Å; L318-I323 HydrophobicContact CD1-CG1 3.71Å; L318-H326 HydrophobicContact CD1-CB 4.02Å; L318-H326 HydrophobicContact CD2-CB 4.21Å; L318-L345 HydrophobicContact CD2-CB 4.16Å; L318-L345 HydrophobicContact CD2-CD2 3.99Å; L318-L345 HydrophobicContact CD2-CG 4.46Å; L318-I346 PolarHBondContact N-O 3.25Å; L318-C347 HydrophobicContact CD1-CB 4.46Å; L318-C347 HydrophobicContact CG-CB 4.25Å; L318-C347 CarbonylContact O-C 3.45Å; L318-C347 VanDerWaalsContact O-CA 3.25Å; L318-C347 WeakPolarHBondContact O-CA 3.49Å; L318-H348 VanDerWaalsContact C-CD2 3.46Å; L318-H348 PolarHBondContact O-CD2 2.85Å; L318-H348 PolarHBondContact O-N 3.39Å; L318-H348 PolarHBondContact O-NE2 3.2Å
319	G	94.5	Very high	95.5	Very high	13 Å²	13	13.9 Å²	13.9	13%	0.134	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	155.7	166.2	0	0	0	0	0	111.2	D321 I322 H348	G319-D321 PolarHBondContact O-N 2.94Å; G319-D321 VanDerWaalsContact O-N 3.1Å; G319-I322 WeakPolarHBondContact O-CG1 3.48Å; G319-I322 PolarHBondContact O-N 3.38Å; G319-I322 VanDerWaalsContact O-N 3.13Å; G319-H348 WeakPolarHBondContact CA-NE2 3.18Å; G319-H348 PolarHBondContact N-NE2 2.76Å
320	K	92.9	Very high	95.9	Very high	44 Å²	44	12 Å²	12	19%	0.191	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29	-179.4	67.2	179	-178.8	-172.8	0	115.3	W243 I322 I323 C347 H348 H350 D406	W243-K320 HydrophobicContact CH2-CB 3.44Å; W243-K320 VanDerWaalsContact CH2-CB 3.44Å; W243-K320 HydrophobicContact CH2-CD 3.8Å; W243-K320 HydrophobicContact CH2-CG 4.25Å; W243-K320 HydrophobicContact CZ2-CB 3.85Å; W243-K320 HydrophobicContact CZ2-CD 4.49Å; W243-K320 HydrophobicContact CZ3-CB 3.9Å; K320-I322 PolarHBondContact O-N 2.95Å; K320-I323 HydrophobicContact CB-CD1 4.31Å; K320-I323 WeakPolarHBondContact O-CD1 3.36Å; K320-I323 WeakPolarHBondContact O-CG1 3.31Å; K320-C347 WeakPolarHBondContact CA-SG 3.4Å; K320-C347 PolarHBondContact N-SG 3.42Å; K320-H348 PolarHBondContact N-O 3.34Å; K320-H350 WeakPolarHBondContact CE-CE1 3.19Å; K320-H350 WeakPolarHBondContact CE-ND1 3.41Å; K320-H350 PolarHBondContact NZ-ND1 3.2Å; K320-D406 IonicContact NZ-OD1 3.8Å; K320-D406 PolarHBondContact NZ-OD1 3.47Å; K320-D406 IonicContact NZ-OD2 3.27Å; K320-D406 PolarHBondContact NZ-OD2 3.4Å
321	D	89.6	Confident	96.1	Very high	72 Å²	72	12 Å²	12	39%	0.385	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-71.5	-12	-177.4	-60.2	-18.9	0	0	0	113.4	G319 H350	G319-D321 PolarHBondContact O-N 2.94Å; G319-D321 VanDerWaalsContact O-N 3.1Å; D321-H350 VanDerWaalsContact CG-NE2 3.28Å; D321-H350 IonicContact OD1-CE1 3.8Å; D321-H350 PolarHBondContact OD1-CE1 2.76Å; D321-H350 IonicContact OD1-NE2 3.99Å; D321-H350 PolarHBondContact OD1-NE2 2.88Å; D321-H350 IonicContact OD2-CD2 3.26Å; D321-H350 IonicContact OD2-CE1 2.74Å; D321-H350 PolarHBondContact OD2-CE1 3.44Å; D321-H350 VanDerWaalsContact OD2-CE1 3.27Å; D321-H350 IonicContact OD2-NE2 2.86Å; D321-H350 PolarHBondContact OD2-NE2 3.21Å
322	I	93.3	Very high	96.3	Very high	29 Å²	29	11.1 Å²	11.1	15%	0.149	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-119.2	14.9	-174.6	70.8	175.8	0	0	0	113.1	P34 W283 L318 G319 K320 R324 F325 H326	P34-I322 HydrophobicContact CB-CD1 4.23Å; W283-I322 HydrophobicContact CH2-CB 3.96Å; W283-I322 HydrophobicContact CH2-CG2 3.52Å; W283-I322 HydrophobicContact CZ2-CG2 3.99Å; W283-I322 HydrophobicContact CZ3-CB 4.46Å; W283-I322 HydrophobicContact CZ3-CG2 4.46Å; L318-I322 HydrophobicContact CB-CD1 3.87Å; L318-I322 HydrophobicContact CB-CG1 3.77Å; L318-I322 HydrophobicContact CD1-CG1 4.23Å; G319-I322 WeakPolarHBondContact O-CG1 3.48Å; G319-I322 PolarHBondContact O-N 3.38Å; G319-I322 VanDerWaalsContact O-N 3.13Å; K320-I322 PolarHBondContact O-N 2.95Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 2.77Å; I322-F325 HydrophobicContact CB-CD2 3.99Å; I322-F325 HydrophobicContact CG2-CD2 4.39Å; I322-F325 PolarHBondContact O-N 3.22Å; I322-F325 VanDerWaalsContact O-N 3.17Å; I322-H326 PolarHBondContact O-N 2.85Å; I322-H326 PolarHBondContact O-ND1 3.37Å
323	I	95.1	Very high	96.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.5	-44.1	177.8	-67.7	169.1	0	0	0	110.7	W243 A247 M250 L318 K320 F325 H326 A327 C347	W243-I323 HydrophobicContact CB-CD1 4.11Å; W243-I323 HydrophobicContact CD2-CD1 3.57Å; W243-I323 HydrophobicContact CE3-CD1 3.2Å; W243-I323 HydrophobicContact CG-CD1 3.99Å; W243-I323 HydrophobicContact CZ3-CD1 3.8Å; A247-I323 HydrophobicContact CB-CG2 4.5Å; M250-I323 HydrophobicContact SD-CG2 4.21Å; L318-I323 HydrophobicContact CD1-CB 4.27Å; L318-I323 HydrophobicContact CD1-CG1 3.71Å; K320-I323 HydrophobicContact CB-CD1 4.31Å; K320-I323 WeakPolarHBondContact O-CD1 3.36Å; K320-I323 WeakPolarHBondContact O-CG1 3.31Å; I323-F325 PolarHBondContact O-N 2.97Å; I323-F325 VanDerWaalsContact O-N 3.1Å; I323-H326 PolarHBondContact O-N 3.48Å; I323-H326 VanDerWaalsContact O-N 3.07Å; I323-A327 HydrophobicContact CG2-CB 3.9Å; I323-A327 VanDerWaalsContact O-CB 3.31Å; I323-A327 WeakPolarHBondContact O-CB 3.49Å; I323-A327 PolarHBondContact O-N 3.33Å; I323-C347 HydrophobicContact CD1-CB 4.45Å; I323-C347 VanDerWaalsContact CD1-SG 3.56Å; I323-C347 HydrophobicContact CG1-CB 4.44Å
324	R	93.9	Very high	96.5	Very high	29 Å²	29	10.5 Å²	10.5	11%	0.109	6%	0.055	C	C	.	.	H	α-helix	trans	-54.3	-35.7	179.7	68.1	176.7	-80.4	166.6	-4.5	112.5	F182 E201 M250 I322 V328 L329	F182-R324 PolarHBondContact O-NH2 2.88Å; E201-R324 IonicContact OE2-NH1 2.77Å; M250-R324 HydrophobicContact CE-CB 4.26Å; M250-R324 HydrophobicContact SD-CB 3.9Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 2.77Å; R324-V328 WeakPolarHBondContact O-CA 3.44Å; R324-V328 WeakPolarHBondContact O-CB 3.31Å; R324-V328 PolarHBondContact O-N 2.97Å; R324-L329 PolarHBondContact O-N 2.99Å; R324-L329 VanDerWaalsContact O-N 3.12Å
325	F	96.6	Very high	96.6	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.026	6%	0.061	C	C	.	.	I	π-helix	trans	-77	-37.1	-178.3	-53.6	-67.2	0	0	0	111.6	A181 W283 L287 I322 I323 L329 W330	A181-F325 HydrophobicContact CB-CE1 4.47Å; A181-F325 HydrophobicContact CB-CZ 4.07Å; W283-F325 HydrophobicContact CB-CD1 3.85Å; W283-F325 HydrophobicContact CB-CE1 4.15Å; W283-F325 HydrophobicContact CB-CG 4.47Å; W283-F325 AromaticContact CD1-CD1 3.86Å; W283-F325 AromaticContact CD1-CE1 3.36Å; W283-F325 AromaticContact CD1-CZ 3.53Å; W283-F325 HydrophobicContact CD2-CB 4.16Å; W283-F325 AromaticContact CD2-CD1 3.63Å; W283-F325 HydrophobicContact CD2-CD1 3.63Å; W283-F325 AromaticContact CD2-CD2 3.61Å; W283-F325 HydrophobicContact CD2-CD2 3.61Å; W283-F325 AromaticContact CD2-CE1 3.85Å; W283-F325 HydrophobicContact CD2-CE1 3.85Å; W283-F325 AromaticContact CD2-CE2 3.85Å; W283-F325 HydrophobicContact CD2-CE2 3.85Å; W283-F325 AromaticContact CD2-CG 3.5Å; W283-F325 HydrophobicContact CD2-CG 3.5Å; W283-F325 AromaticContact CD2-CZ 3.96Å; W283-F325 HydrophobicContact CD2-CZ 3.96Å; W283-F325 AromaticContact CE2-CD2 3.47Å; W283-F325 VanDerWaalsContact CE2-CD2 3.47Å; W283-F325 AromaticContact CE2-CE1 3.9Å; W283-F325 AromaticContact CE2-CE2 3.28Å; W283-F325 AromaticContact CE2-CG 3.87Å; W283-F325 AromaticContact CE2-CZ 3.51Å; W283-F325 HydrophobicContact CE3-CB 3.79Å; W283-F325 HydrophobicContact CE3-CD1 4.15Å; W283-F325 AromaticContact CE3-CD2 3.82Å; W283-F325 HydrophobicContact CE3-CD2 3.82Å; W283-F325 HydrophobicContact CE3-CE2 4.47Å; W283-F325 AromaticContact CE3-CG 3.63Å; W283-F325 HydrophobicContact CE3-CG 3.63Å; W283-F325 AromaticContact CG-CD1 3.48Å; W283-F325 HydrophobicContact CG-CD1 3.48Å; W283-F325 VanDerWaalsContact CG-CD1 3.48Å; W283-F325 HydrophobicContact CG-CD2 4.31Å; W283-F325 AromaticContact CG-CE1 3.51Å; W283-F325 HydrophobicContact CG-CE1 3.51Å; W283-F325 HydrophobicContact CG-CE2 4.35Å; W283-F325 AromaticContact CG-CG 3.91Å; W283-F325 HydrophobicContact CG-CG 3.91Å; W283-F325 AromaticContact CG-CZ 3.96Å; W283-F325 HydrophobicContact CG-CZ 3.96Å; W283-F325 AromaticContact CH2-CD2 3.8Å; W283-F325 HydrophobicContact CH2-CD2 3.8Å; W283-F325 HydrophobicContact CH2-CE2 4.17Å; W283-F325 HydrophobicContact CH2-CG 4.46Å; W283-F325 AromaticContact CZ2-CD2 3.56Å; W283-F325 HydrophobicContact CZ2-CD2 3.56Å; W283-F325 AromaticContact CZ2-CE2 3.46Å; W283-F325 HydrophobicContact CZ2-CE2 3.46Å; W283-F325 VanDerWaalsContact CZ2-CE2 3.46Å; W283-F325 HydrophobicContact CZ2-CG 4.33Å; W283-F325 HydrophobicContact CZ2-CZ 4.15Å; W283-F325 HydrophobicContact CZ3-CB 4.19Å; W283-F325 AromaticContact CZ3-CD2 3.92Å; W283-F325 HydrophobicContact CZ3-CD2 3.92Å; W283-F325 HydrophobicContact CZ3-CG 4.13Å; W283-F325 AromaticContact NE1-CE1 3.56Å; W283-F325 AromaticContact NE1-CE2 3.47Å; W283-F325 AromaticContact NE1-CZ 3.18Å; L287-F325 HydrophobicContact CD1-CB 4.42Å; I322-F325 HydrophobicContact CB-CD2 3.99Å; I322-F325 HydrophobicContact CG2-CD2 4.39Å; I322-F325 PolarHBondContact O-N 3.22Å; I322-F325 VanDerWaalsContact O-N 3.17Å; I323-F325 PolarHBondContact O-N 2.97Å; I323-F325 VanDerWaalsContact O-N 3.1Å; F325-L329 HydrophobicContact CD1-CD2 4.19Å; F325-W330 WeakPolarHBondContact O-CB 3.15Å; F325-W330 PolarHBondContact O-N 3.37Å
326	H	97.7	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-90.5	-25.4	-175.8	-66.9	73.8	0	0	0	114.1	Y290 L318 I322 I323 P331 L345	Y290-H326 AromaticContact CE2-CD2 3.86Å; Y290-H326 AromaticContact CE2-NE2 3.39Å; Y290-H326 WeakPolarHBondContact CE2-NE2 3.44Å; Y290-H326 AromaticContact CZ-NE2 3.53Å; Y290-H326 PolarHBondContact OH-NE2 3.49Å; L318-H326 HydrophobicContact CD1-CB 4.02Å; L318-H326 HydrophobicContact CD2-CB 4.21Å; I322-H326 PolarHBondContact O-N 2.85Å; I322-H326 PolarHBondContact O-ND1 3.37Å; I323-H326 PolarHBondContact O-N 3.48Å; I323-H326 VanDerWaalsContact O-N 3.07Å; H326-P331 WeakPolarHBondContact O-CD 3.27Å; H326-L345 HydrophobicContact CB-CD1 4.38Å
327	A	97.8	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-105.4	-10.4	-177.6	0	0	0	0	0	113.6	L229 F234 A247 I323 L345	L229-A327 HydrophobicContact CD2-CB 4.48Å; F234-A327 HydrophobicContact CE2-CB 4.44Å; F234-A327 HydrophobicContact CZ-CB 4.24Å; A247-A327 HydrophobicContact CB-CB 3.77Å; I323-A327 HydrophobicContact CG2-CB 3.9Å; I323-A327 VanDerWaalsContact O-CB 3.31Å; I323-A327 WeakPolarHBondContact O-CB 3.49Å; I323-A327 PolarHBondContact O-N 3.33Å; A327-L345 HydrophobicContact CB-CD1 4.02Å
328	V	97.6	Very high	96.5	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	11%	0.107	C	C	.	.	I	π-helix	trans	-126.5	-65.6	179.4	-168.6	0	0	0	0	111.2	L218 L225 M250 V251 R324 A332	L218-V328 HydrophobicContact CD1-CG1 4.19Å; L218-V328 HydrophobicContact CD2-CG1 4.14Å; L225-V328 HydrophobicContact CD1-CG1 4.21Å; M250-V328 HydrophobicContact CB-CG2 3.76Å; V251-V328 HydrophobicContact CG2-CB 4.49Å; V251-V328 HydrophobicContact CG2-CG1 4.16Å; V251-V328 HydrophobicContact CG2-CG2 3.93Å; R324-V328 WeakPolarHBondContact O-CA 3.44Å; R324-V328 WeakPolarHBondContact O-CB 3.31Å; R324-V328 PolarHBondContact O-N 2.97Å; V328-A332 VanDerWaalsContact O-CB 3.27Å; V328-A332 WeakPolarHBondContact O-CB 3.36Å; V328-A332 PolarHBondContact O-N 2.84Å
329	L	97.5	Very high	96.6	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	11%	0.112	C	C	.	.	I	π-helix	trans	-65.4	-54.2	-173.9	178.6	59.8	0	0	0	111.9	F216 I257 Y281 W283 L287 R324 F325 A332 L333	F216-L329 HydrophobicContact CD1-CD1 4.26Å; I257-L329 HydrophobicContact CG2-CD1 4.02Å; Y281-L329 HydrophobicContact CE1-CD2 4.19Å; W283-L329 HydrophobicContact CB-CD2 4.18Å; L287-L329 HydrophobicContact CD1-CB 4.45Å; L287-L329 HydrophobicContact CD1-CD2 4.01Å; L287-L329 HydrophobicContact CD1-CG 4.09Å; R324-L329 PolarHBondContact O-N 2.99Å; R324-L329 VanDerWaalsContact O-N 3.12Å; F325-L329 HydrophobicContact CD1-CD2 4.19Å; L329-A332 PolarHBondContact O-N 3.49Å; L329-L333 HydrophobicContact CD1-CD1 3.95Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 4Å; L329-L333 HydrophobicContact CG-CD1 3.89Å; L329-L333 HydrophobicContact CG-CG 4.36Å; L329-L333 WeakPolarHBondContact O-CG 3.32Å; L329-L333 PolarHBondContact O-N 3.36Å
330	W	98.2	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-54	-175.8	-174.9	-139.8	0	0	0	114.1	F156 L287 I288 L291 W311 F325 A332 L333 L334	F156-W330 HydrophobicContact CE2-CH2 4.31Å; F156-W330 HydrophobicContact CE2-CZ3 4.15Å; F156-W330 HydrophobicContact CZ-CZ3 4.07Å; L287-W330 HydrophobicContact CB-CD2 3.95Å; L287-W330 HydrophobicContact CB-CE3 3.66Å; L287-W330 HydrophobicContact CB-CG 4.38Å; L287-W330 HydrophobicContact CB-CZ3 4.12Å; L287-W330 HydrophobicContact CD1-CB 3.73Å; L287-W330 HydrophobicContact CD1-CE3 4.32Å; L287-W330 HydrophobicContact CD1-CG 4.35Å; L287-W330 HydrophobicContact CD2-CB 3.84Å; L287-W330 HydrophobicContact CD2-CD2 4.43Å; L287-W330 HydrophobicContact CD2-CG 4Å; L287-W330 HydrophobicContact CG-CB 4.26Å; L287-W330 HydrophobicContact CG-CE3 4.49Å; L287-W330 HydrophobicContact CG-CG 4.47Å; I288-W330 HydrophobicContact CG1-CH2 4.39Å; I288-W330 HydrophobicContact CG1-CZ3 4.15Å; L291-W330 HydrophobicContact CB-CH2 4.41Å; W311-W330 AromaticContact CH2-CZ2 3.6Å; W311-W330 HydrophobicContact CH2-CZ2 3.6Å; W311-W330 HydrophobicContact CZ2-CZ2 4.19Å; F325-W330 WeakPolarHBondContact O-CB 3.15Å; F325-W330 PolarHBondContact O-N 3.37Å; W330-A332 VanDerWaalsContact C-N 3.27Å; W330-A332 PolarHBondContact O-N 2.97Å; W330-L333 HydrophobicContact CE3-CB 4.23Å; W330-L333 HydrophobicContact CE3-CD1 4.32Å; W330-L333 WeakPolarHBondContact O-CB 3.38Å; W330-L333 PolarHBondContact O-N 2.93Å; W330-L334 HydrophobicContact CD2-CD1 3.97Å; W330-L334 HydrophobicContact CD2-CG 4.01Å; W330-L334 HydrophobicContact CE3-CD2 4.5Å; W330-L334 HydrophobicContact CE3-CG 4.1Å; W330-L334 HydrophobicContact CG-CD1 4.33Å; W330-L334 HydrophobicContact CH2-CD2 3.6Å; W330-L334 HydrophobicContact CH2-CG 4.06Å; W330-L334 HydrophobicContact CZ2-CD1 3.95Å; W330-L334 HydrophobicContact CZ2-CD2 3.71Å; W330-L334 HydrophobicContact CZ2-CG 3.98Å; W330-L334 HydrophobicContact CZ3-CD2 4.02Å; W330-L334 HydrophobicContact CZ3-CG 4.11Å; W330-L334 WeakPolarHBondContact O-CG 3.33Å; W330-L334 PolarHBondContact O-N 3.42Å
331	P	98.6	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-35.3	178.2	22.9	-34.8	0	0	0	112.2	L225 W228 H326 L334 M335 L341	L225-P331 HydrophobicContact CD2-CB 3.74Å; L225-P331 HydrophobicContact CD2-CG 3.57Å; W228-P331 HydrophobicContact CD2-CB 4.34Å; W228-P331 HydrophobicContact CE3-CB 4.07Å; W228-P331 HydrophobicContact CE3-CG 4.15Å; W228-P331 HydrophobicContact CH2-CB 3.98Å; W228-P331 HydrophobicContact CH2-CG 3.83Å; W228-P331 HydrophobicContact CZ2-CB 4.24Å; W228-P331 HydrophobicContact CZ3-CB 3.92Å; W228-P331 HydrophobicContact CZ3-CG 3.62Å; H326-P331 WeakPolarHBondContact O-CD 3.27Å; P331-L334 PolarHBondContact O-N 3.23Å; P331-M335 VanDerWaalsContact O-CG 3.23Å; P331-M335 WeakPolarHBondContact O-CG 3.4Å; P331-M335 PolarHBondContact O-N 3.24Å; P331-L341 HydrophobicContact CB-CD2 4.19Å; P331-L341 WeakPolarHBondContact O-CD2 3.01Å
332	A	98.6	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-42.6	175.8	0	0	0	0	0	112.3	F216 L218 F221 L225 V328 L329 W330 L334 M335 A336	F216-A332 HydrophobicContact CE1-CB 3.77Å; F216-A332 HydrophobicContact CZ-CB 4.03Å; L218-A332 HydrophobicContact CD1-CB 3.31Å; F221-A332 HydrophobicContact CB-CB 4.1Å; F221-A332 HydrophobicContact CD2-CB 4.48Å; F221-A332 HydrophobicContact CG-CB 4.31Å; L225-A332 HydrophobicContact CD1-CB 4.17Å; L225-A332 HydrophobicContact CD2-CB 4.27Å; V328-A332 VanDerWaalsContact O-CB 3.27Å; V328-A332 WeakPolarHBondContact O-CB 3.36Å; V328-A332 PolarHBondContact O-N 2.84Å; L329-A332 PolarHBondContact O-N 3.49Å; W330-A332 VanDerWaalsContact C-N 3.27Å; W330-A332 PolarHBondContact O-N 2.97Å; A332-L334 VanDerWaalsContact C-N 3.32Å; A332-L334 PolarHBondContact O-N 3.08Å; A332-M335 PolarHBondContact O-N 2.71Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 2.97Å
333	L	98.7	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.4	-44.8	174.5	-71.9	174	0	0	0	111	F156 L160 F216 F284 L329 W330 A336 V337	F156-L333 HydrophobicContact CE1-CB 4.02Å; F156-L333 HydrophobicContact CE1-CD2 4.47Å; F156-L333 HydrophobicContact CZ-CB 3.9Å; L160-L333 HydrophobicContact CD1-CD2 4.4Å; L160-L333 HydrophobicContact CD2-CD2 3.77Å; F216-L333 HydrophobicContact CD1-CD2 3.95Å; F216-L333 HydrophobicContact CD2-CD2 4.3Å; F216-L333 HydrophobicContact CE1-CD2 3.93Å; F216-L333 HydrophobicContact CE1-CG 4.31Å; F216-L333 HydrophobicContact CE2-CD2 4.3Å; F216-L333 HydrophobicContact CG-CD2 4.15Å; F216-L333 HydrophobicContact CZ-CD2 4.12Å; F284-L333 HydrophobicContact CD2-CD1 3.8Å; F284-L333 HydrophobicContact CD2-CD2 3.86Å; F284-L333 HydrophobicContact CE2-CD1 4.19Å; F284-L333 HydrophobicContact CE2-CD2 3.61Å; L329-L333 HydrophobicContact CD1-CD1 3.95Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 4Å; L329-L333 HydrophobicContact CG-CD1 3.89Å; L329-L333 HydrophobicContact CG-CG 4.36Å; L329-L333 WeakPolarHBondContact O-CG 3.32Å; L329-L333 PolarHBondContact O-N 3.36Å; W330-L333 HydrophobicContact CE3-CB 4.23Å; W330-L333 HydrophobicContact CE3-CD1 4.32Å; W330-L333 WeakPolarHBondContact O-CB 3.38Å; W330-L333 PolarHBondContact O-N 2.93Å; L333-A336 PolarHBondContact O-N 2.95Å; L333-V337 PolarHBondContact O-N 3.02Å
334	L	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-43	177	-69	172.2	0	0	0	112.6	F156 W311 W330 P331 A332 A336 V337 N338 L339 L341 P342	F156-L334 HydrophobicContact CE2-CD2 4.26Å; W311-L334 HydrophobicContact CH2-CD1 4.38Å; W311-L334 HydrophobicContact CH2-CD2 4.38Å; W311-L334 HydrophobicContact CZ2-CD1 3.81Å; W311-L334 HydrophobicContact CZ2-CD2 3.67Å; W311-L334 HydrophobicContact CZ2-CG 4.42Å; W330-L334 HydrophobicContact CD2-CD1 3.97Å; W330-L334 HydrophobicContact CD2-CG 4.01Å; W330-L334 HydrophobicContact CE3-CD2 4.5Å; W330-L334 HydrophobicContact CE3-CG 4.1Å; W330-L334 HydrophobicContact CG-CD1 4.33Å; W330-L334 HydrophobicContact CH2-CD2 3.6Å; W330-L334 HydrophobicContact CH2-CG 4.06Å; W330-L334 HydrophobicContact CZ2-CD1 3.95Å; W330-L334 HydrophobicContact CZ2-CD2 3.71Å; W330-L334 HydrophobicContact CZ2-CG 3.98Å; W330-L334 HydrophobicContact CZ3-CD2 4.02Å; W330-L334 HydrophobicContact CZ3-CG 4.11Å; W330-L334 WeakPolarHBondContact O-CG 3.33Å; W330-L334 PolarHBondContact O-N 3.42Å; P331-L334 PolarHBondContact O-N 3.23Å; A332-L334 VanDerWaalsContact C-N 3.32Å; A332-L334 PolarHBondContact O-N 3.08Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 2.69Å; L334-V337 CarbonylContact O-C 3.59Å; L334-V337 PolarHBondContact O-N 2.74Å; L334-N338 PolarHBondContact O-N 2.98Å; L334-L339 HydrophobicContact CB-CB 4.39Å; L334-L339 HydrophobicContact CD2-CB 3.8Å; L334-L339 HydrophobicContact CD2-CD1 3.98Å; L334-L339 PolarHBondContact O-N 2.8Å; L334-L341 HydrophobicContact CB-CD2 3.54Å; L334-L341 HydrophobicContact CD1-CD2 4.08Å; L334-L341 HydrophobicContact CG-CD2 4.49Å; L334-P342 HydrophobicContact CD1-CG 4.44Å
335	M	98.6	Very high	97.8	Very high	40 Å²	40	25.6 Å²	25.6	20%	0.197	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-43.8	174	-72.2	172.4	-174.5	0	0	111.2	F221 D224 L225 W228 P331 A332 V337 N338 L341	F221-M335 HydrophobicContact CB-SD 4.42Å; F221-M335 HydrophobicContact CD1-CB 3.67Å; F221-M335 HydrophobicContact CD1-SD 4.12Å; F221-M335 HydrophobicContact CE1-CB 3.83Å; D224-M335 HydrophobicContact CB-CE 4.09Å; D224-M335 HydrophobicContact CB-SD 3.79Å; D224-M335 WeakPolarHBondContact O-CE 3.45Å; L225-M335 HydrophobicContact CD2-CE 3.93Å; L225-M335 HydrophobicContact CD2-SD 4.18Å; L225-M335 HydrophobicContact CG-CE 4.38Å; L225-M335 HydrophobicContact CG-SD 4.35Å; W228-M335 HydrophobicContact CB-CE 4.01Å; P331-M335 VanDerWaalsContact O-CG 3.23Å; P331-M335 WeakPolarHBondContact O-CG 3.4Å; P331-M335 PolarHBondContact O-N 3.24Å; A332-M335 PolarHBondContact O-N 2.71Å; M335-V337 PolarHBondContact O-N 2.88Å; M335-N338 PolarHBondContact O-N 2.91Å; M335-L341 HydrophobicContact CE-CD1 3.39Å; M335-L341 HydrophobicContact CG-CD1 4.22Å; M335-L341 HydrophobicContact CG-CD2 4.01Å
336	A	98.5	Very high	97.8	Very high	9 Å²	9	25.3 Å²	25.3	7%	0.074	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-21.7	-178.4	0	0	0	0	0	113.9	L160 S163 N165 F216 F221 A332 L333 L334	L160-A336 HydrophobicContact CD1-CB 3.37Å; S163-A336 WeakPolarHBondContact CB-O 3.2Å; S163-A336 PolarHBondContact OG-O 3.01Å; N165-A336 HydrophobicContact CB-CB 4.33Å; F216-A336 HydrophobicContact CE2-CB 3.72Å; F216-A336 HydrophobicContact CZ-CB 4Å; F221-A336 HydrophobicContact CE1-CB 4.06Å; F221-A336 HydrophobicContact CE2-CB 4.03Å; F221-A336 HydrophobicContact CZ-CB 3.46Å; F221-A336 VanDerWaalsContact CZ-CB 3.46Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 2.97Å; L333-A336 PolarHBondContact O-N 2.95Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 2.69Å
337	V	97.8	Very high	97.7	Very high	20 Å²	20	25.3 Å²	25.3	12%	0.121	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	12.4	173.7	-58.2	0	0	0	0	113.2	F156 R159 L160 L333 L334 M335 L339	F156-V337 HydrophobicContact CD2-CG2 4.35Å; F156-V337 HydrophobicContact CE1-CG1 4.27Å; F156-V337 HydrophobicContact CE1-CG2 4.49Å; F156-V337 HydrophobicContact CE2-CG2 3.58Å; F156-V337 HydrophobicContact CZ-CG1 4.23Å; F156-V337 HydrophobicContact CZ-CG2 3.65Å; R159-V337 HydrophobicContact CB-CB 4.27Å; R159-V337 HydrophobicContact CB-CG1 3.82Å; L160-V337 HydrophobicContact CB-CG1 3.97Å; L160-V337 HydrophobicContact CD1-CG1 4.06Å; L333-V337 PolarHBondContact O-N 3.02Å; L334-V337 CarbonylContact O-C 3.59Å; L334-V337 PolarHBondContact O-N 2.74Å; M335-V337 PolarHBondContact O-N 2.88Å; V337-L339 HydrophobicContact CG2-CB 4.24Å; V337-L339 HydrophobicContact CG2-CD1 3.72Å; V337-L339 HydrophobicContact CG2-CG 3.85Å; V337-L339 PolarHBondContact O-N 2.85Å
338	N	97	Very high	97.7	Very high	149 Å²	149	26 Å²	26	80%	0.797	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	44.6	178.9	-166	34.4	0	0	0	114	L334 M335	L334-N338 PolarHBondContact O-N 2.98Å; M335-N338 PolarHBondContact O-N 2.91Å
339	L	96.7	Very high	97.6	Very high	20 Å²	20	27 Å²	27	11%	0.105	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-102.7	146.9	173.7	-74.6	175.9	0	0	0	111.8	F156 L291 W298 L334 V337	F156-L339 HydrophobicContact CE2-CD1 4.13Å; L291-L339 HydrophobicContact CD1-CD1 4.3Å; L291-L339 HydrophobicContact CD2-CD1 3.71Å; W298-L339 HydrophobicContact CH2-CD2 4.16Å; W298-L339 HydrophobicContact CZ3-CD2 3.83Å; L334-L339 HydrophobicContact CB-CB 4.39Å; L334-L339 HydrophobicContact CD2-CB 3.8Å; L334-L339 HydrophobicContact CD2-CD1 3.98Å; L334-L339 PolarHBondContact O-N 2.8Å; V337-L339 HydrophobicContact CG2-CB 4.24Å; V337-L339 HydrophobicContact CG2-CD1 3.72Å; V337-L339 HydrophobicContact CG2-CG 3.85Å; V337-L339 PolarHBondContact O-N 2.85Å
340	P	96.8	Very high	97.4	Very high	69 Å²	69	28.2 Å²	28.2	45%	0.448	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-56.4	142.3	173.9	-25.8	34.2	0	0	0	112.6	W311 P312	W311-P340 PolarHBondContact NE1-O 3.49Å; P312-P340 HydrophobicContact CB-CB 4.01Å; P312-P340 HydrophobicContact CG-CB 3.81Å
341	L	98.4	Very high	97.2	Very high	36 Å²	36	28.5 Å²	28.5	19%	0.188	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-88.2	156.8	-177.3	-52.8	179.3	0	0	0	111.8	W228 P312 P331 L334 M335	W228-L341 HydrophobicContact CB-CD1 4.03Å; W228-L341 HydrophobicContact CD2-CD1 4.21Å; W228-L341 HydrophobicContact CG-CD1 3.59Å; P312-L341 VanDerWaalsContact CB-O 3.24Å; P312-L341 WeakPolarHBondContact CB-O 3.37Å; P312-L341 WeakPolarHBondContact CG-O 3.46Å; P331-L341 HydrophobicContact CB-CD2 4.19Å; P331-L341 WeakPolarHBondContact O-CD2 3.01Å; L334-L341 HydrophobicContact CB-CD2 3.54Å; L334-L341 HydrophobicContact CD1-CD2 4.08Å; L334-L341 HydrophobicContact CG-CD2 4.49Å; M335-L341 HydrophobicContact CE-CD1 3.39Å; M335-L341 HydrophobicContact CG-CD1 4.22Å; M335-L341 HydrophobicContact CG-CD2 4.01Å
342	P	97.8	Very high	96.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.013	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-53.8	140.3	170.3	-24.1	34.3	0	0	0	111.8	W228 P313 Q316 L334 L345	W228-P342 HydrophobicContact CZ2-CB 4.44Å; W228-P342 PolarHBondContact NE1-O 2.9Å; P313-P342 HydrophobicContact CG-CB 4.12Å; P313-P342 HydrophobicContact CG-CG 4.25Å; Q316-P342 HydrophobicContact CG-CB 4.23Å; Q316-P342 VanDerWaalsContact OE1-CB 3.3Å; L334-P342 HydrophobicContact CD1-CG 4.44Å; P342-L345 HydrophobicContact CB-CD2 4.3Å
343	R	97	Very high	96.4	Very high	137 Å²	137	30.6 Å²	30.6	52%	0.517	16%	0.156	S	C	.	.	S	Bend	trans	-85	-41.2	-175.7	-67.7	176.1	168.2	179.5	-5.8	113.1	P312 P313 D314	P312-R343 HydrophobicContact CG-CG 4.34Å; P313-R343 PolarHBondContact O-N 2.89Å; P313-R343 VanDerWaalsContact O-N 3.12Å; D314-R343 VanDerWaalsContact OD1-CD 3.31Å; D314-R343 WeakPolarHBondContact OD1-CD 3.36Å; D314-R343 IonicContact OD1-CZ 3.77Å; D314-R343 IonicContact OD1-NE 3.26Å; D314-R343 IonicContact OD1-NH1 3.56Å; D314-R343 PolarHBondContact OD1-NH1 2.92Å
344	L	96.9	Very high	95.9	Very high	37 Å²	37	35.5 Å²	35.5	19%	0.194	18%	0.182	C	C	.	.			trans	-137	130.4	-179.5	-162.9	73.3	0	0	0	110.3	V233 P235 D314 V315 Q316 I346	V233-L344 CarbonylContact O-C 3.56Å; V233-L344 WeakPolarHBondContact O-CA 3.46Å; V233-L344 WeakPolarHBondContact O-CD1 3.02Å; P235-L344 HydrophobicContact CG-CD1 4.06Å; D314-L344 WeakPolarHBondContact O-CB 3.34Å; D314-L344 PolarHBondContact O-N 2.79Å; V315-L344 CarbonylContact C-O 3.56Å; V315-L344 WeakPolarHBondContact CA-O 3.3Å; V315-L344 HydrophobicContact CG1-CD2 4.36Å; V315-L344 HydrophobicContact CG2-CB 4.29Å; V315-L344 HydrophobicContact CG2-CD2 4.02Å; Q316-L344 PolarHBondContact N-O 3.13Å; L344-I346 HydrophobicContact CD2-CD1 3.88Å; L344-I346 HydrophobicContact CD2-CG1 3.92Å; L344-I346 HydrophobicContact CG-CD1 4.05Å; L344-I346 HydrophobicContact CG-CG1 4.07Å
345	L	97.7	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	168.6	-67.4	-170.7	0	0	0	109	W228 V233 F234 Q316 L318 H326 A327 P342	W228-L345 HydrophobicContact CH2-CD1 3.87Å; W228-L345 HydrophobicContact CH2-CG 4.43Å; V233-L345 HydrophobicContact CG2-CB 4.26Å; V233-L345 HydrophobicContact CG2-CD1 4.39Å; V233-L345 HydrophobicContact CG2-CG 3.79Å; V233-L345 PolarHBondContact O-N 3.11Å; F234-L345 HydrophobicContact CD1-CB 4.08Å; F234-L345 HydrophobicContact CE1-CB 3.64Å; F234-L345 HydrophobicContact CE1-CD1 4.27Å; F234-L345 HydrophobicContact CE2-CD1 4.23Å; F234-L345 HydrophobicContact CZ-CB 3.94Å; F234-L345 HydrophobicContact CZ-CD1 3.72Å; F234-L345 HydrophobicContact CZ-CG 4.46Å; Q316-L345 HydrophobicContact CB-CD2 3.8Å; Q316-L345 HydrophobicContact CG-CD2 4.32Å; L318-L345 HydrophobicContact CD2-CB 4.16Å; L318-L345 HydrophobicContact CD2-CD2 3.99Å; L318-L345 HydrophobicContact CD2-CG 4.46Å; H326-L345 HydrophobicContact CB-CD1 4.38Å; A327-L345 HydrophobicContact CB-CD1 4.02Å; P342-L345 HydrophobicContact CB-CD2 4.3Å
346	I	97.2	Very high	94.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.9	176.4	-61.6	-71.9	0	0	0	107.8	W56 P235 V315 Q316 F317 L318 L344 L403 A484	W56-I346 HydrophobicContact CE3-CG1 4.49Å; W56-I346 HydrophobicContact CH2-CB 3.67Å; W56-I346 HydrophobicContact CH2-CD1 3.67Å; W56-I346 HydrophobicContact CH2-CG1 3.35Å; W56-I346 HydrophobicContact CH2-CG2 3.27Å; W56-I346 HydrophobicContact CZ3-CB 3.48Å; W56-I346 VanDerWaalsContact CZ3-CB 3.48Å; W56-I346 HydrophobicContact CZ3-CD1 4.13Å; W56-I346 HydrophobicContact CZ3-CG1 3.29Å; W56-I346 HydrophobicContact CZ3-CG2 3.47Å; W56-I346 VanDerWaalsContact CZ3-CG2 3.47Å; P235-I346 HydrophobicContact CG-CD1 3.31Å; V315-I346 HydrophobicContact CG1-CB 4.42Å; V315-I346 HydrophobicContact CG1-CG1 3.89Å; Q316-I346 PolarHBondContact O-N 3.48Å; F317-I346 WeakPolarHBondContact CA-O 3.48Å; F317-I346 HydrophobicContact CD1-CB 4.02Å; F317-I346 HydrophobicContact CD1-CG2 3.85Å; F317-I346 HydrophobicContact CE1-CB 4.29Å; F317-I346 HydrophobicContact CE1-CG2 3.92Å; L318-I346 PolarHBondContact N-O 3.25Å; L344-I346 HydrophobicContact CD2-CD1 3.88Å; L344-I346 HydrophobicContact CD2-CG1 3.92Å; L344-I346 HydrophobicContact CG-CD1 4.05Å; L344-I346 HydrophobicContact CG-CG1 4.07Å; I346-L403 HydrophobicContact CG2-CD1 4.11Å; I346-L403 HydrophobicContact CG2-CD2 3.68Å; I346-A484 HydrophobicContact CD1-CB 4.08Å
347	C	96.6	Very high	94.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.1	-175.6	175.9	0	0	0	0	111.1	Q240 W243 L318 K320 I323	Q240-C347 PolarHBondContact NE2-O 3Å; Q240-C347 PolarHBondContact OE1-O 3.17Å; W243-C347 VanDerWaalsContact CD1-CB 3.47Å; W243-C347 HydrophobicContact CD2-CB 4.31Å; W243-C347 VanDerWaalsContact CE2-SG 3.55Å; W243-C347 HydrophobicContact CG-CB 3.89Å; W243-C347 PolarHBondContact NE1-O 3.27Å; L318-C347 HydrophobicContact CD1-CB 4.46Å; L318-C347 HydrophobicContact CG-CB 4.25Å; L318-C347 CarbonylContact O-C 3.45Å; L318-C347 VanDerWaalsContact O-CA 3.25Å; L318-C347 WeakPolarHBondContact O-CA 3.49Å; K320-C347 WeakPolarHBondContact CA-SG 3.4Å; K320-C347 PolarHBondContact N-SG 3.42Å; I323-C347 HydrophobicContact CD1-CB 4.45Å; I323-C347 VanDerWaalsContact CD1-SG 3.56Å; I323-C347 HydrophobicContact CG1-CB 4.44Å
348	H	96.2	Very high	93.6	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.065	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	156.2	178	71.4	81.8	0	0	0	113.2	Y48 T49 L318 G319 K320 L402 L403	Y48-H348 AromaticContact CD1-ND1 3.9Å; Y48-H348 HydrophobicContact CE1-CB 3.63Å; Y48-H348 AromaticContact CE1-CG 3.61Å; Y48-H348 AromaticContact CE1-ND1 3.82Å; T49-H348 VanDerWaalsContact CG2-NE2 3.35Å; T49-H348 WeakPolarHBondContact CG2-NE2 3.34Å; T49-H348 PolarHBondContact OG1-CE1 3.1Å; T49-H348 PolarHBondContact OG1-NE2 2.98Å; L318-H348 VanDerWaalsContact C-CD2 3.46Å; L318-H348 PolarHBondContact O-CD2 2.85Å; L318-H348 PolarHBondContact O-N 3.39Å; L318-H348 PolarHBondContact O-NE2 3.2Å; G319-H348 WeakPolarHBondContact CA-NE2 3.18Å; G319-H348 PolarHBondContact N-NE2 2.76Å; K320-H348 PolarHBondContact N-O 3.34Å; H348-L402 CarbonylContact C-O 3.18Å; H348-L402 WeakPolarHBondContact CA-O 3.36Å; H348-L403 HydrophobicContact CB-CD2 3.64Å
349	H	95.3	Very high	93	Very high	28 Å²	28	40.6 Å²	40.6	13%	0.13	21%	0.208	C	C	.	.			trans	-82	176.2	176.5	-76.8	-94.2	0	0	0	112.5	W243 L402 T404 Y405 D406	W243-H349 AromaticContact CH2-CE1 3.82Å; W243-H349 AromaticContact CZ2-CD2 3.86Å; W243-H349 AromaticContact CZ2-CE1 3.57Å; W243-H349 AromaticContact CZ2-NE2 3.32Å; W243-H349 VanDerWaalsContact CZ2-NE2 3.32Å; W243-H349 WeakPolarHBondContact CZ2-NE2 3.47Å; H349-L402 HydrophobicContact CB-CD2 4.33Å; H349-L402 VanDerWaalsContact CB-O 3.31Å; H349-L402 WeakPolarHBondContact CB-O 3.49Å; H349-L402 PolarHBondContact CD2-O 3.37Å; H349-L402 PolarHBondContact N-O 2.73Å; H349-T404 PolarHBondContact NE2-O 2.94Å; H349-Y405 VanDerWaalsContact CB-O 3.27Å; H349-Y405 WeakPolarHBondContact CB-O 3.43Å; H349-Y405 PolarHBondContact CD2-N 2.86Å; H349-D406 WeakPolarHBondContact CB-OD1 3.27Å; H349-D406 IonicContact CG-OD1 3.91Å; H349-D406 IonicContact ND1-OD1 2.66Å; H349-D406 PolarHBondContact ND1-OD1 3.46Å
350	H	93.6	Very high	92.1	Very high	30 Å²	30	44 Å²	44	14%	0.139	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-81	138.8	-178.9	-65.2	137.4	0	0	0	112	K320 D321 L352 K357 L402 D406 G407	K320-H350 WeakPolarHBondContact CE-CE1 3.19Å; K320-H350 WeakPolarHBondContact CE-ND1 3.41Å; K320-H350 PolarHBondContact NZ-ND1 3.2Å; D321-H350 VanDerWaalsContact CG-NE2 3.28Å; D321-H350 IonicContact OD1-CE1 3.8Å; D321-H350 PolarHBondContact OD1-CE1 2.76Å; D321-H350 IonicContact OD1-NE2 3.99Å; D321-H350 PolarHBondContact OD1-NE2 2.88Å; D321-H350 IonicContact OD2-CD2 3.26Å; D321-H350 IonicContact OD2-CE1 2.74Å; D321-H350 PolarHBondContact OD2-CE1 3.44Å; D321-H350 VanDerWaalsContact OD2-CE1 3.27Å; D321-H350 IonicContact OD2-NE2 2.86Å; D321-H350 PolarHBondContact OD2-NE2 3.21Å; H350-L352 HydrophobicContact CB-CD2 4.23Å; H350-L352 PolarHBondContact O-N 3.27Å; H350-K357 VanDerWaalsContact CE1-CE 3.44Å; H350-K357 WeakPolarHBondContact CE1-CE 3.41Å; H350-K357 PolarHBondContact CE1-NZ 3.14Å; H350-L402 WeakPolarHBondContact O-CD2 3.28Å; H350-D406 PolarHBondContact N-OD1 2.84Å; H350-D406 WeakPolarHBondContact O-CA 3.04Å; H350-G407 PolarHBondContact O-N 3.39Å; H350-G407 VanDerWaalsContact O-N 3.13Å
351	V	94.3	Very high	91.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.8	159.7	-175	0	0	0	0	107.6	L44 Y48 M358 L400 L402	L44-V351 HydrophobicContact CB-CG1 4.18Å; Y48-V351 HydrophobicContact CG-CG2 4.35Å; V351-M358 HydrophobicContact CB-CE 3.75Å; V351-M358 HydrophobicContact CG1-CE 3.96Å; V351-M358 WeakPolarHBondContact O-CE 3.17Å; V351-L400 HydrophobicContact CG1-CD1 4.48Å; V351-L402 HydrophobicContact CG2-CD1 3.55Å
352	L	93.1	Very high	90.1	Very high	29 Å²	29	52.2 Å²	52.2	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	148.3	169.9	-48.1	-179.6	0	0	0	108.6	H350 V356 K357 D406 G407 T408 Y409	H350-L352 HydrophobicContact CB-CD2 4.23Å; H350-L352 PolarHBondContact O-N 3.27Å; L352-V356 WeakPolarHBondContact CA-O 3.39Å; L352-K357 HydrophobicContact CD2-CB 3.96Å; L352-K357 HydrophobicContact CD2-CG 4.47Å; L352-D406 HydrophobicContact CD1-CB 4.15Å; L352-D406 HydrophobicContact CG-CB 4.29Å; L352-G407 PolarHBondContact N-O 2.96Å; L352-T408 CarbonylContact O-C 3.4Å; L352-T408 WeakPolarHBondContact O-CA 3.41Å; L352-Y409 PolarHBondContact O-N 3.5Å
353	V	88.8	Confident	89.3	Confident	15 Å²	15	55.1 Å²	55.1	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.7	171.9	175.6	0	0	0	0	107.4	L44 N355 V356 M358 V366 Y409	L44-V353 HydrophobicContact CD1-CG2 4.17Å; V353-N355 PolarHBondContact O-N 2.8Å; V353-V356 PolarHBondContact N-O 2.65Å; V353-V356 PolarHBondContact O-N 3.13Å; V353-M358 HydrophobicContact CB-CG 4.3Å; V353-M358 HydrophobicContact CG2-CE 4.23Å; V353-M358 HydrophobicContact CG2-CG 3.66Å; V353-M358 HydrophobicContact CG2-SD 3.67Å; V353-V366 HydrophobicContact CB-CG2 4.3Å; V353-V366 HydrophobicContact CG1-CG2 3.75Å; V353-V366 HydrophobicContact CG2-CB 4.33Å; V353-V366 HydrophobicContact CG2-CG2 3.72Å; V353-Y409 WeakPolarHBondContact CA-O 3.29Å
354	D	87.8	Confident	88.7	Confident	103 Å²	103	50.5 Å²	50.5	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.2	-175.4	-56.4	-48.2	0	0	0	112.5	V356 Y409 S410	D354-V356 PolarHBondContact O-N 2.8Å; D354-Y409 PolarHBondContact N-O 3.17Å; D354-Y409 VanDerWaalsContact N-O 3.08Å; D354-S410 WeakPolarHBondContact OD1-CB 3.49Å
355	N	86.8	Confident	88.2	Confident	120 Å²	120	51.5 Å²	51.5	64%	0.642	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	10.2	-175.9	-52.5	-53	0	0	0	115.6	V353 T408	V353-N355 PolarHBondContact O-N 2.8Å; N355-T408 PolarHBondContact N-OG1 3.38Å; N355-T408 VanDerWaalsContact OD1-CB 3.25Å; N355-T408 WeakPolarHBondContact OD1-CB 3.15Å; N355-T408 WeakPolarHBondContact OD1-CG2 3.31Å; N355-T408 PolarHBondContact OD1-OG1 3.16Å; N355-T408 VanDerWaalsContact OD1-OG1 3.05Å
356	V	86.4	Confident	87.8	Confident	62 Å²	62	52.8 Å²	52.8	38%	0.376	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131	178	-172.9	0	0	0	0	110.6	L352 V353 D354 M358 N364	L352-V356 WeakPolarHBondContact CA-O 3.39Å; V353-V356 PolarHBondContact N-O 2.65Å; V353-V356 PolarHBondContact O-N 3.13Å; D354-V356 PolarHBondContact O-N 2.8Å; V356-M358 PolarHBondContact O-N 3.08Å; V356-N364 WeakPolarHBondContact CG1-ND2 3.48Å
357	K	85	Confident	87.6	Confident	95 Å²	95	55 Å²	55	41%	0.413	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	126.5	171.6	-173.7	177	-179	178.6	0	109.6	H350 L352 R362 N364	H350-K357 VanDerWaalsContact CE1-CE 3.44Å; H350-K357 WeakPolarHBondContact CE1-CE 3.41Å; H350-K357 PolarHBondContact CE1-NZ 3.14Å; L352-K357 HydrophobicContact CD2-CB 3.96Å; L352-K357 HydrophobicContact CD2-CG 4.47Å; K357-R362 PolarHBondContact O-NH1 3.15Å; K357-N364 PolarHBondContact O-ND2 2.66Å; K357-N364 VanDerWaalsContact O-ND2 3.15Å
358	M	86.8	Confident	87.3	Confident	21 Å²	21	55 Å²	55	10%	0.103	30%	0.299	C	S	.	.			trans	-63.8	132.2	174.7	-75.1	-175.7	-78.6	0	0	110.6	H43 L44 V351 V353 V356 N364 Q365	H43-M358 HydrophobicContact CB-SD 4.34Å; L44-M358 HydrophobicContact CB-CE 3.99Å; L44-M358 HydrophobicContact CB-SD 4.35Å; V351-M358 HydrophobicContact CB-CE 3.75Å; V351-M358 HydrophobicContact CG1-CE 3.96Å; V351-M358 WeakPolarHBondContact O-CE 3.17Å; V353-M358 HydrophobicContact CB-CG 4.3Å; V353-M358 HydrophobicContact CG2-CE 4.23Å; V353-M358 HydrophobicContact CG2-CG 3.66Å; V353-M358 HydrophobicContact CG2-SD 3.67Å; V356-M358 PolarHBondContact O-N 3.08Å; M358-N364 WeakPolarHBondContact CA-OD1 3.43Å; M358-Q365 HydrophobicContact CB-CG 4.3Å
359	S	83.5	Confident	86.9	Confident	28 Å²	28	56.9 Å²	56.9	20%	0.196	31%	0.308	C	S	.	.			trans	-148.9	152.5	170.6	80.3	0	0	0	0	112.1	S361 R362 G363 N364	S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.36Å; S359-S361 PolarHBondContact OG-OG 3.17Å; S359-S361 VanDerWaalsContact OG-OG 3.14Å; S359-R362 PolarHBondContact O-N 2.92Å; S359-R362 WeakPolarHBondContact OG-CB 3.28Å; S359-R362 VanDerWaalsContact OG-CG 3.28Å; S359-R362 WeakPolarHBondContact OG-CG 3.49Å; S359-R362 PolarHBondContact OG-N 3.2Å; S359-G363 PolarHBondContact O-N 3.28Å; S359-N364 PolarHBondContact N-OD1 2.77Å; S359-N364 PolarHBondContact O-OD1 2.88Å
360	K	77.6	Confident	86.6	Confident	91 Å²	91	59.9 Å²	59.9	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-42.9	177.2	-60.6	-177.8	-175.2	-163.2	0	112.1	N39 A40 R362 G363	N39-K360 PolarHBondContact ND2-NZ 3.12Å; N39-K360 PolarHBondContact O-NZ 3.05Å; N39-K360 PolarHBondContact OD1-NZ 2.89Å; A40-K360 HydrophobicContact CB-CD 3.92Å; A40-K360 HydrophobicContact CB-CG 4.49Å; K360-R362 VanDerWaalsContact C-N 3.26Å; K360-R362 PolarHBondContact O-N 2.98Å; K360-G363 PolarHBondContact O-N 2.81Å; K360-G363 VanDerWaalsContact O-N 3.16Å
361	S	75.6	Confident	86.5	Confident	116 Å²	116	58.8 Å²	58.8	81%	0.811	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.3	-179.5	51.9	0	0	0	0	113.2	S359	S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.36Å; S359-S361 PolarHBondContact OG-OG 3.17Å; S359-S361 VanDerWaalsContact OG-OG 3.14Å
362	R	79.2	Confident	86.2	Confident	161 Å²	161	58.8 Å²	58.8	61%	0.608	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.7	176.6	-71.9	175.9	175.9	159.5	-1.1	113.3	K357 S359 K360 N364	K357-R362 PolarHBondContact O-NH1 3.15Å; S359-R362 PolarHBondContact O-N 2.92Å; S359-R362 WeakPolarHBondContact OG-CB 3.28Å; S359-R362 VanDerWaalsContact OG-CG 3.28Å; S359-R362 WeakPolarHBondContact OG-CG 3.49Å; S359-R362 PolarHBondContact OG-N 3.2Å; K360-R362 VanDerWaalsContact C-N 3.26Å; K360-R362 PolarHBondContact O-N 2.98Å; R362-N364 HydrophobicContact CB-CB 4.46Å; R362-N364 WeakPolarHBondContact CB-OD1 3.48Å; R362-N364 PolarHBondContact O-N 3.22Å; R362-N364 VanDerWaalsContact O-N 3.13Å
363	G	79.7	Confident	85.9	Confident	64 Å²	64	59.4 Å²	59.4	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	14.3	-176.2	0	0	0	0	0	114.3	S359 K360 Q365	S359-G363 PolarHBondContact O-N 3.28Å; K360-G363 PolarHBondContact O-N 2.81Å; K360-G363 VanDerWaalsContact O-N 3.16Å; G363-Q365 VanDerWaalsContact C-N 3.31Å
364	N	84.9	Confident	85.9	Confident	39 Å²	39	59.4 Å²	59.4	21%	0.209	33%	0.332	C	S	.	.			trans	-92.5	14.6	-179.4	72.3	-30.4	0	0	0	113	V356 K357 M358 S359 R362 V366	V356-N364 WeakPolarHBondContact CG1-ND2 3.48Å; K357-N364 PolarHBondContact O-ND2 2.66Å; K357-N364 VanDerWaalsContact O-ND2 3.15Å; M358-N364 WeakPolarHBondContact CA-OD1 3.43Å; S359-N364 PolarHBondContact N-OD1 2.77Å; S359-N364 PolarHBondContact O-OD1 2.88Å; R362-N364 HydrophobicContact CB-CB 4.46Å; R362-N364 WeakPolarHBondContact CB-OD1 3.48Å; R362-N364 PolarHBondContact O-N 3.22Å; R362-N364 VanDerWaalsContact O-N 3.13Å; N364-V366 PolarHBondContact O-N 2.75Å
365	Q	86.6	Confident	85.9	Confident	58 Å²	58	54.5 Å²	54.5	27%	0.271	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.4	125.7	175	-67.2	-176.5	-44.4	0	0	109.2	H43 M358 G363	H43-Q365 HydrophobicContact CB-CB 4.29Å; H43-Q365 PolarHBondContact CD2-NE2 2.89Å; H43-Q365 VanDerWaalsContact CD2-NE2 3.34Å; M358-Q365 HydrophobicContact CB-CG 4.3Å; G363-Q365 VanDerWaalsContact C-N 3.31Å
366	V	89	Confident	85.7	Confident	28 Å²	28	49.2 Å²	49.2	17%	0.17	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-92.4	118.8	177.3	175.1	0	0	0	0	109	H43 L44 V353 N364 P368 E371	H43-V366 CarbonylContact C-O 3.47Å; H43-V366 VanDerWaalsContact CA-O 3.25Å; H43-V366 WeakPolarHBondContact CA-O 3.29Å; L44-V366 HydrophobicContact CD1-CB 3.78Å; L44-V366 HydrophobicContact CD1-CG1 3.75Å; L44-V366 HydrophobicContact CD1-CG2 4.46Å; L44-V366 HydrophobicContact CD2-CG1 4.32Å; L44-V366 HydrophobicContact CG-CB 3.89Å; L44-V366 HydrophobicContact CG-CG1 3.85Å; L44-V366 PolarHBondContact N-O 3.4Å; L44-V366 VanDerWaalsContact N-O 3.14Å; V353-V366 HydrophobicContact CB-CG2 4.3Å; V353-V366 HydrophobicContact CG1-CG2 3.75Å; V353-V366 HydrophobicContact CG2-CB 4.33Å; V353-V366 HydrophobicContact CG2-CG2 3.72Å; N364-V366 PolarHBondContact O-N 2.75Å; V366-P368 WeakPolarHBondContact O-CD 3.42Å; V366-E371 HydrophobicContact CG1-CB 3.55Å; V366-E371 HydrophobicContact CG1-CG 3.79Å
367	D	91.9	Very high	85.1	Confident	47 Å²	47	49 Å²	49	25%	0.251	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-68.9	119.8	171.6	-177.8	-44.4	0	0	0	109	I369 V370 E371	D367-I369 VanDerWaalsContact C-N 3.32Å; D367-I369 PolarHBondContact O-N 2.92Å; D367-I369 WeakPolarHBondContact OD1-CB 3.46Å; D367-I369 PolarHBondContact OD1-N 3.08Å; D367-V370 HydrophobicContact CB-CB 4.01Å; D367-V370 HydrophobicContact CB-CG2 3.89Å; D367-V370 PolarHBondContact O-N 2.97Å; D367-V370 PolarHBondContact OD1-N 3.11Å; D367-E371 VanDerWaalsContact O-CB 3.25Å; D367-E371 WeakPolarHBondContact O-CB 3.45Å; D367-E371 PolarHBondContact O-N 3.08Å
368	P	91.6	Very high	84.1	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-32.2	-175.6	23.7	-33.9	0	0	0	113.6	L44 A47 L130 V366 Q372 L393	L44-P368 HydrophobicContact CD2-CB 4.13Å; A47-P368 HydrophobicContact CB-CB 3.93Å; A47-P368 HydrophobicContact CB-CG 4.38Å; L130-P368 HydrophobicContact CD1-CB 3.78Å; L130-P368 HydrophobicContact CD1-CG 3.43Å; L130-P368 VanDerWaalsContact CD1-CG 3.43Å; L130-P368 HydrophobicContact CG-CG 4.45Å; V366-P368 WeakPolarHBondContact O-CD 3.42Å; P368-Q372 VanDerWaalsContact O-CB 3.31Å; P368-Q372 WeakPolarHBondContact O-CB 3.42Å; P368-Q372 PolarHBondContact O-N 3.02Å; P368-L393 HydrophobicContact CB-CD2 3.83Å; P368-L393 VanDerWaalsContact O-CD2 3.28Å; P368-L393 WeakPolarHBondContact O-CD2 3.43Å
369	I	87.2	Confident	82.4	Confident	52 Å²	52	55 Å²	55	27%	0.267	31%	0.309	S	S	.	.	H	α-helix	trans	-74.1	-44.4	-178.8	-61.2	168.8	0	0	0	109.5	T129 A133 D367 E371 Q372 S373	T129-I369 HydrophobicContact CG2-CD1 3.59Å; A133-I369 HydrophobicContact CB-CG1 3.9Å; D367-I369 VanDerWaalsContact C-N 3.32Å; D367-I369 PolarHBondContact O-N 2.92Å; D367-I369 WeakPolarHBondContact OD1-CB 3.46Å; D367-I369 PolarHBondContact OD1-N 3.08Å; I369-E371 VanDerWaalsContact C-N 3.31Å; I369-Q372 PolarHBondContact O-N 2.98Å; I369-S373 PolarHBondContact O-N 3.2Å; I369-S373 PolarHBondContact O-OG 3.37Å
370	V	89.4	Confident	80.6	Confident	91 Å²	91	60.2 Å²	60.2	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-44.1	174	177.9	0	0	0	0	110	D367 Q372 S373 A374	D367-V370 HydrophobicContact CB-CB 4.01Å; D367-V370 HydrophobicContact CB-CG2 3.89Å; D367-V370 PolarHBondContact O-N 2.97Å; D367-V370 PolarHBondContact OD1-N 3.11Å; V370-Q372 PolarHBondContact O-N 3.46Å; V370-S373 WeakPolarHBondContact O-CB 3.43Å; V370-S373 PolarHBondContact O-N 3.34Å; V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.39Å
371	E	91	Very high	79.2	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-38.2	-179.5	-175.9	56.8	-161.1	0	0	112.4	V366 D367 I369 S373 A374 L375 Y409 R411	V366-E371 HydrophobicContact CG1-CB 3.55Å; V366-E371 HydrophobicContact CG1-CG 3.79Å; D367-E371 VanDerWaalsContact O-CB 3.25Å; D367-E371 WeakPolarHBondContact O-CB 3.45Å; D367-E371 PolarHBondContact O-N 3.08Å; I369-E371 VanDerWaalsContact C-N 3.31Å; E371-S373 VanDerWaalsContact C-N 3.29Å; E371-S373 PolarHBondContact O-N 3.21Å; E371-A374 CarbonylContact O-C 3.53Å; E371-A374 PolarHBondContact O-N 2.98Å; E371-L375 HydrophobicContact CG-CG 4.5Å; E371-L375 WeakPolarHBondContact O-CB 3.42Å; E371-L375 VanDerWaalsContact O-CG 3.32Å; E371-L375 WeakPolarHBondContact O-CG 3.23Å; E371-L375 PolarHBondContact O-N 3.31Å; E371-Y409 HydrophobicContact CG-CE1 3.93Å; E371-Y409 WeakPolarHBondContact CG-OH 3.04Å; E371-Y409 WeakPolarHBondContact OE1-CE1 3.22Å; E371-Y409 PolarHBondContact OE1-OH 3.1Å; E371-R411 WeakPolarHBondContact OE1-CB 3.25Å; E371-R411 WeakPolarHBondContact OE1-CG 3.23Å; E371-R411 IonicContact OE1-NE 2.72Å; E371-R411 PolarHBondContact OE1-NE 3.47Å; E371-R411 VanDerWaalsContact OE1-NE 3.15Å; E371-R411 IonicContact OE2-CZ 2.65Å; E371-R411 IonicContact OE2-NE 3.56Å; E371-R411 PolarHBondContact OE2-NE 3.22Å; E371-R411 IonicContact OE2-NH2 3.69Å; E371-R411 PolarHBondContact OE2-NH2 2.77Å
372	Q	88.4	Confident	78.3	Confident	7 Å²	7	61 Å²	61	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-41.1	174.3	-167.3	179.8	52	0	0	111.8	A133 P368 I369 V370 I385 S390 L393	A133-Q372 PolarHBondContact O-NE2 3.04Å; A133-Q372 PolarHBondContact O-OE1 3.06Å; P368-Q372 VanDerWaalsContact O-CB 3.31Å; P368-Q372 WeakPolarHBondContact O-CB 3.42Å; P368-Q372 PolarHBondContact O-N 3.02Å; I369-Q372 PolarHBondContact O-N 2.98Å; V370-Q372 PolarHBondContact O-N 3.46Å; Q372-I385 HydrophobicContact CB-CD1 4.27Å; Q372-I385 HydrophobicContact CG-CD1 3.9Å; Q372-S390 VanDerWaalsContact NE2-CA 3.26Å; Q372-S390 PolarHBondContact NE2-O 3.26Å; Q372-L393 HydrophobicContact CB-CD2 4.34Å; Q372-L393 HydrophobicContact CG-CB 4.39Å
373	S	86.5	Confident	77.5	Confident	42 Å²	42	60.5 Å²	60.5	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-44	173.9	-55.5	0	0	0	0	111.4	I369 V370 E371 L375 L376 S377	I369-S373 PolarHBondContact O-N 3.2Å; I369-S373 PolarHBondContact O-OG 3.37Å; V370-S373 WeakPolarHBondContact O-CB 3.43Å; V370-S373 PolarHBondContact O-N 3.34Å; E371-S373 VanDerWaalsContact C-N 3.29Å; E371-S373 PolarHBondContact O-N 3.21Å; S373-L375 VanDerWaalsContact C-N 3.33Å; S373-L375 PolarHBondContact O-N 3.33Å; S373-L376 CarbonylContact O-C 3.15Å; S373-L376 PolarHBondContact O-N 3.04Å; S373-L376 VanDerWaalsContact O-N 3.12Å; S373-S377 PolarHBondContact O-N 3.11Å
374	A	88.5	Confident	77	Confident	15 Å²	15	62.4 Å²	62.4	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-68.9	-28.9	-179.7	0	0	0	0	0	113.4	V370 E371 L376 S377 R415	V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.39Å; E371-A374 CarbonylContact O-C 3.53Å; E371-A374 PolarHBondContact O-N 2.98Å; A374-L376 PolarHBondContact O-N 3.17Å; A374-S377 PolarHBondContact O-OG 3.4Å; A374-S377 VanDerWaalsContact O-OG 3.06Å; A374-R415 PolarHBondContact O-NH2 3.35Å
375	L	87.9	Confident	76.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-36.7	171.4	-82.1	171.2	0	0	0	110.9	E371 S373 L393 Y409 R411 A414 R415 I584	E371-L375 HydrophobicContact CG-CG 4.5Å; E371-L375 WeakPolarHBondContact O-CB 3.42Å; E371-L375 VanDerWaalsContact O-CG 3.32Å; E371-L375 WeakPolarHBondContact O-CG 3.23Å; E371-L375 PolarHBondContact O-N 3.31Å; S373-L375 VanDerWaalsContact C-N 3.33Å; S373-L375 PolarHBondContact O-N 3.33Å; L375-L393 HydrophobicContact CD1-CB 4.24Å; L375-L393 HydrophobicContact CD1-CD1 4.01Å; L375-Y409 WeakPolarHBondContact CD2-OH 3.37Å; L375-R411 HydrophobicContact CD2-CG 3.91Å; L375-A414 HydrophobicContact CD2-CB 3.47Å; L375-A414 VanDerWaalsContact CD2-CB 3.47Å; L375-R415 HydrophobicContact CD2-CG 4.22Å; L375-R415 PolarHBondContact O-NE 2.84Å; L375-R415 VanDerWaalsContact O-NE 3.17Å; L375-I584 WeakPolarHBondContact O-CG2 3.28Å
376	L	83.4	Confident	76.4	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-97.1	-12.9	-174.3	-66.5	166	0	0	0	114.3	S373 A374 D378 I385 E389 L392 I584	S373-L376 CarbonylContact O-C 3.15Å; S373-L376 PolarHBondContact O-N 3.04Å; S373-L376 VanDerWaalsContact O-N 3.12Å; A374-L376 PolarHBondContact O-N 3.17Å; L376-D378 PolarHBondContact O-N 3.1Å; L376-I385 HydrophobicContact CD1-CB 4.4Å; L376-I385 HydrophobicContact CD1-CD1 4.49Å; L376-I385 HydrophobicContact CD1-CG1 3.91Å; L376-I385 HydrophobicContact CD1-CG2 4.04Å; L376-E389 HydrophobicContact CD1-CB 3.66Å; L376-E389 HydrophobicContact CD1-CG 4.3Å; L376-E389 HydrophobicContact CD2-CB 4.01Å; L376-E389 HydrophobicContact CD2-CG 3.88Å; L376-E389 HydrophobicContact CG-CB 4.47Å; L376-L392 HydrophobicContact CD2-CD1 3.56Å; L376-L392 HydrophobicContact CG-CD1 4.4Å; L376-I584 HydrophobicContact CD2-CD1 4.42Å
377	S	73.9	Confident	75.9	Confident	58 Å²	58	65.5 Å²	65.5	41%	0.406	37%	0.37	S	S	.	.			trans	-70.5	99.1	-178.6	66.3	0	0	0	0	110.4	S373 A374 R415	S373-S377 PolarHBondContact O-N 3.11Å; A374-S377 PolarHBondContact O-OG 3.4Å; A374-S377 VanDerWaalsContact O-OG 3.06Å; S377-R415 PolarHBondContact O-NH2 2.94Å; S377-R415 VanDerWaalsContact O-NH2 3.12Å
378	D	62.6	Low	75.4	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.214	36%	0.362	C	S	.	.			trans	-72.2	154.9	147	-70.1	-0.3	0	0	0	107.9	L376 L380 K585	L376-D378 PolarHBondContact O-N 3.1Å; D378-L380 PolarHBondContact O-N 3.16Å; D378-K585 HydrophobicContact CB-CD 4.44Å; D378-K585 VanDerWaalsContact OD1-CB 3.23Å; D378-K585 WeakPolarHBondContact OD1-CB 3.35Å; D378-K585 WeakPolarHBondContact OD1-CG 3.49Å; D378-K585 PolarHBondContact OD1-N 2.86Å; D378-K585 VanDerWaalsContact OD2-CD 3.24Å; D378-K585 WeakPolarHBondContact OD2-CD 3.44Å; D378-K585 WeakPolarHBondContact OD2-CE 3.05Å; D378-K585 WeakPolarHBondContact OD2-CG 3.27Å; D378-K585 IonicContact OD2-NZ 2.86Å
379	E	51.1	Low	75.2	Confident	201 Å²	201	64.2 Å²	64.2	94%	0.939	36%	0.364	S	S	*	.	S	Bend	trans	-55	-0.7	-178	-67.5	176.9	157.4	0	0	116
380	L	46.8	Very low	75.2	Confident	139 Å²	139	62.1 Å²	62.1	73%	0.728	35%	0.354	S	S	*	.	S	Bend	trans	-132.9	105	-179.5	-85.5	110.7	0	0	0	114.5	D378 S382	D378-L380 PolarHBondContact O-N 3.16Å; L380-S382 PolarHBondContact O-N 2.9Å
381	N	48.9	Very low	75.4	Confident	158 Å²	158	57.8 Å²	57.8	85%	0.845	33%	0.328	S	S	*	.	S	Bend	trans	62.5	35	132	-69.4	-13.2	0	0	0	122.4
382	S	55.3	Low	75.6	Confident	65 Å²	65	57.5 Å²	57.5	46%	0.455	33%	0.326	S	S	.	.			trans	-139.9	101.7	152.9	-175.2	0	0	0	0	111.7	L380 V384	L380-S382 PolarHBondContact O-N 2.9Å; S382-V384 PolarHBondContact O-N 3.21Å; S382-V384 PolarHBondContact OG-N 3.38Å
383	N	62.2	Low	75.9	Confident	151 Å²	151	57.1 Å²	57.1	81%	0.807	33%	0.325	S	S	*	.			trans	-76.6	4.1	168.7	-70.8	-12.2	0	0	0	112.5	I385	N383-I385 PolarHBondContact O-N 3.12Å
384	V	71	Confident	76.4	Confident	104 Å²	104	55.1 Å²	55.1	63%	0.63	31%	0.311	S	S	*	.			trans	-86.7	111	178.8	-174.3	0	0	0	0	108.9	S382	S382-V384 PolarHBondContact O-N 3.21Å; S382-V384 PolarHBondContact OG-N 3.38Å
385	I	76.2	Confident	76.8	Confident	45 Å²	45	54.4 Å²	54.4	23%	0.231	31%	0.305	C	S	.	.			trans	-79.6	122.8	171.3	-58.7	175.6	0	0	0	107.7	Q372 L376 N383 E389	Q372-I385 HydrophobicContact CB-CD1 4.27Å; Q372-I385 HydrophobicContact CG-CD1 3.9Å; L376-I385 HydrophobicContact CD1-CB 4.4Å; L376-I385 HydrophobicContact CD1-CD1 4.49Å; L376-I385 HydrophobicContact CD1-CG1 3.91Å; L376-I385 HydrophobicContact CD1-CG2 4.04Å; N383-I385 PolarHBondContact O-N 3.12Å; I385-E389 HydrophobicContact CG2-CB 3.92Å
386	T	81	Confident	77.3	Confident	61 Å²	61	54.4 Å²	54.4	37%	0.374	31%	0.305	S	S	.	.			trans	-75.4	156.5	171.4	63.2	0	0	0	0	110.9	A388 E389 S390	T386-A388 PolarHBondContact O-N 3.12Å; T386-A388 VanDerWaalsContact O-N 3.11Å; T386-E389 WeakPolarHBondContact CB-OE2 3.35Å; T386-E389 WeakPolarHBondContact CG2-OE2 3.38Å; T386-E389 PolarHBondContact N-OE2 3.03Å; T386-E389 WeakPolarHBondContact O-CB 3.07Å; T386-E389 PolarHBondContact O-N 3.24Å; T386-E389 WeakPolarHBondContact OG1-CG 3.43Å; T386-E389 PolarHBondContact OG1-N 3.21Å; T386-E389 PolarHBondContact OG1-OE2 3.03Å; T386-S390 PolarHBondContact O-N 3.42Å; T386-S390 VanDerWaalsContact O-N 3.14Å; T386-S390 PolarHBondContact O-OG 2.85Å; T386-S390 VanDerWaalsContact O-OG 3.14Å
387	P	79.3	Confident	77.9	Confident	83 Å²	83	54 Å²	54	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.4	176.1	-29.2	35.9	0	0	0	114	H135 E389 S390 N542	H135-P387 PolarHBondContact CE1-O 3.26Å; H135-P387 VanDerWaalsContact CE1-O 3.24Å; P387-E389 VanDerWaalsContact C-N 3.34Å; P387-E389 PolarHBondContact O-N 3.41Å; P387-S390 VanDerWaalsContact C-OG 3.24Å; P387-S390 VanDerWaalsContact CA-OG 3.29Å; P387-S390 WeakPolarHBondContact CA-OG 3.2Å; P387-S390 PolarHBondContact O-OG 3.47Å; P387-N542 WeakPolarHBondContact O-CB 3.45Å
388	A	81.3	Confident	79.1	Confident	10 Å²	10	51.3 Å²	51.3	8%	0.083	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.3	176.1	0	0	0	0	0	113	T386 L543	T386-A388 PolarHBondContact O-N 3.12Å; T386-A388 VanDerWaalsContact O-N 3.11Å; A388-L543 HydrophobicContact CB-CD2 3.8Å; A388-L543 HydrophobicContact CB-CG 4.37Å; A388-L543 WeakPolarHBondContact O-CG 3.34Å
389	E	87.7	Confident	80.7	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.051	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.1	-178.6	-70.9	168.3	138.6	0	0	113.3	L376 I385 T386 P387 D391 L392 L581 R582	L376-E389 HydrophobicContact CD1-CB 3.66Å; L376-E389 HydrophobicContact CD1-CG 4.3Å; L376-E389 HydrophobicContact CD2-CB 4.01Å; L376-E389 HydrophobicContact CD2-CG 3.88Å; L376-E389 HydrophobicContact CG-CB 4.47Å; I385-E389 HydrophobicContact CG2-CB 3.92Å; T386-E389 WeakPolarHBondContact CB-OE2 3.35Å; T386-E389 WeakPolarHBondContact CG2-OE2 3.38Å; T386-E389 PolarHBondContact N-OE2 3.03Å; T386-E389 WeakPolarHBondContact O-CB 3.07Å; T386-E389 PolarHBondContact O-N 3.24Å; T386-E389 WeakPolarHBondContact OG1-CG 3.43Å; T386-E389 PolarHBondContact OG1-N 3.21Å; T386-E389 PolarHBondContact OG1-OE2 3.03Å; P387-E389 VanDerWaalsContact C-N 3.34Å; P387-E389 PolarHBondContact O-N 3.41Å; E389-D391 PolarHBondContact O-N 2.85Å; E389-L392 HydrophobicContact CB-CD1 4.31Å; E389-L392 WeakPolarHBondContact O-CB 3.32Å; E389-L392 WeakPolarHBondContact O-CG 3.41Å; E389-L392 PolarHBondContact O-N 3.01Å; E389-L581 HydrophobicContact CG-CD1 4.07Å; E389-R582 IonicContact OE1-CZ 2.84Å; E389-R582 IonicContact OE1-NE 2.73Å; E389-R582 PolarHBondContact OE1-NE 2.88Å; E389-R582 IonicContact OE1-NH2 3.4Å; E389-R582 PolarHBondContact OE1-NH2 3.48Å; E389-R582 IonicContact OE2-NH2 3.17Å
390	S	87	Confident	82.9	Confident	8 Å²	8	41.5 Å²	41.5	6%	0.056	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.8	173.4	19.7	0	0	0	0	113.4	H135 Q372 T386 P387 L392	H135-S390 WeakPolarHBondContact CE1-CB 3.32Å; H135-S390 PolarHBondContact CE1-OG 3.36Å; H135-S390 PolarHBondContact NE2-OG 3.39Å; Q372-S390 VanDerWaalsContact NE2-CA 3.26Å; Q372-S390 PolarHBondContact NE2-O 3.26Å; T386-S390 PolarHBondContact O-N 3.42Å; T386-S390 VanDerWaalsContact O-N 3.14Å; T386-S390 PolarHBondContact O-OG 2.85Å; T386-S390 VanDerWaalsContact O-OG 3.14Å; P387-S390 VanDerWaalsContact C-OG 3.24Å; P387-S390 VanDerWaalsContact CA-OG 3.29Å; P387-S390 WeakPolarHBondContact CA-OG 3.2Å; P387-S390 PolarHBondContact O-OG 3.47Å; S390-L392 VanDerWaalsContact C-N 3.27Å; S390-L392 PolarHBondContact O-N 3.48Å
391	D	93.7	Very high	85.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-11.7	175.6	-72.4	-5.1	0	0	0	113.8	H135 E389 R394 Y395 I540 N542 L543	H135-D391 IonicContact CE1-OD1 2.68Å; H135-D391 IonicContact CG-OD1 3.97Å; H135-D391 IonicContact ND1-OD1 4Å; H135-D391 PolarHBondContact ND1-OD1 2.62Å; E389-D391 PolarHBondContact O-N 2.85Å; D391-R394 HydrophobicContact CB-CG 4.44Å; D391-R394 WeakPolarHBondContact O-CG 3.41Å; D391-Y395 WeakPolarHBondContact O-CB 3.28Å; D391-Y395 PolarHBondContact O-N 3.24Å; D391-I540 HydrophobicContact CB-CB 4.1Å; D391-I540 HydrophobicContact CB-CG2 4.09Å; D391-I540 WeakPolarHBondContact OD2-CA 3.19Å; D391-N542 PolarHBondContact OD1-ND2 3.47Å; D391-N542 VanDerWaalsContact OD2-CA 3.31Å; D391-N542 WeakPolarHBondContact OD2-CA 3.34Å; D391-N542 WeakPolarHBondContact OD2-CB 3.36Å; D391-N542 PolarHBondContact OD2-N 3.04Å; D391-L543 HydrophobicContact CB-CD1 4.11Å; D391-L543 HydrophobicContact CB-CG 4.38Å; D391-L543 PolarHBondContact OD2-N 3.38Å
392	L	95.1	Very high	87.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-71.1	-42.1	-169.2	-61	-178.9	0	0	0	113.4	L376 E389 S390 Y395 V396 I418 L422 L543 L581 I584	L376-L392 HydrophobicContact CD2-CD1 3.56Å; L376-L392 HydrophobicContact CG-CD1 4.4Å; E389-L392 HydrophobicContact CB-CD1 4.31Å; E389-L392 WeakPolarHBondContact O-CB 3.32Å; E389-L392 WeakPolarHBondContact O-CG 3.41Å; E389-L392 PolarHBondContact O-N 3.01Å; S390-L392 VanDerWaalsContact C-N 3.27Å; S390-L392 PolarHBondContact O-N 3.48Å; L392-Y395 WeakPolarHBondContact O-CB 3.36Å; L392-Y395 PolarHBondContact O-N 3.2Å; L392-V396 WeakPolarHBondContact O-CG2 3.24Å; L392-V396 PolarHBondContact O-N 3.4Å; L392-V396 VanDerWaalsContact O-N 3.14Å; L392-I418 HydrophobicContact CB-CD1 3.83Å; L392-I418 HydrophobicContact CB-CG1 4.43Å; L392-I418 HydrophobicContact CD1-CD1 4.36Å; L392-I418 HydrophobicContact CD1-CG2 4.34Å; L392-I418 HydrophobicContact CD2-CD1 4.49Å; L392-I418 HydrophobicContact CD2-CG1 4.35Å; L392-I418 HydrophobicContact CD2-CG2 3.81Å; L392-I418 HydrophobicContact CG-CD1 4.45Å; L392-L422 HydrophobicContact CD2-CD1 3.69Å; L392-L543 HydrophobicContact CD2-CD1 4.13Å; L392-L581 HydrophobicContact CD1-CD1 4.37Å; L392-L581 HydrophobicContact CD2-CD1 4.23Å; L392-L581 HydrophobicContact CD2-CD2 3.61Å; L392-I584 HydrophobicContact CD1-CD1 4.05Å
393	L	94.9	Very high	89.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.6	-45.5	179.3	-179.1	60.1	0	0	0	110.7	L44 P368 Q372 L375 Y395 V396 L397 Y409	L44-L393 HydrophobicContact CD2-CD1 3.92Å; L44-L393 HydrophobicContact CD2-CD2 4.06Å; L44-L393 HydrophobicContact CD2-CG 4.48Å; P368-L393 HydrophobicContact CB-CD2 3.83Å; P368-L393 VanDerWaalsContact O-CD2 3.28Å; P368-L393 WeakPolarHBondContact O-CD2 3.43Å; Q372-L393 HydrophobicContact CB-CD2 4.34Å; Q372-L393 HydrophobicContact CG-CB 4.39Å; L375-L393 HydrophobicContact CD1-CB 4.24Å; L375-L393 HydrophobicContact CD1-CD1 4.01Å; L393-Y395 VanDerWaalsContact C-N 3.29Å; L393-Y395 PolarHBondContact O-N 3.07Å; L393-V396 PolarHBondContact O-N 3.39Å; L393-L397 HydrophobicContact CD1-CD1 4.23Å; L393-L397 HydrophobicContact CD1-CG 4.21Å; L393-L397 HydrophobicContact CG-CD1 3.95Å; L393-L397 HydrophobicContact CG-CG 4.37Å; L393-L397 WeakPolarHBondContact O-CB 3.13Å; L393-L397 VanDerWaalsContact O-CG 3.28Å; L393-L397 WeakPolarHBondContact O-CG 3.19Å; L393-L397 PolarHBondContact O-N 2.72Å; L393-Y409 HydrophobicContact CD1-CE2 4.03Å
394	R	95.9	Very high	90.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-37.8	177	64	176.7	-58.4	139.2	-1.1	112.1	C51 D54 T134 H135 D391 L397 L398 P538 V539	C51-R394 HydrophobicContact CB-CB 4.13Å; C51-R394 WeakPolarHBondContact SG-CB 3.24Å; D54-R394 IonicContact OD2-CZ 3.94Å; D54-R394 IonicContact OD2-NH1 3.25Å; D54-R394 PolarHBondContact OD2-NH1 3.3Å; D54-R394 IonicContact OD2-NH2 2.73Å; D54-R394 PolarHBondContact OD2-NH2 3.26Å; T134-R394 WeakPolarHBondContact O-CD 3.31Å; T134-R394 PolarHBondContact O-NH1 2.83Å; H135-R394 VanDerWaalsContact C-NH1 3.31Å; H135-R394 PolarHBondContact O-NH1 2.81Å; D391-R394 HydrophobicContact CB-CG 4.44Å; D391-R394 WeakPolarHBondContact O-CG 3.41Å; R394-L397 PolarHBondContact O-N 3.28Å; R394-L398 WeakPolarHBondContact O-CB 3.36Å; R394-L398 VanDerWaalsContact O-CG 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.19Å; R394-L398 PolarHBondContact O-N 3.18Å; R394-P538 PolarHBondContact NH2-O 2.81Å; R394-V539 VanDerWaalsContact CD-O 3.27Å; R394-V539 WeakPolarHBondContact CD-O 3.23Å; R394-V539 WeakPolarHBondContact CG-O 3.34Å; R394-V539 PolarHBondContact NE-O 2.95Å
395	Y	97.8	Very high	91.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-53.8	174.4	178	-104.1	0	0	0	111.3	D391 L392 L393 L397 L398 R399 M417 E421 L422 I490 V539 I540	D391-Y395 WeakPolarHBondContact O-CB 3.28Å; D391-Y395 PolarHBondContact O-N 3.24Å; L392-Y395 WeakPolarHBondContact O-CB 3.36Å; L392-Y395 PolarHBondContact O-N 3.2Å; L393-Y395 VanDerWaalsContact C-N 3.29Å; L393-Y395 PolarHBondContact O-N 3.07Å; Y395-L397 VanDerWaalsContact C-N 3.33Å; Y395-L397 PolarHBondContact O-N 2.86Å; Y395-L398 PolarHBondContact O-N 2.91Å; Y395-R399 HydrophobicContact CD1-CG 4.38Å; Y395-R399 HydrophobicContact CE1-CG 4.01Å; Y395-R399 HydrophobicContact CE2-CG 4.19Å; Y395-R399 VanDerWaalsContact O-CG 3.28Å; Y395-R399 WeakPolarHBondContact O-CG 3.36Å; Y395-R399 PolarHBondContact O-N 3.06Å; Y395-M417 HydrophobicContact CD1-SD 4.46Å; Y395-M417 HydrophobicContact CE1-CG 4Å; Y395-M417 HydrophobicContact CE1-SD 4.11Å; Y395-E421 HydrophobicContact CE1-CB 4.44Å; Y395-E421 VanDerWaalsContact CE1-OE2 3.26Å; Y395-E421 WeakPolarHBondContact CE1-OE2 3.3Å; Y395-E421 VanDerWaalsContact CZ-OE2 3.23Å; Y395-E421 WeakPolarHBondContact OH-CB 3.39Å; Y395-E421 PolarHBondContact OH-OE2 3.14Å; Y395-L422 HydrophobicContact CD1-CD1 3.78Å; Y395-L422 HydrophobicContact CD1-CG 4.16Å; Y395-L422 HydrophobicContact CD2-CD1 4.38Å; Y395-L422 HydrophobicContact CD2-CD2 4.18Å; Y395-L422 HydrophobicContact CE1-CD1 4.11Å; Y395-L422 HydrophobicContact CE1-CD2 4.21Å; Y395-L422 HydrophobicContact CE1-CG 3.96Å; Y395-L422 HydrophobicContact CE2-CD2 3.85Å; Y395-L422 HydrophobicContact CE2-CG 4.47Å; Y395-L422 HydrophobicContact CG-CD1 3.92Å; Y395-L422 HydrophobicContact CG-CG 4.5Å; Y395-I490 HydrophobicContact CE2-CG2 4.25Å; Y395-V539 HydrophobicContact CD2-CG1 3.73Å; Y395-V539 HydrophobicContact CE2-CG1 4.43Å; Y395-I540 HydrophobicContact CD2-CG2 3.61Å; Y395-I540 HydrophobicContact CG-CG2 3.98Å
396	V	97.4	Very high	92.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-43.6	-179.1	175.8	0	0	0	0	110.9	L392 L393 L398 R399 L400 Y409 A414 M417 I418	L392-V396 WeakPolarHBondContact O-CG2 3.24Å; L392-V396 PolarHBondContact O-N 3.4Å; L392-V396 VanDerWaalsContact O-N 3.14Å; L393-V396 PolarHBondContact O-N 3.39Å; V396-L398 PolarHBondContact O-N 3.01Å; V396-R399 WeakPolarHBondContact O-CB 3.28Å; V396-R399 PolarHBondContact O-N 3.27Å; V396-L400 PolarHBondContact O-N 3.41Å; V396-Y409 HydrophobicContact CG1-CD2 3.9Å; V396-Y409 HydrophobicContact CG1-CE2 3.8Å; V396-A414 HydrophobicContact CB-CB 4.43Å; V396-A414 HydrophobicContact CG1-CB 3.87Å; V396-A414 HydrophobicContact CG2-CB 3.92Å; V396-M417 HydrophobicContact CB-SD 4.41Å; V396-M417 HydrophobicContact CG1-SD 4.32Å; V396-M417 HydrophobicContact CG2-SD 4.13Å; V396-I418 HydrophobicContact CG2-CD1 3.92Å; V396-I418 HydrophobicContact CG2-CG1 3.9Å
397	L	97.5	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-41.7	178.8	-70.1	175.3	0	0	0	112.3	A47 Y48 L393 R394 Y395 R399 L400	A47-L397 HydrophobicContact CB-CD1 3.7Å; Y48-L397 HydrophobicContact CD2-CB 4.18Å; Y48-L397 WeakPolarHBondContact CD2-O 3.31Å; Y48-L397 WeakPolarHBondContact CE2-O 3.47Å; L393-L397 HydrophobicContact CD1-CD1 4.23Å; L393-L397 HydrophobicContact CD1-CG 4.21Å; L393-L397 HydrophobicContact CG-CD1 3.95Å; L393-L397 HydrophobicContact CG-CG 4.37Å; L393-L397 WeakPolarHBondContact O-CB 3.13Å; L393-L397 VanDerWaalsContact O-CG 3.28Å; L393-L397 WeakPolarHBondContact O-CG 3.19Å; L393-L397 PolarHBondContact O-N 2.72Å; R394-L397 PolarHBondContact O-N 3.28Å; Y395-L397 VanDerWaalsContact C-N 3.33Å; Y395-L397 PolarHBondContact O-N 2.86Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.41Å; L397-L400 HydrophobicContact CD2-CD1 4.33Å; L397-L400 WeakPolarHBondContact O-CB 3.38Å; L397-L400 PolarHBondContact O-N 2.94Å
398	L	97.9	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74.6	-18.6	178.4	-68.7	172.6	0	0	0	113.5	C51 L52 A55 R394 Y395 V396 L400 I490 V539	C51-L398 HydrophobicContact CB-CD2 4.49Å; C51-L398 HydrophobicContact CB-CG 4.45Å; L52-L398 HydrophobicContact CB-CD2 4.11Å; L52-L398 HydrophobicContact CD1-CD2 3.92Å; A55-L398 HydrophobicContact CB-CD1 3.92Å; A55-L398 HydrophobicContact CB-CD2 4.39Å; R394-L398 WeakPolarHBondContact O-CB 3.36Å; R394-L398 VanDerWaalsContact O-CG 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.19Å; R394-L398 PolarHBondContact O-N 3.18Å; Y395-L398 PolarHBondContact O-N 2.91Å; V396-L398 PolarHBondContact O-N 3.01Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L398-I490 HydrophobicContact CB-CD1 4.12Å; L398-V539 HydrophobicContact CB-CG1 4.16Å; L398-V539 HydrophobicContact CD1-CB 4.29Å; L398-V539 HydrophobicContact CD1-CG1 3.87Å; L398-V539 HydrophobicContact CD1-CG2 4.5Å
399	R	97.7	Very high	94.7	Very high	31 Å²	31	16.2 Å²	16.2	12%	0.117	8%	0.08	C	C	.	.	H	α-helix	trans	-76.7	-15.7	169.8	-72.8	-71.5	-66.9	143.9	-9.6	113.2	Y395 V396 L397 M417 E421 H487 I490 E491	Y395-R399 HydrophobicContact CD1-CG 4.38Å; Y395-R399 HydrophobicContact CE1-CG 4.01Å; Y395-R399 HydrophobicContact CE2-CG 4.19Å; Y395-R399 VanDerWaalsContact O-CG 3.28Å; Y395-R399 WeakPolarHBondContact O-CG 3.36Å; Y395-R399 PolarHBondContact O-N 3.06Å; V396-R399 WeakPolarHBondContact O-CB 3.28Å; V396-R399 PolarHBondContact O-N 3.27Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.41Å; R399-M417 HydrophobicContact CB-CE 3.86Å; R399-M417 HydrophobicContact CB-SD 3.62Å; R399-M417 HydrophobicContact CG-CE 4.49Å; R399-M417 HydrophobicContact CG-SD 3.78Å; R399-E421 IonicContact CZ-OE1 2.77Å; R399-E421 IonicContact NE-OE1 3.34Å; R399-E421 IonicContact NE-OE2 2.71Å; R399-E421 IonicContact NH2-OE1 2.8Å; R399-E421 PolarHBondContact NH2-OE1 3.48Å; R399-H487 PolarHBondContact NH1-O 3.46Å; R399-H487 WeakPolarHBondContact O-CB 3.39Å; R399-I490 VanDerWaalsContact CD-CG2 3.45Å; R399-E491 IonicContact CZ-OE2 3.58Å; R399-E491 IonicContact NH1-OE2 3.94Å; R399-E491 PolarHBondContact NH1-OE2 3.39Å; R399-E491 IonicContact NH2-OE2 2.76Å; R399-E491 PolarHBondContact NH2-OE2 3.43Å
400	L	97.1	Very high	95.1	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.086	C	C	.	.	S	Bend	trans	-73.6	138.2	175.6	-58.8	179.2	0	0	0	110.9	V351 V396 L397 L398 L402 T408 M413	V351-L400 HydrophobicContact CG1-CD1 4.48Å; V396-L400 PolarHBondContact O-N 3.41Å; L397-L400 HydrophobicContact CD2-CD1 4.33Å; L397-L400 WeakPolarHBondContact O-CB 3.38Å; L397-L400 PolarHBondContact O-N 2.94Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L400-L402 HydrophobicContact CB-CD1 3.68Å; L400-L402 HydrophobicContact CB-CG 3.73Å; L400-L402 HydrophobicContact CD1-CD1 3.86Å; L400-L402 HydrophobicContact CG-CD1 4.42Å; L400-L402 PolarHBondContact O-N 3.21Å; L400-T408 WeakPolarHBondContact CD2-O 3.47Å; L400-M413 HydrophobicContact CD2-CE 3.79Å
401	P	95.3	Very high	95.4	Very high	20 Å²	20	21.9 Å²	21.9	13%	0.13	10%	0.103	C	C	.	.			trans	-78.5	41.1	-177.9	34.5	-39.1	0	0	0	113.4	L403 T404 Y405	P401-L403 PolarHBondContact O-N 3.47Å; P401-L403 VanDerWaalsContact O-N 3.14Å; P401-T404 WeakPolarHBondContact O-CA 3.4Å; P401-T404 VanDerWaalsContact O-CB 3.29Å; P401-T404 WeakPolarHBondContact O-CB 3.3Å; P401-T404 PolarHBondContact O-N 3.47Å; P401-Y405 HydrophobicContact CB-CE1 4.16Å; P401-Y405 HydrophobicContact CB-CE2 3.96Å; P401-Y405 HydrophobicContact CG-CD2 3.97Å; P401-Y405 HydrophobicContact CG-CE1 4.24Å; P401-Y405 HydrophobicContact CG-CE2 3.16Å; P401-Y405 VanDerWaalsContact CG-OH 3.32Å; P401-Y405 WeakPolarHBondContact CG-OH 3.45Å; P401-Y405 PolarHBondContact O-N 3.42Å; P401-Y405 VanDerWaalsContact O-N 3.12Å
402	L	95.8	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5	-169.2	-70.4	167.4	0	0	0	114.8	Y48 H348 H349 H350 V351 L400 T404 Y405	Y48-L402 HydrophobicContact CD1-CD1 4.01Å; Y48-L402 HydrophobicContact CD2-CD1 3.49Å; Y48-L402 VanDerWaalsContact CD2-CD1 3.49Å; Y48-L402 HydrophobicContact CE1-CB 3.83Å; Y48-L402 HydrophobicContact CE1-CD1 4.06Å; Y48-L402 HydrophobicContact CE2-CB 3.88Å; Y48-L402 HydrophobicContact CE2-CD1 3.55Å; Y48-L402 HydrophobicContact CE2-CG 4.29Å; Y48-L402 HydrophobicContact CG-CD1 3.72Å; Y48-L402 VanDerWaalsContact CZ-CB 3.43Å; Y48-L402 WeakPolarHBondContact OH-CB 3.5Å; H348-L402 CarbonylContact C-O 3.18Å; H348-L402 WeakPolarHBondContact CA-O 3.36Å; H349-L402 HydrophobicContact CB-CD2 4.33Å; H349-L402 VanDerWaalsContact CB-O 3.31Å; H349-L402 WeakPolarHBondContact CB-O 3.49Å; H349-L402 PolarHBondContact CD2-O 3.37Å; H349-L402 PolarHBondContact N-O 2.73Å; H350-L402 WeakPolarHBondContact O-CD2 3.28Å; V351-L402 HydrophobicContact CG2-CD1 3.55Å; L400-L402 HydrophobicContact CB-CD1 3.68Å; L400-L402 HydrophobicContact CB-CG 3.73Å; L400-L402 HydrophobicContact CD1-CD1 3.86Å; L400-L402 HydrophobicContact CG-CD1 4.42Å; L400-L402 PolarHBondContact O-N 3.21Å; L402-T404 VanDerWaalsContact C-N 3.28Å; L402-Y405 WeakPolarHBondContact CA-O 3.47Å
403	L	95.5	Very high	95.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.2	166.9	-64.6	-176	0	0	0	113	L52 W56 Q240 I346 H348 P401 A484 P486	L52-L403 HydrophobicContact CD1-CD1 4.46Å; L52-L403 HydrophobicContact CD2-CD1 4.35Å; L52-L403 HydrophobicContact CD2-CD2 4.06Å; L52-L403 HydrophobicContact CD2-CG 4.44Å; W56-L403 HydrophobicContact CH2-CD1 4.32Å; W56-L403 HydrophobicContact CZ2-CD1 4.49Å; Q240-L403 PolarHBondContact NE2-O 3.23Å; I346-L403 HydrophobicContact CG2-CD1 4.11Å; I346-L403 HydrophobicContact CG2-CD2 3.68Å; H348-L403 HydrophobicContact CB-CD2 3.64Å; P401-L403 PolarHBondContact O-N 3.47Å; P401-L403 VanDerWaalsContact O-N 3.14Å; L403-A484 VanDerWaalsContact CB-O 3.28Å; L403-A484 WeakPolarHBondContact CB-O 3.46Å; L403-A484 HydrophobicContact CD1-CB 4.04Å; L403-A484 WeakPolarHBondContact CD1-O 3.29Å; L403-P486 HydrophobicContact CD1-CG 4.22Å
404	T	92.4	Very high	95.4	Very high	23 Å²	23	32.6 Å²	32.6	14%	0.141	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-43.6	-173.7	-49.7	0	0	0	0	111.8	N239 H349 P401 L402 Q485	N239-T404 WeakPolarHBondContact ND2-CG2 3.28Å; H349-T404 PolarHBondContact NE2-O 2.94Å; P401-T404 WeakPolarHBondContact O-CA 3.4Å; P401-T404 VanDerWaalsContact O-CB 3.29Å; P401-T404 WeakPolarHBondContact O-CB 3.3Å; P401-T404 PolarHBondContact O-N 3.47Å; L402-T404 VanDerWaalsContact C-N 3.28Å; T404-Q485 PolarHBondContact OG1-NE2 3.18Å; T404-Q485 PolarHBondContact OG1-OE1 3.03Å
405	Y	93.4	Very high	95.4	Very high	132 Å²	132	35.3 Å²	35.3	52%	0.518	17%	0.165	S	C	.	.	S	Bend	trans	-161	169.4	178.5	46.5	-99.4	0	0	0	111.8	H349 P401 L402 G407	H349-Y405 VanDerWaalsContact CB-O 3.27Å; H349-Y405 WeakPolarHBondContact CB-O 3.43Å; H349-Y405 PolarHBondContact CD2-N 2.86Å; P401-Y405 HydrophobicContact CB-CE1 4.16Å; P401-Y405 HydrophobicContact CB-CE2 3.96Å; P401-Y405 HydrophobicContact CG-CD2 3.97Å; P401-Y405 HydrophobicContact CG-CE1 4.24Å; P401-Y405 HydrophobicContact CG-CE2 3.16Å; P401-Y405 VanDerWaalsContact CG-OH 3.32Å; P401-Y405 WeakPolarHBondContact CG-OH 3.45Å; P401-Y405 PolarHBondContact O-N 3.42Å; P401-Y405 VanDerWaalsContact O-N 3.12Å; L402-Y405 WeakPolarHBondContact CA-O 3.47Å; Y405-G407 PolarHBondContact O-N 3.12Å
406	D	93.9	Very high	95.4	Very high	58 Å²	58	42.5 Å²	42.5	31%	0.31	20%	0.196	S	C	.	.			trans	-62.2	129	174.9	-66.7	0.6	0	0	0	110.1	K320 H349 H350 L352	K320-D406 IonicContact NZ-OD1 3.8Å; K320-D406 PolarHBondContact NZ-OD1 3.47Å; K320-D406 IonicContact NZ-OD2 3.27Å; K320-D406 PolarHBondContact NZ-OD2 3.4Å; H349-D406 WeakPolarHBondContact CB-OD1 3.27Å; H349-D406 IonicContact CG-OD1 3.91Å; H349-D406 IonicContact ND1-OD1 2.66Å; H349-D406 PolarHBondContact ND1-OD1 3.46Å; H350-D406 PolarHBondContact N-OD1 2.84Å; H350-D406 WeakPolarHBondContact O-CA 3.04Å; L352-D406 HydrophobicContact CD1-CB 4.15Å; L352-D406 HydrophobicContact CG-CB 4.29Å
407	G	93.4	Very high	95.4	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.4	-170	0	0	0	0	0	111.4	H350 L352 Y405	H350-G407 PolarHBondContact O-N 3.39Å; H350-G407 VanDerWaalsContact O-N 3.13Å; L352-G407 PolarHBondContact N-O 2.96Å; Y405-G407 PolarHBondContact O-N 3.12Å
408	T	94.9	Very high	95.4	Very high	44 Å²	44	43.7 Å²	43.7	27%	0.27	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.6	179.6	-164.5	0	0	0	0	111.4	L352 N355 L400	L352-T408 CarbonylContact O-C 3.4Å; L352-T408 WeakPolarHBondContact O-CA 3.41Å; N355-T408 PolarHBondContact N-OG1 3.38Å; N355-T408 VanDerWaalsContact OD1-CB 3.25Å; N355-T408 WeakPolarHBondContact OD1-CB 3.15Å; N355-T408 WeakPolarHBondContact OD1-CG2 3.31Å; N355-T408 PolarHBondContact OD1-OG1 3.16Å; N355-T408 VanDerWaalsContact OD1-OG1 3.05Å; L400-T408 WeakPolarHBondContact CD2-O 3.47Å
409	Y	95.5	Very high	95.3	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.9	169.1	174.6	-86.2	0	0	0	108.3	L44 L352 V353 D354 E371 L375 L393 V396 A414	L44-Y409 HydrophobicContact CD1-CD1 3.43Å; L44-Y409 VanDerWaalsContact CD1-CD1 3.43Å; L44-Y409 HydrophobicContact CD1-CD2 4.38Å; L44-Y409 HydrophobicContact CD1-CE1 3.77Å; L44-Y409 HydrophobicContact CD1-CG 3.79Å; L352-Y409 PolarHBondContact O-N 3.5Å; V353-Y409 WeakPolarHBondContact CA-O 3.29Å; D354-Y409 PolarHBondContact N-O 3.17Å; D354-Y409 VanDerWaalsContact N-O 3.08Å; E371-Y409 HydrophobicContact CG-CE1 3.93Å; E371-Y409 WeakPolarHBondContact CG-OH 3.04Å; E371-Y409 WeakPolarHBondContact OE1-CE1 3.22Å; E371-Y409 PolarHBondContact OE1-OH 3.1Å; L375-Y409 WeakPolarHBondContact CD2-OH 3.37Å; L393-Y409 HydrophobicContact CD1-CE2 4.03Å; V396-Y409 HydrophobicContact CG1-CD2 3.9Å; V396-Y409 HydrophobicContact CG1-CE2 3.8Å; Y409-A414 HydrophobicContact CE2-CB 3.84Å
410	S	94.4	Very high	95.3	Very high	27 Å²	27	45.1 Å²	45.1	19%	0.189	21%	0.214	C	C	.	.			trans	-135.2	150.7	161.8	77.1	0	0	0	0	109.3	D354 E412 M413 A414	D354-S410 WeakPolarHBondContact OD1-CB 3.49Å; S410-E412 VanDerWaalsContact C-N 3.25Å; S410-E412 PolarHBondContact O-N 3.33Å; S410-M413 PolarHBondContact O-N 3.4Å; S410-M413 VanDerWaalsContact OG-CB 3.31Å; S410-M413 WeakPolarHBondContact OG-CB 3.47Å; S410-M413 PolarHBondContact OG-N 3.29Å; S410-A414 WeakPolarHBondContact O-CB 3.27Å; S410-A414 PolarHBondContact O-N 3.45Å
411	R	93.3	Very high	95.4	Very high	111 Å²	111	45.9 Å²	45.9	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-38.7	178.7	-169.6	179.3	-61	146.7	2.3	111.8	E371 L375 A414 R415	E371-R411 WeakPolarHBondContact OE1-CB 3.25Å; E371-R411 WeakPolarHBondContact OE1-CG 3.23Å; E371-R411 IonicContact OE1-NE 2.72Å; E371-R411 PolarHBondContact OE1-NE 3.47Å; E371-R411 VanDerWaalsContact OE1-NE 3.15Å; E371-R411 IonicContact OE2-CZ 2.65Å; E371-R411 IonicContact OE2-NE 3.56Å; E371-R411 PolarHBondContact OE2-NE 3.22Å; E371-R411 IonicContact OE2-NH2 3.69Å; E371-R411 PolarHBondContact OE2-NH2 2.77Å; L375-R411 HydrophobicContact CD2-CG 3.91Å; R411-A414 WeakPolarHBondContact O-CB 3.36Å; R411-A414 PolarHBondContact O-N 3.39Å; R411-R415 HydrophobicContact CG-CG 4.47Å; R411-R415 WeakPolarHBondContact O-CG 3.48Å; R411-R415 PolarHBondContact O-N 2.98Å
412	E	93.7	Very high	95.5	Very high	159 Å²	159	44.9 Å²	44.9	74%	0.743	21%	0.211	S	C	*	.	H	α-helix	trans	-62.3	-47.1	177.5	-172.5	-175.1	168.2	0	0	111.6	S410 A414 R415 K416	S410-E412 VanDerWaalsContact C-N 3.25Å; S410-E412 PolarHBondContact O-N 3.33Å; E412-A414 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 2.92Å; E412-R415 PolarHBondContact O-N 3.44Å; E412-K416 WeakPolarHBondContact O-CB 3.41Å; E412-K416 PolarHBondContact O-N 2.86Å
413	M	95.3	Very high	95.5	Very high	68 Å²	68	45.4 Å²	45.4	34%	0.335	21%	0.214	S	C	.	.	H	α-helix	trans	-57.9	-47.1	175.1	176.8	-166.5	171.8	0	0	110.8	L400 S410 K416 M417	L400-M413 HydrophobicContact CD2-CE 3.79Å; S410-M413 PolarHBondContact O-N 3.4Å; S410-M413 VanDerWaalsContact OG-CB 3.31Å; S410-M413 WeakPolarHBondContact OG-CB 3.47Å; S410-M413 PolarHBondContact OG-N 3.29Å; M413-K416 PolarHBondContact O-N 3.14Å; M413-M417 HydrophobicContact CE-CE 3.68Å; M413-M417 VanDerWaalsContact O-CB 3.3Å; M413-M417 WeakPolarHBondContact O-CB 3.31Å; M413-M417 PolarHBondContact O-N 2.75Å
414	A	96.1	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-49.9	179.5	0	0	0	0	0	111.9	L375 V396 Y409 S410 R411 E412 K416 M417 I418	L375-A414 HydrophobicContact CD2-CB 3.47Å; L375-A414 VanDerWaalsContact CD2-CB 3.47Å; V396-A414 HydrophobicContact CB-CB 4.43Å; V396-A414 HydrophobicContact CG1-CB 3.87Å; V396-A414 HydrophobicContact CG2-CB 3.92Å; Y409-A414 HydrophobicContact CE2-CB 3.84Å; S410-A414 WeakPolarHBondContact O-CB 3.27Å; S410-A414 PolarHBondContact O-N 3.45Å; R411-A414 WeakPolarHBondContact O-CB 3.36Å; R411-A414 PolarHBondContact O-N 3.39Å; E412-A414 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 2.92Å; A414-K416 PolarHBondContact O-N 2.94Å; A414-M417 PolarHBondContact O-N 3.3Å; A414-I418 WeakPolarHBondContact O-CD1 3.25Å; A414-I418 VanDerWaalsContact O-CG1 3.27Å; A414-I418 WeakPolarHBondContact O-CG1 3.43Å; A414-I418 PolarHBondContact O-N 3.44Å
415	R	95.6	Very high	95.8	Very high	56 Å²	56	50 Å²	50	21%	0.211	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-44.3	178.4	-70.7	-171	171.1	175.3	4.5	112	A374 L375 S377 R411 E412 N419 I584 K585	A374-R415 PolarHBondContact O-NH2 3.35Å; L375-R415 HydrophobicContact CD2-CG 4.22Å; L375-R415 PolarHBondContact O-NE 2.84Å; L375-R415 VanDerWaalsContact O-NE 3.17Å; S377-R415 PolarHBondContact O-NH2 2.94Å; S377-R415 VanDerWaalsContact O-NH2 3.12Å; R411-R415 HydrophobicContact CG-CG 4.47Å; R411-R415 WeakPolarHBondContact O-CG 3.48Å; R411-R415 PolarHBondContact O-N 2.98Å; E412-R415 PolarHBondContact O-N 3.44Å; R415-N419 WeakPolarHBondContact O-CB 3.34Å; R415-N419 PolarHBondContact O-N 3.01Å; R415-N419 PolarHBondContact O-ND2 3.33Å; R415-I584 HydrophobicContact CB-CG2 4.37Å; R415-I584 HydrophobicContact CG-CG2 3.77Å; R415-K585 PolarHBondContact NH1-O 3.26Å
416	K	96.9	Very high	96	Very high	152 Å²	152	43.9 Å²	43.9	66%	0.661	21%	0.208	S	C	*	.	H	α-helix	trans	-62.5	-44.9	177.8	-176.7	177.8	178.3	180	0	111.7	E412 M413 A414 T420	E412-K416 WeakPolarHBondContact O-CB 3.41Å; E412-K416 PolarHBondContact O-N 2.86Å; M413-K416 PolarHBondContact O-N 3.14Å; A414-K416 PolarHBondContact O-N 2.94Å; K416-T420 VanDerWaalsContact O-CB 3.31Å; K416-T420 WeakPolarHBondContact O-CB 3.47Å; K416-T420 PolarHBondContact O-N 3.14Å; K416-T420 PolarHBondContact O-OG1 3.05Å
417	M	97.7	Very high	96.2	Very high	24 Å²	24	41.5 Å²	41.5	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-52.1	177.8	-176.6	-175.1	-77.5	0	0	110.9	Y395 V396 R399 M413 A414 N419 T420 E421	Y395-M417 HydrophobicContact CD1-SD 4.46Å; Y395-M417 HydrophobicContact CE1-CG 4Å; Y395-M417 HydrophobicContact CE1-SD 4.11Å; V396-M417 HydrophobicContact CB-SD 4.41Å; V396-M417 HydrophobicContact CG1-SD 4.32Å; V396-M417 HydrophobicContact CG2-SD 4.13Å; R399-M417 HydrophobicContact CB-CE 3.86Å; R399-M417 HydrophobicContact CB-SD 3.62Å; R399-M417 HydrophobicContact CG-CE 4.49Å; R399-M417 HydrophobicContact CG-SD 3.78Å; M413-M417 HydrophobicContact CE-CE 3.68Å; M413-M417 VanDerWaalsContact O-CB 3.3Å; M413-M417 WeakPolarHBondContact O-CB 3.31Å; M413-M417 PolarHBondContact O-N 2.75Å; A414-M417 PolarHBondContact O-N 3.3Å; M417-N419 PolarHBondContact O-N 3.18Å; M417-T420 PolarHBondContact O-N 3Å; M417-E421 HydrophobicContact CG-CG 4.47Å; M417-E421 WeakPolarHBondContact CG-OE2 3.14Å; M417-E421 WeakPolarHBondContact O-CB 3.24Å; M417-E421 WeakPolarHBondContact O-CG 3.42Å; M417-E421 PolarHBondContact O-N 3Å
418	I	97.1	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-59.3	-48.9	179.6	-67.7	157.8	0	0	0	111.6	L392 V396 A414 T420 L422 V423 L581 I584	L392-I418 HydrophobicContact CB-CD1 3.83Å; L392-I418 HydrophobicContact CB-CG1 4.43Å; L392-I418 HydrophobicContact CD1-CD1 4.36Å; L392-I418 HydrophobicContact CD1-CG2 4.34Å; L392-I418 HydrophobicContact CD2-CD1 4.49Å; L392-I418 HydrophobicContact CD2-CG1 4.35Å; L392-I418 HydrophobicContact CD2-CG2 3.81Å; L392-I418 HydrophobicContact CG-CD1 4.45Å; V396-I418 HydrophobicContact CG2-CD1 3.92Å; V396-I418 HydrophobicContact CG2-CG1 3.9Å; A414-I418 WeakPolarHBondContact O-CD1 3.25Å; A414-I418 VanDerWaalsContact O-CG1 3.27Å; A414-I418 WeakPolarHBondContact O-CG1 3.43Å; A414-I418 PolarHBondContact O-N 3.44Å; I418-T420 VanDerWaalsContact C-N 3.29Å; I418-T420 PolarHBondContact O-N 3.25Å; I418-L422 HydrophobicContact CG2-CD1 4.36Å; I418-L422 WeakPolarHBondContact O-CB 3.31Å; I418-L422 PolarHBondContact O-N 3.13Å; I418-V423 PolarHBondContact O-N 3.48Å; I418-V423 VanDerWaalsContact O-N 3.08Å; I418-L581 HydrophobicContact CG2-CD2 3.84Å; I418-I584 HydrophobicContact CB-CD1 4.1Å; I418-I584 HydrophobicContact CD1-CD1 3.91Å; I418-I584 HydrophobicContact CG2-CD1 3.62Å; I418-I584 HydrophobicContact CG2-CG1 4.44Å
419	N	96.9	Very high	96.3	Very high	18 Å²	18	42.7 Å²	42.7	10%	0.096	20%	0.202	C	C	.	.	I	π-helix	trans	-62.5	-38.5	-179.5	-81.9	-28.2	0	0	0	112.2	R415 M417 V423 N424 R583 I584	R415-N419 WeakPolarHBondContact O-CB 3.34Å; R415-N419 PolarHBondContact O-N 3.01Å; R415-N419 PolarHBondContact O-ND2 3.33Å; M417-N419 PolarHBondContact O-N 3.18Å; N419-V423 WeakPolarHBondContact O-CB 3.22Å; N419-N424 WeakPolarHBondContact O-CB 3.44Å; N419-N424 PolarHBondContact O-N 3.31Å; N419-N424 PolarHBondContact O-ND2 3.43Å; N419-N424 VanDerWaalsContact O-ND2 3.12Å; N419-R583 WeakPolarHBondContact OD1-CG 3.21Å; N419-I584 PolarHBondContact ND2-O 2.85Å; N419-I584 PolarHBondContact OD1-N 3.4Å
420	T	97.9	Very high	96.4	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	20%	0.202	S	C	.	.	I	π-helix	trans	-74.3	-54.4	-178.8	-54.8	0	0	0	0	110.7	K416 M417 I418 N424 W425	K416-T420 VanDerWaalsContact O-CB 3.31Å; K416-T420 WeakPolarHBondContact O-CB 3.47Å; K416-T420 PolarHBondContact O-N 3.14Å; K416-T420 PolarHBondContact O-OG1 3.05Å; M417-T420 PolarHBondContact O-N 3Å; I418-T420 VanDerWaalsContact C-N 3.29Å; I418-T420 PolarHBondContact O-N 3.25Å; T420-N424 WeakPolarHBondContact O-CB 3.13Å; T420-W425 HydrophobicContact CG2-CD2 4.43Å; T420-W425 HydrophobicContact CG2-CH2 4.25Å; T420-W425 HydrophobicContact CG2-CZ2 3.64Å; T420-W425 VanDerWaalsContact O-CG 3.28Å; T420-W425 PolarHBondContact O-N 2.91Å; T420-W425 VanDerWaalsContact O-N 3.08Å
421	E	98.2	Very high	96.4	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	22%	0.217	C	C	.	.	I	π-helix	trans	-84.7	-46.7	-166.6	-58.1	176.5	163.3	0	0	111.5	Y395 R399 M417 W425 I426 L494	Y395-E421 HydrophobicContact CE1-CB 4.44Å; Y395-E421 VanDerWaalsContact CE1-OE2 3.26Å; Y395-E421 WeakPolarHBondContact CE1-OE2 3.3Å; Y395-E421 VanDerWaalsContact CZ-OE2 3.23Å; Y395-E421 WeakPolarHBondContact OH-CB 3.39Å; Y395-E421 PolarHBondContact OH-OE2 3.14Å; R399-E421 IonicContact CZ-OE1 2.77Å; R399-E421 IonicContact NE-OE1 3.34Å; R399-E421 IonicContact NE-OE2 2.71Å; R399-E421 IonicContact NH2-OE1 2.8Å; R399-E421 PolarHBondContact NH2-OE1 3.48Å; M417-E421 HydrophobicContact CG-CG 4.47Å; M417-E421 WeakPolarHBondContact CG-OE2 3.14Å; M417-E421 WeakPolarHBondContact O-CB 3.24Å; M417-E421 WeakPolarHBondContact O-CG 3.42Å; M417-E421 PolarHBondContact O-N 3Å; E421-W425 HydrophobicContact CB-CE3 4.15Å; E421-W425 HydrophobicContact CB-CZ3 4.39Å; E421-W425 HydrophobicContact CG-CE3 4Å; E421-W425 HydrophobicContact CG-CH2 4.35Å; E421-W425 HydrophobicContact CG-CZ3 3.75Å; E421-W425 WeakPolarHBondContact O-CB 3.24Å; E421-I426 PolarHBondContact O-N 2.71Å; E421-L494 HydrophobicContact CB-CD1 4.49Å; E421-L494 HydrophobicContact CB-CD2 4.16Å; E421-L494 HydrophobicContact CG-CD1 4.19Å
422	L	97.8	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-88.5	-44.8	-175.4	-58.5	-178.4	0	0	0	112.8	L392 Y395 I418 I426 G427 I540 L543 L581	L392-L422 HydrophobicContact CD2-CD1 3.69Å; Y395-L422 HydrophobicContact CD1-CD1 3.78Å; Y395-L422 HydrophobicContact CD1-CG 4.16Å; Y395-L422 HydrophobicContact CD2-CD1 4.38Å; Y395-L422 HydrophobicContact CD2-CD2 4.18Å; Y395-L422 HydrophobicContact CE1-CD1 4.11Å; Y395-L422 HydrophobicContact CE1-CD2 4.21Å; Y395-L422 HydrophobicContact CE1-CG 3.96Å; Y395-L422 HydrophobicContact CE2-CD2 3.85Å; Y395-L422 HydrophobicContact CE2-CG 4.47Å; Y395-L422 HydrophobicContact CG-CD1 3.92Å; Y395-L422 HydrophobicContact CG-CG 4.5Å; I418-L422 HydrophobicContact CG2-CD1 4.36Å; I418-L422 WeakPolarHBondContact O-CB 3.31Å; I418-L422 PolarHBondContact O-N 3.13Å; L422-I426 HydrophobicContact CD2-CD1 3.94Å; L422-G427 PolarHBondContact O-N 2.81Å; L422-I540 HydrophobicContact CD2-CD1 4Å; L422-L543 HydrophobicContact CD1-CD1 4.01Å; L422-L581 HydrophobicContact CB-CD2 3.89Å; L422-L581 HydrophobicContact CD1-CD2 4.4Å
423	V	96.3	Very high	96.3	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.067	18%	0.18	C	C	.	.	I	π-helix	trans	-77.7	-56.1	-178.7	-177.7	0	0	0	0	110.3	I418 N419 G427 N428 L581 R583	I418-V423 PolarHBondContact O-N 3.48Å; I418-V423 VanDerWaalsContact O-N 3.08Å; N419-V423 WeakPolarHBondContact O-CB 3.22Å; V423-G427 CarbonylContact O-C 3.54Å; V423-G427 VanDerWaalsContact O-CA 3.26Å; V423-G427 WeakPolarHBondContact O-CA 3.22Å; V423-G427 PolarHBondContact O-N 2.86Å; V423-N428 PolarHBondContact O-N 2.72Å; V423-L581 HydrophobicContact CG2-CB 4.14Å; V423-L581 HydrophobicContact CG2-CD2 3.7Å; V423-L581 HydrophobicContact CG2-CG 3.91Å; V423-R583 HydrophobicContact CG1-CB 4.35Å
424	N	96.3	Very high	96.2	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.273	17%	0.166	S	C	.	.	I	π-helix	trans	-77.7	-48	-171.3	-65.6	-26.1	0	0	0	113	N419 T420 N428	N419-N424 WeakPolarHBondContact O-CB 3.44Å; N419-N424 PolarHBondContact O-N 3.31Å; N419-N424 PolarHBondContact O-ND2 3.43Å; N419-N424 VanDerWaalsContact O-ND2 3.12Å; T420-N424 WeakPolarHBondContact O-CB 3.13Å; N424-N428 WeakPolarHBondContact CA-ND2 3.2Å; N424-N428 VanDerWaalsContact O-CB 3.23Å; N424-N428 WeakPolarHBondContact O-CB 3.39Å; N424-N428 PolarHBondContact O-ND2 3.23Å
425	W	97.9	Very high	96	Very high	69 Å²	69	36.2 Å²	36.2	26%	0.261	18%	0.181	S	C	.	.	I	π-helix	trans	-79.7	-45.6	-174.6	-60.8	-17.2	0	0	0	113.2	T420 E421 L429 L494 I497 R498 N501	T420-W425 HydrophobicContact CG2-CD2 4.43Å; T420-W425 HydrophobicContact CG2-CH2 4.25Å; T420-W425 HydrophobicContact CG2-CZ2 3.64Å; T420-W425 VanDerWaalsContact O-CG 3.28Å; T420-W425 PolarHBondContact O-N 2.91Å; T420-W425 VanDerWaalsContact O-N 3.08Å; E421-W425 HydrophobicContact CB-CE3 4.15Å; E421-W425 HydrophobicContact CB-CZ3 4.39Å; E421-W425 HydrophobicContact CG-CE3 4Å; E421-W425 HydrophobicContact CG-CH2 4.35Å; E421-W425 HydrophobicContact CG-CZ3 3.75Å; E421-W425 WeakPolarHBondContact O-CB 3.24Å; W425-L429 WeakPolarHBondContact O-CB 3.48Å; W425-L494 HydrophobicContact CE3-CD2 4.31Å; W425-L494 HydrophobicContact CZ3-CB 4.28Å; W425-L494 HydrophobicContact CZ3-CD1 4.42Å; W425-I497 HydrophobicContact CB-CG2 3.74Å; W425-R498 HydrophobicContact CD2-CG 4.39Å; W425-R498 HydrophobicContact CE3-CG 4.3Å; W425-R498 HydrophobicContact CZ3-CG 4.37Å; W425-N501 PolarHBondContact O-ND2 3.49Å; W425-N501 VanDerWaalsContact O-ND2 3.11Å
426	I	98.1	Very high	95.8	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.203	C	C	.	.	I	π-helix	trans	-85.9	-55.4	179.6	-59.8	173.5	0	0	0	111.1	E421 L422 N428 L429 L430 I497 L529 L536 L547 F580	E421-I426 PolarHBondContact O-N 2.71Å; L422-I426 HydrophobicContact CD2-CD1 3.94Å; I426-N428 PolarHBondContact O-N 3.23Å; I426-L429 PolarHBondContact O-N 3.47Å; I426-L430 PolarHBondContact O-N 3.06Å; I426-I497 HydrophobicContact CD1-CD1 3.65Å; I426-I497 HydrophobicContact CG1-CD1 3.52Å; I426-I497 HydrophobicContact CG1-CG1 4.29Å; I426-I497 HydrophobicContact CG1-CG2 4.14Å; I426-L529 HydrophobicContact CG2-CD2 4.49Å; I426-L536 HydrophobicContact CD1-CD1 3.86Å; I426-L547 HydrophobicContact CG2-CD2 3.89Å; I426-F580 HydrophobicContact CB-CE1 4.28Å; I426-F580 HydrophobicContact CG2-CD1 4.36Å; I426-F580 HydrophobicContact CG2-CE1 3.72Å; I426-F580 HydrophobicContact CG2-CZ 3.97Å
427	G	96.2	Very high	95.6	Very high	8 Å²	8	38.3 Å²	38.3	8%	0.082	21%	0.207	C	C	.	.	I	π-helix	trans	-60.4	-45.4	-173.3	0	0	0	0	0	113.8	L422 V423 S431	L422-G427 PolarHBondContact O-N 2.81Å; V423-G427 CarbonylContact O-C 3.54Å; V423-G427 VanDerWaalsContact O-CA 3.26Å; V423-G427 WeakPolarHBondContact O-CA 3.22Å; V423-G427 PolarHBondContact O-N 2.86Å; G427-S431 WeakPolarHBondContact O-CB 3.49Å; G427-S431 PolarHBondContact O-N 2.95Å
428	N	94.9	Very high	95.4	Very high	73 Å²	73	37.7 Å²	37.7	39%	0.39	21%	0.205	S	C	.	.	H	α-helix	trans	-70	-36.3	177.7	-61.9	-25.2	0	0	0	112.1	V423 N424 I426 S431 R432	V423-N428 PolarHBondContact O-N 2.72Å; N424-N428 WeakPolarHBondContact CA-ND2 3.2Å; N424-N428 VanDerWaalsContact O-CB 3.23Å; N424-N428 WeakPolarHBondContact O-CB 3.39Å; N424-N428 PolarHBondContact O-ND2 3.23Å; I426-N428 PolarHBondContact O-N 3.23Å; N428-S431 PolarHBondContact O-N 3.1Å; N428-R432 WeakPolarHBondContact O-CG 3.18Å; N428-R432 PolarHBondContact O-N 3.29Å
429	L	96.5	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-46.3	177.4	-178.9	60.8	0	0	0	110.8	W425 I426 S431 R432 I433 T500 I504 V525 L529	W425-L429 WeakPolarHBondContact O-CB 3.48Å; I426-L429 PolarHBondContact O-N 3.47Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.22Å; L429-R432 PolarHBondContact O-N 3.44Å; L429-I433 PolarHBondContact O-N 3.02Å; L429-T500 HydrophobicContact CD1-CG2 4.49Å; L429-T500 HydrophobicContact CD2-CG2 3.66Å; L429-I504 HydrophobicContact CD1-CD1 4.19Å; L429-I504 HydrophobicContact CD1-CG2 3.85Å; L429-V525 HydrophobicContact CD1-CG1 3.71Å; L429-V525 HydrophobicContact CD2-CG1 4.26Å; L429-V525 HydrophobicContact CG-CG1 3.95Å; L429-L529 HydrophobicContact CD2-CD1 4.43Å; L429-L529 HydrophobicContact CD2-CD2 3.86Å; L429-L529 HydrophobicContact CD2-CG 4.14Å; L429-L529 HydrophobicContact CG-CD1 4.23Å; L429-L529 HydrophobicContact CG-CD2 4.38Å; L429-L529 HydrophobicContact CG-CG 4.49Å
430	L	96.6	Very high	95	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-57.5	-47.6	172.6	179.6	64.5	0	0	0	111.2	I426 R432 I433 I434 L529 L547 R550 L551 F580	I426-L430 PolarHBondContact O-N 3.06Å; L430-R432 PolarHBondContact O-N 3.32Å; L430-I433 HydrophobicContact CD1-CD1 4.47Å; L430-I433 VanDerWaalsContact O-CG1 3.32Å; L430-I433 WeakPolarHBondContact O-CG1 3.23Å; L430-I433 PolarHBondContact O-N 3.32Å; L430-I434 HydrophobicContact CD1-CG2 3.92Å; L430-I434 HydrophobicContact CG-CD1 4.02Å; L430-I434 HydrophobicContact CG-CG2 4.47Å; L430-I434 WeakPolarHBondContact O-CD1 3.01Å; L430-I434 WeakPolarHBondContact O-CG1 3.5Å; L430-I434 WeakPolarHBondContact O-CG2 3.36Å; L430-I434 PolarHBondContact O-N 3.41Å; L430-L529 HydrophobicContact CB-CD1 4.42Å; L430-L529 HydrophobicContact CD1-CD1 4.37Å; L430-L547 HydrophobicContact CB-CD1 4.24Å; L430-L547 HydrophobicContact CD1-CD1 3.78Å; L430-L547 HydrophobicContact CD2-CD1 3.73Å; L430-L547 HydrophobicContact CG-CD1 4.1Å; L430-R550 HydrophobicContact CD1-CB 4.06Å; L430-R550 HydrophobicContact CD2-CB 3.95Å; L430-R550 HydrophobicContact CD2-CG 4.08Å; L430-R550 HydrophobicContact CG-CB 4.5Å; L430-L551 HydrophobicContact CD1-CD2 3.97Å; L430-F580 HydrophobicContact CD2-CB 4.27Å; L430-F580 HydrophobicContact CD2-CD2 3.8Å; L430-F580 HydrophobicContact CD2-CG 4.25Å
431	S	94.3	Very high	94.7	Very high	71 Å²	71	45.4 Å²	45.4	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-30.9	179.3	-170.4	0	0	0	0	113.5	G427 N428 L429 S435	G427-S431 WeakPolarHBondContact O-CB 3.49Å; G427-S431 PolarHBondContact O-N 2.95Å; N428-S431 PolarHBondContact O-N 3.1Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.22Å; S431-S435 PolarHBondContact O-N 2.8Å
432	R	93.1	Very high	94.5	Very high	104 Å²	104	46.6 Å²	46.6	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-69.8	-50.2	178.1	-73.9	173.9	-179.2	-169.3	0.1	111.3	N428 L429 L430 I434 S435 L438 I504	N428-R432 WeakPolarHBondContact O-CG 3.18Å; N428-R432 PolarHBondContact O-N 3.29Å; L429-R432 PolarHBondContact O-N 3.44Å; L430-R432 PolarHBondContact O-N 3.32Å; R432-I434 VanDerWaalsContact C-N 3.33Å; R432-I434 PolarHBondContact O-N 3.33Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.78Å; R432-L438 WeakPolarHBondContact O-CD2 3.29Å; R432-I504 HydrophobicContact CB-CD1 4.23Å
433	I	93.5	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-74	-22.6	-174.1	61.1	159.3	0	0	0	114.2	L429 L430 N439 I504 L522 V525 L529 L551	L429-I433 PolarHBondContact O-N 3.02Å; L430-I433 HydrophobicContact CD1-CD1 4.47Å; L430-I433 VanDerWaalsContact O-CG1 3.32Å; L430-I433 WeakPolarHBondContact O-CG1 3.23Å; L430-I433 PolarHBondContact O-N 3.32Å; I433-N439 WeakPolarHBondContact O-CB 3.08Å; I433-I504 HydrophobicContact CG2-CD1 3.87Å; I433-L522 HydrophobicContact CB-CD2 4.02Å; I433-L522 HydrophobicContact CG2-CD2 3.87Å; I433-V525 HydrophobicContact CD1-CG1 4.31Å; I433-V525 HydrophobicContact CG2-CB 3.91Å; I433-V525 HydrophobicContact CG2-CG1 3.44Å; I433-V525 VanDerWaalsContact CG2-CG1 3.44Å; I433-L529 HydrophobicContact CD1-CD1 3.72Å; I433-L529 HydrophobicContact CG1-CD1 4.43Å; I433-L551 HydrophobicContact CD1-CD2 3.81Å
434	I	92.1	Very high	94.2	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.051	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.8	176.5	71.6	-165.8	0	0	0	112.5	L430 R432 E436 Q442 L573	L430-I434 HydrophobicContact CD1-CG2 3.92Å; L430-I434 HydrophobicContact CG-CD1 4.02Å; L430-I434 HydrophobicContact CG-CG2 4.47Å; L430-I434 WeakPolarHBondContact O-CD1 3.01Å; L430-I434 WeakPolarHBondContact O-CG1 3.5Å; L430-I434 WeakPolarHBondContact O-CG2 3.36Å; L430-I434 PolarHBondContact O-N 3.41Å; R432-I434 VanDerWaalsContact C-N 3.33Å; R432-I434 PolarHBondContact O-N 3.33Å; I434-E436 PolarHBondContact O-N 3.07Å; I434-Q442 PolarHBondContact O-NE2 3.23Å; I434-Q442 PolarHBondContact O-OE1 2.97Å; I434-L573 HydrophobicContact CG2-CD1 4.1Å
435	S	92.4	Very high	94	Very high	44 Å²	44	46.2 Å²	46.2	31%	0.308	25%	0.248	S	C	.	.			trans	-63.6	126	179	-175.5	0	0	0	0	110.2	S431 R432 S437 L438 N439	S431-S435 PolarHBondContact O-N 2.8Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.78Å; S435-S437 PolarHBondContact O-N 3.27Å; S435-S437 VanDerWaalsContact O-N 3.15Å; S435-S437 PolarHBondContact OG-OG 3.23Å; S435-L438 PolarHBondContact O-N 3.02Å; S435-N439 PolarHBondContact O-N 3.25Å
436	E	91.5	Very high	93.7	Very high	142 Å²	142	44.2 Å²	44.2	66%	0.664	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.2	176.5	-67.9	174.1	-167	0	0	112.4	I434 L438 N439 P440	I434-E436 PolarHBondContact O-N 3.07Å; E436-L438 VanDerWaalsContact C-N 3.28Å; E436-L438 PolarHBondContact O-N 3.43Å; E436-N439 CarbonylContact O-C 3.57Å; E436-P440 VanDerWaalsContact O-CA 3.27Å; E436-P440 WeakPolarHBondContact O-CA 3.48Å
437	S	91.7	Very high	93.4	Very high	109 Å²	109	44.5 Å²	44.5	76%	0.762	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.4	176.3	69.7	0	0	0	0	113.2	S435	S435-S437 PolarHBondContact O-N 3.27Å; S435-S437 VanDerWaalsContact O-N 3.15Å; S435-S437 PolarHBondContact OG-OG 3.23Å
438	L	93.2	Very high	93.3	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-38.8	-177.6	-176.8	62.2	0	0	0	111.3	R432 S435 E436 P509 W510 L522	R432-L438 WeakPolarHBondContact O-CD2 3.29Å; S435-L438 PolarHBondContact O-N 3.02Å; E436-L438 VanDerWaalsContact C-N 3.28Å; E436-L438 PolarHBondContact O-N 3.43Å; L438-P509 VanDerWaalsContact CD1-C 3.43Å; L438-P509 HydrophobicContact CD1-CB 3.94Å; L438-P509 HydrophobicContact CD1-CG 4.13Å; L438-P509 WeakPolarHBondContact CD1-O 3.37Å; L438-P509 HydrophobicContact CD2-CG 4.1Å; L438-W510 HydrophobicContact CD1-CB 4.17Å; L438-L522 HydrophobicContact CD2-CD2 3.73Å; L438-L522 HydrophobicContact CG-CD2 4.04Å
439	N	94.3	Very high	93.2	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.048	24%	0.241	C	C	.	.			trans	-128.9	75.8	-177.7	-169.8	6.2	0	0	0	110.5	I433 S435 E436 E441 Q442 S443 L522	I433-N439 WeakPolarHBondContact O-CB 3.08Å; S435-N439 PolarHBondContact O-N 3.25Å; E436-N439 CarbonylContact O-C 3.57Å; N439-E441 VanDerWaalsContact C-N 3.26Å; N439-E441 PolarHBondContact O-N 3.28Å; N439-Q442 PolarHBondContact O-N 3.45Å; N439-Q442 VanDerWaalsContact O-N 3.14Å; N439-Q442 PolarHBondContact O-NE2 3.31Å; N439-S443 PolarHBondContact ND2-O 3.14Å; N439-S443 PolarHBondContact OD1-O 3.35Å; N439-L522 HydrophobicContact CB-CD1 3.88Å
440	P	92	Very high	93.2	Very high	77 Å²	77	50.6 Å²	50.6	50%	0.5	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.2	-176.8	24.5	-34.2	0	0	0	112.9	E436 Q442	E436-P440 VanDerWaalsContact O-CA 3.27Å; E436-P440 WeakPolarHBondContact O-CA 3.48Å; P440-Q442 PolarHBondContact O-N 2.96Å
441	E	91.6	Very high	93.1	Very high	139 Å²	139	53.8 Å²	53.8	65%	0.65	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.2	179.2	-56.8	-55.6	144.8	0	0	113.2	N439 S443	N439-E441 VanDerWaalsContact C-N 3.26Å; N439-E441 PolarHBondContact O-N 3.28Å; E441-S443 WeakPolarHBondContact CB-OG 3.06Å; E441-S443 WeakPolarHBondContact O-CB 3.46Å; E441-S443 PolarHBondContact O-N 3.02Å; E441-S443 PolarHBondContact O-OG 3.19Å
442	Q	94.1	Very high	93.2	Very high	44 Å²	44	50.4 Å²	50.4	21%	0.206	26%	0.258	C	S	.	.			trans	44.8	42.7	-178.3	-67.8	-67.8	-63.7	0	0	112.5	I434 N439 P440 L573	I434-Q442 PolarHBondContact O-NE2 3.23Å; I434-Q442 PolarHBondContact O-OE1 2.97Å; N439-Q442 PolarHBondContact O-N 3.45Å; N439-Q442 VanDerWaalsContact O-N 3.14Å; N439-Q442 PolarHBondContact O-NE2 3.31Å; P440-Q442 PolarHBondContact O-N 2.96Å; Q442-L573 VanDerWaalsContact O-CB 3.29Å; Q442-L573 WeakPolarHBondContact O-CB 3.31Å; Q442-L573 WeakPolarHBondContact O-CG 3.35Å; Q442-L573 PolarHBondContact O-N 2.96Å
443	S	93.4	Very high	93.3	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.4	-175.9	60.6	0	0	0	0	111.6	N439 E441 R571	N439-S443 PolarHBondContact ND2-O 3.14Å; N439-S443 PolarHBondContact OD1-O 3.35Å; E441-S443 WeakPolarHBondContact CB-OG 3.06Å; E441-S443 WeakPolarHBondContact O-CB 3.46Å; E441-S443 PolarHBondContact O-N 3.02Å; E441-S443 PolarHBondContact O-OG 3.19Å; S443-R571 CarbonylContact C-O 3.56Å; S443-R571 VanDerWaalsContact CA-O 3.23Å; S443-R571 WeakPolarHBondContact CA-O 3.45Å; S443-R571 WeakPolarHBondContact CB-O 3.12Å
444	I	93.6	Very high	93.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.2	-176.4	-61.6	-65.4	0	0	0	108.4	Q446 L522 R571 L573	I444-Q446 PolarHBondContact O-NE2 3.06Å; I444-L522 HydrophobicContact CD1-CB 3.9Å; I444-R571 PolarHBondContact N-O 3.49Å; I444-R571 PolarHBondContact O-N 3.26Å; I444-L573 HydrophobicContact CG1-CD1 4.49Å; I444-L573 HydrophobicContact CG1-CD2 3.65Å; I444-L573 HydrophobicContact CG1-CG 4.17Å
445	I	93.1	Very high	93.6	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.4	174.3	64.5	168.9	0	0	0	109.5	I447 L516 Q519 F520 S523 V570	I445-I447 HydrophobicContact CD1-CG2 3.93Å; I445-I447 HydrophobicContact CG1-CG2 4.02Å; I445-L516 HydrophobicContact CD1-CD1 4.42Å; I445-Q519 HydrophobicContact CD1-CB 3.67Å; I445-Q519 HydrophobicContact CG1-CB 4.02Å; I445-Q519 HydrophobicContact CG2-CB 4.48Å; I445-F520 HydrophobicContact CD1-CD2 3.57Å; I445-F520 HydrophobicContact CD1-CE2 3.62Å; I445-S523 WeakPolarHBondContact CG1-OG 3.44Å; I445-S523 WeakPolarHBondContact O-CB 2.94Å; I445-S523 PolarHBondContact O-OG 3.26Å; I445-V570 HydrophobicContact CG2-CG2 4.14Å
446	Q	90.8	Very high	93.8	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.126	26%	0.264	C	S	.	.			trans	-84.4	123.5	174.7	-60.5	-52.1	-75.5	0	0	108.8	I444 I566 G569 R571	I444-Q446 PolarHBondContact O-NE2 3.06Å; Q446-I566 HydrophobicContact CG-CD1 4.42Å; Q446-I566 HydrophobicContact CG-CG2 4.37Å; Q446-G569 WeakPolarHBondContact CB-O 3.34Å; Q446-G569 WeakPolarHBondContact CG-O 3.19Å; Q446-G569 PolarHBondContact N-O 3.28Å; Q446-R571 VanDerWaalsContact CD-NH1 3.31Å
447	I	92.7	Very high	93.9	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.046	26%	0.259	C	S	.	.			trans	-120.3	147.5	179.4	60.4	179	0	0	0	109.7	F71 I445 V452 F520 V524	F71-I447 HydrophobicContact CD1-CG1 4.09Å; F71-I447 HydrophobicContact CE1-CD1 4.34Å; F71-I447 HydrophobicContact CE1-CG1 4.37Å; I445-I447 HydrophobicContact CD1-CG2 3.93Å; I445-I447 HydrophobicContact CG1-CG2 4.02Å; I447-V452 HydrophobicContact CD1-CG2 3.49Å; I447-V452 VanDerWaalsContact CD1-CG2 3.49Å; I447-V452 HydrophobicContact CG1-CG2 4Å; I447-F520 HydrophobicContact CD1-CD1 4.33Å; I447-F520 HydrophobicContact CG2-CD1 4.38Å; I447-F520 HydrophobicContact CG2-CD2 4.19Å; I447-F520 HydrophobicContact CG2-CE1 4.13Å; I447-F520 HydrophobicContact CG2-CE2 3.87Å; I447-F520 HydrophobicContact CG2-CG 4.42Å; I447-F520 HydrophobicContact CG2-CZ 3.85Å; I447-V524 HydrophobicContact CD1-CG2 4.01Å
448	N	93.5	Very high	93.9	Very high	48 Å²	48	51.4 Å²	51.4	26%	0.257	25%	0.254	S	S	.	.			trans	-96	167	172.1	69	52	0	0	0	111.4	Q450 Q451 V452	N448-Q450 VanDerWaalsContact C-N 3.32Å; N448-Q450 PolarHBondContact O-N 3.49Å; N448-Q450 WeakPolarHBondContact OD1-CB 3.22Å; N448-Q450 PolarHBondContact OD1-N 2.87Å; N448-Q450 VanDerWaalsContact OD1-N 3.09Å; N448-Q451 PolarHBondContact ND2-OE1 2.89Å; N448-Q451 VanDerWaalsContact ND2-OE1 3.17Å; N448-Q451 WeakPolarHBondContact O-CB 3.27Å; N448-Q451 PolarHBondContact O-N 2.82Å; N448-Q451 WeakPolarHBondContact OD1-CG 3.44Å; N448-Q451 PolarHBondContact OD1-N 3.35Å; N448-V452 WeakPolarHBondContact O-CG2 3.39Å; N448-V452 PolarHBondContact O-N 2.84Å
449	R	94.1	Very high	93.9	Very high	46 Å²	46	53.1 Å²	53.1	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-38.9	-176.8	-174.1	69.9	-169.2	80.2	8.5	113.5	F71 V452 D453 D470	F71-R449 HydrophobicContact CB-CB 4.28Å; F71-R449 HydrophobicContact CD2-CB 4.36Å; R449-V452 WeakPolarHBondContact O-CB 3.35Å; R449-V452 PolarHBondContact O-N 3.22Å; R449-D453 IonicContact CZ-OD1 2.62Å; R449-D453 IonicContact CZ-OD2 3.14Å; R449-D453 IonicContact NH1-OD1 3.76Å; R449-D453 PolarHBondContact NH1-OD1 2.93Å; R449-D453 IonicContact NH1-OD2 2.85Å; R449-D453 PolarHBondContact NH1-OD2 2.85Å; R449-D453 VanDerWaalsContact NH1-OD2 3.14Å; R449-D453 IonicContact NH2-OD1 2.69Å; R449-D453 PolarHBondContact NH2-OD1 2.48Å; R449-D453 IonicContact NH2-OD2 3.13Å; R449-D453 PolarHBondContact O-N 2.89Å; R449-D453 VanDerWaalsContact O-N 3.09Å; R449-D470 WeakPolarHBondContact CD-OD2 3.3Å; R449-D470 IonicContact CZ-OD2 3.83Å; R449-D470 IonicContact NE-OD1 3.71Å; R449-D470 IonicContact NE-OD2 3.54Å; R449-D470 PolarHBondContact NE-OD2 2.79Å
450	Q	94.8	Very high	93.9	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178.4	-176.8	64.4	53.7	0	0	111.5	N448 V452 D453 D454	N448-Q450 VanDerWaalsContact C-N 3.32Å; N448-Q450 PolarHBondContact O-N 3.49Å; N448-Q450 WeakPolarHBondContact OD1-CB 3.22Å; N448-Q450 PolarHBondContact OD1-N 2.87Å; N448-Q450 VanDerWaalsContact OD1-N 3.09Å; Q450-V452 VanDerWaalsContact C-N 3.27Å; Q450-V452 PolarHBondContact O-N 3.1Å; Q450-D453 PolarHBondContact O-N 3.01Å; Q450-D454 PolarHBondContact NE2-OD1 3.05Å; Q450-D454 PolarHBondContact O-N 3.3Å
451	Q	95.7	Very high	94.1	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-35.5	177.1	-69.1	174.3	-57.4	0	0	111.8	N448 M455 F520	N448-Q451 PolarHBondContact ND2-OE1 2.89Å; N448-Q451 VanDerWaalsContact ND2-OE1 3.17Å; N448-Q451 WeakPolarHBondContact O-CB 3.27Å; N448-Q451 PolarHBondContact O-N 2.82Å; N448-Q451 WeakPolarHBondContact OD1-CG 3.44Å; N448-Q451 PolarHBondContact OD1-N 3.35Å; Q451-M455 WeakPolarHBondContact O-CB 3.25Å; Q451-M455 PolarHBondContact O-N 3.24Å; Q451-M455 VanDerWaalsContact O-N 3.16Å; Q451-F520 HydrophobicContact CB-CE1 3.84Å; Q451-F520 HydrophobicContact CB-CZ 4.14Å; Q451-F520 WeakPolarHBondContact O-CE1 3.45Å
452	V	96.2	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.1	176.1	0	0	0	0	110.3	F71 I447 N448 R449 Q450 M455 F456 F466 V524	F71-V452 HydrophobicContact CD1-CG2 3.84Å; F71-V452 HydrophobicContact CE1-CG2 3.59Å; F71-V452 HydrophobicContact CE2-CG2 4.41Å; F71-V452 HydrophobicContact CG-CG2 4.37Å; F71-V452 HydrophobicContact CZ-CG1 4.39Å; F71-V452 HydrophobicContact CZ-CG2 3.9Å; I447-V452 HydrophobicContact CD1-CG2 3.49Å; I447-V452 VanDerWaalsContact CD1-CG2 3.49Å; I447-V452 HydrophobicContact CG1-CG2 4Å; N448-V452 WeakPolarHBondContact O-CG2 3.39Å; N448-V452 PolarHBondContact O-N 2.84Å; R449-V452 WeakPolarHBondContact O-CB 3.35Å; R449-V452 PolarHBondContact O-N 3.22Å; Q450-V452 VanDerWaalsContact C-N 3.27Å; Q450-V452 PolarHBondContact O-N 3.1Å; V452-M455 PolarHBondContact O-N 2.95Å; V452-F456 HydrophobicContact CG1-CD2 4.05Å; V452-F456 WeakPolarHBondContact O-CD2 3.23Å; V452-F456 PolarHBondContact O-N 3.03Å; V452-F466 HydrophobicContact CG1-CD1 4.01Å; V452-F466 HydrophobicContact CG1-CD2 3.82Å; V452-F466 HydrophobicContact CG1-CE1 3.68Å; V452-F466 HydrophobicContact CG1-CE2 3.48Å; V452-F466 VanDerWaalsContact CG1-CE2 3.48Å; V452-F466 HydrophobicContact CG1-CG 4.09Å; V452-F466 HydrophobicContact CG1-CZ 3.4Å; V452-F466 VanDerWaalsContact CG1-CZ 3.4Å; V452-V524 HydrophobicContact CG1-CG2 4.13Å; V452-V524 HydrophobicContact CG2-CG2 4.18Å
453	D	95.4	Very high	94.5	Very high	31 Å²	31	52.3 Å²	52.3	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-52.3	176.3	-71.4	-37.8	0	0	0	110.9	R449 Q450 M455 F456 Y457 M463	R449-D453 IonicContact CZ-OD1 2.62Å; R449-D453 IonicContact CZ-OD2 3.14Å; R449-D453 IonicContact NH1-OD1 3.76Å; R449-D453 PolarHBondContact NH1-OD1 2.93Å; R449-D453 IonicContact NH1-OD2 2.85Å; R449-D453 PolarHBondContact NH1-OD2 2.85Å; R449-D453 VanDerWaalsContact NH1-OD2 3.14Å; R449-D453 IonicContact NH2-OD1 2.69Å; R449-D453 PolarHBondContact NH2-OD1 2.48Å; R449-D453 IonicContact NH2-OD2 3.13Å; R449-D453 PolarHBondContact O-N 2.89Å; R449-D453 VanDerWaalsContact O-N 3.09Å; Q450-D453 PolarHBondContact O-N 3.01Å; D453-M455 PolarHBondContact O-N 3.12Å; D453-M455 VanDerWaalsContact O-N 3.07Å; D453-F456 PolarHBondContact O-N 3.35Å; D453-F456 VanDerWaalsContact O-N 3.12Å; D453-Y457 WeakPolarHBondContact O-CA 3.23Å; D453-Y457 VanDerWaalsContact O-CB 3.22Å; D453-Y457 WeakPolarHBondContact O-CB 3.46Å; D453-Y457 PolarHBondContact O-N 3.14Å; D453-M463 WeakPolarHBondContact OD1-CE 3.05Å
454	D	96.1	Very high	94.7	Very high	99 Å²	99	57 Å²	57	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-30.2	-178	-63	-17.5	0	0	0	112.7	Q450 Y457	Q450-D454 PolarHBondContact NE2-OD1 3.05Å; Q450-D454 PolarHBondContact O-N 3.3Å; D454-Y457 WeakPolarHBondContact O-CD1 3.11Å
455	M	96.3	Very high	95	Very high	32 Å²	32	57 Å²	57	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-83.7	-33.2	179.7	-176.2	63.9	68.6	0	0	113.7	Q451 V452 D453 L516 R517 F520	Q451-M455 WeakPolarHBondContact O-CB 3.25Å; Q451-M455 PolarHBondContact O-N 3.24Å; Q451-M455 VanDerWaalsContact O-N 3.16Å; V452-M455 PolarHBondContact O-N 2.95Å; D453-M455 PolarHBondContact O-N 3.12Å; D453-M455 VanDerWaalsContact O-N 3.07Å; M455-L516 HydrophobicContact CE-CD2 4.39Å; M455-L516 HydrophobicContact CE-CG 4.3Å; M455-R517 PolarHBondContact O-NH1 3.49Å; M455-R517 HydrophobicContact SD-CB 4.27Å; M455-R517 HydrophobicContact SD-CG 4.08Å; M455-F520 HydrophobicContact CB-CD1 3.65Å; M455-F520 HydrophobicContact CB-CE1 4.04Å; M455-F520 HydrophobicContact CE-CB 4.42Å; M455-F520 HydrophobicContact CE-CD1 3.76Å; M455-F520 HydrophobicContact CE-CD2 4.13Å; M455-F520 HydrophobicContact CE-CE1 3.96Å; M455-F520 HydrophobicContact CE-CE2 4.37Å; M455-F520 HydrophobicContact CE-CG 3.85Å; M455-F520 HydrophobicContact CE-CZ 4.28Å; M455-F520 HydrophobicContact CG-CB 4.11Å; M455-F520 HydrophobicContact CG-CD1 3.68Å; M455-F520 HydrophobicContact CG-CE1 4.43Å; M455-F520 HydrophobicContact CG-CG 4.14Å
456	F	96.4	Very high	95.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-123.9	9.1	-167.2	-58.9	-67.8	0	0	0	114.7	V452 D453 N458 D459 D462 F466 F503 H507 F520 I521 V524	V452-F456 HydrophobicContact CG1-CD2 4.05Å; V452-F456 WeakPolarHBondContact O-CD2 3.23Å; V452-F456 PolarHBondContact O-N 3.03Å; D453-F456 PolarHBondContact O-N 3.35Å; D453-F456 VanDerWaalsContact O-N 3.12Å; F456-N458 PolarHBondContact O-N 3.38Å; F456-D459 PolarHBondContact O-N 3.5Å; F456-D462 HydrophobicContact CB-CB 4.36Å; F456-F466 HydrophobicContact CB-CE2 3.82Å; F456-F466 HydrophobicContact CB-CZ 4.05Å; F456-F466 HydrophobicContact CD2-CE2 4.41Å; F456-F466 AromaticContact CD2-CZ 4Å; F456-F466 HydrophobicContact CD2-CZ 4Å; F456-F466 HydrophobicContact CG-CE2 4.46Å; F456-F466 HydrophobicContact CG-CZ 4.23Å; F456-F503 HydrophobicContact CD1-CE2 4.27Å; F456-F503 HydrophobicContact CD1-CZ 4.32Å; F456-F503 HydrophobicContact CD2-CZ 4.44Å; F456-F503 HydrophobicContact CE1-CE2 4.33Å; F456-F503 AromaticContact CE1-CZ 3.94Å; F456-F503 HydrophobicContact CE1-CZ 3.94Å; F456-F503 HydrophobicContact CE2-CZ 4.07Å; F456-F503 HydrophobicContact CG-CE2 4.4Å; F456-F503 AromaticContact CZ-CZ 3.81Å; F456-F503 HydrophobicContact CZ-CZ 3.81Å; F456-H507 AromaticContact CD1-CE1 3.55Å; F456-H507 AromaticContact CD1-NE2 3.74Å; F456-H507 AromaticContact CE1-CE1 3.83Å; F456-H507 AromaticContact CE1-ND1 3.99Å; F456-F520 HydrophobicContact CE2-CB 4.06Å; F456-F520 HydrophobicContact CE2-CD1 4.42Å; F456-F520 HydrophobicContact CZ-CB 3.98Å; F456-I521 HydrophobicContact CE1-CG1 3.99Å; F456-I521 HydrophobicContact CZ-CG1 3.84Å; F456-V524 HydrophobicContact CD2-CG2 4.49Å; F456-V524 HydrophobicContact CE2-CG2 3.92Å
457	Y	93	Very high	95.5	Very high	143 Å²	143	58.3 Å²	58.3	56%	0.561	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.3	-177.1	72.3	-82.3	0	0	0	116.6	D453 D454	D453-Y457 WeakPolarHBondContact O-CA 3.23Å; D453-Y457 VanDerWaalsContact O-CB 3.22Å; D453-Y457 WeakPolarHBondContact O-CB 3.46Å; D453-Y457 PolarHBondContact O-N 3.14Å; D454-Y457 WeakPolarHBondContact O-CD1 3.11Å
458	N	92.2	Very high	95.8	Very high	122 Å²	122	60 Å²	60	65%	0.652	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.2	-173.2	-71.1	-57.3	0	0	0	114.3	F456	F456-N458 PolarHBondContact O-N 3.38Å
459	D	92.6	Very high	96	Very high	46 Å²	46	57.7 Å²	57.7	25%	0.246	29%	0.288	C	S	.	.			trans	-122	114.7	-177.3	-166.9	-43.1	0	0	0	110.6	F456 S461 D462 M463 R506	F456-D459 PolarHBondContact O-N 3.5Å; D459-S461 PolarHBondContact O-N 2.78Å; D459-S461 WeakPolarHBondContact OD1-CA 3.24Å; D459-S461 WeakPolarHBondContact OD1-CB 3.39Å; D459-S461 PolarHBondContact OD1-N 3.08Å; D459-S461 PolarHBondContact OD1-OG 2.95Å; D459-D462 HydrophobicContact CB-CB 4.14Å; D459-D462 WeakPolarHBondContact O-CB 3.37Å; D459-D462 PolarHBondContact O-N 2.98Å; D459-M463 PolarHBondContact O-N 3.12Å; D459-R506 WeakPolarHBondContact OD2-CD 3.41Å; D459-R506 IonicContact OD2-NE 3.13Å
460	D	94.8	Very high	96.2	Very high	143 Å²	143	58.3 Å²	58.3	77%	0.765	30%	0.295	S	S	*	.	H	α-helix	trans	-57.9	-32	179.6	-66.1	-28.8	0	0	0	112.3	D462 M463 E464	D460-D462 VanDerWaalsContact C-N 3.3Å; D460-D462 PolarHBondContact O-N 3.39Å; D460-M463 PolarHBondContact O-N 2.93Å; D460-E464 PolarHBondContact O-N 2.98Å
461	S	96.3	Very high	96.3	Very high	58 Å²	58	56.4 Å²	56.4	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-31.5	178.1	-32.8	0	0	0	0	111.8	D459 F465	D459-S461 PolarHBondContact O-N 2.78Å; D459-S461 WeakPolarHBondContact OD1-CA 3.24Å; D459-S461 WeakPolarHBondContact OD1-CB 3.39Å; D459-S461 PolarHBondContact OD1-N 3.08Å; D459-S461 PolarHBondContact OD1-OG 2.95Å; S461-F465 WeakPolarHBondContact O-CB 3.32Å; S461-F465 PolarHBondContact O-N 3.39Å; S461-F465 VanDerWaalsContact O-N 3.08Å
462	D	97.7	Very high	96.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.7	-42.9	175.8	-73.2	-19.2	0	0	0	110.7	F456 D459 D460 E464 F465 F466 F503 R506 H507	F456-D462 HydrophobicContact CB-CB 4.36Å; D459-D462 HydrophobicContact CB-CB 4.14Å; D459-D462 WeakPolarHBondContact O-CB 3.37Å; D459-D462 PolarHBondContact O-N 2.98Å; D460-D462 VanDerWaalsContact C-N 3.3Å; D460-D462 PolarHBondContact O-N 3.39Å; D462-E464 PolarHBondContact O-N 2.92Å; D462-F465 WeakPolarHBondContact O-CB 3.43Å; D462-F465 PolarHBondContact O-N 3.39Å; D462-F466 HydrophobicContact CB-CE2 3.79Å; D462-F466 HydrophobicContact CB-CZ 4.07Å; D462-F466 WeakPolarHBondContact O-CD2 3.26Å; D462-F466 WeakPolarHBondContact O-CE2 3.4Å; D462-F466 WeakPolarHBondContact O-CG 3.12Å; D462-F466 PolarHBondContact O-N 2.93Å; D462-F503 WeakPolarHBondContact OD1-CD2 3.37Å; D462-R506 IonicContact OD1-CZ 3.74Å; D462-R506 IonicContact OD1-NH1 3.7Å; D462-R506 PolarHBondContact OD1-NH1 3.26Å; D462-R506 IonicContact OD1-NH2 3.56Å; D462-R506 IonicContact OD2-NH1 3.9Å; D462-H507 IonicContact OD1-NE2 2.58Å; D462-H507 IonicContact OD2-CD2 3.48Å; D462-H507 IonicContact OD2-CE1 3.63Å; D462-H507 PolarHBondContact OD2-CE1 3.01Å; D462-H507 VanDerWaalsContact OD2-CE1 3.31Å; D462-H507 IonicContact OD2-NE2 3.31Å; D462-H507 PolarHBondContact OD2-NE2 2.86Å
463	M	96.9	Very high	96.4	Very high	52 Å²	52	54.3 Å²	54.3	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-45.2	176.4	-61.7	-53.5	-59	0	0	111.4	D453 D459 D460 F465 F466 D467	D453-M463 WeakPolarHBondContact OD1-CE 3.05Å; D459-M463 PolarHBondContact O-N 3.12Å; D460-M463 PolarHBondContact O-N 2.93Å; M463-F465 VanDerWaalsContact C-N 3.34Å; M463-F465 PolarHBondContact O-N 3.45Å; M463-F466 PolarHBondContact O-N 3.02Å; M463-F466 HydrophobicContact SD-CD2 4.38Å; M463-D467 WeakPolarHBondContact O-CB 3.47Å; M463-D467 PolarHBondContact O-N 3.18Å
464	E	97.5	Very high	96.5	Very high	119 Å²	119	58.6 Å²	58.6	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-60.4	-42.4	174	-176.3	-177.9	175	0	0	111.9	D460 D462 D467 N468	D460-E464 PolarHBondContact O-N 2.98Å; D462-E464 PolarHBondContact O-N 2.92Å; E464-D467 PolarHBondContact O-N 3.04Å; E464-N468 WeakPolarHBondContact O-CB 3.42Å; E464-N468 VanDerWaalsContact O-CG 3.23Å; E464-N468 PolarHBondContact O-N 2.93Å; E464-N468 PolarHBondContact O-ND2 2.74Å; E464-N468 VanDerWaalsContact O-ND2 3.08Å
465	F	98.4	Very high	96.6	Very high	3 Å²	3	57 Å²	57	1%	0.013	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-45.6	176.7	166	-135.2	0	0	0	112.3	S461 D462 M463 N468 L469 I496 Q499 T500 F503 V524 S528	S461-F465 WeakPolarHBondContact O-CB 3.32Å; S461-F465 PolarHBondContact O-N 3.39Å; S461-F465 VanDerWaalsContact O-N 3.08Å; D462-F465 WeakPolarHBondContact O-CB 3.43Å; D462-F465 PolarHBondContact O-N 3.39Å; M463-F465 VanDerWaalsContact C-N 3.34Å; M463-F465 PolarHBondContact O-N 3.45Å; F465-N468 PolarHBondContact O-N 3.09Å; F465-L469 WeakPolarHBondContact O-CB 3.41Å; F465-L469 PolarHBondContact O-N 3.34Å; F465-I496 HydrophobicContact CD2-CD1 4.39Å; F465-I496 HydrophobicContact CE2-CD1 4.49Å; F465-I496 HydrophobicContact CE2-CG2 4.18Å; F465-Q499 HydrophobicContact CB-CB 4.38Å; F465-Q499 HydrophobicContact CD2-CB 3.53Å; F465-Q499 HydrophobicContact CE2-CB 4.02Å; F465-Q499 HydrophobicContact CG-CB 4.12Å; F465-T500 WeakPolarHBondContact CE2-OG1 3.21Å; F465-T500 HydrophobicContact CZ-CG2 4.3Å; F465-T500 WeakPolarHBondContact CZ-OG1 3.4Å; F465-F503 HydrophobicContact CD1-CB 4.23Å; F465-F503 HydrophobicContact CD1-CD2 4.01Å; F465-F503 HydrophobicContact CD1-CG 4.26Å; F465-F503 HydrophobicContact CE1-CB 4.03Å; F465-F503 HydrophobicContact CE1-CD2 4.08Å; F465-F503 AromaticContact CE1-CG 3.97Å; F465-F503 HydrophobicContact CE1-CG 3.97Å; F465-V524 HydrophobicContact CE1-CG1 3.77Å; F465-V524 HydrophobicContact CZ-CG1 4.43Å; F465-S528 WeakPolarHBondContact CZ-OG 3.27Å
466	F	98	Very high	96.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-39.6	179.2	-55.3	-38.1	0	0	0	112.1	V452 F456 D462 M463 N468 L469 D470 F503 V524	V452-F466 HydrophobicContact CG1-CD1 4.01Å; V452-F466 HydrophobicContact CG1-CD2 3.82Å; V452-F466 HydrophobicContact CG1-CE1 3.68Å; V452-F466 HydrophobicContact CG1-CE2 3.48Å; V452-F466 VanDerWaalsContact CG1-CE2 3.48Å; V452-F466 HydrophobicContact CG1-CG 4.09Å; V452-F466 HydrophobicContact CG1-CZ 3.4Å; V452-F466 VanDerWaalsContact CG1-CZ 3.4Å; F456-F466 HydrophobicContact CB-CE2 3.82Å; F456-F466 HydrophobicContact CB-CZ 4.05Å; F456-F466 HydrophobicContact CD2-CE2 4.41Å; F456-F466 AromaticContact CD2-CZ 4Å; F456-F466 HydrophobicContact CD2-CZ 4Å; F456-F466 HydrophobicContact CG-CE2 4.46Å; F456-F466 HydrophobicContact CG-CZ 4.23Å; D462-F466 HydrophobicContact CB-CE2 3.79Å; D462-F466 HydrophobicContact CB-CZ 4.07Å; D462-F466 WeakPolarHBondContact O-CD2 3.26Å; D462-F466 WeakPolarHBondContact O-CE2 3.4Å; D462-F466 WeakPolarHBondContact O-CG 3.12Å; D462-F466 PolarHBondContact O-N 2.93Å; M463-F466 PolarHBondContact O-N 3.02Å; M463-F466 HydrophobicContact SD-CD2 4.38Å; F466-N468 VanDerWaalsContact C-N 3.33Å; F466-N468 PolarHBondContact O-N 3.03Å; F466-L469 PolarHBondContact O-N 2.66Å; F466-D470 WeakPolarHBondContact O-CB 3.34Å; F466-D470 PolarHBondContact O-N 2.98Å; F466-F503 HydrophobicContact CE1-CE2 4.26Å; F466-F503 AromaticContact CZ-CE2 3.91Å; F466-F503 HydrophobicContact CZ-CE2 3.91Å; F466-V524 HydrophobicContact CE1-CG1 3.76Å; F466-V524 HydrophobicContact CE1-CG2 4.37Å
467	D	97.6	Very high	96.7	Very high	83 Å²	83	56 Å²	56	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-41.7	174.1	-75.6	-10.2	0	0	0	111.4	M463 E464 D470 N471	M463-D467 WeakPolarHBondContact O-CB 3.47Å; M463-D467 PolarHBondContact O-N 3.18Å; E464-D467 PolarHBondContact O-N 3.04Å; D467-D470 PolarHBondContact O-N 2.82Å; D467-N471 WeakPolarHBondContact O-CB 3.3Å; D467-N471 PolarHBondContact O-N 3.46Å; D467-N471 VanDerWaalsContact O-N 3.11Å; D467-N471 PolarHBondContact O-ND2 3.06Å
468	N	98.4	Very high	96.8	Very high	44 Å²	44	54.1 Å²	54.1	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-40.7	174.5	-72.4	-36.7	0	0	0	111.5	E464 F465 F466 N471 I472 I496 Q499	E464-N468 WeakPolarHBondContact O-CB 3.42Å; E464-N468 VanDerWaalsContact O-CG 3.23Å; E464-N468 PolarHBondContact O-N 2.93Å; E464-N468 PolarHBondContact O-ND2 2.74Å; E464-N468 VanDerWaalsContact O-ND2 3.08Å; F465-N468 PolarHBondContact O-N 3.09Å; F466-N468 VanDerWaalsContact C-N 3.33Å; F466-N468 PolarHBondContact O-N 3.03Å; N468-N471 PolarHBondContact O-N 2.97Å; N468-I472 WeakPolarHBondContact O-CB 3.31Å; N468-I472 PolarHBondContact O-N 3.17Å; N468-I496 HydrophobicContact CB-CD1 3.59Å; N468-Q499 PolarHBondContact ND2-NE2 2.77Å; N468-Q499 PolarHBondContact ND2-OE1 2.8Å
469	L	98.2	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-36.7	177.7	-176.3	63.8	0	0	0	112.2	P70 F71 F465 F466 N471 I472 I496 S528 I531	P70-L469 HydrophobicContact CB-CD2 4.24Å; P70-L469 HydrophobicContact CB-CG 4.13Å; P70-L469 HydrophobicContact CG-CG 4.28Å; F71-L469 HydrophobicContact CE2-CD2 3.93Å; F71-L469 HydrophobicContact CZ-CD2 3.99Å; F465-L469 WeakPolarHBondContact O-CB 3.41Å; F465-L469 PolarHBondContact O-N 3.34Å; F466-L469 PolarHBondContact O-N 2.66Å; L469-N471 VanDerWaalsContact C-N 3.31Å; L469-I472 WeakPolarHBondContact O-CG2 3.34Å; L469-I496 HydrophobicContact CB-CD1 4.39Å; L469-I496 HydrophobicContact CD1-CG2 3.86Å; L469-S528 WeakPolarHBondContact CD2-OG 3.36Å; L469-I531 HydrophobicContact CD1-CB 4.16Å; L469-I531 HydrophobicContact CD1-CG1 4.36Å; L469-I531 HydrophobicContact CD1-CG2 4.18Å
470	D	96.9	Very high	97.2	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-67	-34.6	175.7	-75.8	-28.1	0	0	0	111.5	P70 R449 F466 D467	P70-D470 WeakPolarHBondContact CG-OD1 3.48Å; R449-D470 WeakPolarHBondContact CD-OD2 3.3Å; R449-D470 IonicContact CZ-OD2 3.83Å; R449-D470 IonicContact NE-OD1 3.71Å; R449-D470 IonicContact NE-OD2 3.54Å; R449-D470 PolarHBondContact NE-OD2 2.79Å; F466-D470 WeakPolarHBondContact O-CB 3.34Å; F466-D470 PolarHBondContact O-N 2.98Å; D467-D470 PolarHBondContact O-N 2.82Å
471	N	97.7	Very high	97.1	Very high	75 Å²	75	42.1 Å²	42.1	40%	0.401	21%	0.212	S	C	.	.	H	α-helix	trans	-96.6	-9.7	-175.6	-69.4	-61	0	0	0	114.9	D467 N468 L469 S473 H474 H475	D467-N471 WeakPolarHBondContact O-CB 3.3Å; D467-N471 PolarHBondContact O-N 3.46Å; D467-N471 VanDerWaalsContact O-N 3.11Å; D467-N471 PolarHBondContact O-ND2 3.06Å; N468-N471 PolarHBondContact O-N 2.97Å; L469-N471 VanDerWaalsContact C-N 3.31Å; N471-S473 VanDerWaalsContact C-N 3.28Å; N471-S473 PolarHBondContact O-N 3.44Å; N471-H474 WeakPolarHBondContact O-CB 3.28Å; N471-H474 PolarHBondContact O-N 3.29Å; N471-H475 PolarHBondContact O-N 3.32Å; N471-H475 VanDerWaalsContact O-N 3.09Å
472	I	98	Very high	96.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-54.6	-40.8	-173.7	-172.3	174.1	0	0	0	112.8	N468 L469 H474 H475 F476 V493 I496 I531 L535	N468-I472 WeakPolarHBondContact O-CB 3.31Å; N468-I472 PolarHBondContact O-N 3.17Å; L469-I472 WeakPolarHBondContact O-CG2 3.34Å; I472-H474 VanDerWaalsContact C-N 3.27Å; I472-H474 PolarHBondContact O-N 2.99Å; I472-H475 PolarHBondContact O-N 3.03Å; I472-F476 WeakPolarHBondContact O-CB 2.88Å; I472-F476 PolarHBondContact O-N 2.94Å; I472-V493 HydrophobicContact CD1-CB 4.34Å; I472-V493 HydrophobicContact CD1-CG1 4.48Å; I472-V493 HydrophobicContact CD1-CG2 4.13Å; I472-I496 HydrophobicContact CB-CG1 4.35Å; I472-I496 HydrophobicContact CD1-CB 4.01Å; I472-I496 HydrophobicContact CD1-CG1 3.43Å; I472-I496 VanDerWaalsContact CD1-CG1 3.43Å; I472-I496 HydrophobicContact CG1-CG1 4.23Å; I472-I531 HydrophobicContact CG2-CG2 3.63Å; I472-L535 HydrophobicContact CB-CD1 4.42Å; I472-L535 HydrophobicContact CD1-CD1 3.73Å; I472-L535 HydrophobicContact CG1-CD1 3.69Å; I472-L535 HydrophobicContact CG2-CD1 3.96Å
473	S	96.3	Very high	96.7	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-36.3	179.5	-178.6	0	0	0	0	112.2	L68 N471 D477	L68-S473 VanDerWaalsContact CD1-OG 3.24Å; L68-S473 WeakPolarHBondContact CD1-OG 3.47Å; N471-S473 VanDerWaalsContact C-N 3.28Å; N471-S473 PolarHBondContact O-N 3.44Å; S473-D477 WeakPolarHBondContact O-CB 3.49Å; S473-D477 PolarHBondContact O-N 3.4Å
474	H	97.2	Very high	96.7	Very high	121 Å²	121	45.2 Å²	45.2	56%	0.56	22%	0.215	S	C	*	.	H	α-helix	trans	-73.5	-45	178.5	169.2	-100.6	0	0	0	111.1	N471 I472 D477 K478	N471-H474 WeakPolarHBondContact O-CB 3.28Å; N471-H474 PolarHBondContact O-N 3.29Å; I472-H474 VanDerWaalsContact C-N 3.27Å; I472-H474 PolarHBondContact O-N 2.99Å; H474-D477 PolarHBondContact O-N 2.8Å; H474-K478 WeakPolarHBondContact O-CB 3.4Å; H474-K478 PolarHBondContact O-N 3.1Å
475	H	97.5	Very high	96.6	Very high	66 Å²	66	40 Å²	40	31%	0.306	19%	0.19	S	C	.	.	H	α-helix	trans	-63.9	-42.1	176.8	-65.3	169.6	0	0	0	112	N471 I472 K478 L479	N471-H475 PolarHBondContact O-N 3.32Å; N471-H475 VanDerWaalsContact O-N 3.09Å; I472-H475 PolarHBondContact O-N 3.03Å; H475-K478 PolarHBondContact O-N 3.02Å; H475-L479 WeakPolarHBondContact O-CG 3.23Å; H475-L479 PolarHBondContact O-N 3.28Å
476	F	98.1	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-48.7	173.5	-168.7	-77.1	0	0	0	110.7	Y59 I472 K478 L479 W480 A489 V493 L535	Y59-F476 HydrophobicContact CD2-CD1 4.19Å; Y59-F476 AromaticContact CD2-CE1 3.61Å; Y59-F476 HydrophobicContact CD2-CE1 3.61Å; Y59-F476 HydrophobicContact CE1-CD1 4.34Å; Y59-F476 HydrophobicContact CE1-CE1 4.33Å; Y59-F476 AromaticContact CE2-CD1 3.44Å; Y59-F476 HydrophobicContact CE2-CD1 3.44Å; Y59-F476 VanDerWaalsContact CE2-CD1 3.44Å; Y59-F476 AromaticContact CE2-CE1 3.35Å; Y59-F476 HydrophobicContact CE2-CE1 3.35Å; Y59-F476 HydrophobicContact CG-CE1 4.23Å; Y59-F476 AromaticContact CZ-CD1 3.54Å; Y59-F476 AromaticContact CZ-CE1 3.76Å; I472-F476 WeakPolarHBondContact O-CB 2.88Å; I472-F476 PolarHBondContact O-N 2.94Å; F476-K478 PolarHBondContact O-N 2.84Å; F476-L479 PolarHBondContact O-N 3.35Å; F476-W480 HydrophobicContact CD1-CB 3.95Å; F476-W480 HydrophobicContact CD1-CG 4.37Å; F476-W480 HydrophobicContact CE1-CB 3.83Å; F476-W480 AromaticContact CE1-CD2 3.64Å; F476-W480 HydrophobicContact CE1-CD2 3.64Å; F476-W480 AromaticContact CE1-CE3 3.51Å; F476-W480 HydrophobicContact CE1-CE3 3.51Å; F476-W480 AromaticContact CE1-CG 3.77Å; F476-W480 HydrophobicContact CE1-CG 3.77Å; F476-W480 HydrophobicContact CE1-CZ3 4.36Å; F476-W480 HydrophobicContact CE2-CE3 4.16Å; F476-W480 AromaticContact CZ-CD2 3.9Å; F476-W480 HydrophobicContact CZ-CD2 3.9Å; F476-W480 AromaticContact CZ-CE3 3.26Å; F476-W480 HydrophobicContact CZ-CE3 3.26Å; F476-W480 HydrophobicContact CZ-CG 4.47Å; F476-W480 AromaticContact CZ-CZ3 3.77Å; F476-W480 HydrophobicContact CZ-CZ3 3.77Å; F476-W480 WeakPolarHBondContact O-CB 3.36Å; F476-W480 PolarHBondContact O-N 3.4Å; F476-A489 HydrophobicContact CD1-CB 4.3Å; F476-A489 HydrophobicContact CD2-CB 3.78Å; F476-A489 VanDerWaalsContact CD2-O 3.24Å; F476-A489 WeakPolarHBondContact CD2-O 3.44Å; F476-A489 HydrophobicContact CE1-CB 4.34Å; F476-A489 HydrophobicContact CE2-CB 3.83Å; F476-A489 WeakPolarHBondContact CE2-O 3.3Å; F476-A489 HydrophobicContact CG-CB 4.03Å; F476-A489 HydrophobicContact CZ-CB 4.13Å; F476-V493 HydrophobicContact CD2-CG2 3.59Å; F476-V493 HydrophobicContact CE2-CG2 3.65Å; F476-L535 HydrophobicContact CB-CD1 4.41Å; F476-L535 HydrophobicContact CB-CD2 4.31Å; F476-L535 HydrophobicContact CD1-CD2 4.09Å; F476-L535 HydrophobicContact CD2-CB 4.16Å; F476-L535 HydrophobicContact CD2-CD1 4.33Å; F476-L535 HydrophobicContact CD2-CD2 4.34Å; F476-L535 HydrophobicContact CE2-CB 4.1Å; F476-L535 HydrophobicContact CG-CD1 4.46Å; F476-L535 HydrophobicContact CG-CD2 3.98Å; F476-L535 WeakPolarHBondContact CZ-O 3.49Å
477	D	97	Very high	96.4	Very high	13 Å²	13	41 Å²	41	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-43.2	179.5	-160.9	59.4	0	0	0	112.7	Y59 R63 S473 H474 W481 Y482	Y59-D477 WeakPolarHBondContact CE1-OD1 3.36Å; Y59-D477 WeakPolarHBondContact OH-CA 3.17Å; Y59-D477 VanDerWaalsContact OH-CB 3.22Å; Y59-D477 WeakPolarHBondContact OH-CB 3.35Å; Y59-D477 PolarHBondContact OH-N 2.81Å; Y59-D477 PolarHBondContact OH-OD1 3.25Å; R63-D477 WeakPolarHBondContact CG-OD1 3.23Å; R63-D477 IonicContact CZ-OD1 2.69Å; R63-D477 IonicContact CZ-OD2 3.58Å; R63-D477 IonicContact NE-OD1 3.25Å; R63-D477 PolarHBondContact NE-OD1 2.8Å; R63-D477 IonicContact NE-OD2 3.89Å; R63-D477 IonicContact NH2-OD1 3.62Å; R63-D477 PolarHBondContact NH2-OD1 2.87Å; R63-D477 IonicContact NH2-OD2 3.8Å; R63-D477 PolarHBondContact NH2-OD2 3.04Å; S473-D477 WeakPolarHBondContact O-CB 3.49Å; S473-D477 PolarHBondContact O-N 3.4Å; H474-D477 PolarHBondContact O-N 2.8Å; D477-W481 WeakPolarHBondContact O-CA 3.44Å; D477-W481 VanDerWaalsContact O-CB 3.23Å; D477-W481 WeakPolarHBondContact O-CB 3.45Å; D477-W481 PolarHBondContact O-N 2.8Å; D477-Y482 WeakPolarHBondContact OD2-CE2 3.35Å
478	K	96	Very high	96.4	Very high	104 Å²	104	41.5 Å²	41.5	45%	0.452	19%	0.194	S	C	.	.	I	π-helix	trans	-54.9	-56	175.8	-173.4	-177.7	176.7	-165.1	0	111.4	H474 H475 F476 Y482 E483	H474-K478 WeakPolarHBondContact O-CB 3.4Å; H474-K478 PolarHBondContact O-N 3.1Å; H475-K478 PolarHBondContact O-N 3.02Å; F476-K478 PolarHBondContact O-N 2.84Å; K478-Y482 PolarHBondContact O-N 3.38Å; K478-E483 WeakPolarHBondContact CE-OE1 3.43Å; K478-E483 IonicContact NZ-OE1 3.86Å; K478-E483 PolarHBondContact O-N 3.03Å
479	L	96.2	Very high	96.4	Very high	21 Å²	21	39.4 Å²	39.4	11%	0.11	18%	0.182	C	C	.	.	I	π-helix	trans	-67.3	-45.2	-177.5	-69.9	167.4	0	0	0	111.8	H475 F476 A484 Q485 K488 A489 E492	H475-L479 WeakPolarHBondContact O-CG 3.23Å; H475-L479 PolarHBondContact O-N 3.28Å; F476-L479 PolarHBondContact O-N 3.35Å; L479-A484 PolarHBondContact O-N 2.85Å; L479-Q485 WeakPolarHBondContact O-CA 3.44Å; L479-Q485 PolarHBondContact O-N 3.01Å; L479-K488 HydrophobicContact CD1-CB 4.11Å; L479-K488 HydrophobicContact CD2-CB 3.99Å; L479-K488 HydrophobicContact CD2-CD 4.15Å; L479-K488 HydrophobicContact CG-CB 4.46Å; L479-A489 HydrophobicContact CB-CB 3.85Å; L479-E492 HydrophobicContact CD1-CG 3.42Å; L479-E492 VanDerWaalsContact CD1-CG 3.42Å
480	W	95.9	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-74.1	-46.3	-173.4	-172.7	-76.2	0	0	0	112.6	A55 W56 Y59 F476 P486 A489 I490 P538 V539	A55-W480 HydrophobicContact CB-CH2 3.86Å; A55-W480 HydrophobicContact CB-CZ2 3.63Å; W56-W480 AromaticContact CD1-CD1 3.34Å; W56-W480 AromaticContact CD1-CE2 3.98Å; W56-W480 AromaticContact CD1-NE1 2.87Å; W56-W480 AromaticContact CG-NE1 3.91Å; W56-W480 AromaticContact NE1-CD1 3.14Å; W56-W480 AromaticContact NE1-NE1 3.07Å; W56-W480 PolarHBondContact NE1-O 3Å; W56-W480 VanDerWaalsContact NE1-O 3.12Å; Y59-W480 HydrophobicContact CD1-CB 4.5Å; Y59-W480 AromaticContact CD1-CD1 3.14Å; Y59-W480 HydrophobicContact CD1-CD2 4.48Å; Y59-W480 AromaticContact CD1-CG 3.84Å; Y59-W480 HydrophobicContact CD1-CG 3.84Å; Y59-W480 AromaticContact CD1-NE1 3.45Å; Y59-W480 HydrophobicContact CE1-CB 4.2Å; Y59-W480 AromaticContact CE1-CD1 3.63Å; Y59-W480 HydrophobicContact CE1-CG 4.02Å; Y59-W480 AromaticContact CG-CD1 3.79Å; Y59-W480 HydrophobicContact CG-CG 4.32Å; Y59-W480 AromaticContact CG-NE1 3.69Å; F476-W480 HydrophobicContact CD1-CB 3.95Å; F476-W480 HydrophobicContact CD1-CG 4.37Å; F476-W480 HydrophobicContact CE1-CB 3.83Å; F476-W480 AromaticContact CE1-CD2 3.64Å; F476-W480 HydrophobicContact CE1-CD2 3.64Å; F476-W480 AromaticContact CE1-CE3 3.51Å; F476-W480 HydrophobicContact CE1-CE3 3.51Å; F476-W480 AromaticContact CE1-CG 3.77Å; F476-W480 HydrophobicContact CE1-CG 3.77Å; F476-W480 HydrophobicContact CE1-CZ3 4.36Å; F476-W480 HydrophobicContact CE2-CE3 4.16Å; F476-W480 AromaticContact CZ-CD2 3.9Å; F476-W480 HydrophobicContact CZ-CD2 3.9Å; F476-W480 AromaticContact CZ-CE3 3.26Å; F476-W480 HydrophobicContact CZ-CE3 3.26Å; F476-W480 HydrophobicContact CZ-CG 4.47Å; F476-W480 AromaticContact CZ-CZ3 3.77Å; F476-W480 HydrophobicContact CZ-CZ3 3.77Å; F476-W480 WeakPolarHBondContact O-CB 3.36Å; F476-W480 PolarHBondContact O-N 3.4Å; W480-P486 HydrophobicContact CD2-CB 4.01Å; W480-P486 HydrophobicContact CE3-CB 3.59Å; W480-P486 HydrophobicContact CH2-CB 3.83Å; W480-P486 HydrophobicContact CZ2-CB 4.24Å; W480-P486 HydrophobicContact CZ3-CB 3.49Å; W480-P486 VanDerWaalsContact CZ3-CB 3.49Å; W480-A489 HydrophobicContact CB-CB 3.85Å; W480-A489 HydrophobicContact CE3-CB 3.85Å; W480-I490 HydrophobicContact CZ3-CD1 4.28Å; W480-I490 HydrophobicContact CZ3-CG1 4.12Å; W480-P538 HydrophobicContact CH2-CB 4.32Å; W480-P538 HydrophobicContact CZ2-CB 4.26Å; W480-V539 HydrophobicContact CH2-CG2 3.8Å; W480-V539 HydrophobicContact CZ3-CG2 3.8Å
481	W	93.4	Very high	96.5	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.148	18%	0.181	C	C	.	.	I	π-helix	trans	-96.5	-47.3	-169.5	-163.2	-91.5	0	0	0	113.4	F29 W56 Y59 R63 D477	F29-W481 AromaticContact CE1-CH2 3.73Å; F29-W481 HydrophobicContact CE1-CH2 3.73Å; F29-W481 HydrophobicContact CE1-CZ2 4.16Å; F29-W481 HydrophobicContact CE2-CH2 4.11Å; F29-W481 AromaticContact CE2-CZ2 3.83Å; F29-W481 HydrophobicContact CE2-CZ2 3.83Å; F29-W481 AromaticContact CZ-CH2 3.45Å; F29-W481 HydrophobicContact CZ-CH2 3.45Å; F29-W481 VanDerWaalsContact CZ-CH2 3.45Å; F29-W481 AromaticContact CZ-CZ2 3.39Å; F29-W481 HydrophobicContact CZ-CZ2 3.39Å; W56-W481 AromaticContact CD1-CE3 3.72Å; W56-W481 AromaticContact CD1-CZ3 3.77Å; W56-W481 HydrophobicContact CG-CZ3 4.36Å; Y59-W481 HydrophobicContact CD1-CE3 4.01Å; Y59-W481 HydrophobicContact CE1-CE3 4.39Å; R63-W481 VanDerWaalsContact CZ-CD1 3.48Å; R63-W481 VanDerWaalsContact CZ-CG 3.44Å; R63-W481 VanDerWaalsContact NH1-NE1 3.11Å; D477-W481 WeakPolarHBondContact O-CA 3.44Å; D477-W481 VanDerWaalsContact O-CB 3.23Å; D477-W481 WeakPolarHBondContact O-CB 3.45Å; D477-W481 PolarHBondContact O-N 2.8Å
482	Y	92.4	Very high	96.5	Very high	133 Å²	133	39.6 Å²	39.6	52%	0.522	18%	0.179	S	C	.	.	I	π-helix	trans	-90.3	-36.7	-173.3	-60.5	-77.9	0	0	0	112.8	R63 D477 K478	R63-Y482 PolarHBondContact NH2-OH 3.04Å; R63-Y482 VanDerWaalsContact NH2-OH 3.13Å; D477-Y482 WeakPolarHBondContact OD2-CE2 3.35Å; K478-Y482 PolarHBondContact O-N 3.38Å
483	E	93.9	Very high	96.6	Very high	42 Å²	42	39.5 Å²	39.5	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	-92.4	-10.2	177.9	-62.7	-175.5	-163.9	0	0	113.1	S238 K478 Q485	S238-E483 WeakPolarHBondContact CB-O 3.24Å; K478-E483 WeakPolarHBondContact CE-OE1 3.43Å; K478-E483 IonicContact NZ-OE1 3.86Å; K478-E483 PolarHBondContact O-N 3.03Å; E483-Q485 VanDerWaalsContact C-N 3.35Å; E483-Q485 HydrophobicContact CB-CG 4.07Å; E483-Q485 WeakPolarHBondContact O-CG 3.15Å; E483-Q485 PolarHBondContact O-N 2.93Å
484	A	95.1	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.17	C	C	.	.			trans	52.6	50.9	-177.4	0	0	0	0	0	112.2	W56 P235 I346 L403 L479	W56-A484 HydrophobicContact CH2-CB 4.14Å; W56-A484 HydrophobicContact CZ2-CB 4.03Å; P235-A484 HydrophobicContact CG-CB 4.43Å; I346-A484 HydrophobicContact CD1-CB 4.08Å; L403-A484 VanDerWaalsContact CB-O 3.28Å; L403-A484 WeakPolarHBondContact CB-O 3.46Å; L403-A484 HydrophobicContact CD1-CB 4.04Å; L403-A484 WeakPolarHBondContact CD1-O 3.29Å; L479-A484 PolarHBondContact O-N 2.85Å
485	Q	95.4	Very high	96.7	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.037	15%	0.15	C	C	.	.			trans	-128	65.8	-178.8	-61.5	-70	-73	0	0	110.8	T404 L479 E483 H487 K488 A489	T404-Q485 PolarHBondContact OG1-NE2 3.18Å; T404-Q485 PolarHBondContact OG1-OE1 3.03Å; L479-Q485 WeakPolarHBondContact O-CA 3.44Å; L479-Q485 PolarHBondContact O-N 3.01Å; E483-Q485 VanDerWaalsContact C-N 3.35Å; E483-Q485 HydrophobicContact CB-CG 4.07Å; E483-Q485 WeakPolarHBondContact O-CG 3.15Å; E483-Q485 PolarHBondContact O-N 2.93Å; Q485-H487 VanDerWaalsContact C-N 3.27Å; Q485-H487 PolarHBondContact O-N 3.39Å; Q485-H487 PolarHBondContact OE1-CE1 3.28Å; Q485-K488 HydrophobicContact CB-CB 4.08Å; Q485-K488 HydrophobicContact CB-CD 3.99Å; Q485-K488 HydrophobicContact CB-CG 4.07Å; Q485-K488 HydrophobicContact CG-CD 4.19Å; Q485-K488 PolarHBondContact O-N 3.37Å; Q485-A489 PolarHBondContact O-N 3.34Å; Q485-A489 VanDerWaalsContact O-N 3.1Å
486	P	96.8	Very high	96.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-37	-177.5	24.6	-34.7	0	0	0	112.5	L52 L403 W480 K488 A489 I490	L52-P486 HydrophobicContact CD1-CG 3.84Å; L403-P486 HydrophobicContact CD1-CG 4.22Å; W480-P486 HydrophobicContact CD2-CB 4.01Å; W480-P486 HydrophobicContact CE3-CB 3.59Å; W480-P486 HydrophobicContact CH2-CB 3.83Å; W480-P486 HydrophobicContact CZ2-CB 4.24Å; W480-P486 HydrophobicContact CZ3-CB 3.49Å; W480-P486 VanDerWaalsContact CZ3-CB 3.49Å; P486-K488 VanDerWaalsContact C-N 3.28Å; P486-K488 PolarHBondContact O-N 2.99Å; P486-A489 PolarHBondContact O-N 3.43Å; P486-I490 VanDerWaalsContact O-CG1 3.23Å; P486-I490 WeakPolarHBondContact O-CG1 3.46Å; P486-I490 PolarHBondContact O-N 3.41Å
487	H	97.2	Very high	96.8	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.102	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-35.6	176.5	67.5	-77.8	0	0	0	113.3	R399 Q485 E491	R399-H487 PolarHBondContact NH1-O 3.46Å; R399-H487 WeakPolarHBondContact O-CB 3.39Å; Q485-H487 VanDerWaalsContact C-N 3.27Å; Q485-H487 PolarHBondContact O-N 3.39Å; Q485-H487 PolarHBondContact OE1-CE1 3.28Å; H487-E491 PolarHBondContact O-N 3.11Å; H487-E491 VanDerWaalsContact O-N 3.12Å
488	K	97.5	Very high	96.9	Very high	94 Å²	94	33.5 Å²	33.5	41%	0.409	15%	0.148	S	C	.	.	H	α-helix	trans	-75.3	-41.3	175.5	-64.1	-173.8	-178.5	175	0	111.6	L479 Q485 P486 I490 E491 E492	L479-K488 HydrophobicContact CD1-CB 4.11Å; L479-K488 HydrophobicContact CD2-CB 3.99Å; L479-K488 HydrophobicContact CD2-CD 4.15Å; L479-K488 HydrophobicContact CG-CB 4.46Å; Q485-K488 HydrophobicContact CB-CB 4.08Å; Q485-K488 HydrophobicContact CB-CD 3.99Å; Q485-K488 HydrophobicContact CB-CG 4.07Å; Q485-K488 HydrophobicContact CG-CD 4.19Å; Q485-K488 PolarHBondContact O-N 3.37Å; P486-K488 VanDerWaalsContact C-N 3.28Å; P486-K488 PolarHBondContact O-N 2.99Å; K488-I490 PolarHBondContact O-N 2.8Å; K488-E491 WeakPolarHBondContact O-CA 3.47Å; K488-E491 VanDerWaalsContact O-CB 3.31Å; K488-E491 WeakPolarHBondContact O-CB 3.29Å; K488-E491 PolarHBondContact O-N 3.4Å; K488-E492 PolarHBondContact O-N 3.3Å
489	A	98.2	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-38.7	173.8	0	0	0	0	0	111.5	F476 L479 W480 Q485 P486 E492 V493	F476-A489 HydrophobicContact CD1-CB 4.3Å; F476-A489 HydrophobicContact CD2-CB 3.78Å; F476-A489 VanDerWaalsContact CD2-O 3.24Å; F476-A489 WeakPolarHBondContact CD2-O 3.44Å; F476-A489 HydrophobicContact CE1-CB 4.34Å; F476-A489 HydrophobicContact CE2-CB 3.83Å; F476-A489 WeakPolarHBondContact CE2-O 3.3Å; F476-A489 HydrophobicContact CG-CB 4.03Å; F476-A489 HydrophobicContact CZ-CB 4.13Å; L479-A489 HydrophobicContact CB-CB 3.85Å; W480-A489 HydrophobicContact CB-CB 3.85Å; W480-A489 HydrophobicContact CE3-CB 3.85Å; Q485-A489 PolarHBondContact O-N 3.34Å; Q485-A489 VanDerWaalsContact O-N 3.1Å; P486-A489 PolarHBondContact O-N 3.43Å; A489-E492 WeakPolarHBondContact O-CB 3.44Å; A489-E492 PolarHBondContact O-N 3Å; A489-V493 PolarHBondContact O-N 2.98Å
490	I	98.5	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-40.1	172.4	-62.7	161.2	0	0	0	111	Y395 L398 R399 W480 P486 K488 E492 V493 L494 L536 V539	Y395-I490 HydrophobicContact CE2-CG2 4.25Å; L398-I490 HydrophobicContact CB-CD1 4.12Å; R399-I490 VanDerWaalsContact CD-CG2 3.45Å; W480-I490 HydrophobicContact CZ3-CD1 4.28Å; W480-I490 HydrophobicContact CZ3-CG1 4.12Å; P486-I490 VanDerWaalsContact O-CG1 3.23Å; P486-I490 WeakPolarHBondContact O-CG1 3.46Å; P486-I490 PolarHBondContact O-N 3.41Å; K488-I490 PolarHBondContact O-N 2.8Å; I490-E492 VanDerWaalsContact C-N 3.3Å; I490-E492 PolarHBondContact O-N 3.23Å; I490-V493 WeakPolarHBondContact O-CB 3.49Å; I490-V493 PolarHBondContact O-N 2.81Å; I490-V493 VanDerWaalsContact O-N 3.11Å; I490-L494 HydrophobicContact CG2-CD1 4.3Å; I490-L494 HydrophobicContact CG2-CG 4.36Å; I490-L494 WeakPolarHBondContact O-CG 3.43Å; I490-L494 PolarHBondContact O-N 3.25Å; I490-L536 HydrophobicContact CG2-CD2 4.06Å; I490-V539 HydrophobicContact CD1-CB 4.48Å; I490-V539 HydrophobicContact CD1-CG1 3.79Å; I490-V539 HydrophobicContact CD1-CG2 3.81Å; I490-V539 HydrophobicContact CG1-CG1 4.45Å; I490-V539 HydrophobicContact CG1-CG2 3.86Å
491	E	98.3	Very high	97.2	Very high	61 Å²	61	31 Å²	31	29%	0.285	14%	0.139	S	C	.	.	H	α-helix	trans	-60.4	-36.7	176.2	-170.1	59.2	-134.4	0	0	112.7	R399 H487 K488 V493 L494 G495 R498	R399-E491 IonicContact CZ-OE2 3.58Å; R399-E491 IonicContact NH1-OE2 3.94Å; R399-E491 PolarHBondContact NH1-OE2 3.39Å; R399-E491 IonicContact NH2-OE2 2.76Å; R399-E491 PolarHBondContact NH2-OE2 3.43Å; H487-E491 PolarHBondContact O-N 3.11Å; H487-E491 VanDerWaalsContact O-N 3.12Å; K488-E491 WeakPolarHBondContact O-CA 3.47Å; K488-E491 VanDerWaalsContact O-CB 3.31Å; K488-E491 WeakPolarHBondContact O-CB 3.29Å; K488-E491 PolarHBondContact O-N 3.4Å; E491-V493 VanDerWaalsContact C-N 3.33Å; E491-V493 PolarHBondContact O-N 2.72Å; E491-L494 CarbonylContact O-C 3.59Å; E491-L494 PolarHBondContact O-N 3.01Å; E491-G495 PolarHBondContact O-N 2.93Å; E491-R498 IonicContact OE1-CZ 2.8Å; E491-R498 VanDerWaalsContact OE1-CZ 3.25Å; E491-R498 IonicContact OE1-NH1 2.84Å; E491-R498 PolarHBondContact OE1-NH1 3.2Å; E491-R498 IonicContact OE1-NH2 2.65Å; E491-R498 PolarHBondContact OE1-NH2 2.94Å
492	E	98.3	Very high	97.5	Very high	78 Å²	78	34.8 Å²	34.8	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-59.1	-43.5	172.3	-68.6	-63.7	137.5	0	0	111.7	L479 K488 A489 I490 L494 G495 I496	L479-E492 HydrophobicContact CD1-CG 3.42Å; L479-E492 VanDerWaalsContact CD1-CG 3.42Å; K488-E492 PolarHBondContact O-N 3.3Å; A489-E492 WeakPolarHBondContact O-CB 3.44Å; A489-E492 PolarHBondContact O-N 3Å; I490-E492 VanDerWaalsContact C-N 3.3Å; I490-E492 PolarHBondContact O-N 3.23Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 2.97Å; E492-G495 WeakPolarHBondContact O-CA 3.38Å; E492-G495 PolarHBondContact O-N 3.23Å; E492-G495 VanDerWaalsContact O-N 3.17Å; E492-I496 PolarHBondContact O-N 3.24Å; E492-I496 VanDerWaalsContact O-N 3.12Å
493	V	98.7	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-41.6	176.5	-170.8	0	0	0	0	111.2	I472 F476 A489 I490 E491 G495 I496 I497 C532 L535 L536	I472-V493 HydrophobicContact CD1-CB 4.34Å; I472-V493 HydrophobicContact CD1-CG1 4.48Å; I472-V493 HydrophobicContact CD1-CG2 4.13Å; F476-V493 HydrophobicContact CD2-CG2 3.59Å; F476-V493 HydrophobicContact CE2-CG2 3.65Å; A489-V493 PolarHBondContact O-N 2.98Å; I490-V493 WeakPolarHBondContact O-CB 3.49Å; I490-V493 PolarHBondContact O-N 2.81Å; I490-V493 VanDerWaalsContact O-N 3.11Å; E491-V493 VanDerWaalsContact C-N 3.33Å; E491-V493 PolarHBondContact O-N 2.72Å; V493-G495 VanDerWaalsContact C-N 3.26Å; V493-G495 PolarHBondContact O-N 3.32Å; V493-I496 PolarHBondContact O-N 3.43Å; V493-I497 HydrophobicContact CG1-CD1 4.19Å; V493-I497 WeakPolarHBondContact O-CG1 3.45Å; V493-I497 PolarHBondContact O-N 3.3Å; V493-C532 HydrophobicContact CG1-CB 3.57Å; V493-L535 HydrophobicContact CG2-CB 3.86Å; V493-L535 HydrophobicContact CG2-CD1 4.27Å; V493-L536 HydrophobicContact CB-CD2 4.37Å; V493-L536 HydrophobicContact CB-CG 4.41Å; V493-L536 HydrophobicContact CG1-CD1 3.93Å; V493-L536 HydrophobicContact CG1-CD2 4.31Å; V493-L536 HydrophobicContact CG1-CG 3.84Å
494	L	98.6	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-33	175.1	-62.8	176.5	0	0	0	111.7	E421 W425 I490 E491 E492 I497 R498	E421-L494 HydrophobicContact CB-CD1 4.49Å; E421-L494 HydrophobicContact CB-CD2 4.16Å; E421-L494 HydrophobicContact CG-CD1 4.19Å; W425-L494 HydrophobicContact CE3-CD2 4.31Å; W425-L494 HydrophobicContact CZ3-CB 4.28Å; W425-L494 HydrophobicContact CZ3-CD1 4.42Å; I490-L494 HydrophobicContact CG2-CD1 4.3Å; I490-L494 HydrophobicContact CG2-CG 4.36Å; I490-L494 WeakPolarHBondContact O-CG 3.43Å; I490-L494 PolarHBondContact O-N 3.25Å; E491-L494 CarbonylContact O-C 3.59Å; E491-L494 PolarHBondContact O-N 3.01Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 2.97Å; L494-I497 HydrophobicContact CD2-CD1 4.01Å; L494-I497 PolarHBondContact O-N 3.06Å; L494-R498 WeakPolarHBondContact O-CG 3.31Å; L494-R498 PolarHBondContact O-N 3.08Å
495	G	98.5	Very high	98	Very high	14 Å²	14	29.9 Å²	29.9	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-51.5	170.8	0	0	0	0	0	112.2	E491 E492 V493 I497 R498 Q499	E491-G495 PolarHBondContact O-N 2.93Å; E492-G495 WeakPolarHBondContact O-CA 3.38Å; E492-G495 PolarHBondContact O-N 3.23Å; E492-G495 VanDerWaalsContact O-N 3.17Å; V493-G495 VanDerWaalsContact C-N 3.26Å; V493-G495 PolarHBondContact O-N 3.32Å; G495-I497 VanDerWaalsContact C-N 3.32Å; G495-I497 PolarHBondContact O-N 3.23Å; G495-R498 PolarHBondContact O-N 2.86Å; G495-R498 VanDerWaalsContact O-N 3.15Å; G495-Q499 WeakPolarHBondContact O-CG 3.49Å; G495-Q499 PolarHBondContact O-N 3.45Å
496	I	98.6	Very high	98	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-40.3	174.6	-69.8	-55.7	0	0	0	111.8	F465 N468 L469 I472 E492 V493 R498 Q499 T500 C532	F465-I496 HydrophobicContact CD2-CD1 4.39Å; F465-I496 HydrophobicContact CE2-CD1 4.49Å; F465-I496 HydrophobicContact CE2-CG2 4.18Å; N468-I496 HydrophobicContact CB-CD1 3.59Å; L469-I496 HydrophobicContact CB-CD1 4.39Å; L469-I496 HydrophobicContact CD1-CG2 3.86Å; I472-I496 HydrophobicContact CB-CG1 4.35Å; I472-I496 HydrophobicContact CD1-CB 4.01Å; I472-I496 HydrophobicContact CD1-CG1 3.43Å; I472-I496 VanDerWaalsContact CD1-CG1 3.43Å; I472-I496 HydrophobicContact CG1-CG1 4.23Å; E492-I496 PolarHBondContact O-N 3.24Å; E492-I496 VanDerWaalsContact O-N 3.12Å; V493-I496 PolarHBondContact O-N 3.43Å; I496-R498 VanDerWaalsContact C-N 3.31Å; I496-R498 PolarHBondContact O-N 3.19Å; I496-Q499 PolarHBondContact O-N 3Å; I496-T500 WeakPolarHBondContact O-CB 3.4Å; I496-T500 PolarHBondContact O-N 3.43Å; I496-T500 PolarHBondContact O-OG1 3.33Å; I496-C532 VanDerWaalsContact CG2-SG 3.51Å
497	I	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-39.2	176.8	-67.9	158.3	0	0	0	111.1	W425 I426 V493 L494 G495 T500 N501 C532 L536	W425-I497 HydrophobicContact CB-CG2 3.74Å; I426-I497 HydrophobicContact CD1-CD1 3.65Å; I426-I497 HydrophobicContact CG1-CD1 3.52Å; I426-I497 HydrophobicContact CG1-CG1 4.29Å; I426-I497 HydrophobicContact CG1-CG2 4.14Å; V493-I497 HydrophobicContact CG1-CD1 4.19Å; V493-I497 WeakPolarHBondContact O-CG1 3.45Å; V493-I497 PolarHBondContact O-N 3.3Å; L494-I497 HydrophobicContact CD2-CD1 4.01Å; L494-I497 PolarHBondContact O-N 3.06Å; G495-I497 VanDerWaalsContact C-N 3.32Å; G495-I497 PolarHBondContact O-N 3.23Å; I497-T500 PolarHBondContact O-N 3.36Å; I497-N501 PolarHBondContact O-N 3.11Å; I497-N501 PolarHBondContact O-ND2 3.25Å; I497-C532 HydrophobicContact CD1-CB 4.29Å; I497-C532 HydrophobicContact CG1-CB 4.16Å; I497-L536 HydrophobicContact CD1-CD1 4.26Å
498	R	98.4	Very high	98	Very high	79 Å²	79	35.4 Å²	35.4	30%	0.298	17%	0.17	S	C	.	.	H	α-helix	trans	-66.4	-48.2	175.6	-71.7	-176.6	-62.5	-100.6	5.5	111.6	W425 E491 L494 G495 I496 T500 N501 E502	W425-R498 HydrophobicContact CD2-CG 4.39Å; W425-R498 HydrophobicContact CE3-CG 4.3Å; W425-R498 HydrophobicContact CZ3-CG 4.37Å; E491-R498 IonicContact OE1-CZ 2.8Å; E491-R498 VanDerWaalsContact OE1-CZ 3.25Å; E491-R498 IonicContact OE1-NH1 2.84Å; E491-R498 PolarHBondContact OE1-NH1 3.2Å; E491-R498 IonicContact OE1-NH2 2.65Å; E491-R498 PolarHBondContact OE1-NH2 2.94Å; L494-R498 WeakPolarHBondContact O-CG 3.31Å; L494-R498 PolarHBondContact O-N 3.08Å; G495-R498 PolarHBondContact O-N 2.86Å; G495-R498 VanDerWaalsContact O-N 3.15Å; I496-R498 VanDerWaalsContact C-N 3.31Å; I496-R498 PolarHBondContact O-N 3.19Å; R498-T500 PolarHBondContact O-N 2.84Å; R498-N501 WeakPolarHBondContact O-CB 3.32Å; R498-N501 PolarHBondContact O-N 3.38Å; R498-E502 PolarHBondContact O-N 3.48Å
499	Q	98.6	Very high	97.9	Very high	45 Å²	45	31 Å²	31	21%	0.21	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-37.8	174.9	-68.5	175.1	13.8	0	0	111.6	F465 N468 G495 I496 E502 F503	F465-Q499 HydrophobicContact CB-CB 4.38Å; F465-Q499 HydrophobicContact CD2-CB 3.53Å; F465-Q499 HydrophobicContact CE2-CB 4.02Å; F465-Q499 HydrophobicContact CG-CB 4.12Å; N468-Q499 PolarHBondContact ND2-NE2 2.77Å; N468-Q499 PolarHBondContact ND2-OE1 2.8Å; G495-Q499 WeakPolarHBondContact O-CG 3.49Å; G495-Q499 PolarHBondContact O-N 3.45Å; I496-Q499 PolarHBondContact O-N 3Å; Q499-E502 PolarHBondContact O-N 3.16Å; Q499-F503 WeakPolarHBondContact O-CB 3.49Å; Q499-F503 PolarHBondContact O-N 3.25Å
500	T	98.6	Very high	97.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-38.4	175.6	-50.1	0	0	0	0	112.2	L429 F465 I496 I497 R498 F503 I504 V525 S528	L429-T500 HydrophobicContact CD1-CG2 4.49Å; L429-T500 HydrophobicContact CD2-CG2 3.66Å; F465-T500 WeakPolarHBondContact CE2-OG1 3.21Å; F465-T500 HydrophobicContact CZ-CG2 4.3Å; F465-T500 WeakPolarHBondContact CZ-OG1 3.4Å; I496-T500 WeakPolarHBondContact O-CB 3.4Å; I496-T500 PolarHBondContact O-N 3.43Å; I496-T500 PolarHBondContact O-OG1 3.33Å; I497-T500 PolarHBondContact O-N 3.36Å; R498-T500 PolarHBondContact O-N 2.84Å; T500-F503 PolarHBondContact O-N 2.83Å; T500-I504 PolarHBondContact O-N 3.11Å; T500-V525 HydrophobicContact CG2-CB 4.1Å; T500-V525 HydrophobicContact CG2-CG1 3.78Å; T500-V525 HydrophobicContact CG2-CG2 3.96Å; T500-S528 WeakPolarHBondContact OG1-CB 3.49Å
501	N	98.4	Very high	97.6	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.144	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-36	174.6	-86.9	-80.9	0	0	0	112	W425 I497 R498 I504 T505	W425-N501 PolarHBondContact O-ND2 3.49Å; W425-N501 VanDerWaalsContact O-ND2 3.11Å; I497-N501 PolarHBondContact O-N 3.11Å; I497-N501 PolarHBondContact O-ND2 3.25Å; R498-N501 WeakPolarHBondContact O-CB 3.32Å; R498-N501 PolarHBondContact O-N 3.38Å; N501-I504 WeakPolarHBondContact O-CG2 3.23Å; N501-T505 WeakPolarHBondContact O-CB 3.45Å; N501-T505 PolarHBondContact O-N 3.23Å; N501-T505 PolarHBondContact O-OG1 2.92Å
502	E	98	Very high	97.4	Very high	118 Å²	118	41.4 Å²	41.4	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-67.9	-45.9	173.5	-70.7	170.3	-172.1	0	0	110.8	R498 Q499 I504 T505 R506	R498-E502 PolarHBondContact O-N 3.48Å; Q499-E502 PolarHBondContact O-N 3.16Å; E502-I504 PolarHBondContact O-N 3.32Å; E502-T505 PolarHBondContact O-N 2.97Å; E502-T505 VanDerWaalsContact O-N 3.13Å; E502-R506 WeakPolarHBondContact O-CB 3.47Å; E502-R506 PolarHBondContact O-N 3.43Å
503	F	98.3	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.6	-55	175.9	176	-91.9	0	0	0	112.1	F456 D462 F465 F466 Q499 T500 T505 R506 H507 I521 V524 V525	F456-F503 HydrophobicContact CD1-CE2 4.27Å; F456-F503 HydrophobicContact CD1-CZ 4.32Å; F456-F503 HydrophobicContact CD2-CZ 4.44Å; F456-F503 HydrophobicContact CE1-CE2 4.33Å; F456-F503 AromaticContact CE1-CZ 3.94Å; F456-F503 HydrophobicContact CE1-CZ 3.94Å; F456-F503 HydrophobicContact CE2-CZ 4.07Å; F456-F503 HydrophobicContact CG-CE2 4.4Å; F456-F503 AromaticContact CZ-CZ 3.81Å; F456-F503 HydrophobicContact CZ-CZ 3.81Å; D462-F503 WeakPolarHBondContact OD1-CD2 3.37Å; F465-F503 HydrophobicContact CD1-CB 4.23Å; F465-F503 HydrophobicContact CD1-CD2 4.01Å; F465-F503 HydrophobicContact CD1-CG 4.26Å; F465-F503 HydrophobicContact CE1-CB 4.03Å; F465-F503 HydrophobicContact CE1-CD2 4.08Å; F465-F503 AromaticContact CE1-CG 3.97Å; F465-F503 HydrophobicContact CE1-CG 3.97Å; F466-F503 HydrophobicContact CE1-CE2 4.26Å; F466-F503 AromaticContact CZ-CE2 3.91Å; F466-F503 HydrophobicContact CZ-CE2 3.91Å; Q499-F503 WeakPolarHBondContact O-CB 3.49Å; Q499-F503 PolarHBondContact O-N 3.25Å; T500-F503 PolarHBondContact O-N 2.83Å; F503-T505 PolarHBondContact O-N 3.11Å; F503-R506 PolarHBondContact O-N 3.09Å; F503-H507 AromaticContact CD2-CD2 3.59Å; F503-H507 AromaticContact CD2-NE2 3.84Å; F503-H507 AromaticContact CE2-CD2 3.34Å; F503-H507 WeakPolarHBondContact CE2-CD2 3.26Å; F503-H507 AromaticContact CE2-NE2 3.44Å; F503-H507 WeakPolarHBondContact CE2-NE2 3.19Å; F503-H507 AromaticContact CZ-CD2 3.65Å; F503-H507 PolarHBondContact O-CD2 2.88Å; F503-H507 PolarHBondContact O-N 3.48Å; F503-I521 HydrophobicContact CD1-CG2 4.48Å; F503-I521 HydrophobicContact CE1-CB 4.32Å; F503-I521 HydrophobicContact CE1-CG2 3.81Å; F503-V524 HydrophobicContact CD1-CG1 4.08Å; F503-V524 HydrophobicContact CE1-CB 3.84Å; F503-V524 HydrophobicContact CE1-CG1 3.64Å; F503-V524 HydrophobicContact CE2-CG1 4.26Å; F503-V524 HydrophobicContact CZ-CB 3.99Å; F503-V524 HydrophobicContact CZ-CG1 3.77Å; F503-V524 HydrophobicContact CZ-CG2 4.2Å; F503-V525 HydrophobicContact CD1-CG2 3.92Å; F503-V525 HydrophobicContact CE1-CG2 4.23Å
504	I	97.3	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-30.5	-179.2	-162.7	177.5	0	0	0	111.8	L429 R432 I433 T500 N501 E502 S508 P509 W510 V525	L429-I504 HydrophobicContact CD1-CD1 4.19Å; L429-I504 HydrophobicContact CD1-CG2 3.85Å; R432-I504 HydrophobicContact CB-CD1 4.23Å; I433-I504 HydrophobicContact CG2-CD1 3.87Å; T500-I504 PolarHBondContact O-N 3.11Å; N501-I504 WeakPolarHBondContact O-CG2 3.23Å; E502-I504 PolarHBondContact O-N 3.32Å; I504-S508 PolarHBondContact O-N 3.34Å; I504-P509 HydrophobicContact CD1-CG 4.33Å; I504-P509 HydrophobicContact CG1-CG 3.78Å; I504-P509 WeakPolarHBondContact O-CD 3.35Å; I504-W510 HydrophobicContact CG1-CZ3 4.17Å; I504-W510 WeakPolarHBondContact O-CH2 3.37Å; I504-V525 HydrophobicContact CB-CG2 3.99Å; I504-V525 HydrophobicContact CD1-CG2 4.25Å; I504-V525 HydrophobicContact CG1-CG2 4.23Å
505	T	96.8	Very high	96.7	Very high	72 Å²	72	58.2 Å²	58.2	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-72.5	-45.8	177.6	-58.4	0	0	0	0	111.1	N501 E502 F503 H507 S508	N501-T505 WeakPolarHBondContact O-CB 3.45Å; N501-T505 PolarHBondContact O-N 3.23Å; N501-T505 PolarHBondContact O-OG1 2.92Å; E502-T505 PolarHBondContact O-N 2.97Å; E502-T505 VanDerWaalsContact O-N 3.13Å; F503-T505 PolarHBondContact O-N 3.11Å; T505-H507 PolarHBondContact O-N 3.15Å; T505-S508 PolarHBondContact O-N 3.25Å; T505-S508 PolarHBondContact O-OG 3.03Å
506	R	96.2	Very high	96.5	Very high	93 Å²	93	61.5 Å²	61.5	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-45.4	179.5	-159.9	-175.3	-39.3	98.6	-5.5	111.8	D459 D462 E502 F503	D459-R506 WeakPolarHBondContact OD2-CD 3.41Å; D459-R506 IonicContact OD2-NE 3.13Å; D462-R506 IonicContact OD1-CZ 3.74Å; D462-R506 IonicContact OD1-NH1 3.7Å; D462-R506 PolarHBondContact OD1-NH1 3.26Å; D462-R506 IonicContact OD1-NH2 3.56Å; D462-R506 IonicContact OD2-NH1 3.9Å; E502-R506 WeakPolarHBondContact O-CB 3.47Å; E502-R506 PolarHBondContact O-N 3.43Å; F503-R506 PolarHBondContact O-N 3.09Å
507	H	96.7	Very high	96.4	Very high	26 Å²	26	64.4 Å²	64.4	12%	0.12	30%	0.296	C	S	.	.	H	α-helix	trans	-83.1	-13.1	-179.5	-70.4	-69.9	0	0	0	114.2	F456 D462 F503 T505 R517 I521	F456-H507 AromaticContact CD1-CE1 3.55Å; F456-H507 AromaticContact CD1-NE2 3.74Å; F456-H507 AromaticContact CE1-CE1 3.83Å; F456-H507 AromaticContact CE1-ND1 3.99Å; D462-H507 IonicContact OD1-NE2 2.58Å; D462-H507 IonicContact OD2-CD2 3.48Å; D462-H507 IonicContact OD2-CE1 3.63Å; D462-H507 PolarHBondContact OD2-CE1 3.01Å; D462-H507 VanDerWaalsContact OD2-CE1 3.31Å; D462-H507 IonicContact OD2-NE2 3.31Å; D462-H507 PolarHBondContact OD2-NE2 2.86Å; F503-H507 AromaticContact CD2-CD2 3.59Å; F503-H507 AromaticContact CD2-NE2 3.84Å; F503-H507 AromaticContact CE2-CD2 3.34Å; F503-H507 WeakPolarHBondContact CE2-CD2 3.26Å; F503-H507 AromaticContact CE2-NE2 3.44Å; F503-H507 WeakPolarHBondContact CE2-NE2 3.19Å; F503-H507 AromaticContact CZ-CD2 3.65Å; F503-H507 PolarHBondContact O-CD2 2.88Å; F503-H507 PolarHBondContact O-N 3.48Å; T505-H507 PolarHBondContact O-N 3.15Å; H507-R517 PolarHBondContact ND1-NH2 3.26Å; H507-I521 HydrophobicContact CB-CD1 3.63Å; H507-I521 HydrophobicContact CB-CG1 3.89Å; H507-I521 HydrophobicContact CB-CG2 4.29Å
508	S	96.3	Very high	96.3	Very high	30 Å²	30	67.4 Å²	67.4	21%	0.21	31%	0.307	C	S	.	.			trans	40.1	62.4	171.7	-74.1	0	0	0	0	113.9	I504 T505 W510 T511 E512	I504-S508 PolarHBondContact O-N 3.34Å; T505-S508 PolarHBondContact O-N 3.25Å; T505-S508 PolarHBondContact O-OG 3.03Å; S508-W510 PolarHBondContact O-N 3.34Å; S508-W510 VanDerWaalsContact OG-CZ2 3.31Å; S508-W510 WeakPolarHBondContact OG-CZ2 3.48Å; S508-T511 WeakPolarHBondContact CB-OG1 3.48Å; S508-T511 PolarHBondContact O-N 2.92Å; S508-T511 PolarHBondContact O-OG1 2.88Å; S508-E512 PolarHBondContact O-N 3.41Å
509	P	96.2	Very high	96.1	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.7	-171.7	27.7	-37.8	0	0	0	114	L438 I504 T511 E512 R518 I521	L438-P509 VanDerWaalsContact CD1-C 3.43Å; L438-P509 HydrophobicContact CD1-CB 3.94Å; L438-P509 HydrophobicContact CD1-CG 4.13Å; L438-P509 WeakPolarHBondContact CD1-O 3.37Å; L438-P509 HydrophobicContact CD2-CG 4.1Å; I504-P509 HydrophobicContact CD1-CG 4.33Å; I504-P509 HydrophobicContact CG1-CG 3.78Å; I504-P509 WeakPolarHBondContact O-CD 3.35Å; P509-T511 VanDerWaalsContact C-N 3.3Å; P509-E512 PolarHBondContact O-N 3.09Å; P509-R518 HydrophobicContact CB-CG 4.15Å; P509-R518 WeakPolarHBondContact O-CD 3.17Å; P509-I521 HydrophobicContact CB-CB 4.26Å; P509-I521 HydrophobicContact CB-CD1 4.08Å; P509-I521 HydrophobicContact CB-CG2 3.86Å; P509-I521 HydrophobicContact CG-CG2 3.81Å
510	W	94.5	Very high	96.1	Very high	133 Å²	133	64.8 Å²	64.8	50%	0.504	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.7	172	50.1	84.1	0	0	0	113.8	L438 I504 S508	L438-W510 HydrophobicContact CD1-CB 4.17Å; I504-W510 HydrophobicContact CG1-CZ3 4.17Å; I504-W510 WeakPolarHBondContact O-CH2 3.37Å; S508-W510 PolarHBondContact O-N 3.34Å; S508-W510 VanDerWaalsContact OG-CZ2 3.31Å; S508-W510 WeakPolarHBondContact OG-CZ2 3.48Å
511	T	94.8	Very high	96	Very high	100 Å²	100	64.8 Å²	64.8	61%	0.613	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.4	171.9	52.7	0	0	0	0	113.6	S508 P509 R513	S508-T511 WeakPolarHBondContact CB-OG1 3.48Å; S508-T511 PolarHBondContact O-N 2.92Å; S508-T511 PolarHBondContact O-OG1 2.88Å; P509-T511 VanDerWaalsContact C-N 3.3Å; T511-R513 PolarHBondContact O-N 3.4Å
512	E	94.5	Very high	96	Very high	47 Å²	47	63.7 Å²	63.7	22%	0.22	29%	0.292	C	S	.	.			trans	-70.5	126.7	-178.3	-177.4	52.8	-96.2	0	0	111.3	S508 P509 E514 R517 R518	S508-E512 PolarHBondContact O-N 3.41Å; P509-E512 PolarHBondContact O-N 3.09Å; E512-E514 PolarHBondContact OE1-N 3.01Å; E512-R517 HydrophobicContact CG-CB 4.19Å; E512-R517 HydrophobicContact CG-CG 4.31Å; E512-R517 VanDerWaalsContact OE2-CD 3.27Å; E512-R517 WeakPolarHBondContact OE2-CD 3.12Å; E512-R517 IonicContact OE2-NE 3.15Å; E512-R518 HydrophobicContact CB-CB 4.26Å; E512-R518 HydrophobicContact CG-CB 3.97Å
513	R	92.9	Very high	95.9	Very high	239 Å²	239	58.3 Å²	58.3	90%	0.902	27%	0.267	S	S	*	.			trans	-93.3	-29	-178.3	-63.9	-176.2	-178.8	-178.2	0.8	112	T511 L515	T511-R513 PolarHBondContact O-N 3.4Å; R513-L515 PolarHBondContact O-N 2.91Å
514	E	95.2	Very high	95.8	Very high	98 Å²	98	58.3 Å²	58.3	46%	0.458	27%	0.267	S	S	.	.			trans	-76.7	113.6	177.8	-172	-173.4	166.2	0	0	110.3	E512 L516 R517 R518	E512-E514 PolarHBondContact OE1-N 3.01Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 3.12Å; E514-R517 HydrophobicContact CB-CB 3.97Å; E514-R517 HydrophobicContact CG-CB 4.11Å; E514-R517 PolarHBondContact O-N 3.17Å; E514-R518 WeakPolarHBondContact O-CB 3.42Å; E514-R518 PolarHBondContact O-N 3.01Å
515	L	93.6	Very high	95.9	Very high	94 Å²	94	58.3 Å²	58.3	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-56.4	-45.8	-176.5	177.8	63.5	0	0	0	112.3	R513 R518 Q519	R513-L515 PolarHBondContact O-N 2.91Å; L515-R518 PolarHBondContact O-N 2.68Å; L515-Q519 HydrophobicContact CD1-CG 4.36Å; L515-Q519 WeakPolarHBondContact O-CG 3.24Å; L515-Q519 PolarHBondContact O-N 3.34Å
516	L	94.5	Very high	95.8	Very high	83 Å²	83	54.9 Å²	54.9	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-48.7	-177.5	-174.3	63.9	0	0	0	111.1	I445 M455 E514 R518 Q519 F520	I445-L516 HydrophobicContact CD1-CD1 4.42Å; M455-L516 HydrophobicContact CE-CD2 4.39Å; M455-L516 HydrophobicContact CE-CG 4.3Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 3.12Å; L516-R518 VanDerWaalsContact C-N 3.33Å; L516-R518 PolarHBondContact O-N 3.14Å; L516-Q519 WeakPolarHBondContact O-CB 3.44Å; L516-Q519 PolarHBondContact O-N 2.81Å; L516-Q519 VanDerWaalsContact O-N 3.12Å; L516-F520 HydrophobicContact CD1-CD2 3.93Å; L516-F520 HydrophobicContact CD1-CE2 3.56Å; L516-F520 HydrophobicContact CG-CD2 4.07Å; L516-F520 HydrophobicContact CG-CE2 3.93Å; L516-F520 VanDerWaalsContact O-CD2 3.29Å; L516-F520 WeakPolarHBondContact O-CD2 3.19Å; L516-F520 PolarHBondContact O-N 3.41Å
517	R	95.7	Very high	95.8	Very high	66 Å²	66	50.8 Å²	50.8	25%	0.249	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-44.7	176.8	-171.6	168.8	179.9	89.3	6.8	111.8	M455 H507 E512 E514 Q519 F520 I521	M455-R517 PolarHBondContact O-NH1 3.49Å; M455-R517 HydrophobicContact SD-CB 4.27Å; M455-R517 HydrophobicContact SD-CG 4.08Å; H507-R517 PolarHBondContact ND1-NH2 3.26Å; E512-R517 HydrophobicContact CG-CB 4.19Å; E512-R517 HydrophobicContact CG-CG 4.31Å; E512-R517 VanDerWaalsContact OE2-CD 3.27Å; E512-R517 WeakPolarHBondContact OE2-CD 3.12Å; E512-R517 IonicContact OE2-NE 3.15Å; E514-R517 HydrophobicContact CB-CB 3.97Å; E514-R517 HydrophobicContact CG-CB 4.11Å; E514-R517 PolarHBondContact O-N 3.17Å; R517-Q519 PolarHBondContact O-N 3.36Å; R517-F520 WeakPolarHBondContact O-CB 3.47Å; R517-F520 PolarHBondContact O-N 3.15Å; R517-I521 HydrophobicContact CG-CD1 4.3Å; R517-I521 WeakPolarHBondContact O-CD1 3.2Å; R517-I521 VanDerWaalsContact O-CG1 3.3Å; R517-I521 WeakPolarHBondContact O-CG1 3.38Å; R517-I521 PolarHBondContact O-N 2.94Å
518	R	96.3	Very high	95.9	Very high	64 Å²	64	49.6 Å²	49.6	24%	0.242	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-45.4	173.7	-173.6	176.3	65.3	-167.4	4.1	112.2	P509 E512 E514 L515 L516 I521 L522	P509-R518 HydrophobicContact CB-CG 4.15Å; P509-R518 WeakPolarHBondContact O-CD 3.17Å; E512-R518 HydrophobicContact CB-CB 4.26Å; E512-R518 HydrophobicContact CG-CB 3.97Å; E514-R518 WeakPolarHBondContact O-CB 3.42Å; E514-R518 PolarHBondContact O-N 3.01Å; L515-R518 PolarHBondContact O-N 2.68Å; L516-R518 VanDerWaalsContact C-N 3.33Å; L516-R518 PolarHBondContact O-N 3.14Å; R518-I521 PolarHBondContact O-N 3.44Å; R518-L522 WeakPolarHBondContact O-CG 3.47Å; R518-L522 PolarHBondContact O-N 3.01Å; R518-L522 VanDerWaalsContact O-N 3.13Å
519	Q	95.7	Very high	95.9	Very high	53 Å²	53	48.2 Å²	48.2	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-37.8	177.5	-73.8	174.6	-30	0	0	112.3	I445 L515 L516 R517 L522 S523	I445-Q519 HydrophobicContact CD1-CB 3.67Å; I445-Q519 HydrophobicContact CG1-CB 4.02Å; I445-Q519 HydrophobicContact CG2-CB 4.48Å; L515-Q519 HydrophobicContact CD1-CG 4.36Å; L515-Q519 WeakPolarHBondContact O-CG 3.24Å; L515-Q519 PolarHBondContact O-N 3.34Å; L516-Q519 WeakPolarHBondContact O-CB 3.44Å; L516-Q519 PolarHBondContact O-N 2.81Å; L516-Q519 VanDerWaalsContact O-N 3.12Å; R517-Q519 PolarHBondContact O-N 3.36Å; Q519-L522 PolarHBondContact O-N 2.87Å; Q519-S523 WeakPolarHBondContact O-CB 3.28Å; Q519-S523 PolarHBondContact O-N 2.83Å; Q519-S523 PolarHBondContact O-OG 3.39Å
520	F	97	Very high	95.8	Very high	16 Å²	16	48.2 Å²	48.2	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-45.3	174.9	-90.6	-124	0	0	0	111.7	I445 I447 Q451 M455 F456 L516 R517 L522 S523 V524	I445-F520 HydrophobicContact CD1-CD2 3.57Å; I445-F520 HydrophobicContact CD1-CE2 3.62Å; I447-F520 HydrophobicContact CD1-CD1 4.33Å; I447-F520 HydrophobicContact CG2-CD1 4.38Å; I447-F520 HydrophobicContact CG2-CD2 4.19Å; I447-F520 HydrophobicContact CG2-CE1 4.13Å; I447-F520 HydrophobicContact CG2-CE2 3.87Å; I447-F520 HydrophobicContact CG2-CG 4.42Å; I447-F520 HydrophobicContact CG2-CZ 3.85Å; Q451-F520 HydrophobicContact CB-CE1 3.84Å; Q451-F520 HydrophobicContact CB-CZ 4.14Å; Q451-F520 WeakPolarHBondContact O-CE1 3.45Å; M455-F520 HydrophobicContact CB-CD1 3.65Å; M455-F520 HydrophobicContact CB-CE1 4.04Å; M455-F520 HydrophobicContact CE-CB 4.42Å; M455-F520 HydrophobicContact CE-CD1 3.76Å; M455-F520 HydrophobicContact CE-CD2 4.13Å; M455-F520 HydrophobicContact CE-CE1 3.96Å; M455-F520 HydrophobicContact CE-CE2 4.37Å; M455-F520 HydrophobicContact CE-CG 3.85Å; M455-F520 HydrophobicContact CE-CZ 4.28Å; M455-F520 HydrophobicContact CG-CB 4.11Å; M455-F520 HydrophobicContact CG-CD1 3.68Å; M455-F520 HydrophobicContact CG-CE1 4.43Å; M455-F520 HydrophobicContact CG-CG 4.14Å; F456-F520 HydrophobicContact CE2-CB 4.06Å; F456-F520 HydrophobicContact CE2-CD1 4.42Å; F456-F520 HydrophobicContact CZ-CB 3.98Å; L516-F520 HydrophobicContact CD1-CD2 3.93Å; L516-F520 HydrophobicContact CD1-CE2 3.56Å; L516-F520 HydrophobicContact CG-CD2 4.07Å; L516-F520 HydrophobicContact CG-CE2 3.93Å; L516-F520 VanDerWaalsContact O-CD2 3.29Å; L516-F520 WeakPolarHBondContact O-CD2 3.19Å; L516-F520 PolarHBondContact O-N 3.41Å; R517-F520 WeakPolarHBondContact O-CB 3.47Å; R517-F520 PolarHBondContact O-N 3.15Å; F520-L522 VanDerWaalsContact C-N 3.33Å; F520-L522 PolarHBondContact O-N 3.41Å; F520-S523 PolarHBondContact O-N 3.36Å; F520-S523 VanDerWaalsContact O-N 3.12Å; F520-V524 WeakPolarHBondContact O-CG2 3.41Å; F520-V524 PolarHBondContact O-N 2.95Å
521	I	97.7	Very high	95.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-48	176.4	-64.2	158	0	0	0	110.3	F456 F503 H507 P509 R517 R518 S523 V524 V525	F456-I521 HydrophobicContact CE1-CG1 3.99Å; F456-I521 HydrophobicContact CZ-CG1 3.84Å; F503-I521 HydrophobicContact CD1-CG2 4.48Å; F503-I521 HydrophobicContact CE1-CB 4.32Å; F503-I521 HydrophobicContact CE1-CG2 3.81Å; H507-I521 HydrophobicContact CB-CD1 3.63Å; H507-I521 HydrophobicContact CB-CG1 3.89Å; H507-I521 HydrophobicContact CB-CG2 4.29Å; P509-I521 HydrophobicContact CB-CB 4.26Å; P509-I521 HydrophobicContact CB-CD1 4.08Å; P509-I521 HydrophobicContact CB-CG2 3.86Å; P509-I521 HydrophobicContact CG-CG2 3.81Å; R517-I521 HydrophobicContact CG-CD1 4.3Å; R517-I521 WeakPolarHBondContact O-CD1 3.2Å; R517-I521 VanDerWaalsContact O-CG1 3.3Å; R517-I521 WeakPolarHBondContact O-CG1 3.38Å; R517-I521 PolarHBondContact O-N 2.94Å; R518-I521 PolarHBondContact O-N 3.44Å; I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.76Å; I521-V524 PolarHBondContact O-N 2.84Å; I521-V525 WeakPolarHBondContact O-CG2 3.48Å; I521-V525 PolarHBondContact O-N 3.44Å; I521-V525 VanDerWaalsContact O-N 3.1Å
522	L	97.1	Very high	96	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-36.6	177.8	-67.2	175.9	0	0	0	112.5	I433 L438 N439 I444 R518 Q519 F520 S526	I433-L522 HydrophobicContact CB-CD2 4.02Å; I433-L522 HydrophobicContact CG2-CD2 3.87Å; L438-L522 HydrophobicContact CD2-CD2 3.73Å; L438-L522 HydrophobicContact CG-CD2 4.04Å; N439-L522 HydrophobicContact CB-CD1 3.88Å; I444-L522 HydrophobicContact CD1-CB 3.9Å; R518-L522 WeakPolarHBondContact O-CG 3.47Å; R518-L522 PolarHBondContact O-N 3.01Å; R518-L522 VanDerWaalsContact O-N 3.13Å; Q519-L522 PolarHBondContact O-N 2.87Å; F520-L522 VanDerWaalsContact C-N 3.33Å; F520-L522 PolarHBondContact O-N 3.41Å; L522-S526 VanDerWaalsContact O-CB 3.28Å; L522-S526 WeakPolarHBondContact O-CB 3.46Å; L522-S526 PolarHBondContact O-N 3.28Å
523	S	95.9	Very high	96.1	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-71.1	-42	-179	-56.1	0	0	0	0	112.2	I445 Q519 F520 I521 S526 E527	I445-S523 WeakPolarHBondContact CG1-OG 3.44Å; I445-S523 WeakPolarHBondContact O-CB 2.94Å; I445-S523 PolarHBondContact O-OG 3.26Å; Q519-S523 WeakPolarHBondContact O-CB 3.28Å; Q519-S523 PolarHBondContact O-N 2.83Å; Q519-S523 PolarHBondContact O-OG 3.39Å; F520-S523 PolarHBondContact O-N 3.36Å; F520-S523 VanDerWaalsContact O-N 3.12Å; I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.76Å; S523-S526 PolarHBondContact O-N 2.95Å; S523-E527 VanDerWaalsContact O-CB 3.24Å; S523-E527 WeakPolarHBondContact O-CB 3.34Å; S523-E527 PolarHBondContact O-N 2.8Å
524	V	97.7	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.5	-52.2	171	169.2	0	0	0	0	110.4	F71 I447 V452 F456 F465 F466 F503 F520 I521 S526 E527 S528	F71-V524 HydrophobicContact CE1-CG2 4.33Å; F71-V524 HydrophobicContact CZ-CG2 4.49Å; I447-V524 HydrophobicContact CD1-CG2 4.01Å; V452-V524 HydrophobicContact CG1-CG2 4.13Å; V452-V524 HydrophobicContact CG2-CG2 4.18Å; F456-V524 HydrophobicContact CD2-CG2 4.49Å; F456-V524 HydrophobicContact CE2-CG2 3.92Å; F465-V524 HydrophobicContact CE1-CG1 3.77Å; F465-V524 HydrophobicContact CZ-CG1 4.43Å; F466-V524 HydrophobicContact CE1-CG1 3.76Å; F466-V524 HydrophobicContact CE1-CG2 4.37Å; F503-V524 HydrophobicContact CD1-CG1 4.08Å; F503-V524 HydrophobicContact CE1-CB 3.84Å; F503-V524 HydrophobicContact CE1-CG1 3.64Å; F503-V524 HydrophobicContact CE2-CG1 4.26Å; F503-V524 HydrophobicContact CZ-CB 3.99Å; F503-V524 HydrophobicContact CZ-CG1 3.77Å; F503-V524 HydrophobicContact CZ-CG2 4.2Å; F520-V524 WeakPolarHBondContact O-CG2 3.41Å; F520-V524 PolarHBondContact O-N 2.95Å; I521-V524 PolarHBondContact O-N 2.84Å; V524-S526 PolarHBondContact O-N 3.18Å; V524-E527 PolarHBondContact O-N 3.32Å; V524-E527 VanDerWaalsContact O-N 3.09Å; V524-S528 PolarHBondContact O-N 3.15Å; V524-S528 PolarHBondContact O-OG 3.21Å
525	V	98	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-42.5	-179	176.9	0	0	0	0	111.7	L429 I433 T500 F503 I504 I521 E527 L529	L429-V525 HydrophobicContact CD1-CG1 3.71Å; L429-V525 HydrophobicContact CD2-CG1 4.26Å; L429-V525 HydrophobicContact CG-CG1 3.95Å; I433-V525 HydrophobicContact CD1-CG1 4.31Å; I433-V525 HydrophobicContact CG2-CB 3.91Å; I433-V525 HydrophobicContact CG2-CG1 3.44Å; I433-V525 VanDerWaalsContact CG2-CG1 3.44Å; T500-V525 HydrophobicContact CG2-CB 4.1Å; T500-V525 HydrophobicContact CG2-CG1 3.78Å; T500-V525 HydrophobicContact CG2-CG2 3.96Å; F503-V525 HydrophobicContact CD1-CG2 3.92Å; F503-V525 HydrophobicContact CE1-CG2 4.23Å; I504-V525 HydrophobicContact CB-CG2 3.99Å; I504-V525 HydrophobicContact CD1-CG2 4.25Å; I504-V525 HydrophobicContact CG1-CG2 4.23Å; I521-V525 WeakPolarHBondContact O-CG2 3.48Å; I521-V525 PolarHBondContact O-N 3.44Å; I521-V525 VanDerWaalsContact O-N 3.1Å; V525-E527 VanDerWaalsContact C-N 3.27Å; V525-E527 PolarHBondContact O-N 2.84Å; V525-L529 HydrophobicContact CG1-CD1 4.29Å; V525-L529 WeakPolarHBondContact O-CB 3.46Å; V525-L529 WeakPolarHBondContact O-CG 3.22Å; V525-L529 PolarHBondContact O-N 3.17Å
526	S	96.1	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-38.3	175.3	175.7	0	0	0	0	111.7	L522 S523 V524 R530 R571	L522-S526 VanDerWaalsContact O-CB 3.28Å; L522-S526 WeakPolarHBondContact O-CB 3.46Å; L522-S526 PolarHBondContact O-N 3.28Å; S523-S526 PolarHBondContact O-N 2.95Å; V524-S526 PolarHBondContact O-N 3.18Å; S526-R530 WeakPolarHBondContact O-CB 3.38Å; S526-R530 PolarHBondContact O-N 3.19Å; S526-R571 PolarHBondContact OG-NH2 2.93Å; S526-R571 VanDerWaalsContact OG-NH2 3.1Å
527	E	95.5	Very high	96.3	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.037	4%	0.044	C	C	.	.	H	α-helix	trans	-74.4	-41.4	-177.6	-176.6	59.6	-169.6	0	0	112	P70 F71 Y75 S523 V524 V525 L529 R530 I531	P70-E527 WeakPolarHBondContact CA-OE1 3.32Å; P70-E527 HydrophobicContact CB-CG 4.25Å; F71-E527 HydrophobicContact CD1-CB 4.29Å; F71-E527 HydrophobicContact CD1-CG 3.73Å; F71-E527 HydrophobicContact CE1-CB 3.93Å; F71-E527 HydrophobicContact CE1-CG 3.73Å; F71-E527 HydrophobicContact CG-CG 4.26Å; F71-E527 HydrophobicContact CZ-CG 4.27Å; F71-E527 PolarHBondContact N-OE1 2.82Å; Y75-E527 PolarHBondContact OH-OE1 3.35Å; S523-E527 VanDerWaalsContact O-CB 3.24Å; S523-E527 WeakPolarHBondContact O-CB 3.34Å; S523-E527 PolarHBondContact O-N 2.8Å; V524-E527 PolarHBondContact O-N 3.32Å; V524-E527 VanDerWaalsContact O-N 3.09Å; V525-E527 VanDerWaalsContact C-N 3.27Å; V525-E527 PolarHBondContact O-N 2.84Å; E527-L529 PolarHBondContact O-N 2.79Å; E527-R530 VanDerWaalsContact CD-NE 3.29Å; E527-R530 WeakPolarHBondContact O-CB 3.47Å; E527-R530 PolarHBondContact O-N 2.66Å; E527-R530 VanDerWaalsContact O-N 3.15Å; E527-R530 IonicContact OE1-CZ 3.02Å; E527-R530 VanDerWaalsContact OE1-CZ 3.28Å; E527-R530 IonicContact OE1-NE 3.85Å; E527-R530 PolarHBondContact OE1-NE 3.43Å; E527-R530 VanDerWaalsContact OE1-NE 3.11Å; E527-R530 IonicContact OE1-NH2 2.94Å; E527-R530 PolarHBondContact OE1-NH2 2.93Å; E527-R530 IonicContact OE2-CZ 2.73Å; E527-R530 IonicContact OE2-NE 2.84Å; E527-R530 PolarHBondContact OE2-NE 3.43Å; E527-R530 IonicContact OE2-NH2 3.44Å; E527-I531 PolarHBondContact O-N 2.96Å
528	S	98	Very high	96.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-59.7	-46.8	172.1	-50.8	0	0	0	0	111	F465 L469 T500 V524 R530 I531 C532	F465-S528 WeakPolarHBondContact CZ-OG 3.27Å; L469-S528 WeakPolarHBondContact CD2-OG 3.36Å; T500-S528 WeakPolarHBondContact OG1-CB 3.49Å; V524-S528 PolarHBondContact O-N 3.15Å; V524-S528 PolarHBondContact O-OG 3.21Å; S528-R530 VanDerWaalsContact C-N 3.28Å; S528-R530 PolarHBondContact O-N 2.89Å; S528-I531 PolarHBondContact O-N 3.43Å; S528-C532 WeakPolarHBondContact O-CB 3.48Å; S528-C532 PolarHBondContact O-N 2.95Å; S528-C532 PolarHBondContact O-SG 3.18Å
529	L	97.5	Very high	96.3	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.01	2%	0.021	C	C	.	.	H	α-helix	trans	-60.8	-36.2	175.1	-76.9	175.4	0	0	0	112.5	I426 L429 L430 I433 V525 E527 A533 L547 L551	I426-L529 HydrophobicContact CG2-CD2 4.49Å; L429-L529 HydrophobicContact CD2-CD1 4.43Å; L429-L529 HydrophobicContact CD2-CD2 3.86Å; L429-L529 HydrophobicContact CD2-CG 4.14Å; L429-L529 HydrophobicContact CG-CD1 4.23Å; L429-L529 HydrophobicContact CG-CD2 4.38Å; L429-L529 HydrophobicContact CG-CG 4.49Å; L430-L529 HydrophobicContact CB-CD1 4.42Å; L430-L529 HydrophobicContact CD1-CD1 4.37Å; I433-L529 HydrophobicContact CD1-CD1 3.72Å; I433-L529 HydrophobicContact CG1-CD1 4.43Å; V525-L529 HydrophobicContact CG1-CD1 4.29Å; V525-L529 WeakPolarHBondContact O-CB 3.46Å; V525-L529 WeakPolarHBondContact O-CG 3.22Å; V525-L529 PolarHBondContact O-N 3.17Å; E527-L529 PolarHBondContact O-N 2.79Å; L529-A533 VanDerWaalsContact O-CB 3.22Å; L529-A533 WeakPolarHBondContact O-CB 3.4Å; L529-A533 PolarHBondContact O-N 3.38Å; L529-L547 HydrophobicContact CD2-CD1 4.47Å; L529-L547 HydrophobicContact CD2-CD2 4.43Å; L529-L551 HydrophobicContact CB-CD1 3.89Å
530	R	94.7	Very high	96.3	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-62.5	-49.4	176.2	-175.8	-169.8	73.5	72.7	-3.4	111.2	I67 K69 Y75 S526 E527 S528 A533 L534 L548 L551 I553	I67-R530 PolarHBondContact O-NH1 3.46Å; I67-R530 PolarHBondContact O-NH2 3.3Å; K69-R530 PolarHBondContact O-NH2 2.9Å; Y75-R530 VanDerWaalsContact CE1-NH2 3.34Å; Y75-R530 VanDerWaalsContact CZ-CZ 3.42Å; Y75-R530 PolarHBondContact OH-NH2 3.35Å; S526-R530 WeakPolarHBondContact O-CB 3.38Å; S526-R530 PolarHBondContact O-N 3.19Å; E527-R530 VanDerWaalsContact CD-NE 3.29Å; E527-R530 WeakPolarHBondContact O-CB 3.47Å; E527-R530 PolarHBondContact O-N 2.66Å; E527-R530 VanDerWaalsContact O-N 3.15Å; E527-R530 IonicContact OE1-CZ 3.02Å; E527-R530 VanDerWaalsContact OE1-CZ 3.28Å; E527-R530 IonicContact OE1-NE 3.85Å; E527-R530 PolarHBondContact OE1-NE 3.43Å; E527-R530 VanDerWaalsContact OE1-NE 3.11Å; E527-R530 IonicContact OE1-NH2 2.94Å; E527-R530 PolarHBondContact OE1-NH2 2.93Å; E527-R530 IonicContact OE2-CZ 2.73Å; E527-R530 IonicContact OE2-NE 2.84Å; E527-R530 PolarHBondContact OE2-NE 3.43Å; E527-R530 IonicContact OE2-NH2 3.44Å; S528-R530 VanDerWaalsContact C-N 3.28Å; S528-R530 PolarHBondContact O-N 2.89Å; R530-A533 PolarHBondContact O-N 2.94Å; R530-L534 VanDerWaalsContact NH1-CD1 3.26Å; R530-L534 WeakPolarHBondContact O-CG 3.34Å; R530-L534 PolarHBondContact O-N 3.12Å; R530-L534 VanDerWaalsContact O-N 3.1Å; R530-L548 HydrophobicContact CG-CD2 3.93Å; R530-L551 HydrophobicContact CB-CD1 4.22Å; R530-I553 HydrophobicContact CB-CD1 4.27Å; R530-I553 HydrophobicContact CG-CD1 3.45Å; R530-I553 VanDerWaalsContact CG-CD1 3.45Å
531	I	95.5	Very high	96.1	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-62.7	-46.5	177.9	-67.3	-60.2	0	0	0	111	L68 P70 L469 I472 E527 S528 A533 L534 L535	L68-I531 VanDerWaalsContact O-CD1 3.3Å; L68-I531 WeakPolarHBondContact O-CD1 3.49Å; P70-I531 HydrophobicContact CB-CG1 4.13Å; L469-I531 HydrophobicContact CD1-CB 4.16Å; L469-I531 HydrophobicContact CD1-CG1 4.36Å; L469-I531 HydrophobicContact CD1-CG2 4.18Å; I472-I531 HydrophobicContact CG2-CG2 3.63Å; E527-I531 PolarHBondContact O-N 2.96Å; S528-I531 PolarHBondContact O-N 3.43Å; I531-A533 VanDerWaalsContact C-N 3.32Å; I531-A533 PolarHBondContact O-N 3.12Å; I531-L534 PolarHBondContact O-N 3.41Å; I531-L535 HydrophobicContact CG2-CD1 4.03Å; I531-L535 PolarHBondContact O-N 3Å
532	C	97.7	Very high	95.9	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.007	2%	0.018	C	C	.	.	H	α-helix	trans	-59.7	-42.1	176.4	-65.7	0	0	0	0	111.8	V493 I496 I497 S528 L534 L535 L536	V493-C532 HydrophobicContact CG1-CB 3.57Å; I496-C532 VanDerWaalsContact CG2-SG 3.51Å; I497-C532 HydrophobicContact CD1-CB 4.29Å; I497-C532 HydrophobicContact CG1-CB 4.16Å; S528-C532 WeakPolarHBondContact O-CB 3.48Å; S528-C532 PolarHBondContact O-N 2.95Å; S528-C532 PolarHBondContact O-SG 3.18Å; C532-L534 VanDerWaalsContact C-N 3.33Å; C532-L534 PolarHBondContact O-N 3.13Å; C532-L535 PolarHBondContact O-N 3.22Å; C532-L536 VanDerWaalsContact O-CB 3.23Å; C532-L536 WeakPolarHBondContact O-CB 3.5Å; C532-L536 VanDerWaalsContact O-CG 3.25Å; C532-L536 WeakPolarHBondContact O-CG 3.17Å; C532-L536 PolarHBondContact O-N 2.89Å
533	A	95.4	Very high	95.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.1	-41.7	177.6	0	0	0	0	0	112.1	L529 R530 I531 Q537 S544 L547 L548	L529-A533 VanDerWaalsContact O-CB 3.22Å; L529-A533 WeakPolarHBondContact O-CB 3.4Å; L529-A533 PolarHBondContact O-N 3.38Å; R530-A533 PolarHBondContact O-N 2.94Å; I531-A533 VanDerWaalsContact C-N 3.32Å; I531-A533 PolarHBondContact O-N 3.12Å; A533-Q537 PolarHBondContact O-N 3.46Å; A533-Q537 VanDerWaalsContact O-N 3.07Å; A533-S544 WeakPolarHBondContact O-CB 3.43Å; A533-S544 PolarHBondContact O-OG 3.29Å; A533-L547 HydrophobicContact CB-CB 4.19Å; A533-L547 HydrophobicContact CB-CD2 3.61Å; A533-L547 HydrophobicContact CB-CG 3.86Å; A533-L548 HydrophobicContact CB-CD1 4.39Å; A533-L548 HydrophobicContact CB-CD2 3.81Å; A533-L548 HydrophobicContact CB-CG 3.75Å
534	L	93.9	Very high	95.6	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.4	-50.9	176.9	-69.1	172.2	0	0	0	111.4	L62 I67 L68 Y80 R530 I531 C532 L536 Q537 L548	L62-L534 WeakPolarHBondContact CD2-O 3.36Å; I67-L534 HydrophobicContact CB-CD1 4.31Å; I67-L534 HydrophobicContact CD1-CD1 4.34Å; I67-L534 HydrophobicContact CD1-CD2 4.19Å; I67-L534 HydrophobicContact CG1-CD1 4.18Å; I67-L534 WeakPolarHBondContact O-CD1 3.44Å; L68-L534 HydrophobicContact CD2-CB 3.86Å; L68-L534 HydrophobicContact CD2-CD1 4.28Å; Y80-L534 HydrophobicContact CD1-CD2 3.82Å; Y80-L534 HydrophobicContact CE1-CD1 4.14Å; Y80-L534 HydrophobicContact CE1-CD2 3.88Å; R530-L534 VanDerWaalsContact NH1-CD1 3.26Å; R530-L534 WeakPolarHBondContact O-CG 3.34Å; R530-L534 PolarHBondContact O-N 3.12Å; R530-L534 VanDerWaalsContact O-N 3.1Å; I531-L534 PolarHBondContact O-N 3.41Å; C532-L534 VanDerWaalsContact C-N 3.33Å; C532-L534 PolarHBondContact O-N 3.13Å; L534-L536 VanDerWaalsContact C-N 3.26Å; L534-L536 PolarHBondContact O-N 3.41Å; L534-Q537 WeakPolarHBondContact O-CB 3.36Å; L534-Q537 PolarHBondContact O-N 3.39Å; L534-L548 HydrophobicContact CD2-CD1 4.06Å
535	L	96.7	Very high	95.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.2	-26.7	-179.2	-68.8	175.1	0	0	0	113.1	Y59 L68 I472 F476 V493 I531 C532 P538	Y59-L535 HydrophobicContact CE2-CD2 4.42Å; L68-L535 HydrophobicContact CD1-CD2 4.11Å; L68-L535 HydrophobicContact CD2-CD2 3.69Å; L68-L535 HydrophobicContact CD2-CG 4.04Å; I472-L535 HydrophobicContact CB-CD1 4.42Å; I472-L535 HydrophobicContact CD1-CD1 3.73Å; I472-L535 HydrophobicContact CG1-CD1 3.69Å; I472-L535 HydrophobicContact CG2-CD1 3.96Å; F476-L535 HydrophobicContact CB-CD1 4.41Å; F476-L535 HydrophobicContact CB-CD2 4.31Å; F476-L535 HydrophobicContact CD1-CD2 4.09Å; F476-L535 HydrophobicContact CD2-CB 4.16Å; F476-L535 HydrophobicContact CD2-CD1 4.33Å; F476-L535 HydrophobicContact CD2-CD2 4.34Å; F476-L535 HydrophobicContact CE2-CB 4.1Å; F476-L535 HydrophobicContact CG-CD1 4.46Å; F476-L535 HydrophobicContact CG-CD2 3.98Å; F476-L535 WeakPolarHBondContact CZ-O 3.49Å; V493-L535 HydrophobicContact CG2-CB 3.86Å; V493-L535 HydrophobicContact CG2-CD1 4.27Å; I531-L535 HydrophobicContact CG2-CD1 4.03Å; I531-L535 PolarHBondContact O-N 3Å; C532-L535 PolarHBondContact O-N 3.22Å; L535-P538 WeakPolarHBondContact O-CD 3.32Å
536	L	97.2	Very high	94.9	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-83.9	-10.3	173.4	-71.5	171.5	0	0	0	113.6	I426 I490 V493 I497 C532 L534 P538 V539 I540 S544	I426-L536 HydrophobicContact CD1-CD1 3.86Å; I490-L536 HydrophobicContact CG2-CD2 4.06Å; V493-L536 HydrophobicContact CB-CD2 4.37Å; V493-L536 HydrophobicContact CB-CG 4.41Å; V493-L536 HydrophobicContact CG1-CD1 3.93Å; V493-L536 HydrophobicContact CG1-CD2 4.31Å; V493-L536 HydrophobicContact CG1-CG 3.84Å; I497-L536 HydrophobicContact CD1-CD1 4.26Å; C532-L536 VanDerWaalsContact O-CB 3.23Å; C532-L536 WeakPolarHBondContact O-CB 3.5Å; C532-L536 VanDerWaalsContact O-CG 3.25Å; C532-L536 WeakPolarHBondContact O-CG 3.17Å; C532-L536 PolarHBondContact O-N 2.89Å; L534-L536 VanDerWaalsContact C-N 3.26Å; L534-L536 PolarHBondContact O-N 3.41Å; L536-P538 VanDerWaalsContact C-CD 3.48Å; L536-P538 VanDerWaalsContact C-N 3.34Å; L536-V539 CarbonylContact O-C 3.58Å; L536-V539 WeakPolarHBondContact O-CA 3.48Å; L536-V539 WeakPolarHBondContact O-CB 3.44Å; L536-V539 PolarHBondContact O-N 3.1Å; L536-I540 HydrophobicContact CB-CD1 3.95Å; L536-I540 HydrophobicContact CB-CG1 3.74Å; L536-I540 HydrophobicContact CD1-CD1 4.12Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.33Å; L536-S544 VanDerWaalsContact C-OG 3.32Å
537	Q	94.2	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.4	-178.6	-175.4	-80.3	-10.5	0	0	113.8	V83 F84 A533 L534 V539 P541 S544	V83-Q537 HydrophobicContact CG1-CG 4.22Å; V83-Q537 PolarHBondContact O-NE2 3.46Å; F84-Q537 HydrophobicContact CD1-CG 3.67Å; F84-Q537 HydrophobicContact CE1-CB 4.33Å; F84-Q537 HydrophobicContact CE1-CG 3.31Å; F84-Q537 HydrophobicContact CZ-CG 4.08Å; A533-Q537 PolarHBondContact O-N 3.46Å; A533-Q537 VanDerWaalsContact O-N 3.07Å; L534-Q537 WeakPolarHBondContact O-CB 3.36Å; L534-Q537 PolarHBondContact O-N 3.39Å; Q537-V539 PolarHBondContact O-N 2.92Å; Q537-P541 VanDerWaalsContact O-CA 3.23Å; Q537-P541 WeakPolarHBondContact O-CA 3.48Å; Q537-P541 WeakPolarHBondContact O-CB 3.37Å; Q537-P541 WeakPolarHBondContact O-CD 3.46Å; Q537-S544 WeakPolarHBondContact CA-OG 3.39Å; Q537-S544 PolarHBondContact N-OG 2.94Å
538	P	94.9	Very high	94.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.4	173.8	-26.9	37.6	0	0	0	114.1	A55 R58 Y59 R394 W480 L535 L536	A55-P538 HydrophobicContact CB-CB 4.2Å; A55-P538 VanDerWaalsContact CB-O 3.24Å; A55-P538 WeakPolarHBondContact CB-O 3.41Å; A55-P538 WeakPolarHBondContact O-CB 3.4Å; R58-P538 HydrophobicContact CB-CB 3.91Å; R58-P538 HydrophobicContact CB-CG 4.11Å; Y59-P538 HydrophobicContact CD2-CG 4.14Å; Y59-P538 HydrophobicContact CG-CG 4.42Å; R394-P538 PolarHBondContact NH2-O 2.81Å; W480-P538 HydrophobicContact CH2-CB 4.32Å; W480-P538 HydrophobicContact CZ2-CB 4.26Å; L535-P538 WeakPolarHBondContact O-CD 3.32Å; L536-P538 VanDerWaalsContact C-CD 3.48Å; L536-P538 VanDerWaalsContact C-N 3.34Å
539	V	97	Very high	94.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-47.1	-172.4	-169.9	0	0	0	0	111	R394 Y395 L398 W480 I490 L536 Q537	R394-V539 VanDerWaalsContact CD-O 3.27Å; R394-V539 WeakPolarHBondContact CD-O 3.23Å; R394-V539 WeakPolarHBondContact CG-O 3.34Å; R394-V539 PolarHBondContact NE-O 2.95Å; Y395-V539 HydrophobicContact CD2-CG1 3.73Å; Y395-V539 HydrophobicContact CE2-CG1 4.43Å; L398-V539 HydrophobicContact CB-CG1 4.16Å; L398-V539 HydrophobicContact CD1-CB 4.29Å; L398-V539 HydrophobicContact CD1-CG1 3.87Å; L398-V539 HydrophobicContact CD1-CG2 4.5Å; W480-V539 HydrophobicContact CH2-CG2 3.8Å; W480-V539 HydrophobicContact CZ3-CG2 3.8Å; I490-V539 HydrophobicContact CD1-CB 4.48Å; I490-V539 HydrophobicContact CD1-CG1 3.79Å; I490-V539 HydrophobicContact CD1-CG2 3.81Å; I490-V539 HydrophobicContact CG1-CG1 4.45Å; I490-V539 HydrophobicContact CG1-CG2 3.86Å; L536-V539 CarbonylContact O-C 3.58Å; L536-V539 WeakPolarHBondContact O-CA 3.48Å; L536-V539 WeakPolarHBondContact O-CB 3.44Å; L536-V539 PolarHBondContact O-N 3.1Å; Q537-V539 PolarHBondContact O-N 2.92Å
540	I	95.8	Very high	94	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.015	4%	0.044	C	C	.	.	S	Bend	trans	-132.9	65.6	-175.1	51.9	164.5	0	0	0	111	D391 Y395 L422 L536 N542 L543 S544	D391-I540 HydrophobicContact CB-CB 4.1Å; D391-I540 HydrophobicContact CB-CG2 4.09Å; D391-I540 WeakPolarHBondContact OD2-CA 3.19Å; Y395-I540 HydrophobicContact CD2-CG2 3.61Å; Y395-I540 HydrophobicContact CG-CG2 3.98Å; L422-I540 HydrophobicContact CD2-CD1 4Å; L536-I540 HydrophobicContact CB-CD1 3.95Å; L536-I540 HydrophobicContact CB-CG1 3.74Å; L536-I540 HydrophobicContact CD1-CD1 4.12Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.33Å; I540-N542 PolarHBondContact O-N 3.48Å; I540-L543 HydrophobicContact CB-CB 4.07Å; I540-L543 HydrophobicContact CB-CD1 4.24Å; I540-L543 HydrophobicContact CD1-CB 3.93Å; I540-L543 HydrophobicContact CD1-CD1 4.4Å; I540-L543 HydrophobicContact CG1-CB 4.35Å; I540-L543 HydrophobicContact CG2-CD1 4.3Å; I540-L543 PolarHBondContact O-N 3.07Å; I540-S544 WeakPolarHBondContact O-CB 3.2Å; I540-S544 PolarHBondContact O-N 2.82Å; I540-S544 PolarHBondContact O-OG 3.02Å
541	P	93	Very high	93.9	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.026	4%	0.044	C	C	.	.	H	α-helix	trans	-56.2	-41.9	-167.3	20.6	-32.8	0	0	0	114.9	H135 Q537 I545	H135-P541 HydrophobicContact CB-CG 4.38Å; Q537-P541 VanDerWaalsContact O-CA 3.23Å; Q537-P541 WeakPolarHBondContact O-CA 3.48Å; Q537-P541 WeakPolarHBondContact O-CB 3.37Å; Q537-P541 WeakPolarHBondContact O-CD 3.46Å; P541-I545 VanDerWaalsContact O-CG1 3.24Å; P541-I545 WeakPolarHBondContact O-CG1 3.43Å; P541-I545 PolarHBondContact O-N 2.72Å
542	N	91.9	Very high	93.6	Very high	44 Å²	44	9.6 Å²	9.6	24%	0.235	5%	0.045	C	C	.	.	H	α-helix	trans	-77.1	-39.8	-179.4	-61.4	-86	0	0	0	112.2	H135 P387 D391 I540 S544 I545 R546	H135-N542 PolarHBondContact CE1-ND2 3.23Å; H135-N542 PolarHBondContact ND1-ND2 3.32Å; P387-N542 WeakPolarHBondContact O-CB 3.45Å; D391-N542 PolarHBondContact OD1-ND2 3.47Å; D391-N542 VanDerWaalsContact OD2-CA 3.31Å; D391-N542 WeakPolarHBondContact OD2-CA 3.34Å; D391-N542 WeakPolarHBondContact OD2-CB 3.36Å; D391-N542 PolarHBondContact OD2-N 3.04Å; I540-N542 PolarHBondContact O-N 3.48Å; N542-S544 VanDerWaalsContact C-N 3.3Å; N542-I545 PolarHBondContact O-N 3.25Å; N542-R546 VanDerWaalsContact O-CB 3.3Å; N542-R546 WeakPolarHBondContact O-CB 3.32Å; N542-R546 PolarHBondContact O-N 3.22Å
543	L	93.7	Very high	93	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.4	-36.9	174.1	-73.4	168.9	0	0	0	111.2	A388 D391 L392 L422 I540 R546 L547 F580 L581	A388-L543 HydrophobicContact CB-CD2 3.8Å; A388-L543 HydrophobicContact CB-CG 4.37Å; A388-L543 WeakPolarHBondContact O-CG 3.34Å; D391-L543 HydrophobicContact CB-CD1 4.11Å; D391-L543 HydrophobicContact CB-CG 4.38Å; D391-L543 PolarHBondContact OD2-N 3.38Å; L392-L543 HydrophobicContact CD2-CD1 4.13Å; L422-L543 HydrophobicContact CD1-CD1 4.01Å; I540-L543 HydrophobicContact CB-CB 4.07Å; I540-L543 HydrophobicContact CB-CD1 4.24Å; I540-L543 HydrophobicContact CD1-CB 3.93Å; I540-L543 HydrophobicContact CD1-CD1 4.4Å; I540-L543 HydrophobicContact CG1-CB 4.35Å; I540-L543 HydrophobicContact CG2-CD1 4.3Å; I540-L543 PolarHBondContact O-N 3.07Å; L543-R546 PolarHBondContact O-N 3.09Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.37Å; L543-L547 PolarHBondContact O-N 3.25Å; L543-F580 HydrophobicContact CB-CZ 3.99Å; L543-F580 HydrophobicContact CD2-CE1 4.1Å; L543-F580 HydrophobicContact CD2-CE2 4.19Å; L543-F580 HydrophobicContact CD2-CZ 3.83Å; L543-F580 HydrophobicContact CG-CZ 4.47Å; L543-F580 WeakPolarHBondContact O-CE2 3.42Å; L543-L581 HydrophobicContact CD2-CD1 4.49Å
544	S	93.8	Very high	92.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-45.9	172.9	-76.9	0	0	0	0	112.3	A533 L536 Q537 I540 N542 R546 L547 L548	A533-S544 WeakPolarHBondContact O-CB 3.43Å; A533-S544 PolarHBondContact O-OG 3.29Å; L536-S544 VanDerWaalsContact C-OG 3.32Å; Q537-S544 WeakPolarHBondContact CA-OG 3.39Å; Q537-S544 PolarHBondContact N-OG 2.94Å; I540-S544 WeakPolarHBondContact O-CB 3.2Å; I540-S544 PolarHBondContact O-N 2.82Å; I540-S544 PolarHBondContact O-OG 3.02Å; N542-S544 VanDerWaalsContact C-N 3.3Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.38Å; S544-L547 PolarHBondContact O-N 3.03Å; S544-L548 WeakPolarHBondContact O-CG 3.41Å; S544-L548 PolarHBondContact O-N 3.29Å
545	I	90.3	Very high	91.1	Very high	26 Å²	26	15 Å²	15	13%	0.133	7%	0.067	C	C	.	.	H	α-helix	trans	-57.1	-49.2	172.6	-73.8	167.3	0	0	0	110.1	F84 P541 N542 L547 L548 H549 Y555	F84-I545 HydrophobicContact CD1-CD1 3.65Å; F84-I545 HydrophobicContact CD1-CG1 3.33Å; F84-I545 HydrophobicContact CE1-CD1 4.2Å; F84-I545 HydrophobicContact CE1-CG1 3.36Å; F84-I545 HydrophobicContact CG-CD1 4.38Å; F84-I545 HydrophobicContact CG-CG1 4.25Å; F84-I545 HydrophobicContact CZ-CG1 4.32Å; P541-I545 VanDerWaalsContact O-CG1 3.24Å; P541-I545 WeakPolarHBondContact O-CG1 3.43Å; P541-I545 PolarHBondContact O-N 2.72Å; N542-I545 PolarHBondContact O-N 3.25Å; I545-L547 VanDerWaalsContact C-N 3.32Å; I545-L547 PolarHBondContact O-N 3.13Å; I545-L548 PolarHBondContact O-N 2.93Å; I545-H549 WeakPolarHBondContact O-CB 3.4Å; I545-H549 PolarHBondContact O-CD2 3.14Å; I545-H549 PolarHBondContact O-N 3.09Å; I545-Y555 HydrophobicContact CD1-CE1 4.16Å; I545-Y555 HydrophobicContact CG1-CE1 4.29Å; I545-Y555 HydrophobicContact CG2-CD1 4.29Å; I545-Y555 HydrophobicContact CG2-CE1 3.7Å
546	R	91.3	Very high	89.2	Confident	60 Å²	60	19.6 Å²	19.6	23%	0.226	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-44.8	179.4	-173.2	177.1	-170.1	175.6	6.5	111.3	N542 L543 S544 H549 R550 T577 K579 F580	N542-R546 VanDerWaalsContact O-CB 3.3Å; N542-R546 WeakPolarHBondContact O-CB 3.32Å; N542-R546 PolarHBondContact O-N 3.22Å; L543-R546 PolarHBondContact O-N 3.09Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.38Å; R546-H549 PolarHBondContact O-N 2.92Å; R546-R550 VanDerWaalsContact O-CG 3.24Å; R546-R550 WeakPolarHBondContact O-CG 3.29Å; R546-R550 PolarHBondContact O-N 2.85Å; R546-T577 PolarHBondContact NH2-O 3.12Å; R546-K579 VanDerWaalsContact CZ-O 3.23Å; R546-K579 PolarHBondContact NH1-O 3.3Å; R546-K579 PolarHBondContact NH2-O 3.44Å; R546-F580 HydrophobicContact CG-CD2 4.47Å; R546-F580 PolarHBondContact NH1-O 2.93Å
547	L	93.7	Very high	87.2	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-48.8	177.7	-179.9	53.3	0	0	0	110.8	I426 L430 L529 A533 L543 S544 I545 R550 L551 F580	I426-L547 HydrophobicContact CG2-CD2 3.89Å; L430-L547 HydrophobicContact CB-CD1 4.24Å; L430-L547 HydrophobicContact CD1-CD1 3.78Å; L430-L547 HydrophobicContact CD2-CD1 3.73Å; L430-L547 HydrophobicContact CG-CD1 4.1Å; L529-L547 HydrophobicContact CD2-CD1 4.47Å; L529-L547 HydrophobicContact CD2-CD2 4.43Å; A533-L547 HydrophobicContact CB-CB 4.19Å; A533-L547 HydrophobicContact CB-CD2 3.61Å; A533-L547 HydrophobicContact CB-CG 3.86Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.37Å; L543-L547 PolarHBondContact O-N 3.25Å; S544-L547 PolarHBondContact O-N 3.03Å; I545-L547 VanDerWaalsContact C-N 3.32Å; I545-L547 PolarHBondContact O-N 3.13Å; L547-R550 PolarHBondContact O-N 2.62Å; L547-L551 HydrophobicContact CD1-CD1 4.47Å; L547-L551 HydrophobicContact CG-CD1 4.5Å; L547-L551 WeakPolarHBondContact O-CG 3.41Å; L547-L551 PolarHBondContact O-N 3.16Å; L547-L551 VanDerWaalsContact O-N 3.14Å; L547-F580 HydrophobicContact CB-CE2 3.88Å; L547-F580 HydrophobicContact CB-CZ 4.37Å
548	L	91.5	Very high	85	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-43.9	178.4	-70.4	169.2	0	0	0	112.7	F84 R530 A533 L534 S544 I545 R550 L551 G552 I553	F84-L548 HydrophobicContact CE1-CD1 4.36Å; F84-L548 HydrophobicContact CE2-CD1 4.35Å; F84-L548 HydrophobicContact CZ-CD1 3.53Å; R530-L548 HydrophobicContact CG-CD2 3.93Å; A533-L548 HydrophobicContact CB-CD1 4.39Å; A533-L548 HydrophobicContact CB-CD2 3.81Å; A533-L548 HydrophobicContact CB-CG 3.75Å; L534-L548 HydrophobicContact CD2-CD1 4.06Å; S544-L548 WeakPolarHBondContact O-CG 3.41Å; S544-L548 PolarHBondContact O-N 3.29Å; I545-L548 PolarHBondContact O-N 2.93Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 3.04Å; L548-L551 CarbonylContact O-C 3.49Å; L548-L551 WeakPolarHBondContact O-CA 3.39Å; L548-L551 WeakPolarHBondContact O-CB 3.34Å; L548-L551 PolarHBondContact O-N 3.44Å; L548-G552 PolarHBondContact O-N 3.35Å; L548-I553 CarbonylContact C-O 3.49Å; L548-I553 HydrophobicContact CB-CB 4.23Å; L548-I553 HydrophobicContact CB-CG2 4.47Å; L548-I553 HydrophobicContact CD2-CB 4.42Å; L548-I553 HydrophobicContact CD2-CD1 4.11Å; L548-I553 HydrophobicContact CD2-CG2 4.38Å; L548-I553 PolarHBondContact O-N 3.34Å
549	H	90.6	Very high	82.4	Confident	43 Å²	43	37 Å²	37	20%	0.199	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-43.1	176.3	-75.9	-165	0	0	0	110.6	I545 R546 L551 G552 I553 Y554 Y555 E558 G574	I545-H549 WeakPolarHBondContact O-CB 3.4Å; I545-H549 PolarHBondContact O-CD2 3.14Å; I545-H549 PolarHBondContact O-N 3.09Å; R546-H549 PolarHBondContact O-N 2.92Å; H549-L551 PolarHBondContact O-N 3.08Å; H549-G552 PolarHBondContact O-N 3.33Å; H549-I553 WeakPolarHBondContact CA-O 3.4Å; H549-I553 PolarHBondContact CD2-O 3.41Å; H549-I553 VanDerWaalsContact CD2-O 3.32Å; H549-I553 PolarHBondContact N-O 2.98Å; H549-Y554 HydrophobicContact CB-CD1 4.46Å; H549-Y554 HydrophobicContact CB-CE1 4.23Å; H549-Y554 AromaticContact CD2-CD1 3.84Å; H549-Y554 AromaticContact CG-CD1 3.95Å; H549-Y555 AromaticContact CE1-CE1 3.68Å; H549-Y555 AromaticContact NE2-CD1 3.3Å; H549-Y555 VanDerWaalsContact NE2-CD1 3.3Å; H549-Y555 WeakPolarHBondContact NE2-CD1 3.48Å; H549-Y555 AromaticContact NE2-CE1 3.42Å; H549-Y555 WeakPolarHBondContact NE2-CE1 3.48Å; H549-E558 IonicContact CE1-OE2 3.28Å; H549-G574 VanDerWaalsContact O-CA 3.27Å; H549-G574 WeakPolarHBondContact O-CA 3.22Å
550	R	91.9	Very high	79.4	Confident	8 Å²	8	45.4 Å²	45.4	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-28.9	175.4	-68.8	-58	-55.7	-114	4.8	113.3	L430 R546 L547 L548 G552 G574 E575 N576 T577 G578	L430-R550 HydrophobicContact CD1-CB 4.06Å; L430-R550 HydrophobicContact CD2-CB 3.95Å; L430-R550 HydrophobicContact CD2-CG 4.08Å; L430-R550 HydrophobicContact CG-CB 4.5Å; R546-R550 VanDerWaalsContact O-CG 3.24Å; R546-R550 WeakPolarHBondContact O-CG 3.29Å; R546-R550 PolarHBondContact O-N 2.85Å; L547-R550 PolarHBondContact O-N 2.62Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 3.04Å; R550-G552 PolarHBondContact O-N 3.42Å; R550-G574 PolarHBondContact O-N 2.75Å; R550-E575 WeakPolarHBondContact CD-O 3.44Å; R550-E575 PolarHBondContact NE-O 3.34Å; R550-E575 VanDerWaalsContact NE-O 3.14Å; R550-N576 VanDerWaalsContact CZ-OD1 3.29Å; R550-N576 PolarHBondContact NH1-OD1 2.83Å; R550-N576 VanDerWaalsContact NH2-CA 3.31Å; R550-N576 PolarHBondContact NH2-OD1 3.26Å; R550-T577 VanDerWaalsContact NH1-N 3.1Å; R550-G578 PolarHBondContact NH1-O 2.82Å
551	L	91.8	Very high	76.9	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.3	173.4	-60.5	174.9	0	0	0	113.7	L430 I433 L529 R530 L547 L548 H549 I553 R571	L430-L551 HydrophobicContact CD1-CD2 3.97Å; I433-L551 HydrophobicContact CD1-CD2 3.81Å; L529-L551 HydrophobicContact CB-CD1 3.89Å; R530-L551 HydrophobicContact CB-CD1 4.22Å; L547-L551 HydrophobicContact CD1-CD1 4.47Å; L547-L551 HydrophobicContact CG-CD1 4.5Å; L547-L551 WeakPolarHBondContact O-CG 3.41Å; L547-L551 PolarHBondContact O-N 3.16Å; L547-L551 VanDerWaalsContact O-N 3.14Å; L548-L551 CarbonylContact O-C 3.49Å; L548-L551 WeakPolarHBondContact O-CA 3.39Å; L548-L551 WeakPolarHBondContact O-CB 3.34Å; L548-L551 PolarHBondContact O-N 3.44Å; H549-L551 PolarHBondContact O-N 3.08Å; L551-I553 HydrophobicContact CB-CD1 4.38Å; L551-R571 WeakPolarHBondContact O-CD 3.44Å; L551-R571 PolarHBondContact O-NE 3.4Å
552	G	89.1	Confident	74.5	Confident	3 Å²	3	58 Å²	58	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	14	179.9	0	0	0	0	0	114.6	L548 H549 R550 Y554 N565 V572	L548-G552 PolarHBondContact O-N 3.35Å; H549-G552 PolarHBondContact O-N 3.33Å; R550-G552 PolarHBondContact O-N 3.42Å; G552-Y554 WeakPolarHBondContact O-CD2 3.45Å; G552-N565 PolarHBondContact O-ND2 3.46Å; G552-V572 VanDerWaalsContact CA-O 3.29Å; G552-V572 WeakPolarHBondContact CA-O 3.34Å
553	I	86.6	Confident	72.4	Confident	12 Å²	12	64 Å²	64	6%	0.062	31%	0.305	C	S	.	.			trans	-107	114.3	-176.8	-59.3	168.4	0	0	0	108.2	Y80 R530 L548 H549 L551	Y80-I553 HydrophobicContact CD1-CG2 4.25Å; Y80-I553 HydrophobicContact CD2-CG2 4Å; Y80-I553 HydrophobicContact CE1-CG2 3.98Å; Y80-I553 HydrophobicContact CE2-CG2 3.71Å; Y80-I553 HydrophobicContact CG-CG2 4.26Å; R530-I553 HydrophobicContact CB-CD1 4.27Å; R530-I553 HydrophobicContact CG-CD1 3.45Å; R530-I553 VanDerWaalsContact CG-CD1 3.45Å; L548-I553 CarbonylContact C-O 3.49Å; L548-I553 HydrophobicContact CB-CB 4.23Å; L548-I553 HydrophobicContact CB-CG2 4.47Å; L548-I553 HydrophobicContact CD2-CB 4.42Å; L548-I553 HydrophobicContact CD2-CD1 4.11Å; L548-I553 HydrophobicContact CD2-CG2 4.38Å; L548-I553 PolarHBondContact O-N 3.34Å; H549-I553 WeakPolarHBondContact CA-O 3.4Å; H549-I553 PolarHBondContact CD2-O 3.41Å; H549-I553 VanDerWaalsContact CD2-O 3.32Å; H549-I553 PolarHBondContact N-O 2.98Å; L551-I553 HydrophobicContact CB-CD1 4.38Å
554	Y	79.8	Confident	70.6	Confident	65 Å²	65	67.7 Å²	67.7	26%	0.255	33%	0.331	S	S	.	.			trans	-115.2	150.8	-175.4	-59.4	-90.8	0	0	0	110.9	H549 G552 N565 G574	H549-Y554 HydrophobicContact CB-CD1 4.46Å; H549-Y554 HydrophobicContact CB-CE1 4.23Å; H549-Y554 AromaticContact CD2-CD1 3.84Å; H549-Y554 AromaticContact CG-CD1 3.95Å; G552-Y554 WeakPolarHBondContact O-CD2 3.45Å; Y554-N565 WeakPolarHBondContact CD2-ND2 3.03Å; Y554-N565 WeakPolarHBondContact CE2-ND2 3.49Å; Y554-G574 WeakPolarHBondContact OH-CA 3.17Å
555	Y	69.2	Low	69.3	Low	38 Å²	38	69.8 Å²	69.8	15%	0.149	34%	0.342	C	S	.	.			trans	-103.6	142.9	170.8	73.6	-81.6	0	0	0	109.7	F84 I545 H549 G557 E558	F84-Y555 HydrophobicContact CD2-CG 4.4Å; I545-Y555 HydrophobicContact CD1-CE1 4.16Å; I545-Y555 HydrophobicContact CG1-CE1 4.29Å; I545-Y555 HydrophobicContact CG2-CD1 4.29Å; I545-Y555 HydrophobicContact CG2-CE1 3.7Å; H549-Y555 AromaticContact CE1-CE1 3.68Å; H549-Y555 AromaticContact NE2-CD1 3.3Å; H549-Y555 VanDerWaalsContact NE2-CD1 3.3Å; H549-Y555 WeakPolarHBondContact NE2-CD1 3.48Å; H549-Y555 AromaticContact NE2-CE1 3.42Å; H549-Y555 WeakPolarHBondContact NE2-CE1 3.48Å; Y555-G557 PolarHBondContact O-N 2.58Å; Y555-E558 HydrophobicContact CE2-CG 4.43Å; Y555-E558 VanDerWaalsContact OH-CG 3.24Å; Y555-E558 WeakPolarHBondContact OH-CG 3.5Å; Y555-E558 PolarHBondContact OH-OE1 2.69Å; Y555-E558 PolarHBondContact OH-OE2 3.31Å
556	E	57.2	Low	68.3	Low	96 Å²	96	70.4 Å²	70.4	45%	0.449	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	3.1	-172.9	-72.6	-173.8	150.9	0	0	115.1
557	G	54.5	Low	67.3	Low	59 Å²	59	72.9 Å²	72.9	61%	0.608	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.3	-175.9	0	0	0	0	0	115.5	Y555	Y555-G557 PolarHBondContact O-N 2.58Å
558	E	47	Very low	66.5	Low	132 Å²	132	80.5 Å²	80.5	62%	0.617	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-32.8	-174.4	-89.8	177.9	-179.4	0	0	115.2	H549 Y555	H549-E558 IonicContact CE1-OE2 3.28Å; Y555-E558 HydrophobicContact CE2-CG 4.43Å; Y555-E558 VanDerWaalsContact OH-CG 3.24Å; Y555-E558 WeakPolarHBondContact OH-CG 3.5Å; Y555-E558 PolarHBondContact OH-OE1 2.69Å; Y555-E558 PolarHBondContact OH-OE2 3.31Å
559	K	40	Very low	66.2	Low	177 Å²	177	82.1 Å²	82.1	77%	0.77	42%	0.419	S	S	*	.	S	Bend	trans	-153.8	135.5	174.4	-77.5	-179.3	179.9	168.2	0	109.8	Q561	K559-Q561 PolarHBondContact O-N 3.08Å
560	E	35.8	Very low	66.1	Low	176 Å²	176	82.1 Å²	82.1	82%	0.822	42%	0.422	S	S	*	.			trans	-61.9	65.7	176.3	-65.1	-176.8	129.1	0	0	113.6	K562	E560-K562 PolarHBondContact O-N 3.19Å
561	Q	42.8	Very low	66	Low	99 Å²	99	82 Å²	82	46%	0.463	42%	0.422	S	S	.	.			trans	-87.6	84.1	164.4	-77.7	-169.5	-12.1	0	0	109.4	K559 Q563	K559-Q561 PolarHBondContact O-N 3.08Å; Q561-Q563 PolarHBondContact O-N 3.49Å
562	K	42.3	Very low	66	Low	173 Å²	173	85.4 Å²	85.4	75%	0.752	44%	0.442	S	S	*	.			trans	-68.9	-8.7	170.6	-78	-178.6	176.9	169.8	0	113.9	E560	E560-K562 PolarHBondContact O-N 3.19Å
563	Q	47.7	Very low	66.1	Low	169 Å²	169	85.9 Å²	85.9	79%	0.79	44%	0.444	S	S	*	.	S	Bend	trans	-92.9	121.5	177.4	-77.4	-179.8	-9.1	0	0	109.1	Q561 N565	Q561-Q563 PolarHBondContact O-N 3.49Å; Q563-N565 PolarHBondContact O-N 3.18Å
564	S	56	Low	66.2	Low	78 Å²	78	85.6 Å²	85.6	55%	0.545	44%	0.444	S	S	.	.			trans	-52.5	127.1	165.3	56.5	0	0	0	0	108.5	I566	S564-I566 PolarHBondContact O-N 2.97Å; S564-I566 PolarHBondContact OG-O 3.38Å
565	N	66.7	Low	66.6	Low	45 Å²	45	90.1 Å²	90.1	24%	0.241	47%	0.467	C	S	.	.	S	Bend	trans	-67.3	7.7	170.6	-67.2	-35.6	0	0	0	113.2	G552 Y554 Q563 R571 V572	G552-N565 PolarHBondContact O-ND2 3.46Å; Y554-N565 WeakPolarHBondContact CD2-ND2 3.03Å; Y554-N565 WeakPolarHBondContact CE2-ND2 3.49Å; Q563-N565 PolarHBondContact O-N 3.18Å; N565-R571 WeakPolarHBondContact O-CA 3.42Å; N565-V572 PolarHBondContact O-N 2.88Å
566	I	69.4	Low	67.3	Low	38 Å²	38	93.1 Å²	93.1	20%	0.195	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.4	175.6	-55.5	177.6	0	0	0	107.6	Q446 S564 V570 R571	Q446-I566 HydrophobicContact CG-CD1 4.42Å; Q446-I566 HydrophobicContact CG-CG2 4.37Å; S564-I566 PolarHBondContact O-N 2.97Å; S564-I566 PolarHBondContact OG-O 3.38Å; I566-V570 CarbonylContact C-O 3.58Å; I566-V570 VanDerWaalsContact CA-O 3.28Å; I566-V570 WeakPolarHBondContact CA-O 3.3Å; I566-R571 HydrophobicContact CG1-CB 4.18Å; I566-R571 HydrophobicContact CG1-CG 4.46Å
567	I	70.3	Confident	68.6	Low	112 Å²	112	92.6 Å²	92.6	57%	0.574	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	123.7	172.9	-58.9	172.7	0	0	0	106.8	G569 V570	I567-G569 PolarHBondContact O-N 3.33Å; I567-G569 VanDerWaalsContact O-N 3.16Å; I567-V570 PolarHBondContact N-O 2.99Å; I567-V570 WeakPolarHBondContact O-CB 3.44Å; I567-V570 PolarHBondContact O-N 3.5Å
568	N	77	Confident	70.1	Confident	165 Å²	165	91.8 Å²	91.8	88%	0.882	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.8	179.2	-61.1	-24.7	0	0	0	114.2	V570	N568-V570 VanDerWaalsContact C-N 3.32Å; N568-V570 PolarHBondContact O-N 3.03Å
569	G	83.8	Confident	72	Confident	36 Å²	36	93.2 Å²	93.2	37%	0.371	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	13.5	-178.8	0	0	0	0	0	114.7	Q446 I567	Q446-G569 WeakPolarHBondContact CB-O 3.34Å; Q446-G569 WeakPolarHBondContact CG-O 3.19Å; Q446-G569 PolarHBondContact N-O 3.28Å; I567-G569 PolarHBondContact O-N 3.33Å; I567-G569 VanDerWaalsContact O-N 3.16Å
570	V	88.8	Confident	74.4	Confident	43 Å²	43	85.4 Å²	85.4	26%	0.261	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.2	177.9	-177.5	0	0	0	0	109.7	I445 I566 I567 N568	I445-V570 HydrophobicContact CG2-CG2 4.14Å; I566-V570 CarbonylContact C-O 3.58Å; I566-V570 VanDerWaalsContact CA-O 3.28Å; I566-V570 WeakPolarHBondContact CA-O 3.3Å; I567-V570 PolarHBondContact N-O 2.99Å; I567-V570 WeakPolarHBondContact O-CB 3.44Å; I567-V570 PolarHBondContact O-N 3.5Å; N568-V570 VanDerWaalsContact C-N 3.32Å; N568-V570 PolarHBondContact O-N 3.03Å
571	R	89.9	Confident	77	Confident	7 Å²	7	77.4 Å²	77.4	3%	0.026	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.2	176.2	-177.7	170.2	61.9	-118.7	-3.3	110.3	S443 I444 Q446 S526 L551 N565 I566	S443-R571 CarbonylContact C-O 3.56Å; S443-R571 VanDerWaalsContact CA-O 3.23Å; S443-R571 WeakPolarHBondContact CA-O 3.45Å; S443-R571 WeakPolarHBondContact CB-O 3.12Å; I444-R571 PolarHBondContact N-O 3.49Å; I444-R571 PolarHBondContact O-N 3.26Å; Q446-R571 VanDerWaalsContact CD-NH1 3.31Å; S526-R571 PolarHBondContact OG-NH2 2.93Å; S526-R571 VanDerWaalsContact OG-NH2 3.1Å; L551-R571 WeakPolarHBondContact O-CD 3.44Å; L551-R571 PolarHBondContact O-NE 3.4Å; N565-R571 WeakPolarHBondContact O-CA 3.42Å; I566-R571 HydrophobicContact CG1-CB 4.18Å; I566-R571 HydrophobicContact CG1-CG 4.46Å
572	V	91.4	Very high	79.2	Confident	70 Å²	70	76.4 Å²	76.4	42%	0.424	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.1	172.9	-176.1	0	0	0	0	109.7	G552 N565	G552-V572 VanDerWaalsContact CA-O 3.29Å; G552-V572 WeakPolarHBondContact CA-O 3.34Å; N565-V572 PolarHBondContact O-N 2.88Å
573	L	91.7	Very high	81.4	Confident	14 Å²	14	76 Å²	76	7%	0.073	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-70	157.6	176.8	-66.8	176.6	0	0	0	111.2	I434 Q442 I444	I434-L573 HydrophobicContact CG2-CD1 4.1Å; Q442-L573 VanDerWaalsContact O-CB 3.29Å; Q442-L573 WeakPolarHBondContact O-CB 3.31Å; Q442-L573 WeakPolarHBondContact O-CG 3.35Å; Q442-L573 PolarHBondContact O-N 2.96Å; I444-L573 HydrophobicContact CG1-CD1 4.49Å; I444-L573 HydrophobicContact CG1-CD2 3.65Å; I444-L573 HydrophobicContact CG1-CG 4.17Å
574	G	90	Very high	83.3	Confident	5 Å²	5	68.1 Å²	68.1	5%	0.052	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-81.7	166	176.6	0	0	0	0	0	113.8	H549 R550 Y554	H549-G574 VanDerWaalsContact O-CA 3.27Å; H549-G574 WeakPolarHBondContact O-CA 3.22Å; R550-G574 PolarHBondContact O-N 2.75Å; Y554-G574 WeakPolarHBondContact OH-CA 3.17Å
575	E	86.5	Confident	84.6	Confident	161 Å²	161	73.6 Å²	73.6	75%	0.752	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-54.8	143.9	-174.8	-69.4	-176.2	175.6	0	0	114.2	R550 T577	R550-E575 WeakPolarHBondContact CD-O 3.44Å; R550-E575 PolarHBondContact NE-O 3.34Å; R550-E575 VanDerWaalsContact NE-O 3.14Å; E575-T577 PolarHBondContact O-N 2.84Å
576	N	85.3	Confident	85.5	Confident	100 Å²	100	75.1 Å²	75.1	54%	0.535	38%	0.384	S	S	.	.			trans	-77.6	85.5	175.3	-165.7	1.1	0	0	0	114.1	R550 G578	R550-N576 VanDerWaalsContact CZ-OD1 3.29Å; R550-N576 PolarHBondContact NH1-OD1 2.83Å; R550-N576 VanDerWaalsContact NH2-CA 3.31Å; R550-N576 PolarHBondContact NH2-OD1 3.26Å; N576-G578 PolarHBondContact O-N 3.25Å; N576-G578 VanDerWaalsContact O-N 3.16Å; N576-G578 PolarHBondContact OD1-N 3.07Å
577	T	83.9	Confident	86.3	Confident	85 Å²	85	77 Å²	77	52%	0.521	39%	0.394	S	S	.	.			trans	-80.6	22.4	176.4	60.8	0	0	0	0	114.8	R546 R550 E575	R546-T577 PolarHBondContact NH2-O 3.12Å; R550-T577 VanDerWaalsContact NH1-N 3.1Å; E575-T577 PolarHBondContact O-N 2.84Å
578	G	85.4	Confident	87.2	Confident	42 Å²	42	75.1 Å²	75.1	43%	0.433	38%	0.384	S	S	.	.	S	Bend	trans	82.4	-153.1	-179.9	0	0	0	0	0	114.6	R550 N576 F580	R550-G578 PolarHBondContact NH1-O 2.82Å; N576-G578 PolarHBondContact O-N 3.25Å; N576-G578 VanDerWaalsContact O-N 3.16Å; N576-G578 PolarHBondContact OD1-N 3.07Å; G578-F580 PolarHBondContact O-N 3.46Å
579	K	87	Confident	87.8	Confident	163 Å²	163	69.8 Å²	69.8	71%	0.709	36%	0.355	S	S	*	.			trans	-61	134.3	-175.3	-68.1	-174.6	-179.7	179.7	0	111.6	R546 L581	R546-K579 VanDerWaalsContact CZ-O 3.23Å; R546-K579 PolarHBondContact NH1-O 3.3Å; R546-K579 PolarHBondContact NH2-O 3.44Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.19Å
580	F	90.3	Very high	88	Confident	12 Å²	12	71.9 Å²	71.9	5%	0.053	35%	0.354	C	S	.	.	S	Bend	trans	-55	-47.3	175.9	177	-112.5	0	0	0	112.6	I426 L430 L543 R546 L547 G578	I426-F580 HydrophobicContact CB-CE1 4.28Å; I426-F580 HydrophobicContact CG2-CD1 4.36Å; I426-F580 HydrophobicContact CG2-CE1 3.72Å; I426-F580 HydrophobicContact CG2-CZ 3.97Å; L430-F580 HydrophobicContact CD2-CB 4.27Å; L430-F580 HydrophobicContact CD2-CD2 3.8Å; L430-F580 HydrophobicContact CD2-CG 4.25Å; L543-F580 HydrophobicContact CB-CZ 3.99Å; L543-F580 HydrophobicContact CD2-CE1 4.1Å; L543-F580 HydrophobicContact CD2-CE2 4.19Å; L543-F580 HydrophobicContact CD2-CZ 3.83Å; L543-F580 HydrophobicContact CG-CZ 4.47Å; L543-F580 WeakPolarHBondContact O-CE2 3.42Å; R546-F580 HydrophobicContact CG-CD2 4.47Å; R546-F580 PolarHBondContact NH1-O 2.93Å; L547-F580 HydrophobicContact CB-CE2 3.88Å; L547-F580 HydrophobicContact CB-CZ 4.37Å; G578-F580 PolarHBondContact O-N 3.46Å
581	L	91.1	Very high	88	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	36%	0.36	C	S	.	.	S	Bend	trans	-150.7	140.4	173.1	-177.2	63.3	0	0	0	107.5	E389 L392 I418 L422 V423 L543 K579	E389-L581 HydrophobicContact CG-CD1 4.07Å; L392-L581 HydrophobicContact CD1-CD1 4.37Å; L392-L581 HydrophobicContact CD2-CD1 4.23Å; L392-L581 HydrophobicContact CD2-CD2 3.61Å; I418-L581 HydrophobicContact CG2-CD2 3.84Å; L422-L581 HydrophobicContact CB-CD2 3.89Å; L422-L581 HydrophobicContact CD1-CD2 4.4Å; V423-L581 HydrophobicContact CG2-CB 4.14Å; V423-L581 HydrophobicContact CG2-CD2 3.7Å; V423-L581 HydrophobicContact CG2-CG 3.91Å; L543-L581 HydrophobicContact CD2-CD1 4.49Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.19Å
582	R	88.2	Confident	87.8	Confident	78 Å²	78	78.6 Å²	78.6	29%	0.294	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-71.4	146.9	174.4	62.5	170.3	165.7	169.1	-8.5	110	E389 I584	E389-R582 IonicContact OE1-CZ 2.84Å; E389-R582 IonicContact OE1-NE 2.73Å; E389-R582 PolarHBondContact OE1-NE 2.88Å; E389-R582 IonicContact OE1-NH2 3.4Å; E389-R582 PolarHBondContact OE1-NH2 3.48Å; E389-R582 IonicContact OE2-NH2 3.17Å; R582-I584 PolarHBondContact O-N 2.87Å
583	R	89.5	Confident	87.6	Confident	164 Å²	164	79.2 Å²	79.2	62%	0.619	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-67.3	130.1	168.1	-172.2	174.1	-177.8	154.4	-1.6	108.5	N419 V423	N419-R583 WeakPolarHBondContact OD1-CG 3.21Å; V423-R583 HydrophobicContact CG1-CB 4.35Å
584	I	88.4	Confident	87.2	Confident	3 Å²	3	84.7 Å²	84.7	2%	0.015	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-83.6	134.1	175	-55.2	177.8	0	0	0	107.9	L375 L376 L392 R415 I418 N419 R582	L375-I584 WeakPolarHBondContact O-CG2 3.28Å; L376-I584 HydrophobicContact CD2-CD1 4.42Å; L392-I584 HydrophobicContact CD1-CD1 4.05Å; R415-I584 HydrophobicContact CB-CG2 4.37Å; R415-I584 HydrophobicContact CG-CG2 3.77Å; I418-I584 HydrophobicContact CB-CD1 4.1Å; I418-I584 HydrophobicContact CD1-CD1 3.91Å; I418-I584 HydrophobicContact CG2-CD1 3.62Å; I418-I584 HydrophobicContact CG2-CG1 4.44Å; N419-I584 PolarHBondContact ND2-O 2.85Å; N419-I584 PolarHBondContact OD1-N 3.4Å; R582-I584 PolarHBondContact O-N 2.87Å
585	K	81.6	Confident	87	Confident	194 Å²	194	91.9 Å²	91.9	84%	0.843	44%	0.438	S	S	*	.			trans	-81.3	0	179.4	-62.7	-178.5	-172.1	166	0	113.6	D378 R415	D378-K585 HydrophobicContact CB-CD 4.44Å; D378-K585 VanDerWaalsContact OD1-CB 3.23Å; D378-K585 WeakPolarHBondContact OD1-CB 3.35Å; D378-K585 WeakPolarHBondContact OD1-CG 3.49Å; D378-K585 PolarHBondContact OD1-N 2.86Å; D378-K585 VanDerWaalsContact OD2-CD 3.24Å; D378-K585 WeakPolarHBondContact OD2-CD 3.44Å; D378-K585 WeakPolarHBondContact OD2-CE 3.05Å; D378-K585 WeakPolarHBondContact OD2-CG 3.27Å; D378-K585 IonicContact OD2-NZ 2.86Å; R415-K585 PolarHBondContact NH1-O 3.26Å

Retrieved 585 of 585 residues in 1016.4 ms (Link to these results)

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