A0A3Q0KQM9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4EUH8), UniProt , Accession A0A3Q0KQM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 591 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	46.1	Very low	49.8	Very low	244 Å²	244	169.5 Å²	169.5	100%	1.202	83%	0.831	S	S	*	*				0	107	0	-78.5	178.1	171.1	0	0	107
2	E	47.3	Very low	49.9	Very low	189 Å²	189	160.1 Å²	160.1	88%	0.883	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.3	139.6	172.8	-72.3	176.5	149	0	0	109.6
3	P	57	Low	49.8	Very low	114 Å²	114	155.3 Å²	155.3	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.4	143.3	173.6	28.3	-31.6	0	0	0	109.9
4	P	59	Low	49.6	Very low	110 Å²	110	156.6 Å²	156.6	71%	0.714	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62	151.8	179.5	26.1	-33.1	0	0	0	111.1	R6	P4-R6 PolarHBondContact O-N 3.12Å; P4-R6 VanDerWaalsContact O-N 3.16Å
5	P	57	Low	49.6	Very low	126 Å²	126	151.1 Å²	151.1	82%	0.818	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.1	-178.8	22.8	-31.5	0	0	0	110	L7	P5-L7 PolarHBondContact O-N 3.1Å
6	R	48.6	Very low	49.8	Very low	207 Å²	207	153.4 Å²	153.4	78%	0.781	77%	0.77	S	S	*	*			trans	-63.7	105.4	174.4	-74	-179.2	176.2	173.3	-1.1	108.7	P4 Y8	P4-R6 PolarHBondContact O-N 3.12Å; P4-R6 VanDerWaalsContact O-N 3.16Å; R6-Y8 HydrophobicContact CB-CE2 4.33Å; R6-Y8 WeakPolarHBondContact O-CD2 3.27Å; R6-Y8 PolarHBondContact O-N 2.75Å
7	L	44.4	Very low	50	Low	166 Å²	166	150.5 Å²	150.5	87%	0.869	77%	0.767	S	S	*	*			trans	-59.8	101.3	160.9	-90.9	148	0	0	0	108.3	P5 T9	P5-L7 PolarHBondContact O-N 3.1Å; L7-T9 PolarHBondContact O-N 2.68Å
8	Y	45.6	Very low	50	Low	197 Å²	197	152 Å²	152	77%	0.773	76%	0.762	S	S	*	*			trans	-69.1	98.7	167.7	-77.3	-89.4	0	0	0	108.2	R6 Y10	R6-Y8 HydrophobicContact CB-CE2 4.33Å; R6-Y8 WeakPolarHBondContact O-CD2 3.27Å; R6-Y8 PolarHBondContact O-N 2.75Å; Y8-Y10 PolarHBondContact O-N 3.38Å; Y8-Y10 VanDerWaalsContact O-N 3.14Å
9	T	45.9	Very low	50.2	Low	121 Å²	121	146.2 Å²	146.2	74%	0.742	74%	0.737	S	S	*	*			trans	-71	103	168.4	21.6	0	0	0	0	108.3	L7 K11	L7-T9 PolarHBondContact O-N 2.68Å; T9-K11 VanDerWaalsContact C-N 3.29Å; T9-K11 PolarHBondContact O-N 3.42Å
10	Y	49.6	Very low	50.7	Low	194 Å²	194	144.7 Å²	144.7	76%	0.761	73%	0.731	S	S	*	*			trans	-71	83.4	177.3	-148.3	-92.7	0	0	0	109.7	Y8 G12 L13	Y8-Y10 PolarHBondContact O-N 3.38Å; Y8-Y10 VanDerWaalsContact O-N 3.14Å; Y10-G12 PolarHBondContact O-N 2.72Å; Y10-L13 HydrophobicContact CD1-CD1 4.14Å; Y10-L13 HydrophobicContact CE1-CD1 3.98Å
11	K	47.5	Very low	51.6	Low	197 Å²	197	141.4 Å²	141.4	86%	0.857	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	13.9	179.1	-94.5	-176.2	173.9	-179.4	0	114.7	T9	T9-K11 VanDerWaalsContact C-N 3.29Å; T9-K11 PolarHBondContact O-N 3.42Å
12	G	51.4	Low	52.8	Low	56 Å²	56	133.8 Å²	133.8	58%	0.577	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-9.3	-164.5	0	0	0	0	0	118.2	Y10	Y10-G12 PolarHBondContact O-N 2.72Å
13	L	48.3	Very low	54.3	Low	98 Å²	98	128.7 Å²	128.7	51%	0.513	66%	0.661	S	S	.	*	S	Bend	trans	-112.2	-11.5	-169.1	-100.5	144.6	0	0	0	115.7	Y10	Y10-L13 HydrophobicContact CD1-CD1 4.14Å; Y10-L13 HydrophobicContact CE1-CD1 3.98Å
14	F	46.3	Very low	55.4	Low	174 Å²	174	128.4 Å²	128.4	76%	0.763	65%	0.653	S	S	*	*			trans	-132.2	77.3	-178.3	-61.7	-79.5	0	0	0	111
15	T	49.7	Very low	56.5	Low	73 Å²	73	128.7 Å²	128.7	45%	0.448	64%	0.642	S	S	.	*			trans	-88	137.3	152.5	47.2	0	0	0	0	107.6	S17 R18 S19	T15-S17 PolarHBondContact O-N 2.97Å; T15-R18 PolarHBondContact O-N 2.71Å; T15-R18 WeakPolarHBondContact OG1-CB 3.36Å; T15-S19 PolarHBondContact O-N 2.89Å
16	E	52.7	Low	57.8	Low	189 Å²	189	127 Å²	127	88%	0.883	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-24.6	-176.8	-74.6	-179.6	151.8	0	0	113.7	S19	E16-S19 PolarHBondContact O-OG 3.44Å
17	S	52.8	Low	59.7	Low	103 Å²	103	121.3 Å²	121.3	72%	0.72	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-14.5	176.2	55.7	0	0	0	0	115.6	T15	T15-S17 PolarHBondContact O-N 2.97Å
18	R	50.2	Low	61.8	Low	178 Å²	178	116.8 Å²	116.8	67%	0.672	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-20.9	178.6	-78.7	-175.4	168.8	-179.7	-2	114.1	T15 L20 D21 L22	T15-R18 PolarHBondContact O-N 2.71Å; T15-R18 WeakPolarHBondContact OG1-CB 3.36Å; R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 2.88Å; R18-D21 PolarHBondContact O-N 2.88Å; R18-L22 PolarHBondContact O-N 2.9Å; R18-L22 VanDerWaalsContact O-N 3.12Å
19	S	54.9	Low	64	Low	42 Å²	42	111.9 Å²	111.9	29%	0.294	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-35.4	176.5	59.9	0	0	0	0	111.9	T15 E16 T23	T15-S19 PolarHBondContact O-N 2.89Å; E16-S19 PolarHBondContact O-OG 3.44Å; S19-T23 WeakPolarHBondContact O-CB 3.37Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.89Å
20	L	60.5	Low	66.2	Low	115 Å²	115	110.7 Å²	110.7	60%	0.602	58%	0.575	S	S	*	*	H	α-helix	trans	-68.3	-40.4	177.6	-135.1	151.5	0	0	0	111.2	R18 T23 L24	R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 2.88Å; L20-T23 PolarHBondContact O-N 2.65Å; L20-L24 HydrophobicContact CD2-CD1 4.06Å; L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 PolarHBondContact O-N 3.07Å
21	D	68.5	Low	68.2	Low	77 Å²	77	106.8 Å²	106.8	41%	0.412	57%	0.567	S	S	.	*	H	α-helix	trans	-68.4	-38.7	178.4	-166.4	33.1	0	0	0	112.5	R18 K25	R18-D21 PolarHBondContact O-N 2.88Å; D21-K25 WeakPolarHBondContact O-CB 3.08Å; D21-K25 WeakPolarHBondContact O-CG 2.84Å; D21-K25 PolarHBondContact O-N 3.46Å; D21-K25 WeakPolarHBondContact OD1-CE 3.33Å; D21-K25 IonicContact OD1-NZ 3.71Å; D21-K25 WeakPolarHBondContact OD2-CE 3.32Å; D21-K25 IonicContact OD2-NZ 2.78Å; D21-K25 PolarHBondContact OD2-NZ 3.14Å
22	L	72.5	Confident	70.4	Confident	84 Å²	84	101.1 Å²	101.1	44%	0.44	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-46.1	173.3	-170.1	78.2	0	0	0	111.1	R18 L24 K25 I26	R18-L22 PolarHBondContact O-N 2.9Å; R18-L22 VanDerWaalsContact O-N 3.12Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.76Å; L22-K25 PolarHBondContact O-N 2.99Å; L22-I26 HydrophobicContact CD2-CD1 4.43Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.36Å; L22-I26 PolarHBondContact O-N 3.29Å
23	T	77.3	Confident	72.4	Confident	81 Å²	81	104.3 Å²	104.3	50%	0.497	55%	0.55	S	S	.	.	H	α-helix	trans	-62.5	-43.5	178.9	-51.8	0	0	0	0	110.7	S19 L20 K25 I26 V27	S19-T23 WeakPolarHBondContact O-CB 3.37Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.89Å; L20-T23 PolarHBondContact O-N 2.65Å; T23-K25 PolarHBondContact O-N 2.93Å; T23-I26 PolarHBondContact O-N 2.93Å; T23-V27 VanDerWaalsContact O-CG2 3.3Å; T23-V27 WeakPolarHBondContact O-CG2 3.42Å; T23-V27 PolarHBondContact O-N 2.88Å
24	L	81	Confident	74.6	Confident	109 Å²	109	104.3 Å²	104.3	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-64.8	-38.3	178.6	-140	116.9	0	0	0	112.1	L20 L22 S28	L20-L24 HydrophobicContact CD2-CD1 4.06Å; L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 PolarHBondContact O-N 3.07Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.76Å; L24-S28 WeakPolarHBondContact O-CB 3.23Å; L24-S28 PolarHBondContact O-N 2.74Å
25	K	81.6	Confident	76.9	Confident	115 Å²	115	99.8 Å²	99.8	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-43.2	173.9	-76.7	171.3	-170.6	159.4	0	112.1	D21 L22 T23 S28 T29	D21-K25 WeakPolarHBondContact O-CB 3.08Å; D21-K25 WeakPolarHBondContact O-CG 2.84Å; D21-K25 PolarHBondContact O-N 3.46Å; D21-K25 WeakPolarHBondContact OD1-CE 3.33Å; D21-K25 IonicContact OD1-NZ 3.71Å; D21-K25 WeakPolarHBondContact OD2-CE 3.32Å; D21-K25 IonicContact OD2-NZ 2.78Å; D21-K25 PolarHBondContact OD2-NZ 3.14Å; L22-K25 PolarHBondContact O-N 2.99Å; T23-K25 PolarHBondContact O-N 2.93Å; K25-S28 PolarHBondContact O-N 3.18Å; K25-T29 WeakPolarHBondContact O-CB 3.09Å; K25-T29 PolarHBondContact O-N 2.59Å; K25-T29 PolarHBondContact O-OG1 3.19Å
26	I	85.1	Confident	79	Confident	91 Å²	91	102 Å²	102	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-61.2	-49.1	176	-68.5	166.3	0	0	0	109.9	L22 T23 S28 T29 I30	L22-I26 HydrophobicContact CD2-CD1 4.43Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.36Å; L22-I26 PolarHBondContact O-N 3.29Å; T23-I26 PolarHBondContact O-N 2.93Å; I26-S28 PolarHBondContact O-N 3.43Å; I26-T29 PolarHBondContact O-N 3.04Å; I26-I30 HydrophobicContact CG2-CD1 3.77Å; I26-I30 VanDerWaalsContact O-CG1 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.33Å; I26-I30 PolarHBondContact O-N 2.93Å
27	V	88.9	Confident	80.9	Confident	87 Å²	87	96.6 Å²	96.6	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-45	177.8	172.3	0	0	0	0	111.4	T23 T29 I30 L31	T23-V27 VanDerWaalsContact O-CG2 3.3Å; T23-V27 WeakPolarHBondContact O-CG2 3.42Å; T23-V27 PolarHBondContact O-N 2.88Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 3.4Å; V27-I30 PolarHBondContact O-N 2.78Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 2.97Å
28	S	88.1	Confident	82.7	Confident	71 Å²	71	99 Å²	99	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-39.9	177.1	-177.7	0	0	0	0	112.4	L24 K25 I26 L31 S32	L24-S28 WeakPolarHBondContact O-CB 3.23Å; L24-S28 PolarHBondContact O-N 2.74Å; K25-S28 PolarHBondContact O-N 3.18Å; I26-S28 PolarHBondContact O-N 3.43Å; S28-L31 PolarHBondContact O-N 3.19Å; S28-S32 WeakPolarHBondContact O-CB 3.22Å; S28-S32 PolarHBondContact O-N 3.29Å
29	T	90.4	Very high	84.6	Confident	95 Å²	95	95.3 Å²	95.3	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-68.2	-42.2	178.1	-48.6	0	0	0	0	111.3	K25 I26 V27 S32 F33	K25-T29 WeakPolarHBondContact O-CB 3.09Å; K25-T29 PolarHBondContact O-N 2.59Å; K25-T29 PolarHBondContact O-OG1 3.19Å; I26-T29 PolarHBondContact O-N 3.04Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 3.4Å; T29-S32 PolarHBondContact O-N 2.91Å; T29-F33 WeakPolarHBondContact O-CB 3.27Å; T29-F33 PolarHBondContact O-N 2.83Å
30	I	92.3	Very high	86.1	Confident	96 Å²	96	96.8 Å²	96.8	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-45.3	174.7	-67	167.8	0	0	0	110.3	I26 V27 F33 L34	I26-I30 HydrophobicContact CG2-CD1 3.77Å; I26-I30 VanDerWaalsContact O-CG1 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.33Å; I26-I30 PolarHBondContact O-N 2.93Å; V27-I30 PolarHBondContact O-N 2.78Å; I30-F33 PolarHBondContact O-N 3.24Å; I30-L34 HydrophobicContact CG2-CD1 4.06Å; I30-L34 HydrophobicContact CG2-CG 4.44Å; I30-L34 WeakPolarHBondContact O-CB 3.43Å; I30-L34 WeakPolarHBondContact O-CG 3.5Å; I30-L34 PolarHBondContact O-N 2.71Å
31	L	92.9	Very high	87.2	Confident	112 Å²	112	94 Å²	94	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-44.3	178.4	-162.7	84.8	0	0	0	111.4	V27 S28 F33 L34 V35	V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 2.97Å; S28-L31 PolarHBondContact O-N 3.19Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-F33 PolarHBondContact O-N 2.97Å; L31-L34 PolarHBondContact O-N 3.36Å; L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.29Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.16Å
32	S	92.7	Very high	87.7	Confident	77 Å²	77	97.5 Å²	97.5	54%	0.538	51%	0.513	S	S	.	.	H	α-helix	trans	-56.9	-45.9	173.9	159.2	0	0	0	0	111.7	S28 T29 V35 F36	S28-S32 WeakPolarHBondContact O-CB 3.22Å; S28-S32 PolarHBondContact O-N 3.29Å; T29-S32 PolarHBondContact O-N 2.91Å; S32-V35 PolarHBondContact O-N 2.84Å; S32-F36 WeakPolarHBondContact O-CB 3.32Å; S32-F36 PolarHBondContact O-N 3.38Å
33	F	94.1	Very high	88	Confident	123 Å²	123	103.2 Å²	103.2	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-42	178.3	-175.2	-104.6	0	0	0	112	T29 I30 L31 F36 L37	T29-F33 WeakPolarHBondContact O-CB 3.27Å; T29-F33 PolarHBondContact O-N 2.83Å; I30-F33 PolarHBondContact O-N 3.24Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-F33 PolarHBondContact O-N 2.97Å; F33-F36 PolarHBondContact O-N 2.75Å; F33-L37 HydrophobicContact CD1-CD1 3.84Å; F33-L37 HydrophobicContact CD1-CG 4.3Å; F33-L37 HydrophobicContact CE1-CD1 3.39Å; F33-L37 HydrophobicContact CE1-CG 3.98Å; F33-L37 HydrophobicContact CZ-CD1 3.95Å; F33-L37 HydrophobicContact CZ-CD2 4.28Å; F33-L37 HydrophobicContact CZ-CG 4.14Å; F33-L37 WeakPolarHBondContact O-CG 3.45Å; F33-L37 PolarHBondContact O-N 3.23Å
34	L	95.1	Very high	87.8	Confident	98 Å²	98	105.8 Å²	105.8	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.1	-73.2	173.8	0	0	0	112	I30 L31 F36 L37 F38	I30-L34 HydrophobicContact CG2-CD1 4.06Å; I30-L34 HydrophobicContact CG2-CG 4.44Å; I30-L34 WeakPolarHBondContact O-CB 3.43Å; I30-L34 WeakPolarHBondContact O-CG 3.5Å; I30-L34 PolarHBondContact O-N 2.71Å; L31-L34 PolarHBondContact O-N 3.36Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 3.23Å; L34-L37 PolarHBondContact O-N 3.36Å; L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 PolarHBondContact O-N 2.79Å
35	V	93.9	Very high	87	Confident	79 Å²	79	104.8 Å²	104.8	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-42	174.9	170.9	0	0	0	0	110.6	L31 S32 F38 L39	L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.29Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.16Å; S32-V35 PolarHBondContact O-N 2.84Å; V35-F38 PolarHBondContact O-N 2.95Å; V35-L39 HydrophobicContact CG1-CD1 4.11Å; V35-L39 HydrophobicContact CG1-CG 4.44Å; V35-L39 WeakPolarHBondContact O-CG 3.18Å; V35-L39 PolarHBondContact O-N 3.06Å
36	F	93.3	Very high	86	Confident	119 Å²	119	106 Å²	106	52%	0.522	55%	0.545	S	S	.	.	H	α-helix	trans	-63	-44.3	176.3	-178.3	-102.5	0	0	0	112.2	S32 F33 L34 F38 L39 L40	S32-F36 WeakPolarHBondContact O-CB 3.32Å; S32-F36 PolarHBondContact O-N 3.38Å; F33-F36 PolarHBondContact O-N 2.75Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 3.23Å; F36-F38 VanDerWaalsContact C-N 3.32Å; F36-F38 PolarHBondContact O-N 3.17Å; F36-L39 PolarHBondContact O-N 3.13Å; F36-L40 HydrophobicContact CD1-CD1 3.75Å; F36-L40 HydrophobicContact CE1-CD1 3.21Å; F36-L40 HydrophobicContact CE1-CG 4.18Å; F36-L40 HydrophobicContact CE2-CD1 4.49Å; F36-L40 HydrophobicContact CZ-CD1 3.65Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 PolarHBondContact O-N 3.39Å
37	L	93.5	Very high	84.9	Confident	76 Å²	76	106.6 Å²	106.6	40%	0.398	54%	0.544	S	S	.	.	H	α-helix	trans	-61.1	-40.8	172.7	-74.4	179.4	0	0	0	111.7	F33 L34 L39 L40 A41	F33-L37 HydrophobicContact CD1-CD1 3.84Å; F33-L37 HydrophobicContact CD1-CG 4.3Å; F33-L37 HydrophobicContact CE1-CD1 3.39Å; F33-L37 HydrophobicContact CE1-CG 3.98Å; F33-L37 HydrophobicContact CZ-CD1 3.95Å; F33-L37 HydrophobicContact CZ-CD2 4.28Å; F33-L37 HydrophobicContact CZ-CG 4.14Å; F33-L37 WeakPolarHBondContact O-CG 3.45Å; F33-L37 PolarHBondContact O-N 3.23Å; L34-L37 PolarHBondContact O-N 3.36Å; L37-L39 PolarHBondContact O-N 2.81Å; L37-L40 PolarHBondContact O-N 2.82Å; L37-A41 WeakPolarHBondContact O-CB 3.43Å; L37-A41 PolarHBondContact O-N 2.97Å
38	F	90.7	Very high	83.9	Confident	154 Å²	154	111 Å²	111	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-65.2	-38.3	177.2	-139.4	-85.4	0	0	0	111.9	L34 V35 F36 W42	L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 PolarHBondContact O-N 2.79Å; V35-F38 PolarHBondContact O-N 2.95Å; F36-F38 VanDerWaalsContact C-N 3.32Å; F36-F38 PolarHBondContact O-N 3.17Å; F38-W42 VanDerWaalsContact O-CB 3.25Å; F38-W42 WeakPolarHBondContact O-CB 3.24Å; F38-W42 PolarHBondContact O-N 2.78Å
39	L	90.2	Very high	83.2	Confident	101 Å²	101	111.3 Å²	111.3	53%	0.529	55%	0.55	S	S	.	.	H	α-helix	trans	-70.7	-38.2	175.9	-72.6	172.9	0	0	0	112.6	V35 F36 L37 R43	V35-L39 HydrophobicContact CG1-CD1 4.11Å; V35-L39 HydrophobicContact CG1-CG 4.44Å; V35-L39 WeakPolarHBondContact O-CG 3.18Å; V35-L39 PolarHBondContact O-N 3.06Å; F36-L39 PolarHBondContact O-N 3.13Å; L37-L39 PolarHBondContact O-N 2.81Å; L39-R43 WeakPolarHBondContact O-CB 3.43Å; L39-R43 PolarHBondContact O-N 3.25Å
40	L	86.5	Confident	82.9	Confident	72 Å²	72	111 Å²	111	38%	0.377	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-48.5	171.6	-88.1	168.5	0	0	0	110.8	F36 L37 W42 R43 I44	F36-L40 HydrophobicContact CD1-CD1 3.75Å; F36-L40 HydrophobicContact CE1-CD1 3.21Å; F36-L40 HydrophobicContact CE1-CG 4.18Å; F36-L40 HydrophobicContact CE2-CD1 4.49Å; F36-L40 HydrophobicContact CZ-CD1 3.65Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 PolarHBondContact O-N 3.39Å; L37-L40 PolarHBondContact O-N 2.82Å; L40-W42 VanDerWaalsContact C-N 3.32Å; L40-W42 PolarHBondContact O-N 3.06Å; L40-R43 PolarHBondContact O-N 3.29Å; L40-I44 WeakPolarHBondContact O-CB 3.17Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 2.99Å
41	A	82.9	Confident	82.6	Confident	57 Å²	57	110.2 Å²	110.2	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-58.8	-43.2	175.5	0	0	0	0	0	110.9	L37 I44 S45	L37-A41 WeakPolarHBondContact O-CB 3.43Å; L37-A41 PolarHBondContact O-N 2.97Å; A41-I44 PolarHBondContact O-N 3.04Å; A41-S45 WeakPolarHBondContact O-CA 3.46Å; A41-S45 WeakPolarHBondContact O-CB 3.48Å; A41-S45 PolarHBondContact O-N 3.23Å
42	W	79.9	Confident	82.2	Confident	151 Å²	151	105 Å²	105	57%	0.572	52%	0.515	S	S	*	.	H	α-helix	trans	-60.1	-51	172.7	-171.2	-34	0	0	0	110.8	F38 L40 I44 S45 K46	F38-W42 VanDerWaalsContact O-CB 3.25Å; F38-W42 WeakPolarHBondContact O-CB 3.24Å; F38-W42 PolarHBondContact O-N 2.78Å; L40-W42 VanDerWaalsContact C-N 3.32Å; L40-W42 PolarHBondContact O-N 3.06Å; W42-I44 VanDerWaalsContact C-N 3.32Å; W42-I44 PolarHBondContact O-N 3.09Å; W42-S45 CarbonylContact O-C 3.52Å; W42-S45 WeakPolarHBondContact O-CA 3.31Å; W42-S45 WeakPolarHBondContact O-CB 3.4Å; W42-S45 PolarHBondContact O-N 3.1Å; W42-S45 VanDerWaalsContact O-N 3.11Å; W42-K46 PolarHBondContact O-N 2.99Å
43	R	78.9	Confident	82	Confident	204 Å²	204	104 Å²	104	77%	0.77	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-40.6	-179.9	-89.9	-169.6	174.2	179.6	-0.6	112.6	L39 L40 S45 K46	L39-R43 WeakPolarHBondContact O-CB 3.43Å; L39-R43 PolarHBondContact O-N 3.25Å; L40-R43 PolarHBondContact O-N 3.29Å; R43-S45 VanDerWaalsContact C-N 3.35Å; R43-K46 PolarHBondContact O-N 2.91Å
44	I	72.1	Confident	81.7	Confident	135 Å²	135	102.5 Å²	102.5	69%	0.692	50%	0.502	S	S	*	.	H	α-helix	trans	-69.9	-36.5	175.3	-64.5	165.6	0	0	0	110.2	L40 A41 W42 K46	L40-I44 WeakPolarHBondContact O-CB 3.17Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 2.99Å; A41-I44 PolarHBondContact O-N 3.04Å; W42-I44 VanDerWaalsContact C-N 3.32Å; W42-I44 PolarHBondContact O-N 3.09Å; I44-K46 VanDerWaalsContact C-N 3.27Å; I44-K46 PolarHBondContact O-N 3.33Å
45	S	63.7	Low	81.3	Confident	87 Å²	87	99.1 Å²	99.1	61%	0.608	49%	0.485	S	S	*	.	H	α-helix	trans	-68.3	-19.7	174.7	157.1	0	0	0	0	113.5	A41 W42 R43 K47	A41-S45 WeakPolarHBondContact O-CA 3.46Å; A41-S45 WeakPolarHBondContact O-CB 3.48Å; A41-S45 PolarHBondContact O-N 3.23Å; W42-S45 CarbonylContact O-C 3.52Å; W42-S45 WeakPolarHBondContact O-CA 3.31Å; W42-S45 WeakPolarHBondContact O-CB 3.4Å; W42-S45 PolarHBondContact O-N 3.1Å; W42-S45 VanDerWaalsContact O-N 3.11Å; R43-S45 VanDerWaalsContact C-N 3.35Å; S45-K47 PolarHBondContact O-N 3.31Å
46	K	61.2	Low	80.9	Confident	141 Å²	141	103.4 Å²	103.4	61%	0.613	50%	0.497	S	S	*	.			trans	-69.8	59	164.6	-75.4	-172.9	177.8	-173.4	0	109.6	W42 R43 I44 H48	W42-K46 PolarHBondContact O-N 2.99Å; R43-K46 PolarHBondContact O-N 2.91Å; I44-K46 VanDerWaalsContact C-N 3.27Å; I44-K46 PolarHBondContact O-N 3.33Å; K46-H48 PolarHBondContact O-N 2.76Å; K46-H48 VanDerWaalsContact O-N 3.11Å
47	K	62.6	Low	80.4	Confident	103 Å²	103	105 Å²	105	45%	0.448	50%	0.5	S	S	.	.			trans	-53.4	117.5	160.5	-156.4	-172.9	-175	-152.6	0	105.3	S45 Y49 D459	S45-K47 PolarHBondContact O-N 3.31Å; K47-Y49 HydrophobicContact CB-CD2 4.46Å; K47-Y49 HydrophobicContact CB-CE2 4.31Å; K47-Y49 VanDerWaalsContact O-CD2 3.31Å; K47-Y49 WeakPolarHBondContact O-CD2 3.49Å; K47-Y49 PolarHBondContact O-N 3.17Å; K47-D459 IonicContact NZ-OD1 3.19Å; K47-D459 PolarHBondContact NZ-OD1 3.24Å
48	H	66.7	Low	80.1	Confident	181 Å²	181	101.6 Å²	101.6	84%	0.838	48%	0.482	S	S	*	.			trans	-70	92.6	169.3	-86	-61.9	0	0	0	106.5	K46 N50	K46-H48 PolarHBondContact O-N 2.76Å; K46-H48 VanDerWaalsContact O-N 3.11Å; H48-N50 PolarHBondContact O-N 2.75Å; H48-N50 VanDerWaalsContact O-N 3.13Å
49	Y	74.8	Confident	80	Confident	76 Å²	76	96.1 Å²	96.1	30%	0.298	46%	0.462	S	S	.	.			trans	-57.6	117.9	174	-78.2	-99.2	0	0	0	108.8	K47 N51 D452 D459 A461	K47-Y49 HydrophobicContact CB-CD2 4.46Å; K47-Y49 HydrophobicContact CB-CE2 4.31Å; K47-Y49 VanDerWaalsContact O-CD2 3.31Å; K47-Y49 WeakPolarHBondContact O-CD2 3.49Å; K47-Y49 PolarHBondContact O-N 3.17Å; Y49-N51 VanDerWaalsContact CB-OD1 3.24Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.49Å; Y49-N51 PolarHBondContact O-N 3.33Å; Y49-D452 VanDerWaalsContact OH-CG 3.24Å; Y49-D452 PolarHBondContact OH-OD1 3.31Å; Y49-D452 PolarHBondContact OH-OD2 3.32Å; Y49-D459 WeakPolarHBondContact CA-OD2 3.35Å; Y49-D459 HydrophobicContact CD1-CB 3.44Å; Y49-D459 VanDerWaalsContact CD1-CB 3.44Å; Y49-D459 HydrophobicContact CE1-CB 4.15Å; Y49-D459 HydrophobicContact CG-CB 4.27Å; Y49-A461 HydrophobicContact CE1-CB 3.98Å
50	N	84.2	Confident	80	Confident	90 Å²	90	91.5 Å²	91.5	48%	0.481	44%	0.438	S	S	.	.			trans	-76.6	81.2	171.5	-172.6	26.6	0	0	0	108.4	H48 K457 Q458 D459	H48-N50 PolarHBondContact O-N 2.75Å; H48-N50 VanDerWaalsContact O-N 3.13Å; N50-K457 PolarHBondContact ND2-O 2.97Å; N50-Q458 CarbonylContact O-C 3.36Å; N50-Q458 VanDerWaalsContact O-CA 3.23Å; N50-Q458 WeakPolarHBondContact O-CA 3.46Å; N50-D459 PolarHBondContact N-OD2 3.11Å; N50-D459 PolarHBondContact O-N 2.86Å
51	N	84.1	Confident	80	Confident	79 Å²	79	94.8 Å²	94.8	42%	0.422	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-77.3	136	-171.5	-67.1	-43.8	0	0	0	111.3	Y49 R89	Y49-N51 VanDerWaalsContact CB-OD1 3.24Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.49Å; Y49-N51 PolarHBondContact O-N 3.33Å; N51-R89 PolarHBondContact OD1-NH1 2.87Å; N51-R89 PolarHBondContact OD1-NH2 3.25Å
52	P	85.9	Confident	80.1	Confident	3 Å²	3	94.4 Å²	94.4	2%	0.019	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-54.4	153.1	164.6	-13.3	20.4	0	0	0	111.5	L87 R89 L98 Q458	P52-L87 HydrophobicContact CB-CB 4.24Å; P52-L87 HydrophobicContact CG-CB 4.37Å; P52-R89 HydrophobicContact CB-CG 4.26Å; P52-R89 HydrophobicContact CG-CG 4.2Å; P52-L98 HydrophobicContact CB-CD1 4.1Å; P52-L98 HydrophobicContact CG-CD1 3.46Å; P52-L98 VanDerWaalsContact CG-CD1 3.46Å; P52-Q458 HydrophobicContact CG-CB 3.99Å
53	P	87.5	Confident	80.4	Confident	54 Å²	54	88 Å²	88	35%	0.351	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.4	140	175.5	27.1	-34.2	0	0	0	110.9	F85 V88 R89	P53-F85 HydrophobicContact CG-CD1 4.37Å; P53-F85 HydrophobicContact CG-CG 4.34Å; P53-V88 WeakPolarHBondContact O-CG1 3.33Å; P53-R89 PolarHBondContact O-N 3.24Å
54	I	87.3	Confident	80.7	Confident	92 Å²	92	79.7 Å²	79.7	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.5	175.7	-61	168.1	0	0	0	109.3	R89 Y91	I54-R89 CarbonylContact C-O 3.47Å; I54-R89 VanDerWaalsContact CA-O 3.3Å; I54-R89 WeakPolarHBondContact CA-O 3.33Å; I54-R89 HydrophobicContact CB-CB 4.37Å; I54-R89 HydrophobicContact CG1-CB 3.71Å; I54-Y91 HydrophobicContact CG2-CE2 3.93Å
55	D	87.1	Confident	81.4	Confident	27 Å²	27	74 Å²	74	14%	0.144	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110	169.7	-162.9	-39.3	0	0	0	110.5	R57 L58 F77 V88 R89	D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 VanDerWaalsContact O-N 3.13Å; D55-R57 VanDerWaalsContact OD1-CB 3.26Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.37Å; D55-R57 IonicContact OD1-CZ 3.73Å; D55-R57 PolarHBondContact OD1-N 3.31Å; D55-R57 IonicContact OD1-NE 2.84Å; D55-R57 PolarHBondContact OD1-NE 3.5Å; D55-R57 VanDerWaalsContact OD1-NE 3.11Å; D55-R57 IonicContact OD1-NH2 2.75Å; D55-R57 IonicContact OD2-CZ 2.76Å; D55-R57 IonicContact OD2-NE 2.78Å; D55-R57 PolarHBondContact OD2-NE 2.97Å; D55-R57 IonicContact OD2-NH2 3.33Å; D55-R57 PolarHBondContact OD2-NH2 3.08Å; D55-L58 PolarHBondContact O-N 3.16Å; D55-F77 HydrophobicContact CB-CE2 4.31Å; D55-F77 HydrophobicContact CB-CZ 3.89Å; D55-F77 VanDerWaalsContact CG-CZ 3.49Å; D55-F77 VanDerWaalsContact OD2-CE2 3.29Å; D55-F77 WeakPolarHBondContact OD2-CE2 3.38Å; D55-F77 WeakPolarHBondContact OD2-CZ 3.45Å; D55-V88 HydrophobicContact CB-CG1 3.81Å; D55-R89 PolarHBondContact N-O 3.37Å
56	K	85.4	Confident	82.5	Confident	169 Å²	169	69.9 Å²	69.9	74%	0.735	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	-14.9	-177.4	-65	-177.4	179.6	179.6	0	113.7	L58	K56-L58 VanDerWaalsContact C-N 3.25Å
57	R	84.5	Confident	83.6	Confident	154 Å²	154	63.4 Å²	63.4	58%	0.581	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-24.9	174.4	-61.8	176.8	-71.2	165.8	2.8	111.6	D55 C59 F77	D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 VanDerWaalsContact O-N 3.13Å; D55-R57 VanDerWaalsContact OD1-CB 3.26Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.37Å; D55-R57 IonicContact OD1-CZ 3.73Å; D55-R57 PolarHBondContact OD1-N 3.31Å; D55-R57 IonicContact OD1-NE 2.84Å; D55-R57 PolarHBondContact OD1-NE 3.5Å; D55-R57 VanDerWaalsContact OD1-NE 3.11Å; D55-R57 IonicContact OD1-NH2 2.75Å; D55-R57 IonicContact OD2-CZ 2.76Å; D55-R57 IonicContact OD2-NE 2.78Å; D55-R57 PolarHBondContact OD2-NE 2.97Å; D55-R57 IonicContact OD2-NH2 3.33Å; D55-R57 PolarHBondContact OD2-NH2 3.08Å; R57-C59 PolarHBondContact O-N 3.38Å; R57-F77 HydrophobicContact CB-CD2 4.04Å; R57-F77 HydrophobicContact CB-CE2 3.84Å
58	L	86.6	Confident	84.5	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	71.4	170.5	-67	-179.5	0	0	0	109.8	D55 K56 L74 F77 V88 G90 Y91 F99	D55-L58 PolarHBondContact O-N 3.16Å; K56-L58 VanDerWaalsContact C-N 3.25Å; L58-L74 HydrophobicContact CD2-CD2 3.68Å; L58-F77 HydrophobicContact CD1-CD1 4.1Å; L58-F77 HydrophobicContact CD1-CE1 3.58Å; L58-F77 HydrophobicContact CD1-CZ 3.87Å; L58-F77 HydrophobicContact CD2-CB 4.19Å; L58-F77 HydrophobicContact CD2-CD1 3.55Å; L58-F77 HydrophobicContact CD2-CD2 4.01Å; L58-F77 HydrophobicContact CD2-CE1 3.86Å; L58-F77 HydrophobicContact CD2-CE2 4.27Å; L58-F77 HydrophobicContact CD2-CG 3.63Å; L58-F77 HydrophobicContact CD2-CZ 4.2Å; L58-F77 HydrophobicContact CG-CD1 3.95Å; L58-F77 HydrophobicContact CG-CD2 4.22Å; L58-F77 HydrophobicContact CG-CE1 3.7Å; L58-F77 HydrophobicContact CG-CE2 3.97Å; L58-F77 HydrophobicContact CG-CG 4.21Å; L58-F77 HydrophobicContact CG-CZ 3.71Å; L58-V88 HydrophobicContact CD1-CB 4.3Å; L58-V88 HydrophobicContact CD1-CG1 3.93Å; L58-G90 CarbonylContact O-C 3.59Å; L58-G90 VanDerWaalsContact O-CA 3.25Å; L58-G90 WeakPolarHBondContact O-CA 3.48Å; L58-Y91 PolarHBondContact O-N 2.96Å; L58-F99 HydrophobicContact CB-CD2 4.5Å; L58-F99 HydrophobicContact CB-CE2 4.01Å; L58-F99 HydrophobicContact CB-CZ 4.17Å; L58-F99 HydrophobicContact CD1-CD1 4.42Å; L58-F99 HydrophobicContact CD1-CD2 3.89Å; L58-F99 HydrophobicContact CD1-CE2 4.23Å; L58-F99 HydrophobicContact CD1-CG 4.02Å
59	C	88.5	Confident	85.1	Confident	38 Å²	38	58 Å²	58	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.7	176.6	-172.8	0	0	0	0	109.5	R57 Y91	R57-C59 PolarHBondContact O-N 3.38Å; C59-Y91 WeakPolarHBondContact CA-O 3.37Å
60	F	88.9	Confident	85.4	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.6	173.9	-65.1	-78.1	0	0	0	108.6	S62 L66 R73 L74 Y91 L92 N93 F99	F60-S62 VanDerWaalsContact C-N 3.26Å; F60-S62 PolarHBondContact O-N 3.41Å; F60-L66 HydrophobicContact CD1-CB 4.43Å; F60-L66 HydrophobicContact CD1-CD1 4.05Å; F60-L66 HydrophobicContact CD2-CD1 3.86Å; F60-L66 HydrophobicContact CE1-CD1 4.02Å; F60-L66 HydrophobicContact CE2-CD1 3.82Å; F60-L66 HydrophobicContact CG-CB 4.48Å; F60-L66 HydrophobicContact CG-CD1 3.98Å; F60-L66 HydrophobicContact CZ-CD1 3.89Å; F60-R73 HydrophobicContact CE1-CB 4.18Å; F60-R73 HydrophobicContact CZ-CB 4.33Å; F60-L74 HydrophobicContact CE2-CD2 4.1Å; F60-L74 HydrophobicContact CE2-CG 4.42Å; F60-L74 HydrophobicContact CZ-CD1 4.5Å; F60-L74 HydrophobicContact CZ-CD2 4.08Å; F60-L74 HydrophobicContact CZ-CG 3.99Å; F60-Y91 PolarHBondContact N-O 3.27Å; F60-L92 HydrophobicContact CB-CD1 3.56Å; F60-L92 CarbonylContact O-C 3.46Å; F60-L92 WeakPolarHBondContact O-CA 3.34Å; F60-N93 PolarHBondContact O-N 2.93Å; F60-F99 HydrophobicContact CD2-CE1 4.4Å; F60-F99 HydrophobicContact CD2-CZ 4.15Å; F60-F99 AromaticContact CE2-CE1 3.85Å; F60-F99 HydrophobicContact CE2-CE1 3.85Å; F60-F99 AromaticContact CE2-CZ 3.95Å; F60-F99 HydrophobicContact CE2-CZ 3.95Å
61	H	87.4	Confident	85.1	Confident	141 Å²	141	50.3 Å²	50.3	65%	0.653	25%	0.249	S	C	*	.	S	Bend	trans	-72.8	-21.3	-173.5	-66	-58.2	0	0	0	113.7	D65	H61-D65 PolarHBondContact N-OD2 3.23Å
62	S	85.7	Confident	84.7	Confident	50 Å²	50	48.5 Å²	48.5	35%	0.35	24%	0.238	S	C	.	.	S	Bend	trans	-153.1	162.9	179.3	63.5	0	0	0	0	110.4	F60 N64 D65 L66	F60-S62 VanDerWaalsContact C-N 3.26Å; F60-S62 PolarHBondContact O-N 3.41Å; S62-N64 PolarHBondContact O-N 2.89Å; S62-D65 WeakPolarHBondContact O-CB 3.48Å; S62-D65 PolarHBondContact O-N 2.87Å; S62-D65 VanDerWaalsContact O-N 3.09Å; S62-D65 PolarHBondContact OG-N 2.88Å; S62-L66 PolarHBondContact O-N 3.43Å
63	F	85.3	Confident	84.5	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-34.2	171.5	-171.4	-106.4	0	0	0	111.8	D65 L66 C67 L92 Y119 H243 P442 F443 L446	F63-D65 VanDerWaalsContact C-N 3.32Å; F63-D65 PolarHBondContact O-N 3.28Å; F63-L66 HydrophobicContact CD2-CD2 4.36Å; F63-L66 HydrophobicContact CE2-CD2 4.37Å; F63-L66 WeakPolarHBondContact O-CB 3.28Å; F63-L66 PolarHBondContact O-N 3.17Å; F63-L66 VanDerWaalsContact O-N 3.11Å; F63-C67 VanDerWaalsContact CE1-SG 3.51Å; F63-C67 PolarHBondContact O-N 3.21Å; F63-C67 PolarHBondContact O-SG 3.08Å; F63-L92 HydrophobicContact CD2-CD2 4.49Å; F63-Y119 HydrophobicContact CE2-CD1 4.39Å; F63-Y119 HydrophobicContact CZ-CD1 4.46Å; F63-H243 AromaticContact CE1-NE2 3.55Å; F63-P442 HydrophobicContact CE2-CG 3.97Å; F63-P442 HydrophobicContact CZ-CG 3.8Å; F63-F443 HydrophobicContact CE1-CE1 4.36Å; F63-F443 HydrophobicContact CZ-CD1 4.43Å; F63-F443 HydrophobicContact CZ-CE1 4.5Å; F63-L446 HydrophobicContact CD2-CD2 4.24Å; F63-L446 HydrophobicContact CE2-CD2 4.06Å
64	N	85.9	Confident	84.3	Confident	31 Å²	31	50.9 Å²	50.9	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-39.5	172.1	-175.6	63.3	0	0	0	113.6	S62 L66 C67 Q68 I244 H245	S62-N64 PolarHBondContact O-N 2.89Å; N64-L66 VanDerWaalsContact C-N 3.26Å; N64-L66 PolarHBondContact O-N 3.15Å; N64-C67 PolarHBondContact O-N 3.09Å; N64-Q68 VanDerWaalsContact ND2-CD 3.31Å; N64-Q68 PolarHBondContact ND2-NE2 3.21Å; N64-Q68 PolarHBondContact ND2-OE1 3.46Å; N64-Q68 WeakPolarHBondContact O-CB 3.19Å; N64-Q68 WeakPolarHBondContact O-CG 3.29Å; N64-Q68 PolarHBondContact O-N 2.95Å; N64-Q68 PolarHBondContact OD1-NE2 2.88Å; N64-I244 HydrophobicContact CB-CG2 3.56Å; N64-I244 WeakPolarHBondContact OD1-CG2 3.48Å; N64-H245 PolarHBondContact OD1-CE1 2.89Å
65	D	85.5	Confident	83.8	Confident	15 Å²	15	47 Å²	47	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-37.2	177.1	-167.7	25.4	0	0	0	110.9	H61 S62 F63 N69 G70 R73	H61-D65 PolarHBondContact N-OD2 3.23Å; S62-D65 WeakPolarHBondContact O-CB 3.48Å; S62-D65 PolarHBondContact O-N 2.87Å; S62-D65 VanDerWaalsContact O-N 3.09Å; S62-D65 PolarHBondContact OG-N 2.88Å; F63-D65 VanDerWaalsContact C-N 3.32Å; F63-D65 PolarHBondContact O-N 3.28Å; D65-N69 PolarHBondContact O-N 3.29Å; D65-G70 PolarHBondContact O-N 2.9Å; D65-R73 VanDerWaalsContact CG-NH1 3.33Å; D65-R73 IonicContact OD1-CZ 3.33Å; D65-R73 VanDerWaalsContact OD1-CZ 3.28Å; D65-R73 IonicContact OD1-NH1 3.24Å; D65-R73 PolarHBondContact OD1-NH1 3.43Å; D65-R73 VanDerWaalsContact OD1-NH1 3.16Å; D65-R73 IonicContact OD1-NH2 3.5Å; D65-R73 PolarHBondContact OD1-NH2 2.97Å; D65-R73 IonicContact OD2-CZ 3.98Å; D65-R73 IonicContact OD2-NH1 2.88Å; D65-R73 PolarHBondContact OD2-NH1 3.16Å; D65-R73 IonicContact OD2-NH2 3.83Å
66	L	87.5	Confident	83.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.232	C	C	.	.	I	π-helix	trans	-66.7	-41.5	173	-168.5	70.5	0	0	0	112.2	F60 S62 F63 N64 G70 L92 W441 P442 L467	F60-L66 HydrophobicContact CD1-CB 4.43Å; F60-L66 HydrophobicContact CD1-CD1 4.05Å; F60-L66 HydrophobicContact CD2-CD1 3.86Å; F60-L66 HydrophobicContact CE1-CD1 4.02Å; F60-L66 HydrophobicContact CE2-CD1 3.82Å; F60-L66 HydrophobicContact CG-CB 4.48Å; F60-L66 HydrophobicContact CG-CD1 3.98Å; F60-L66 HydrophobicContact CZ-CD1 3.89Å; S62-L66 PolarHBondContact O-N 3.43Å; F63-L66 HydrophobicContact CD2-CD2 4.36Å; F63-L66 HydrophobicContact CE2-CD2 4.37Å; F63-L66 WeakPolarHBondContact O-CB 3.28Å; F63-L66 PolarHBondContact O-N 3.17Å; F63-L66 VanDerWaalsContact O-N 3.11Å; N64-L66 VanDerWaalsContact C-N 3.26Å; N64-L66 PolarHBondContact O-N 3.15Å; L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 2.9Å; L66-L92 HydrophobicContact CB-CD1 4.46Å; L66-W441 HydrophobicContact CD1-CZ2 3.73Å; L66-W441 HydrophobicContact CG-CZ2 4.08Å; L66-W441 PolarHBondContact O-NE1 3.02Å; L66-W441 VanDerWaalsContact O-NE1 3.09Å; L66-P442 HydrophobicContact CD2-CB 3.8Å; L66-P442 HydrophobicContact CD2-CG 4.11Å; L66-P442 HydrophobicContact CG-CB 4.07Å; L66-P442 HydrophobicContact CG-CG 4.23Å; L66-L467 HydrophobicContact CD1-CD2 4.04Å; L66-L467 HydrophobicContact CD2-CD1 4.37Å; L66-L467 HydrophobicContact CD2-CD2 4.45Å
67	C	84.4	Confident	83.2	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.034	20%	0.2	C	C	.	.	I	π-helix	trans	-65.2	-44.1	177.3	-64.8	0	0	0	0	112.8	F63 N64 Y360	F63-C67 VanDerWaalsContact CE1-SG 3.51Å; F63-C67 PolarHBondContact O-N 3.21Å; F63-C67 PolarHBondContact O-SG 3.08Å; N64-C67 PolarHBondContact O-N 3.09Å; C67-Y360 PolarHBondContact O-OH 3.24Å
68	Q	81.2	Confident	83	Confident	117 Å²	117	34.3 Å²	34.3	55%	0.547	18%	0.175	S	C	.	.	I	π-helix	trans	-80.8	-45.9	-174	-68.3	-177.5	-9.2	0	0	112.5	N64	N64-Q68 VanDerWaalsContact ND2-CD 3.31Å; N64-Q68 PolarHBondContact ND2-NE2 3.21Å; N64-Q68 PolarHBondContact ND2-OE1 3.46Å; N64-Q68 WeakPolarHBondContact O-CB 3.19Å; N64-Q68 WeakPolarHBondContact O-CG 3.29Å; N64-Q68 PolarHBondContact O-N 2.95Å; N64-Q68 PolarHBondContact OD1-NE2 2.88Å
69	N	80.2	Confident	82.4	Confident	52 Å²	52	36.3 Å²	36.3	28%	0.278	19%	0.192	S	C	.	.	I	π-helix	trans	-122.6	-6.7	-169	-60.2	-46.3	0	0	0	113.5	D65 S71 F72 R73	D65-N69 PolarHBondContact O-N 3.29Å; N69-S71 PolarHBondContact O-N 2.74Å; N69-F72 PolarHBondContact O-N 2.91Å; N69-R73 HydrophobicContact CB-CG 4.28Å; N69-R73 WeakPolarHBondContact O-CB 3.46Å; N69-R73 WeakPolarHBondContact O-CG 3.28Å; N69-R73 PolarHBondContact O-N 2.69Å
70	G	80.5	Confident	81.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-54.4	-52.7	-172.5	0	0	0	0	0	113.2	D65 L66 F72 R73 L74	D65-G70 PolarHBondContact O-N 2.9Å; L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 2.9Å; G70-F72 PolarHBondContact O-N 3.07Å; G70-R73 PolarHBondContact O-N 3.17Å; G70-L74 WeakPolarHBondContact O-CB 3.28Å; G70-L74 VanDerWaalsContact O-CG 3.23Å; G70-L74 WeakPolarHBondContact O-CG 3.47Å; G70-L74 PolarHBondContact O-N 3.19Å
71	S	76.9	Confident	81.1	Confident	5 Å²	5	39.8 Å²	39.8	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-50	-62.8	179.3	51	0	0	0	0	112	N69 R73 L74 T75	N69-S71 PolarHBondContact O-N 2.74Å; S71-R73 PolarHBondContact O-N 3.33Å; S71-L74 PolarHBondContact O-N 2.7Å; S71-T75 PolarHBondContact O-N 3.43Å; S71-T75 PolarHBondContact O-OG1 3.13Å
72	F	77.5	Confident	79.9	Confident	42 Å²	42	45.1 Å²	45.1	18%	0.184	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-35.3	-178.5	-76.9	-94.1	0	0	0	114.5	N69 G70 S76 W577 N579	N69-F72 PolarHBondContact O-N 2.91Å; G70-F72 PolarHBondContact O-N 3.07Å; F72-S76 WeakPolarHBondContact O-CB 3.44Å; F72-S76 PolarHBondContact O-N 3.4Å; F72-S76 PolarHBondContact O-OG 2.96Å; F72-W577 AromaticContact CE1-CD1 3.46Å; F72-W577 VanDerWaalsContact CE1-CD1 3.46Å; F72-W577 HydrophobicContact CE1-CG 4.46Å; F72-W577 AromaticContact CE1-NE1 3.25Å; F72-W577 VanDerWaalsContact CE1-NE1 3.25Å; F72-W577 HydrophobicContact CE2-CZ2 4.43Å; F72-W577 AromaticContact CE2-NE1 3.95Å; F72-W577 AromaticContact CZ-CD1 3.68Å; F72-W577 HydrophobicContact CZ-CD2 4.49Å; F72-W577 AromaticContact CZ-CE2 3.52Å; F72-W577 AromaticContact CZ-CZ2 3.88Å; F72-W577 HydrophobicContact CZ-CZ2 3.88Å; F72-W577 AromaticContact CZ-NE1 2.97Å; F72-N579 WeakPolarHBondContact CB-ND2 3.37Å; F72-N579 WeakPolarHBondContact CB-OD1 3.17Å; F72-N579 WeakPolarHBondContact CD1-OD1 3.15Å; F72-N579 HydrophobicContact CD2-CB 4.18Å; F72-N579 WeakPolarHBondContact CD2-ND2 3.3Å; F72-N579 WeakPolarHBondContact CD2-OD1 3.18Å; F72-N579 WeakPolarHBondContact CE1-OD1 3.29Å; F72-N579 HydrophobicContact CE2-CB 3.83Å; F72-N579 WeakPolarHBondContact CE2-ND2 3.49Å; F72-N579 WeakPolarHBondContact CE2-OD1 3.19Å; F72-N579 WeakPolarHBondContact CG-ND2 3.35Å; F72-N579 WeakPolarHBondContact CG-OD1 3.34Å; F72-N579 HydrophobicContact CZ-CB 3.98Å; F72-N579 VanDerWaalsContact CZ-CG 3.43Å; F72-N579 VanDerWaalsContact CZ-N 3.32Å; F72-N579 WeakPolarHBondContact CZ-OD1 3.32Å
73	R	80.6	Confident	78.9	Confident	106 Å²	106	49 Å²	49	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-42	175.3	-78.3	-168.1	-174.3	164.7	15.2	111.5	F60 D65 N69 G70 S71 S76 F77	F60-R73 HydrophobicContact CE1-CB 4.18Å; F60-R73 HydrophobicContact CZ-CB 4.33Å; D65-R73 VanDerWaalsContact CG-NH1 3.33Å; D65-R73 IonicContact OD1-CZ 3.33Å; D65-R73 VanDerWaalsContact OD1-CZ 3.28Å; D65-R73 IonicContact OD1-NH1 3.24Å; D65-R73 PolarHBondContact OD1-NH1 3.43Å; D65-R73 VanDerWaalsContact OD1-NH1 3.16Å; D65-R73 IonicContact OD1-NH2 3.5Å; D65-R73 PolarHBondContact OD1-NH2 2.97Å; D65-R73 IonicContact OD2-CZ 3.98Å; D65-R73 IonicContact OD2-NH1 2.88Å; D65-R73 PolarHBondContact OD2-NH1 3.16Å; D65-R73 IonicContact OD2-NH2 3.83Å; N69-R73 HydrophobicContact CB-CG 4.28Å; N69-R73 WeakPolarHBondContact O-CB 3.46Å; N69-R73 WeakPolarHBondContact O-CG 3.28Å; N69-R73 PolarHBondContact O-N 2.69Å; G70-R73 PolarHBondContact O-N 3.17Å; S71-R73 PolarHBondContact O-N 3.33Å; R73-S76 WeakPolarHBondContact CA-OG 3.3Å; R73-S76 PolarHBondContact O-OG 3.39Å; R73-S76 VanDerWaalsContact O-OG 3.07Å; R73-F77 WeakPolarHBondContact O-CB 3.14Å; R73-F77 PolarHBondContact O-N 3.43Å
74	L	82.7	Confident	78.2	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-52.4	177	-70.7	168.1	0	0	0	110.5	L58 F60 G70 S71 S76 F77 Y78 F99 W441 L467	L58-L74 HydrophobicContact CD2-CD2 3.68Å; F60-L74 HydrophobicContact CE2-CD2 4.1Å; F60-L74 HydrophobicContact CE2-CG 4.42Å; F60-L74 HydrophobicContact CZ-CD1 4.5Å; F60-L74 HydrophobicContact CZ-CD2 4.08Å; F60-L74 HydrophobicContact CZ-CG 3.99Å; G70-L74 WeakPolarHBondContact O-CB 3.28Å; G70-L74 VanDerWaalsContact O-CG 3.23Å; G70-L74 WeakPolarHBondContact O-CG 3.47Å; G70-L74 PolarHBondContact O-N 3.19Å; S71-L74 PolarHBondContact O-N 2.7Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 2.85Å; L74-F77 WeakPolarHBondContact O-CB 3.46Å; L74-F77 PolarHBondContact O-N 2.97Å; L74-F77 VanDerWaalsContact O-N 3.09Å; L74-Y78 HydrophobicContact CB-CD2 4.43Å; L74-Y78 HydrophobicContact CD2-CE2 4.02Å; L74-Y78 WeakPolarHBondContact O-CD2 3.22Å; L74-Y78 PolarHBondContact O-N 2.88Å; L74-F99 HydrophobicContact CD2-CD1 3.72Å; L74-F99 HydrophobicContact CD2-CE1 3.69Å; L74-W441 HydrophobicContact CD1-CH2 3.27Å; L74-W441 HydrophobicContact CD1-CZ2 3.36Å; L74-W441 HydrophobicContact CD1-CZ3 4.45Å; L74-L467 HydrophobicContact CD1-CD2 4.05Å
75	T	78.1	Confident	77.7	Confident	12 Å²	12	56.3 Å²	56.3	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-42	-178.8	-43.2	0	0	0	0	112.1	S71 A79 P471 S475 H495	S71-T75 PolarHBondContact O-N 3.43Å; S71-T75 PolarHBondContact O-OG1 3.13Å; T75-A79 WeakPolarHBondContact O-CB 3.31Å; T75-A79 PolarHBondContact O-N 3.37Å; T75-P471 PolarHBondContact OG1-O 2.98Å; T75-S475 VanDerWaalsContact CG2-OG 3.29Å; T75-S475 WeakPolarHBondContact CG2-OG 3.18Å; T75-H495 HydrophobicContact CG2-CB 3.22Å
76	S	78.8	Confident	77.5	Confident	55 Å²	55	57.5 Å²	57.5	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-38.2	175.9	60.5	0	0	0	0	112.9	F72 R73 L74 S80	F72-S76 WeakPolarHBondContact O-CB 3.44Å; F72-S76 PolarHBondContact O-N 3.4Å; F72-S76 PolarHBondContact O-OG 2.96Å; R73-S76 WeakPolarHBondContact CA-OG 3.3Å; R73-S76 PolarHBondContact O-OG 3.39Å; R73-S76 VanDerWaalsContact O-OG 3.07Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 2.85Å; S76-S80 WeakPolarHBondContact O-CB 3.41Å; S76-S80 PolarHBondContact O-N 3.42Å; S76-S80 VanDerWaalsContact O-N 3.13Å
77	F	80.5	Confident	77.5	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-52.7	175.2	169.5	-91.9	0	0	0	110.9	D55 R57 L58 R73 L74 S80 R81	D55-F77 HydrophobicContact CB-CE2 4.31Å; D55-F77 HydrophobicContact CB-CZ 3.89Å; D55-F77 VanDerWaalsContact CG-CZ 3.49Å; D55-F77 VanDerWaalsContact OD2-CE2 3.29Å; D55-F77 WeakPolarHBondContact OD2-CE2 3.38Å; D55-F77 WeakPolarHBondContact OD2-CZ 3.45Å; R57-F77 HydrophobicContact CB-CD2 4.04Å; R57-F77 HydrophobicContact CB-CE2 3.84Å; L58-F77 HydrophobicContact CD1-CD1 4.1Å; L58-F77 HydrophobicContact CD1-CE1 3.58Å; L58-F77 HydrophobicContact CD1-CZ 3.87Å; L58-F77 HydrophobicContact CD2-CB 4.19Å; L58-F77 HydrophobicContact CD2-CD1 3.55Å; L58-F77 HydrophobicContact CD2-CD2 4.01Å; L58-F77 HydrophobicContact CD2-CE1 3.86Å; L58-F77 HydrophobicContact CD2-CE2 4.27Å; L58-F77 HydrophobicContact CD2-CG 3.63Å; L58-F77 HydrophobicContact CD2-CZ 4.2Å; L58-F77 HydrophobicContact CG-CD1 3.95Å; L58-F77 HydrophobicContact CG-CD2 4.22Å; L58-F77 HydrophobicContact CG-CE1 3.7Å; L58-F77 HydrophobicContact CG-CE2 3.97Å; L58-F77 HydrophobicContact CG-CG 4.21Å; L58-F77 HydrophobicContact CG-CZ 3.71Å; R73-F77 WeakPolarHBondContact O-CB 3.14Å; R73-F77 PolarHBondContact O-N 3.43Å; L74-F77 WeakPolarHBondContact O-CB 3.46Å; L74-F77 PolarHBondContact O-N 2.97Å; L74-F77 VanDerWaalsContact O-N 3.09Å; F77-S80 PolarHBondContact O-N 2.89Å; F77-S80 PolarHBondContact O-OG 3.33Å; F77-R81 PolarHBondContact O-N 2.85Å
78	Y	79.3	Confident	77.8	Confident	12 Å²	12	57.2 Å²	57.2	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-69.8	-37.4	-177.3	-74.6	-69.4	0	0	0	112.3	L74 S80 R81 V88 F99 E101 D469 S472	L74-Y78 HydrophobicContact CB-CD2 4.43Å; L74-Y78 HydrophobicContact CD2-CE2 4.02Å; L74-Y78 WeakPolarHBondContact O-CD2 3.22Å; L74-Y78 PolarHBondContact O-N 2.88Å; Y78-S80 PolarHBondContact O-N 2.8Å; Y78-R81 WeakPolarHBondContact O-CB 3.33Å; Y78-R81 PolarHBondContact O-N 3.4Å; Y78-V88 HydrophobicContact CE1-CG2 4.23Å; Y78-F99 VanDerWaalsContact OH-CB 3.27Å; Y78-F99 WeakPolarHBondContact OH-CB 3.26Å; Y78-E101 HydrophobicContact CD1-CB 4.47Å; Y78-E101 HydrophobicContact CD1-CG 3.87Å; Y78-E101 VanDerWaalsContact CD1-OE1 3.28Å; Y78-E101 WeakPolarHBondContact CD1-OE1 3.34Å; Y78-E101 WeakPolarHBondContact CD1-OE2 3.31Å; Y78-E101 HydrophobicContact CD2-CG 4.49Å; Y78-E101 HydrophobicContact CE1-CB 4.06Å; Y78-E101 VanDerWaalsContact CE1-CD 3.47Å; Y78-E101 HydrophobicContact CE1-CG 3.98Å; Y78-E101 WeakPolarHBondContact CE1-OE2 3.42Å; Y78-E101 HydrophobicContact CG-CG 4.13Å; Y78-D469 WeakPolarHBondContact CD2-OD2 3.43Å; Y78-D469 WeakPolarHBondContact CE2-OD2 3.37Å; Y78-S472 VanDerWaalsContact CD2-OG 3.24Å; Y78-S472 WeakPolarHBondContact CD2-OG 3.49Å
79	A	74.2	Confident	78.3	Confident	46 Å²	46	52.6 Å²	52.6	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-28.1	172.2	0	0	0	0	0	113.7	T75 R81 H495	T75-A79 WeakPolarHBondContact O-CB 3.31Å; T75-A79 PolarHBondContact O-N 3.37Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-H495 WeakPolarHBondContact CB-CE1 3.3Å
80	S	75.4	Confident	78.8	Confident	74 Å²	74	50.1 Å²	50.1	52%	0.517	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.9	177.4	78.9	0	0	0	0	113.7	S76 F77 Y78	S76-S80 WeakPolarHBondContact O-CB 3.41Å; S76-S80 PolarHBondContact O-N 3.42Å; S76-S80 VanDerWaalsContact O-N 3.13Å; F77-S80 PolarHBondContact O-N 2.89Å; F77-S80 PolarHBondContact O-OG 3.33Å; Y78-S80 PolarHBondContact O-N 2.8Å
81	R	74.9	Confident	79.3	Confident	40 Å²	40	53.3 Å²	53.3	15%	0.151	25%	0.252	C	S	.	.			trans	-85.1	126.5	-168.7	-160.7	-177.2	-177	-161.2	4.7	110.6	F77 Y78 A79 Q83 F85 V88 E101	F77-R81 PolarHBondContact O-N 2.85Å; Y78-R81 WeakPolarHBondContact O-CB 3.33Å; Y78-R81 PolarHBondContact O-N 3.4Å; A79-R81 VanDerWaalsContact C-N 3.33Å; R81-Q83 WeakPolarHBondContact CD-O 3.48Å; R81-Q83 WeakPolarHBondContact CG-O 3.28Å; R81-Q83 PolarHBondContact NE-O 3.37Å; R81-Q83 VanDerWaalsContact NE-O 3.09Å; R81-F85 PolarHBondContact NH1-O 3.04Å; R81-F85 VanDerWaalsContact NH1-O 3.13Å; R81-V88 VanDerWaalsContact CZ-CG2 3.45Å; R81-V88 VanDerWaalsContact NH2-CG2 3.28Å; R81-E101 IonicContact NH1-OE2 3.96Å
82	R	61.7	Low	79.8	Confident	253 Å²	253	53.7 Å²	53.7	96%	0.955	25%	0.253	S	S	*	.	S	Bend	trans	-73.9	-30.3	179.1	-68.8	-174	-178.7	178.9	0.1	113.9
83	Q	66.6	Low	80.2	Confident	132 Å²	132	56.5 Å²	56.5	62%	0.617	27%	0.27	S	S	*	.	S	Bend	trans	-116.6	114.7	178.9	-76.5	179.7	-15	0	0	109.2	R81 F85	R81-Q83 WeakPolarHBondContact CD-O 3.48Å; R81-Q83 WeakPolarHBondContact CG-O 3.28Å; R81-Q83 PolarHBondContact NE-O 3.37Å; R81-Q83 VanDerWaalsContact NE-O 3.09Å; Q83-F85 HydrophobicContact CB-CD2 4.06Å; Q83-F85 HydrophobicContact CB-CE2 3.64Å; Q83-F85 PolarHBondContact O-N 3.35Å
84	K	70.2	Confident	80.3	Confident	120 Å²	120	60.3 Å²	60.3	52%	0.522	29%	0.29	S	S	.	.			trans	-75	106.9	172.7	-63.9	-171.5	179.3	-171.7	0	108	D476 D478	K84-D476 IonicContact NZ-OD1 2.88Å; K84-D476 PolarHBondContact NZ-OD1 3.38Å; K84-D478 IonicContact NZ-OD1 3.36Å; K84-D478 IonicContact NZ-OD2 3.79Å; K84-D478 PolarHBondContact NZ-OD2 3.48Å
85	F	74.4	Confident	80.5	Confident	79 Å²	79	64.8 Å²	64.8	35%	0.346	31%	0.311	S	S	.	.			trans	-104.4	124.7	164.1	-66.1	-98.4	0	0	0	106.4	P53 R81 Q83 L87 V88	P53-F85 HydrophobicContact CG-CD1 4.37Å; P53-F85 HydrophobicContact CG-CG 4.34Å; R81-F85 PolarHBondContact NH1-O 3.04Å; R81-F85 VanDerWaalsContact NH1-O 3.13Å; Q83-F85 HydrophobicContact CB-CD2 4.06Å; Q83-F85 HydrophobicContact CB-CE2 3.64Å; Q83-F85 PolarHBondContact O-N 3.35Å; F85-L87 PolarHBondContact O-N 3.2Å; F85-V88 HydrophobicContact CB-CG2 4.42Å
86	P	81.5	Confident	81	Confident	41 Å²	41	67.9 Å²	67.9	27%	0.266	33%	0.327	S	S	.	.	S	Bend	trans	-62.7	-18.4	-174.1	27	-36.1	0	0	0	113	E101 D102 L105 L456	P86-E101 PolarHBondContact O-N 2.89Å; P86-D102 HydrophobicContact CB-CB 3.73Å; P86-L105 HydrophobicContact CB-CD1 3.92Å; P86-L456 HydrophobicContact CB-CD1 4.02Å; P86-L456 HydrophobicContact CG-CD1 3.57Å
87	L	88.5	Confident	81.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.5	-175.7	-69.3	162.3	0	0	0	109.5	P52 F85 L98 F99 V100 I455 L456 Q458	P52-L87 HydrophobicContact CB-CB 4.24Å; P52-L87 HydrophobicContact CG-CB 4.37Å; F85-L87 PolarHBondContact O-N 3.2Å; L87-L98 HydrophobicContact CB-CD1 4.15Å; L87-L98 HydrophobicContact CD2-CD1 3.88Å; L87-L98 HydrophobicContact CD2-CD2 4.19Å; L87-L98 HydrophobicContact CD2-CG 4.1Å; L87-F99 WeakPolarHBondContact CA-O 3.34Å; L87-V100 HydrophobicContact CD2-CB 4.25Å; L87-V100 HydrophobicContact CD2-CG1 4.22Å; L87-V100 HydrophobicContact CD2-CG2 3.74Å; L87-I455 HydrophobicContact CD1-CB 4.02Å; L87-I455 HydrophobicContact CD1-CG2 3.92Å; L87-I455 WeakPolarHBondContact CD1-O 3.41Å; L87-I455 HydrophobicContact CD2-CB 4.22Å; L87-I455 HydrophobicContact CD2-CG2 4Å; L87-I455 HydrophobicContact CG-CG2 4.47Å; L87-L456 HydrophobicContact CD1-CB 3.96Å; L87-L456 HydrophobicContact CD1-CD1 4.41Å; L87-L456 HydrophobicContact CD1-CG 4.5Å; L87-Q458 HydrophobicContact CD1-CB 4.07Å; L87-Q458 HydrophobicContact CD1-CG 4.28Å; L87-Q458 VanDerWaalsContact CD1-OE1 3.29Å
88	V	89.7	Confident	82.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.7	178.6	-173.6	0	0	0	0	108.9	P53 D55 L58 Y78 R81 F85 F99	P53-V88 WeakPolarHBondContact O-CG1 3.33Å; D55-V88 HydrophobicContact CB-CG1 3.81Å; L58-V88 HydrophobicContact CD1-CB 4.3Å; L58-V88 HydrophobicContact CD1-CG1 3.93Å; Y78-V88 HydrophobicContact CE1-CG2 4.23Å; R81-V88 VanDerWaalsContact CZ-CG2 3.45Å; R81-V88 VanDerWaalsContact NH2-CG2 3.28Å; F85-V88 HydrophobicContact CB-CG2 4.42Å; V88-F99 PolarHBondContact N-O 3.44Å; V88-F99 VanDerWaalsContact N-O 3.08Å; V88-F99 WeakPolarHBondContact O-CB 3.46Å; V88-F99 PolarHBondContact O-N 3.47Å
89	R	91.7	Very high	82.8	Confident	19 Å²	19	64 Å²	64	7%	0.072	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144.2	170.4	-79.9	-173.8	177	158.9	14.7	112.1	N51 P52 P53 I54 D55 V97 L98 D459 E464	N51-R89 PolarHBondContact OD1-NH1 2.87Å; N51-R89 PolarHBondContact OD1-NH2 3.25Å; P52-R89 HydrophobicContact CB-CG 4.26Å; P52-R89 HydrophobicContact CG-CG 4.2Å; P53-R89 PolarHBondContact O-N 3.24Å; I54-R89 CarbonylContact C-O 3.47Å; I54-R89 VanDerWaalsContact CA-O 3.3Å; I54-R89 WeakPolarHBondContact CA-O 3.33Å; I54-R89 HydrophobicContact CB-CB 4.37Å; I54-R89 HydrophobicContact CG1-CB 3.71Å; D55-R89 PolarHBondContact N-O 3.37Å; R89-V97 CarbonylContact C-O 3.6Å; R89-V97 VanDerWaalsContact CA-O 3.3Å; R89-V97 WeakPolarHBondContact CA-O 3.41Å; R89-L98 HydrophobicContact CG-CD1 4.28Å; R89-D459 PolarHBondContact NH2-O 3.14Å; R89-E464 IonicContact CZ-OE1 3.55Å; R89-E464 IonicContact CZ-OE2 2.74Å; R89-E464 IonicContact NE-OE1 2.77Å; R89-E464 PolarHBondContact NE-OE1 3.26Å; R89-E464 IonicContact NE-OE2 2.77Å; R89-E464 IonicContact NH2-OE1 3.28Å; R89-E464 IonicContact NH2-OE2 3.68Å; R89-E464 PolarHBondContact NH2-OE2 3.17Å
90	G	91.4	Very high	83.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-153	170.2	0	0	0	0	0	110.2	L58 V97	L58-G90 CarbonylContact O-C 3.59Å; L58-G90 VanDerWaalsContact O-CA 3.25Å; L58-G90 WeakPolarHBondContact O-CA 3.48Å; G90-V97 PolarHBondContact N-O 3.3Å; G90-V97 PolarHBondContact O-N 2.92Å
91	Y	90.7	Very high	83.9	Confident	67 Å²	67	59.7 Å²	59.7	26%	0.263	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.3	-173.4	-58.2	-80.8	0	0	0	111.8	I54 L58 C59 F60 Q95 N96	I54-Y91 HydrophobicContact CG2-CE2 3.93Å; L58-Y91 PolarHBondContact O-N 2.96Å; C59-Y91 WeakPolarHBondContact CA-O 3.37Å; F60-Y91 PolarHBondContact N-O 3.27Å; Y91-Q95 WeakPolarHBondContact CA-O 3.2Å; Y91-N96 WeakPolarHBondContact CE1-OD1 3.32Å
92	L	87.6	Confident	84.2	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.068	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.5	162.7	178.4	66.5	0	0	0	107.2	F60 F63 L66 K94 Q95 V97 L446 L465	F60-L92 HydrophobicContact CB-CD1 3.56Å; F60-L92 CarbonylContact O-C 3.46Å; F60-L92 WeakPolarHBondContact O-CA 3.34Å; F63-L92 HydrophobicContact CD2-CD2 4.49Å; L66-L92 HydrophobicContact CB-CD1 4.46Å; L92-K94 PolarHBondContact O-N 3.2Å; L92-Q95 PolarHBondContact N-O 3.47Å; L92-Q95 PolarHBondContact O-N 3.4Å; L92-V97 HydrophobicContact CB-CG2 3.39Å; L92-L446 HydrophobicContact CD2-CD1 4.31Å; L92-L446 HydrophobicContact CD2-CD2 3.66Å; L92-L465 HydrophobicContact CD2-CD1 4.12Å
93	N	85.4	Confident	84.8	Confident	101 Å²	101	51.5 Å²	51.5	54%	0.54	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-106.3	-167.6	-176	12.9	0	0	0	111.2	F60	F60-N93 PolarHBondContact O-N 2.93Å
94	K	83.8	Confident	85.5	Confident	186 Å²	186	51.4 Å²	51.4	81%	0.809	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	3.7	177.1	-64.9	-179.1	-177.6	179.7	0	113	L92	L92-K94 PolarHBondContact O-N 3.2Å
95	Q	86.1	Confident	86.2	Confident	94 Å²	94	46.2 Å²	46.2	44%	0.439	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.8	-177	-69.3	176.4	-36.2	0	0	110.4	Y91 L92 L465	Y91-Q95 WeakPolarHBondContact CA-O 3.2Å; L92-Q95 PolarHBondContact N-O 3.47Å; L92-Q95 PolarHBondContact O-N 3.4Å; Q95-L465 HydrophobicContact CB-CD1 4.36Å
96	N	89	Confident	86.5	Confident	77 Å²	77	42.6 Å²	42.6	41%	0.412	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.9	170.7	-67.4	-21.9	0	0	0	109	Y91 E464 L465	Y91-N96 WeakPolarHBondContact CE1-OD1 3.32Å; N96-E464 HydrophobicContact CB-CG 4.41Å; N96-L465 PolarHBondContact O-N 2.81Å
97	V	91.5	Very high	86.4	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	174.8	-173.7	0	0	0	0	108.9	R89 G90 L92 F99 L446 L465 L467	R89-V97 CarbonylContact C-O 3.6Å; R89-V97 VanDerWaalsContact CA-O 3.3Å; R89-V97 WeakPolarHBondContact CA-O 3.41Å; G90-V97 PolarHBondContact N-O 3.3Å; G90-V97 PolarHBondContact O-N 2.92Å; L92-V97 HydrophobicContact CB-CG2 3.39Å; V97-F99 HydrophobicContact CB-CD2 4.4Å; V97-F99 HydrophobicContact CB-CE2 3.79Å; V97-F99 HydrophobicContact CB-CZ 4.13Å; V97-F99 HydrophobicContact CG1-CD2 4.3Å; V97-F99 HydrophobicContact CG1-CE1 4.49Å; V97-F99 HydrophobicContact CG1-CE2 3.96Å; V97-F99 HydrophobicContact CG1-CZ 4.07Å; V97-F99 WeakPolarHBondContact O-CD2 3.26Å; V97-L446 HydrophobicContact CG1-CD1 4.03Å; V97-L465 CarbonylContact C-O 3.54Å; V97-L465 WeakPolarHBondContact CA-O 3.21Å; V97-L465 HydrophobicContact CB-CB 4.48Å; V97-L465 HydrophobicContact CG1-CB 4.28Å; V97-L465 HydrophobicContact CG2-CB 4.06Å; V97-L465 HydrophobicContact CG2-CD1 4.25Å; V97-L467 HydrophobicContact CG1-CB 3.73Å
98	L	92.7	Very high	86.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	112.9	167.5	177.4	53.8	0	0	0	109.4	P52 L87 R89 I455 F460 L465 V466 L467	P52-L98 HydrophobicContact CB-CD1 4.1Å; P52-L98 HydrophobicContact CG-CD1 3.46Å; P52-L98 VanDerWaalsContact CG-CD1 3.46Å; L87-L98 HydrophobicContact CB-CD1 4.15Å; L87-L98 HydrophobicContact CD2-CD1 3.88Å; L87-L98 HydrophobicContact CD2-CD2 4.19Å; L87-L98 HydrophobicContact CD2-CG 4.1Å; R89-L98 HydrophobicContact CG-CD1 4.28Å; L98-I455 HydrophobicContact CD2-CD1 4.35Å; L98-F460 HydrophobicContact CD2-CB 3.99Å; L98-F460 HydrophobicContact CD2-CD1 4.43Å; L98-L465 PolarHBondContact N-O 3.4Å; L98-V466 HydrophobicContact CB-CG2 4.28Å; L98-V466 HydrophobicContact CD2-CG2 4.41Å; L98-V466 CarbonylContact O-C 3.53Å; L98-V466 WeakPolarHBondContact O-CA 3.38Å; L98-L467 PolarHBondContact O-N 2.94Å
99	F	91.2	Very high	85.7	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.3	174.3	-62.7	-98.1	0	0	0	109.3	L58 F60 L74 Y78 L87 V88 V97 L467	L58-F99 HydrophobicContact CB-CD2 4.5Å; L58-F99 HydrophobicContact CB-CE2 4.01Å; L58-F99 HydrophobicContact CB-CZ 4.17Å; L58-F99 HydrophobicContact CD1-CD1 4.42Å; L58-F99 HydrophobicContact CD1-CD2 3.89Å; L58-F99 HydrophobicContact CD1-CE2 4.23Å; L58-F99 HydrophobicContact CD1-CG 4.02Å; F60-F99 HydrophobicContact CD2-CE1 4.4Å; F60-F99 HydrophobicContact CD2-CZ 4.15Å; F60-F99 AromaticContact CE2-CE1 3.85Å; F60-F99 HydrophobicContact CE2-CE1 3.85Å; F60-F99 AromaticContact CE2-CZ 3.95Å; F60-F99 HydrophobicContact CE2-CZ 3.95Å; L74-F99 HydrophobicContact CD2-CD1 3.72Å; L74-F99 HydrophobicContact CD2-CE1 3.69Å; Y78-F99 VanDerWaalsContact OH-CB 3.27Å; Y78-F99 WeakPolarHBondContact OH-CB 3.26Å; L87-F99 WeakPolarHBondContact CA-O 3.34Å; V88-F99 PolarHBondContact N-O 3.44Å; V88-F99 VanDerWaalsContact N-O 3.08Å; V88-F99 WeakPolarHBondContact O-CB 3.46Å; V88-F99 PolarHBondContact O-N 3.47Å; V97-F99 HydrophobicContact CB-CD2 4.4Å; V97-F99 HydrophobicContact CB-CE2 3.79Å; V97-F99 HydrophobicContact CB-CZ 4.13Å; V97-F99 HydrophobicContact CG1-CD2 4.3Å; V97-F99 HydrophobicContact CG1-CE1 4.49Å; V97-F99 HydrophobicContact CG1-CE2 3.96Å; V97-F99 HydrophobicContact CG1-CZ 4.07Å; V97-F99 WeakPolarHBondContact O-CD2 3.26Å; F99-L467 WeakPolarHBondContact CA-O 3.18Å; F99-L467 HydrophobicContact CD1-CB 4.21Å; F99-L467 HydrophobicContact CD1-CD2 3.59Å; F99-L467 HydrophobicContact CD1-CG 4.34Å; F99-L467 HydrophobicContact CE1-CB 4.45Å; F99-L467 HydrophobicContact CE1-CD2 3.35Å; F99-L467 HydrophobicContact CE1-CG 4.47Å; F99-L467 HydrophobicContact CZ-CD2 4.39Å
100	V	89.4	Confident	84.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	105.8	175.6	-172.2	0	0	0	0	107.7	L87 L105 I106 I455 V466 L467 F468 D469	L87-V100 HydrophobicContact CD2-CB 4.25Å; L87-V100 HydrophobicContact CD2-CG1 4.22Å; L87-V100 HydrophobicContact CD2-CG2 3.74Å; V100-L105 HydrophobicContact CG1-CB 3.72Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; V100-I106 HydrophobicContact CG1-CG1 4.15Å; V100-I455 HydrophobicContact CG2-CD1 4.08Å; V100-V466 HydrophobicContact CG2-CG1 3.63Å; V100-L467 PolarHBondContact N-O 3.18Å; V100-F468 HydrophobicContact CB-CD1 3.91Å; V100-F468 HydrophobicContact CB-CE1 4.45Å; V100-F468 HydrophobicContact CG1-CD1 4.26Å; V100-F468 HydrophobicContact CG2-CD1 3.98Å; V100-F468 HydrophobicContact CG2-CE1 4.13Å; V100-D469 WeakPolarHBondContact O-CB 2.94Å; V100-D469 PolarHBondContact O-N 2.97Å
101	E	83.2	Confident	84.2	Confident	29 Å²	29	63 Å²	63	14%	0.136	29%	0.291	C	S	.	.			trans	-87.9	-33.4	-176.2	-176.9	-171.1	177.2	0	0	111.9	Y78 R81 P86 W103	Y78-E101 HydrophobicContact CD1-CB 4.47Å; Y78-E101 HydrophobicContact CD1-CG 3.87Å; Y78-E101 VanDerWaalsContact CD1-OE1 3.28Å; Y78-E101 WeakPolarHBondContact CD1-OE1 3.34Å; Y78-E101 WeakPolarHBondContact CD1-OE2 3.31Å; Y78-E101 HydrophobicContact CD2-CG 4.49Å; Y78-E101 HydrophobicContact CE1-CB 4.06Å; Y78-E101 VanDerWaalsContact CE1-CD 3.47Å; Y78-E101 HydrophobicContact CE1-CG 3.98Å; Y78-E101 WeakPolarHBondContact CE1-OE2 3.42Å; Y78-E101 HydrophobicContact CG-CG 4.13Å; R81-E101 IonicContact NH1-OE2 3.96Å; P86-E101 PolarHBondContact O-N 2.89Å; E101-W103 PolarHBondContact O-N 2.81Å
102	D	81.2	Confident	83.8	Confident	52 Å²	52	62.3 Å²	62.3	28%	0.278	29%	0.29	S	S	.	.			trans	-75.2	117.1	-173.1	-175.8	-17.8	0	0	0	111.2	P86 K104 L105 I106	P86-D102 HydrophobicContact CB-CB 3.73Å; D102-K104 PolarHBondContact O-N 3.06Å; D102-K104 WeakPolarHBondContact OD1-CB 3.39Å; D102-K104 PolarHBondContact OD1-N 3.5Å; D102-L105 HydrophobicContact CB-CB 4.31Å; D102-L105 HydrophobicContact CB-CD1 3.77Å; D102-L105 HydrophobicContact CB-CG 3.85Å; D102-L105 WeakPolarHBondContact O-CA 3.46Å; D102-L105 WeakPolarHBondContact O-CB 3.47Å; D102-L105 PolarHBondContact O-N 2.85Å; D102-I106 PolarHBondContact O-N 3.29Å
103	W	76.3	Confident	83.5	Confident	68 Å²	68	67 Å²	67	26%	0.258	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-34.2	-179.2	74.1	-94.1	0	0	0	113.6	E101 L105 I106 T107 Y473 L479	E101-W103 PolarHBondContact O-N 2.81Å; W103-L105 PolarHBondContact O-N 3.25Å; W103-I106 PolarHBondContact O-N 2.81Å; W103-T107 PolarHBondContact O-N 2.91Å; W103-T107 PolarHBondContact O-OG1 3Å; W103-T107 VanDerWaalsContact O-OG1 3.06Å; W103-Y473 HydrophobicContact CB-CD1 4.46Å; W103-Y473 HydrophobicContact CB-CD2 3.05Å; W103-Y473 HydrophobicContact CB-CE2 3.48Å; W103-Y473 VanDerWaalsContact CB-CE2 3.48Å; W103-Y473 HydrophobicContact CB-CG 3.61Å; W103-Y473 HydrophobicContact CD2-CD2 4.43Å; W103-Y473 HydrophobicContact CD2-CE2 4.02Å; W103-Y473 HydrophobicContact CE3-CE2 4.26Å; W103-Y473 AromaticContact CG-CD2 3.65Å; W103-Y473 HydrophobicContact CG-CD2 3.65Å; W103-Y473 AromaticContact CG-CE2 3.72Å; W103-Y473 HydrophobicContact CG-CE2 3.72Å; W103-L479 HydrophobicContact CD2-CD1 4.48Å; W103-L479 HydrophobicContact CG-CD1 4.04Å; W103-L479 HydrophobicContact CZ2-CD2 4.28Å
104	K	80.9	Confident	83.4	Confident	130 Å²	130	64.6 Å²	64.6	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-64.3	-36.7	177.8	-63.7	179	-178.4	172.5	0	110	D102 L108	D102-K104 PolarHBondContact O-N 3.06Å; D102-K104 WeakPolarHBondContact OD1-CB 3.39Å; D102-K104 PolarHBondContact OD1-N 3.5Å; K104-L108 WeakPolarHBondContact O-CB 3.11Å; K104-L108 PolarHBondContact O-N 2.92Å
105	L	84.5	Confident	83.4	Confident	11 Å²	11	56.4 Å²	56.4	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-72.2	-43.2	174.3	-56.3	177.3	0	0	0	111	P86 V100 D102 W103 T107 L108 Y109 I455 L456	P86-L105 HydrophobicContact CB-CD1 3.92Å; V100-L105 HydrophobicContact CG1-CB 3.72Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; D102-L105 HydrophobicContact CB-CB 4.31Å; D102-L105 HydrophobicContact CB-CD1 3.77Å; D102-L105 HydrophobicContact CB-CG 3.85Å; D102-L105 WeakPolarHBondContact O-CA 3.46Å; D102-L105 WeakPolarHBondContact O-CB 3.47Å; D102-L105 PolarHBondContact O-N 2.85Å; W103-L105 PolarHBondContact O-N 3.25Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 3.5Å; L105-L108 PolarHBondContact O-N 2.71Å; L105-Y109 HydrophobicContact CB-CD2 4.28Å; L105-Y109 HydrophobicContact CD2-CE2 4.13Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.3Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; L105-I455 HydrophobicContact CD1-CG2 4.1Å; L105-I455 HydrophobicContact CD2-CG2 4.5Å; L105-L456 HydrophobicContact CD1-CD1 3.35Å; L105-L456 HydrophobicContact CD1-CG 3.8Å; L105-L456 HydrophobicContact CD2-CD1 3.95Å; L105-L456 HydrophobicContact CD2-CD2 3.88Å; L105-L456 HydrophobicContact CD2-CG 3.7Å; L105-L456 HydrophobicContact CG-CD1 4.18Å; L105-L456 HydrophobicContact CG-CG 4.39Å
106	I	81.4	Confident	83.1	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-54.9	-49.9	175.8	-63.9	173	0	0	0	109.6	V100 D102 W103 L108 Y109 D110 F468	V100-I106 HydrophobicContact CG1-CG1 4.15Å; D102-I106 PolarHBondContact O-N 3.29Å; W103-I106 PolarHBondContact O-N 2.81Å; I106-L108 PolarHBondContact O-N 3.42Å; I106-Y109 PolarHBondContact O-N 3.07Å; I106-D110 WeakPolarHBondContact O-CA 3.35Å; I106-D110 WeakPolarHBondContact O-CB 3.08Å; I106-D110 PolarHBondContact O-N 3.28Å; I106-F468 HydrophobicContact CB-CD1 4.42Å; I106-F468 HydrophobicContact CD1-CB 4.33Å; I106-F468 HydrophobicContact CG1-CB 4.01Å; I106-F468 HydrophobicContact CG1-CD1 4.03Å; I106-F468 HydrophobicContact CG1-CG 4.4Å; I106-F468 HydrophobicContact CG2-CB 3.95Å; I106-F468 HydrophobicContact CG2-CD1 4.44Å; I106-F468 HydrophobicContact CG2-CG 4.24Å
107	T	78.1	Confident	82.5	Confident	68 Å²	68	51.1 Å²	51.1	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-40.9	177.9	-54.3	0	0	0	0	112.5	W103 L105	W103-T107 PolarHBondContact O-N 2.91Å; W103-T107 PolarHBondContact O-OG1 3Å; W103-T107 VanDerWaalsContact O-OG1 3.06Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 3.5Å
108	L	82.3	Confident	81.3	Confident	128 Å²	128	52.5 Å²	52.5	67%	0.67	25%	0.254	S	S	*	.	H	α-helix	trans	-69.7	-34.6	-179.4	-175.6	65.8	0	0	0	112.8	K104 L105 I106	K104-L108 WeakPolarHBondContact O-CB 3.11Å; K104-L108 PolarHBondContact O-N 2.92Å; L105-L108 PolarHBondContact O-N 2.71Å; I106-L108 PolarHBondContact O-N 3.42Å
109	Y	82	Confident	80.1	Confident	35 Å²	35	52.7 Å²	52.7	14%	0.137	26%	0.255	C	S	.	.	H	α-helix	trans	-104.2	2.7	-173.6	-72.6	-94.5	0	0	0	113.8	L105 I106 R111 F112 I455 F468	L105-Y109 HydrophobicContact CB-CD2 4.28Å; L105-Y109 HydrophobicContact CD2-CE2 4.13Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.3Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; I106-Y109 PolarHBondContact O-N 3.07Å; Y109-R111 PolarHBondContact O-N 3.02Å; Y109-R111 VanDerWaalsContact O-N 3.16Å; Y109-F112 HydrophobicContact CD1-CB 3.86Å; Y109-F112 AromaticContact CD1-CD1 3.64Å; Y109-F112 HydrophobicContact CD1-CD1 3.64Å; Y109-F112 AromaticContact CD1-CD2 3.76Å; Y109-F112 HydrophobicContact CD1-CD2 3.76Å; Y109-F112 HydrophobicContact CD1-CE1 4.04Å; Y109-F112 HydrophobicContact CD1-CE2 4.17Å; Y109-F112 AromaticContact CD1-CG 3.5Å; Y109-F112 HydrophobicContact CD1-CG 3.5Å; Y109-F112 HydrophobicContact CD1-CZ 4.31Å; Y109-F112 HydrophobicContact CE1-CD1 4.03Å; Y109-F112 HydrophobicContact CE1-CD2 4Å; Y109-F112 AromaticContact CE1-CE1 3.93Å; Y109-F112 HydrophobicContact CE1-CE1 3.93Å; Y109-F112 AromaticContact CE1-CE2 3.93Å; Y109-F112 HydrophobicContact CE1-CE2 3.93Å; Y109-F112 HydrophobicContact CE1-CG 4.08Å; Y109-F112 AromaticContact CE1-CZ 3.9Å; Y109-F112 HydrophobicContact CE1-CZ 3.9Å; Y109-F112 HydrophobicContact CG-CB 4.48Å; Y109-F112 VanDerWaalsContact O-CB 3.25Å; Y109-F112 WeakPolarHBondContact O-CB 3.46Å; Y109-F112 PolarHBondContact O-N 3.24Å; Y109-I455 HydrophobicContact CD1-CD1 4.39Å; Y109-I455 HydrophobicContact CD1-CG1 4.13Å; Y109-I455 HydrophobicContact CD2-CG2 4.19Å; Y109-I455 HydrophobicContact CE1-CB 4.49Å; Y109-I455 HydrophobicContact CE1-CG1 3.9Å; Y109-I455 HydrophobicContact CE1-CG2 4.44Å; Y109-I455 HydrophobicContact CE2-CG2 3.78Å; Y109-F468 WeakPolarHBondContact O-CZ 3.39Å
110	D	74.5	Confident	79.4	Confident	41 Å²	41	53.4 Å²	53.4	22%	0.219	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-37	-179	-166.7	28.8	0	0	0	112.4	I106 R447 R531	I106-D110 WeakPolarHBondContact O-CA 3.35Å; I106-D110 WeakPolarHBondContact O-CB 3.08Å; I106-D110 PolarHBondContact O-N 3.28Å; D110-R447 IonicContact OD1-NH2 2.61Å; D110-R447 PolarHBondContact OD1-NH2 3.46Å; D110-R531 IonicContact OD1-NH2 3.09Å; D110-R531 IonicContact OD2-NE 2.73Å; D110-R531 IonicContact OD2-NH2 3.59Å
111	R	76.2	Confident	79.2	Confident	215 Å²	215	55.7 Å²	55.7	81%	0.811	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	28.4	177.6	-58.8	-174.8	-177.7	-173.6	-0.5	113	Y109 P113	Y109-R111 PolarHBondContact O-N 3.02Å; Y109-R111 VanDerWaalsContact O-N 3.16Å; R111-P113 WeakPolarHBondContact O-CD 3.03Å
112	F	82.3	Confident	79.3	Confident	53 Å²	53	54.5 Å²	54.5	23%	0.232	27%	0.271	C	S	.	.			trans	-68.1	122.6	-175.5	-166	-132.6	0	0	0	111.1	Y109 L114 L115 F460	Y109-F112 HydrophobicContact CD1-CB 3.86Å; Y109-F112 AromaticContact CD1-CD1 3.64Å; Y109-F112 HydrophobicContact CD1-CD1 3.64Å; Y109-F112 AromaticContact CD1-CD2 3.76Å; Y109-F112 HydrophobicContact CD1-CD2 3.76Å; Y109-F112 HydrophobicContact CD1-CE1 4.04Å; Y109-F112 HydrophobicContact CD1-CE2 4.17Å; Y109-F112 AromaticContact CD1-CG 3.5Å; Y109-F112 HydrophobicContact CD1-CG 3.5Å; Y109-F112 HydrophobicContact CD1-CZ 4.31Å; Y109-F112 HydrophobicContact CE1-CD1 4.03Å; Y109-F112 HydrophobicContact CE1-CD2 4Å; Y109-F112 AromaticContact CE1-CE1 3.93Å; Y109-F112 HydrophobicContact CE1-CE1 3.93Å; Y109-F112 AromaticContact CE1-CE2 3.93Å; Y109-F112 HydrophobicContact CE1-CE2 3.93Å; Y109-F112 HydrophobicContact CE1-CG 4.08Å; Y109-F112 AromaticContact CE1-CZ 3.9Å; Y109-F112 HydrophobicContact CE1-CZ 3.9Å; Y109-F112 HydrophobicContact CG-CB 4.48Å; Y109-F112 VanDerWaalsContact O-CB 3.25Å; Y109-F112 WeakPolarHBondContact O-CB 3.46Å; Y109-F112 PolarHBondContact O-N 3.24Å; F112-L114 HydrophobicContact CD1-CB 4Å; F112-L114 HydrophobicContact CE1-CB 3.85Å; F112-L114 HydrophobicContact CE1-CD1 3.86Å; F112-L114 HydrophobicContact CE1-CG 4.05Å; F112-L114 HydrophobicContact CZ-CD1 4.01Å; F112-L114 HydrophobicContact CZ-CG 4.32Å; F112-L114 PolarHBondContact O-N 3.49Å; F112-L115 HydrophobicContact CB-CB 4.49Å; F112-L115 HydrophobicContact CB-CD1 4.22Å; F112-L115 HydrophobicContact CB-CG 4.43Å; F112-L115 HydrophobicContact CD1-CD1 4.03Å; F112-L115 HydrophobicContact CD1-CG 3.95Å; F112-L115 PolarHBondContact O-N 3.5Å; F112-F460 HydrophobicContact CD1-CZ 4.42Å; F112-F460 HydrophobicContact CE1-CE1 4.26Å; F112-F460 AromaticContact CE1-CZ 3.94Å; F112-F460 HydrophobicContact CE1-CZ 3.94Å
113	P	81.2	Confident	79.5	Confident	112 Å²	112	54.4 Å²	54.4	73%	0.727	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.4	-171.7	-26.6	34.7	0	0	0	115.7	R111	R111-P113 WeakPolarHBondContact O-CD 3.03Å
114	L	84.7	Confident	79.9	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.267	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6	179.3	-58.9	-177.5	0	0	0	113.4	F112 A449 L450 R451 F460	F112-L114 HydrophobicContact CD1-CB 4Å; F112-L114 HydrophobicContact CE1-CB 3.85Å; F112-L114 HydrophobicContact CE1-CD1 3.86Å; F112-L114 HydrophobicContact CE1-CG 4.05Å; F112-L114 HydrophobicContact CZ-CD1 4.01Å; F112-L114 HydrophobicContact CZ-CG 4.32Å; F112-L114 PolarHBondContact O-N 3.49Å; L114-A449 WeakPolarHBondContact O-CA 3.24Å; L114-L450 PolarHBondContact O-N 2.86Å; L114-R451 HydrophobicContact CD2-CB 4.37Å; L114-F460 HydrophobicContact CB-CZ 4.32Å
115	L	83.1	Confident	80.1	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.4	-177	-66	178.9	0	0	0	109	F112 R447 Q448 A449 F460 V466 F468	F112-L115 HydrophobicContact CB-CB 4.49Å; F112-L115 HydrophobicContact CB-CD1 4.22Å; F112-L115 HydrophobicContact CB-CG 4.43Å; F112-L115 HydrophobicContact CD1-CD1 4.03Å; F112-L115 HydrophobicContact CD1-CG 3.95Å; F112-L115 PolarHBondContact O-N 3.5Å; L115-R447 HydrophobicContact CB-CB 3.82Å; L115-R447 HydrophobicContact CB-CG 4.03Å; L115-R447 HydrophobicContact CD2-CB 4.35Å; L115-R447 HydrophobicContact CG-CB 4.46Å; L115-Q448 WeakPolarHBondContact CA-O 3.22Å; L115-A449 HydrophobicContact CD2-CB 4.16Å; L115-F460 HydrophobicContact CD2-CE2 4.02Å; L115-F460 HydrophobicContact CD2-CZ 4.06Å; L115-F460 HydrophobicContact CG-CZ 4.48Å; L115-V466 HydrophobicContact CD1-CB 4.4Å; L115-V466 HydrophobicContact CD1-CG1 4.24Å; L115-V466 HydrophobicContact CD2-CB 4.12Å; L115-V466 HydrophobicContact CD2-CG2 3.62Å; L115-F468 HydrophobicContact CD1-CZ 3.8Å
116	D	79.1	Confident	80.4	Confident	35 Å²	35	53.1 Å²	53.1	19%	0.187	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	159.2	174.6	-166.4	16.7	0	0	0	111	H118 R143 R447 Q448 L450	D116-H118 PolarHBondContact O-N 2.92Å; D116-R143 VanDerWaalsContact CG-NH1 3.32Å; D116-R143 IonicContact OD1-CZ 4Å; D116-R143 IonicContact OD1-NH1 3.05Å; D116-R143 PolarHBondContact OD1-NH1 3Å; D116-R143 IonicContact OD2-NH1 3.17Å; D116-R143 PolarHBondContact OD2-NH1 3.13Å; D116-R447 CarbonylContact O-C 3.42Å; D116-R447 WeakPolarHBondContact O-CA 3.41Å; D116-R447 WeakPolarHBondContact O-CB 3.25Å; D116-R447 WeakPolarHBondContact O-CD 3.23Å; D116-Q448 PolarHBondContact N-O 3.07Å; D116-Q448 PolarHBondContact O-N 3.19Å; D116-L450 HydrophobicContact CB-CD1 3.96Å; D116-L450 HydrophobicContact CB-CD2 3.78Å; D116-L450 HydrophobicContact CB-CG 3.86Å
117	L	75.7	Confident	80.7	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	117.7	177.3	-74.2	149.5	0	0	0	110.4	Y119 R143 V534	L117-Y119 HydrophobicContact CB-CD2 4Å; L117-Y119 HydrophobicContact CB-CE2 3.78Å; L117-Y119 HydrophobicContact CD2-CD2 4.16Å; L117-Y119 HydrophobicContact CD2-CE2 3.57Å; L117-Y119 HydrophobicContact CG-CE2 4.21Å; L117-R143 VanDerWaalsContact CB-NH2 3.33Å; L117-V534 HydrophobicContact CD1-CG1 4.06Å; L117-V534 HydrophobicContact CD2-CG1 4.33Å; L117-V534 HydrophobicContact CD2-CG2 4.05Å
118	H	67.8	Low	81.2	Confident	30 Å²	30	59 Å²	59	14%	0.139	29%	0.292	C	S	.	.			trans	-124.6	97.3	177.4	-171.5	92.7	0	0	0	113.5	D116 L446 Q448 L465	D116-H118 PolarHBondContact O-N 2.92Å; H118-L446 PolarHBondContact N-O 3.5Å; H118-Q448 HydrophobicContact CB-CB 3.29Å; H118-Q448 PolarHBondContact CE1-OE1 3.24Å; H118-Q448 VanDerWaalsContact CE1-OE1 3.24Å; H118-Q448 PolarHBondContact ND1-OE1 2.98Å; H118-L465 HydrophobicContact CB-CD2 4.28Å; H118-L465 VanDerWaalsContact CD2-CD2 3.45Å; H118-L465 WeakPolarHBondContact CD2-CD2 3.19Å
119	Y	66.3	Low	81.5	Confident	5 Å²	5	57.9 Å²	57.9	2%	0.02	28%	0.282	C	S	.	.			trans	-151.6	67	-168.9	-55	-99.1	0	0	0	112.2	F63 L117 H243 P442 C445 L446 R447	F63-Y119 HydrophobicContact CE2-CD1 4.39Å; F63-Y119 HydrophobicContact CZ-CD1 4.46Å; L117-Y119 HydrophobicContact CB-CD2 4Å; L117-Y119 HydrophobicContact CB-CE2 3.78Å; L117-Y119 HydrophobicContact CD2-CD2 4.16Å; L117-Y119 HydrophobicContact CD2-CE2 3.57Å; L117-Y119 HydrophobicContact CG-CE2 4.21Å; Y119-H243 PolarHBondContact O-CE1 3.11Å; Y119-H243 PolarHBondContact O-ND1 3.13Å; Y119-P442 WeakPolarHBondContact CE1-O 3.42Å; Y119-C445 WeakPolarHBondContact OH-CA 3.17Å; Y119-C445 PolarHBondContact OH-N 3.3Å; Y119-C445 PolarHBondContact OH-O 3.41Å; Y119-L446 HydrophobicContact CD1-CB 3.65Å; Y119-L446 HydrophobicContact CD1-CD2 4.45Å; Y119-L446 VanDerWaalsContact CE1-C 3.44Å; Y119-L446 HydrophobicContact CE1-CB 3.16Å; Y119-L446 HydrophobicContact CE1-CG 4.38Å; Y119-L446 WeakPolarHBondContact CE1-O 3.41Å; Y119-L446 WeakPolarHBondContact CE2-O 3.27Å; Y119-L446 WeakPolarHBondContact OH-CA 3.29Å; Y119-L446 PolarHBondContact OH-N 2.97Å; Y119-L446 PolarHBondContact OH-O 3.24Å; Y119-R447 PolarHBondContact OH-N 3.34Å; Y119-R447 VanDerWaalsContact OH-N 3.15Å; Y119-R447 PolarHBondContact OH-NH1 2.58Å
120	S	78.1	Confident	82	Confident	16 Å²	16	56.4 Å²	56.4	11%	0.112	28%	0.276	C	S	.	.			trans	-156.8	133.6	159.6	-152.9	0	0	0	0	110.7	A122 H243	S120-A122 PolarHBondContact O-N 3.42Å; S120-A122 WeakPolarHBondContact OG-CB 3.45Å; S120-A122 PolarHBondContact OG-N 3.27Å; S120-H243 WeakPolarHBondContact OG-CA 3.28Å; S120-H243 PolarHBondContact OG-ND1 2.64Å
121	S	84.2	Confident	82.7	Confident	48 Å²	48	55.7 Å²	55.7	34%	0.336	27%	0.274	S	S	.	.			trans	-70	-7.1	161.7	-58.3	0	0	0	0	111.2	H243 I244 G246	S121-H243 VanDerWaalsContact CB-O 3.31Å; S121-H243 WeakPolarHBondContact CB-O 3.27Å; S121-H243 PolarHBondContact N-O 2.57Å; S121-I244 PolarHBondContact OG-O 3.12Å; S121-G246 WeakPolarHBondContact O-CA 3.35Å
122	A	85.7	Confident	83.3	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.033	24%	0.235	C	C	.	.	S	Bend	trans	-56.1	137.4	177.9	0	0	0	0	0	111.7	S120 F126 R127 I135 L242	S120-A122 PolarHBondContact O-N 3.42Å; S120-A122 WeakPolarHBondContact OG-CB 3.45Å; S120-A122 PolarHBondContact OG-N 3.27Å; A122-F126 HydrophobicContact CB-CD1 4.04Å; A122-R127 HydrophobicContact CB-CG 4.01Å; A122-R127 PolarHBondContact O-NE 3.26Å; A122-I135 HydrophobicContact CB-CG2 4.2Å; A122-L242 WeakPolarHBondContact CA-O 3.28Å; A122-L242 HydrophobicContact CB-CD2 4.35Å; A122-L242 HydrophobicContact CB-CG 3.91Å; A122-L242 PolarHBondContact N-O 3.26Å
123	P	85.2	Confident	83.6	Confident	49 Å²	49	42.9 Å²	42.9	32%	0.318	22%	0.224	S	C	.	.			trans	-54.7	142.7	177.2	-25.5	34.1	0	0	0	112	S125 F126 R127	P123-S125 PolarHBondContact O-N 3.44Å; P123-S125 VanDerWaalsContact O-N 3.07Å; P123-F126 WeakPolarHBondContact O-CB 3.25Å; P123-F126 PolarHBondContact O-N 2.98Å; P123-R127 PolarHBondContact O-N 3.3Å; P123-R127 VanDerWaalsContact O-N 3.1Å
124	K	84.7	Confident	83.9	Confident	107 Å²	107	37.6 Å²	37.6	47%	0.465	19%	0.19	S	C	.	.	H	α-helix	trans	-53.8	-32.1	177.8	-170.3	171	-172.4	169.9	0	112.7	F126 R127 R128	K124-F126 VanDerWaalsContact C-N 3.31Å; K124-F126 PolarHBondContact O-N 3.24Å; K124-R127 PolarHBondContact O-N 3.48Å; K124-R128 HydrophobicContact CG-CG 4.47Å; K124-R128 WeakPolarHBondContact O-CG 3.3Å; K124-R128 PolarHBondContact O-N 3.44Å; K124-R128 VanDerWaalsContact O-N 3.11Å
125	S	86	Confident	84.1	Confident	74 Å²	74	35.2 Å²	35.2	52%	0.517	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-31	175.5	53.7	0	0	0	0	114.1	P123	P123-S125 PolarHBondContact O-N 3.44Å; P123-S125 VanDerWaalsContact O-N 3.07Å
126	F	89.4	Confident	84.1	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-79.1	-48.6	172.7	179.3	-91	0	0	0	110.6	A122 P123 K124 R128 K129 W130 I135 L239 L242 T271 L274 I275	A122-F126 HydrophobicContact CB-CD1 4.04Å; P123-F126 WeakPolarHBondContact O-CB 3.25Å; P123-F126 PolarHBondContact O-N 2.98Å; K124-F126 VanDerWaalsContact C-N 3.31Å; K124-F126 PolarHBondContact O-N 3.24Å; F126-R128 VanDerWaalsContact C-N 3.28Å; F126-R128 PolarHBondContact O-N 3.09Å; F126-K129 WeakPolarHBondContact O-CA 3.39Å; F126-K129 PolarHBondContact O-N 3.43Å; F126-W130 HydrophobicContact CD1-CB 4.35Å; F126-W130 HydrophobicContact CE1-CB 4.02Å; F126-W130 AromaticContact CE1-CD2 3.95Å; F126-W130 HydrophobicContact CE1-CD2 3.95Å; F126-W130 AromaticContact CE1-CE3 3.79Å; F126-W130 HydrophobicContact CE1-CE3 3.79Å; F126-W130 HydrophobicContact CE1-CG 4.07Å; F126-W130 HydrophobicContact CE2-CE3 4.25Å; F126-W130 HydrophobicContact CZ-CD2 4.02Å; F126-W130 AromaticContact CZ-CE3 3.37Å; F126-W130 HydrophobicContact CZ-CE3 3.37Å; F126-W130 AromaticContact CZ-CZ3 3.84Å; F126-W130 HydrophobicContact CZ-CZ3 3.84Å; F126-W130 PolarHBondContact O-N 3.43Å; F126-W130 VanDerWaalsContact O-N 3.14Å; F126-I135 HydrophobicContact CD1-CG2 4Å; F126-I135 HydrophobicContact CE1-CG2 3.77Å; F126-L239 HydrophobicContact CE1-CD1 4.2Å; F126-L239 HydrophobicContact CZ-CD1 3.91Å; F126-L242 HydrophobicContact CB-CD2 4.44Å; F126-L242 HydrophobicContact CD1-CD2 3.7Å; F126-L242 HydrophobicContact CD2-CD2 3.61Å; F126-L242 HydrophobicContact CE1-CD2 3.72Å; F126-L242 HydrophobicContact CE2-CD2 3.61Å; F126-L242 HydrophobicContact CG-CD2 3.64Å; F126-L242 HydrophobicContact CZ-CD2 3.66Å; F126-T271 HydrophobicContact CB-CG2 4.22Å; F126-T271 HydrophobicContact CD2-CG2 4.19Å; F126-L274 HydrophobicContact CE2-CD2 4.12Å; F126-L274 HydrophobicContact CZ-CD2 4.15Å; F126-I275 HydrophobicContact CD2-CD1 4.19Å; F126-I275 HydrophobicContact CD2-CG1 4.33Å; F126-I275 HydrophobicContact CE2-CD1 4.07Å; F126-I275 HydrophobicContact CE2-CG1 3.74Å; F126-I275 HydrophobicContact CZ-CG1 4.4Å
127	R	88.2	Confident	84.2	Confident	40 Å²	40	33.4 Å²	33.4	15%	0.151	17%	0.169	C	C	.	.	H	α-helix	trans	-56.2	-40.3	-176.7	-64.1	-163.1	-80.7	142.2	-4.8	113.3	A122 P123 K124 K129 W130 I135 D137	A122-R127 HydrophobicContact CB-CG 4.01Å; A122-R127 PolarHBondContact O-NE 3.26Å; P123-R127 PolarHBondContact O-N 3.3Å; P123-R127 VanDerWaalsContact O-N 3.1Å; K124-R127 PolarHBondContact O-N 3.48Å; R127-K129 PolarHBondContact O-N 2.92Å; R127-W130 PolarHBondContact O-N 3.26Å; R127-W130 VanDerWaalsContact O-N 3.14Å; R127-W130 VanDerWaalsContact O-O 3.11Å; R127-I135 WeakPolarHBondContact CB-O 3.15Å; R127-I135 VanDerWaalsContact CD-O 3.23Å; R127-I135 WeakPolarHBondContact CD-O 3.43Å; R127-I135 HydrophobicContact CG-CG2 4.24Å; R127-I135 WeakPolarHBondContact CG-O 3.2Å; R127-D137 HydrophobicContact CB-CB 4.04Å
128	R	87.6	Confident	84.1	Confident	156 Å²	156	36.5 Å²	36.5	59%	0.589	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	174.8	-76.7	178.7	170.1	-177.8	-7.2	115.2	K124 F126 D137	K124-R128 HydrophobicContact CG-CG 4.47Å; K124-R128 WeakPolarHBondContact O-CG 3.3Å; K124-R128 PolarHBondContact O-N 3.44Å; K124-R128 VanDerWaalsContact O-N 3.11Å; F126-R128 VanDerWaalsContact C-N 3.28Å; F126-R128 PolarHBondContact O-N 3.09Å; R128-D137 WeakPolarHBondContact CG-OD2 3.06Å; R128-D137 IonicContact NE-OD2 2.64Å
129	K	89.8	Confident	84.5	Confident	104 Å²	104	39.2 Å²	39.2	45%	0.452	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-10	179.8	-62.8	-176.2	-179.4	-168.3	0	112.4	F126 R127 N272 I275 H349	F126-K129 WeakPolarHBondContact O-CA 3.39Å; F126-K129 PolarHBondContact O-N 3.43Å; R127-K129 PolarHBondContact O-N 2.92Å; K129-N272 PolarHBondContact NZ-OD1 3.11Å; K129-I275 HydrophobicContact CB-CD1 3.59Å; K129-I275 HydrophobicContact CD-CD1 4.23Å; K129-H349 PolarHBondContact O-CE1 2.83Å; K129-H349 VanDerWaalsContact O-CE1 3.29Å
130	W	91.5	Very high	85.2	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.015	21%	0.21	C	C	.	.			trans	-95.7	130.1	179.8	-168.1	-92.6	0	0	0	108.9	F126 R127 G132 I135 A136 L239 I275 F278 H349 E353	F126-W130 HydrophobicContact CD1-CB 4.35Å; F126-W130 HydrophobicContact CE1-CB 4.02Å; F126-W130 AromaticContact CE1-CD2 3.95Å; F126-W130 HydrophobicContact CE1-CD2 3.95Å; F126-W130 AromaticContact CE1-CE3 3.79Å; F126-W130 HydrophobicContact CE1-CE3 3.79Å; F126-W130 HydrophobicContact CE1-CG 4.07Å; F126-W130 HydrophobicContact CE2-CE3 4.25Å; F126-W130 HydrophobicContact CZ-CD2 4.02Å; F126-W130 AromaticContact CZ-CE3 3.37Å; F126-W130 HydrophobicContact CZ-CE3 3.37Å; F126-W130 AromaticContact CZ-CZ3 3.84Å; F126-W130 HydrophobicContact CZ-CZ3 3.84Å; F126-W130 PolarHBondContact O-N 3.43Å; F126-W130 VanDerWaalsContact O-N 3.14Å; R127-W130 PolarHBondContact O-N 3.26Å; R127-W130 VanDerWaalsContact O-N 3.14Å; R127-W130 VanDerWaalsContact O-O 3.11Å; W130-G132 VanDerWaalsContact CD1-N 3.32Å; W130-I135 HydrophobicContact CG-CB 4.26Å; W130-I135 HydrophobicContact CG-CG2 4.28Å; W130-A136 WeakPolarHBondContact O-CB 3.37Å; W130-L239 HydrophobicContact CH2-CD1 3.85Å; W130-L239 HydrophobicContact CH2-CD2 3.85Å; W130-L239 HydrophobicContact CZ2-CD1 4.05Å; W130-L239 HydrophobicContact CZ2-CD2 3.78Å; W130-L239 HydrophobicContact CZ3-CD1 4.14Å; W130-I275 HydrophobicContact CE3-CG1 4.34Å; W130-F278 AromaticContact CH2-CD2 3.83Å; W130-F278 HydrophobicContact CH2-CD2 3.83Å; W130-F278 AromaticContact CH2-CE2 3.86Å; W130-F278 HydrophobicContact CH2-CE2 3.86Å; W130-F278 HydrophobicContact CH2-CG 4.31Å; W130-F278 HydrophobicContact CH2-CZ 4.36Å; W130-F278 AromaticContact CZ3-CD2 3.91Å; W130-F278 HydrophobicContact CZ3-CD2 3.91Å; W130-F278 HydrophobicContact CZ3-CE2 4.22Å; W130-H349 HydrophobicContact CD2-CB 4.04Å; W130-H349 AromaticContact CD2-CD2 3.87Å; W130-H349 AromaticContact CD2-CG 3.83Å; W130-H349 AromaticContact CE2-CG 3.98Å; W130-H349 AromaticContact CE3-CD2 3.46Å; W130-H349 VanDerWaalsContact CE3-CD2 3.46Å; W130-H349 AromaticContact CE3-CG 3.92Å; W130-H349 AromaticContact CE3-NE2 3.75Å; W130-H349 HydrophobicContact CH2-CB 4.35Å; W130-H349 AromaticContact CH2-CD2 3.77Å; W130-H349 HydrophobicContact CZ2-CB 3.86Å; W130-H349 WeakPolarHBondContact CZ2-O 3.2Å; W130-H349 AromaticContact CZ3-CD2 3.41Å; W130-H349 VanDerWaalsContact CZ3-CD2 3.41Å; W130-H349 WeakPolarHBondContact CZ3-CD2 3.36Å; W130-H349 AromaticContact CZ3-NE2 3.94Å; W130-E353 HydrophobicContact CZ2-CG 4.17Å; W130-E353 PolarHBondContact NE1-OE1 2.94Å
131	C	90	Very high	85.3	Confident	26 Å²	26	46.5 Å²	46.5	18%	0.176	24%	0.237	C	C	.	.			trans	-116	23.6	-172.8	-52.6	0	0	0	0	111.8	L140 T345 H346 H349	C131-L140 HydrophobicContact CB-CD1 4.33Å; C131-T345 HydrophobicContact CB-CG2 4.41Å; C131-H346 PolarHBondContact O-CD2 2.96Å; C131-H349 PolarHBondContact N-ND1 3.1Å
132	G	89.2	Confident	85.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-83.9	171.4	171.9	0	0	0	0	0	112.2	W130 A136 L140 E353	W130-G132 VanDerWaalsContact CD1-N 3.32Å; G132-A136 WeakPolarHBondContact O-CB 3.44Å; G132-L140 WeakPolarHBondContact O-CD2 2.79Å; G132-E353 WeakPolarHBondContact CA-OE1 3.45Å
133	L	88.3	Confident	85	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.3	-176.8	-74.5	176.6	0	0	0	114.9	R143 L146 I147 V150 L350 E353 V534 C535	L133-R143 HydrophobicContact CD2-CG 3.75Å; L133-R143 PolarHBondContact O-NE 2.87Å; L133-R143 PolarHBondContact O-NH2 3.22Å; L133-L146 HydrophobicContact CD1-CG 4.24Å; L133-L146 HydrophobicContact CD2-CB 3.87Å; L133-L146 HydrophobicContact CD2-CD2 3.63Å; L133-L146 HydrophobicContact CD2-CG 3.68Å; L133-L146 HydrophobicContact CG-CD2 3.79Å; L133-L146 HydrophobicContact CG-CG 3.86Å; L133-I147 HydrophobicContact CD1-CG1 3.84Å; L133-I147 HydrophobicContact CD2-CD1 4.43Å; L133-I147 HydrophobicContact CD2-CG1 3.61Å; L133-I147 HydrophobicContact CG-CG1 4.35Å; L133-V150 HydrophobicContact CD1-CB 4.49Å; L133-V150 HydrophobicContact CD1-CG2 3.99Å; L133-L350 HydrophobicContact CD1-CD1 3.87Å; L133-L350 HydrophobicContact CG-CD1 4.19Å; L133-E353 WeakPolarHBondContact CA-OE2 3.27Å; L133-E353 PolarHBondContact N-OE2 2.88Å; L133-V534 HydrophobicContact CB-CG1 3.99Å; L133-V534 WeakPolarHBondContact O-CG1 3.11Å; L133-C535 HydrophobicContact CB-CB 4.35Å; L133-C535 HydrophobicContact CD1-CB 3.83Å
134	M	87.9	Confident	84.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-46.7	-172.4	-171.4	-177.4	72.9	0	0	113.1	E353 L356 I357 F443 V534	M134-E353 HydrophobicContact CB-CG 4.32Å; M134-E353 WeakPolarHBondContact CB-OE2 2.94Å; M134-E353 PolarHBondContact N-OE1 3.48Å; M134-E353 VanDerWaalsContact N-OE1 3.07Å; M134-E353 PolarHBondContact N-OE2 3.16Å; M134-L356 HydrophobicContact CE-CD2 3.33Å; M134-I357 HydrophobicContact SD-CD1 3.84Å; M134-I357 HydrophobicContact SD-CG1 4.01Å; M134-F443 HydrophobicContact SD-CB 4.05Å; M134-F443 HydrophobicContact SD-CD1 4.3Å; M134-F443 HydrophobicContact SD-CG 4.07Å; M134-V534 HydrophobicContact CB-CB 4.33Å; M134-V534 HydrophobicContact CB-CG1 3.85Å; M134-V534 HydrophobicContact CB-CG2 4.47Å; M134-V534 HydrophobicContact CG-CB 4.45Å; M134-V534 HydrophobicContact CG-CG1 4.32Å; M134-V534 HydrophobicContact CG-CG2 4.07Å; M134-V534 HydrophobicContact SD-CG2 4.39Å
135	I	87.9	Confident	84.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.7	-170.8	-61.4	169.1	0	0	0	112.1	A122 F126 R127 W130 L239 H243 E353 L356	A122-I135 HydrophobicContact CB-CG2 4.2Å; F126-I135 HydrophobicContact CD1-CG2 4Å; F126-I135 HydrophobicContact CE1-CG2 3.77Å; R127-I135 WeakPolarHBondContact CB-O 3.15Å; R127-I135 VanDerWaalsContact CD-O 3.23Å; R127-I135 WeakPolarHBondContact CD-O 3.43Å; R127-I135 HydrophobicContact CG-CG2 4.24Å; R127-I135 WeakPolarHBondContact CG-O 3.2Å; W130-I135 HydrophobicContact CG-CB 4.26Å; W130-I135 HydrophobicContact CG-CG2 4.28Å; I135-L239 HydrophobicContact CD1-CD1 3.55Å; I135-L239 HydrophobicContact CD1-CD2 4.08Å; I135-L239 HydrophobicContact CD1-CG 3.75Å; I135-H243 HydrophobicContact CD1-CB 4.38Å; I135-E353 HydrophobicContact CD1-CG 4.38Å; I135-E353 PolarHBondContact N-OE1 2.83Å; I135-L356 HydrophobicContact CD1-CD2 4.47Å
136	A	84.7	Confident	84.7	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	22%	0.222	C	C	.	.	S	Bend	trans	-54.3	151.9	176.8	0	0	0	0	0	111.2	W130 G132 L140	W130-A136 WeakPolarHBondContact O-CB 3.37Å; G132-A136 WeakPolarHBondContact O-CB 3.44Å; A136-L140 HydrophobicContact CB-CB 4.13Å; A136-L140 HydrophobicContact CB-CD2 3.92Å
137	D	80.1	Confident	84.5	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.027	23%	0.234	C	C	.	.			trans	-81.2	179.2	172	71.1	3.9	0	0	0	111.6	R127 R128 T139 L140	R127-D137 HydrophobicContact CB-CB 4.04Å; R128-D137 WeakPolarHBondContact CG-OD2 3.06Å; R128-D137 IonicContact NE-OD2 2.64Å; D137-T139 PolarHBondContact O-N 2.92Å; D137-T139 WeakPolarHBondContact OD1-CB 2.91Å; D137-T139 PolarHBondContact OD1-N 3.23Å; D137-T139 PolarHBondContact OD1-OG1 3.37Å; D137-L140 PolarHBondContact O-N 3.09Å
138	D	74.1	Confident	84.1	Confident	90 Å²	90	52.1 Å²	52.1	48%	0.481	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-4.6	179.9	56.3	-28.9	0	0	0	114
139	T	76.2	Confident	84.1	Confident	87 Å²	87	44.8 Å²	44.8	53%	0.534	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.8	179.5	72.8	0	0	0	0	114	D137 Q141	D137-T139 PolarHBondContact O-N 2.92Å; D137-T139 WeakPolarHBondContact OD1-CB 2.91Å; D137-T139 PolarHBondContact OD1-N 3.23Å; D137-T139 PolarHBondContact OD1-OG1 3.37Å; T139-Q141 PolarHBondContact O-N 3.47Å
140	L	79.6	Confident	84	Confident	28 Å²	28	39.9 Å²	39.9	15%	0.147	21%	0.207	C	C	.	.			trans	-65.1	105.4	177.4	-176.1	64.6	0	0	0	110.7	C131 G132 A136 D137 R143 L146	C131-L140 HydrophobicContact CB-CD1 4.33Å; G132-L140 WeakPolarHBondContact O-CD2 2.79Å; A136-L140 HydrophobicContact CB-CB 4.13Å; A136-L140 HydrophobicContact CB-CD2 3.92Å; D137-L140 PolarHBondContact O-N 3.09Å; L140-R143 HydrophobicContact CD2-CB 4.35Å; L140-R143 HydrophobicContact CD2-CG 4.21Å; L140-L146 HydrophobicContact CD2-CD2 4.42Å
141	Q	80.4	Confident	83.6	Confident	145 Å²	145	41 Å²	41	68%	0.678	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	149.2	171.3	-63.1	-176.9	-13.3	0	0	110.1	T139 R143	T139-Q141 PolarHBondContact O-N 3.47Å; Q141-R143 VanDerWaalsContact C-N 3.3Å; Q141-R143 PolarHBondContact O-N 3.47Å
142	F	81.4	Confident	83.3	Confident	83 Å²	83	42.1 Å²	42.1	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	30.6	175.3	-46.5	-77.1	0	0	0	115.4	S144 E145 L146 F341	F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.17Å; F142-E145 WeakPolarHBondContact CA-OE2 3.19Å; F142-E145 HydrophobicContact CB-CB 4.3Å; F142-E145 HydrophobicContact CB-CG 4.5Å; F142-E145 PolarHBondContact O-N 3.31Å; F142-L146 PolarHBondContact O-N 2.98Å; F142-F341 HydrophobicContact CB-CB 4.23Å; F142-F341 HydrophobicContact CB-CD1 3.78Å; F142-F341 HydrophobicContact CB-CD2 3.52Å; F142-F341 HydrophobicContact CB-CE1 3.97Å; F142-F341 HydrophobicContact CB-CE2 3.72Å; F142-F341 HydrophobicContact CB-CG 3.56Å; F142-F341 HydrophobicContact CB-CZ 3.95Å; F142-F341 HydrophobicContact CD1-CD1 4.34Å; F142-F341 HydrophobicContact CD1-CG 4.47Å; F142-F341 HydrophobicContact CD2-CB 3.29Å; F142-F341 HydrophobicContact CD2-CD1 4.3Å; F142-F341 HydrophobicContact CD2-CD2 4.08Å; F142-F341 AromaticContact CD2-CG 3.65Å; F142-F341 HydrophobicContact CD2-CG 3.65Å; F142-F341 HydrophobicContact CE2-CB 3.71Å; F142-F341 HydrophobicContact CE2-CG 4.47Å; F142-F341 HydrophobicContact CG-CB 3.8Å; F142-F341 AromaticContact CG-CD1 3.89Å; F142-F341 HydrophobicContact CG-CD1 3.89Å; F142-F341 HydrophobicContact CG-CD2 4.07Å; F142-F341 AromaticContact CG-CG 3.64Å; F142-F341 HydrophobicContact CG-CG 3.64Å
143	R	82.3	Confident	83.2	Confident	21 Å²	21	42.1 Å²	42.1	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-39.1	178.8	-169.2	-180	-162	154.6	8.5	112.1	D116 L117 L133 L140 Q141 L146 I147	D116-R143 VanDerWaalsContact CG-NH1 3.32Å; D116-R143 IonicContact OD1-CZ 4Å; D116-R143 IonicContact OD1-NH1 3.05Å; D116-R143 PolarHBondContact OD1-NH1 3Å; D116-R143 IonicContact OD2-NH1 3.17Å; D116-R143 PolarHBondContact OD2-NH1 3.13Å; L117-R143 VanDerWaalsContact CB-NH2 3.33Å; L133-R143 HydrophobicContact CD2-CG 3.75Å; L133-R143 PolarHBondContact O-NE 2.87Å; L133-R143 PolarHBondContact O-NH2 3.22Å; L140-R143 HydrophobicContact CD2-CB 4.35Å; L140-R143 HydrophobicContact CD2-CG 4.21Å; Q141-R143 VanDerWaalsContact C-N 3.3Å; Q141-R143 PolarHBondContact O-N 3.47Å; R143-L146 PolarHBondContact O-N 2.96Å; R143-I147 HydrophobicContact CG-CD1 4.46Å; R143-I147 VanDerWaalsContact O-CG1 3.32Å; R143-I147 WeakPolarHBondContact O-CG1 2.93Å; R143-I147 PolarHBondContact O-N 2.89Å
144	S	79.8	Confident	83.1	Confident	78 Å²	78	42.9 Å²	42.9	55%	0.545	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-44	179.9	-59.8	0	0	0	0	111.6	F142 L146 I147 E148	F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.17Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.73Å; S144-I147 WeakPolarHBondContact O-CB 3.43Å; S144-I147 PolarHBondContact O-N 2.82Å; S144-I147 VanDerWaalsContact O-N 3.15Å; S144-E148 WeakPolarHBondContact O-CG 3.23Å; S144-E148 PolarHBondContact O-N 2.97Å
145	E	84.3	Confident	82.6	Confident	74 Å²	74	47 Å²	47	35%	0.346	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-38.8	177.6	-62.3	85.7	157.1	0	0	110.6	F142 I147 E148 L149 F341	F142-E145 WeakPolarHBondContact CA-OE2 3.19Å; F142-E145 HydrophobicContact CB-CB 4.3Å; F142-E145 HydrophobicContact CB-CG 4.5Å; F142-E145 PolarHBondContact O-N 3.31Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-E148 PolarHBondContact O-N 3.11Å; E145-L149 WeakPolarHBondContact O-CB 3.07Å; E145-L149 PolarHBondContact O-N 3Å; E145-F341 HydrophobicContact CB-CE1 3.56Å; E145-F341 HydrophobicContact CB-CZ 3.61Å; E145-F341 HydrophobicContact CG-CE1 4.36Å
146	L	86.7	Confident	82.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-37.7	172.7	-175.9	60.6	0	0	0	111.9	L133 L140 F142 R143 S144 V150 F341 L342 L350	L133-L146 HydrophobicContact CD1-CG 4.24Å; L133-L146 HydrophobicContact CD2-CB 3.87Å; L133-L146 HydrophobicContact CD2-CD2 3.63Å; L133-L146 HydrophobicContact CD2-CG 3.68Å; L133-L146 HydrophobicContact CG-CD2 3.79Å; L133-L146 HydrophobicContact CG-CG 3.86Å; L140-L146 HydrophobicContact CD2-CD2 4.42Å; F142-L146 PolarHBondContact O-N 2.98Å; R143-L146 PolarHBondContact O-N 2.96Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.73Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.29Å; L146-F341 HydrophobicContact CB-CE2 4.19Å; L146-F341 HydrophobicContact CB-CZ 4.4Å; L146-L342 HydrophobicContact CD1-CD1 3.72Å; L146-L350 HydrophobicContact CD1-CD2 4.14Å
147	I	84.1	Confident	81.8	Confident	50 Å²	50	48 Å²	48	26%	0.256	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-52.9	172.5	-69.5	165.1	0	0	0	109.4	L133 R143 S144 E145 L149 V150 L151	L133-I147 HydrophobicContact CD1-CG1 3.84Å; L133-I147 HydrophobicContact CD2-CD1 4.43Å; L133-I147 HydrophobicContact CD2-CG1 3.61Å; L133-I147 HydrophobicContact CG-CG1 4.35Å; R143-I147 HydrophobicContact CG-CD1 4.46Å; R143-I147 VanDerWaalsContact O-CG1 3.32Å; R143-I147 WeakPolarHBondContact O-CG1 2.93Å; R143-I147 PolarHBondContact O-N 2.89Å; S144-I147 WeakPolarHBondContact O-CB 3.43Å; S144-I147 PolarHBondContact O-N 2.82Å; S144-I147 VanDerWaalsContact O-N 3.15Å; E145-I147 VanDerWaalsContact C-N 3.34Å; I147-L149 VanDerWaalsContact C-N 3.32Å; I147-L149 PolarHBondContact O-N 3.06Å; I147-V150 WeakPolarHBondContact O-CB 3.38Å; I147-V150 PolarHBondContact O-N 2.92Å; I147-L151 HydrophobicContact CG2-CD1 4.1Å; I147-L151 HydrophobicContact CG2-CD2 4.38Å; I147-L151 HydrophobicContact CG2-CG 4.02Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.17Å
148	E	81.2	Confident	81.5	Confident	133 Å²	133	49.3 Å²	49.3	62%	0.621	26%	0.257	S	S	*	.	H	α-helix	trans	-56	-44.4	-178.4	-72.8	179.7	177.5	0	0	112.6	S144 E145 V150 L151 L152	S144-E148 WeakPolarHBondContact O-CG 3.23Å; S144-E148 PolarHBondContact O-N 2.97Å; E145-E148 PolarHBondContact O-N 3.11Å; E148-V150 VanDerWaalsContact C-N 3.32Å; E148-V150 PolarHBondContact O-N 3.13Å; E148-L151 PolarHBondContact O-N 3.49Å; E148-L152 WeakPolarHBondContact O-CB 3.4Å; E148-L152 PolarHBondContact O-N 3.49Å
149	L	86.6	Confident	81.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-43.1	176.3	-177.7	145.9	0	0	0	111.9	E145 I147 A153 L325 T328 Y329 L332 L342	E145-L149 WeakPolarHBondContact O-CB 3.07Å; E145-L149 PolarHBondContact O-N 3Å; I147-L149 VanDerWaalsContact C-N 3.32Å; I147-L149 PolarHBondContact O-N 3.06Å; L149-A153 WeakPolarHBondContact O-CB 3.44Å; L149-A153 PolarHBondContact O-N 2.87Å; L149-L325 HydrophobicContact CD2-CD2 3.47Å; L149-L325 VanDerWaalsContact CD2-CD2 3.47Å; L149-T328 HydrophobicContact CG-CG2 4.35Å; L149-Y329 HydrophobicContact CD1-CD2 4.45Å; L149-L332 HydrophobicContact CB-CD1 4.33Å; L149-L332 HydrophobicContact CD1-CD1 4.29Å; L149-L332 HydrophobicContact CG-CD1 4.39Å; L149-L342 HydrophobicContact CD1-CD2 3.76Å
150	V	88.4	Confident	81.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-44.9	177.8	173	0	0	0	0	111.1	L133 L146 I147 E148 L152 A153 F154 L350 C535	L133-V150 HydrophobicContact CD1-CB 4.49Å; L133-V150 HydrophobicContact CD1-CG2 3.99Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.29Å; I147-V150 WeakPolarHBondContact O-CB 3.38Å; I147-V150 PolarHBondContact O-N 2.92Å; E148-V150 VanDerWaalsContact C-N 3.32Å; E148-V150 PolarHBondContact O-N 3.13Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.29Å; V150-A153 PolarHBondContact O-N 3.04Å; V150-F154 HydrophobicContact CG1-CD2 3.73Å; V150-F154 HydrophobicContact CG1-CE2 3.82Å; V150-F154 WeakPolarHBondContact O-CD2 3.33Å; V150-F154 PolarHBondContact O-N 2.91Å; V150-L350 HydrophobicContact CG2-CD1 3.46Å; V150-L350 VanDerWaalsContact CG2-CD1 3.46Å; V150-L350 HydrophobicContact CG2-CD2 3.24Å; V150-L350 HydrophobicContact CG2-CG 3.89Å; V150-C535 HydrophobicContact CG1-CB 4.26Å; V150-C535 WeakPolarHBondContact CG1-O 3.49Å
151	L	82	Confident	81.3	Confident	29 Å²	29	50.2 Å²	50.2	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-45.7	179.5	-61	-163.9	0	0	0	110.9	I147 E148 F154 N155 Y532	I147-L151 HydrophobicContact CG2-CD1 4.1Å; I147-L151 HydrophobicContact CG2-CD2 4.38Å; I147-L151 HydrophobicContact CG2-CG 4.02Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.17Å; E148-L151 PolarHBondContact O-N 3.49Å; L151-F154 PolarHBondContact O-N 3.05Å; L151-N155 WeakPolarHBondContact O-CB 3.26Å; L151-N155 PolarHBondContact O-N 3.48Å; L151-N155 PolarHBondContact O-ND2 3.35Å; L151-Y532 HydrophobicContact CD1-CD2 4.26Å; L151-Y532 HydrophobicContact CD1-CE1 4.36Å; L151-Y532 HydrophobicContact CD1-CE2 3.69Å; L151-Y532 HydrophobicContact CD2-CD1 3.26Å; L151-Y532 HydrophobicContact CD2-CD2 3.99Å; L151-Y532 HydrophobicContact CD2-CE1 3.23Å; L151-Y532 HydrophobicContact CD2-CE2 3.9Å; L151-Y532 HydrophobicContact CD2-CG 3.7Å; L151-Y532 HydrophobicContact CG-CE1 4.22Å; L151-Y532 HydrophobicContact CG-CE2 4.39Å
152	L	83.2	Confident	81.3	Confident	49 Å²	49	43.6 Å²	43.6	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-41.6	178.9	-174.7	58.8	0	0	0	111.5	E148 V150 N155 S156 T328 Y331 L332	E148-L152 WeakPolarHBondContact O-CB 3.4Å; E148-L152 PolarHBondContact O-N 3.49Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.29Å; L152-N155 PolarHBondContact O-N 3.04Å; L152-S156 VanDerWaalsContact O-CB 3.3Å; L152-S156 WeakPolarHBondContact O-CB 3.09Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 2.85Å; L152-T328 HydrophobicContact CB-CG2 3.85Å; L152-T328 HydrophobicContact CD2-CG2 3.58Å; L152-T328 HydrophobicContact CG-CG2 3.67Å; L152-Y331 HydrophobicContact CD2-CD1 4.33Å; L152-L332 HydrophobicContact CD2-CD1 4.31Å; L152-L332 HydrophobicContact CD2-CD2 3.97Å; L152-L332 HydrophobicContact CD2-CG 4.1Å
153	A	87.6	Confident	81	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-46.2	177.4	0	0	0	0	0	112.1	L149 V150 S156 L157 L321 Q324 L325	L149-A153 WeakPolarHBondContact O-CB 3.44Å; L149-A153 PolarHBondContact O-N 2.87Å; V150-A153 PolarHBondContact O-N 3.04Å; A153-S156 PolarHBondContact O-N 3.04Å; A153-L157 PolarHBondContact O-N 3.44Å; A153-L321 HydrophobicContact CB-CD1 4.27Å; A153-Q324 HydrophobicContact CB-CG 4.31Å; A153-Q324 WeakPolarHBondContact O-CG 3.21Å; A153-L325 HydrophobicContact CB-CD2 3.54Å; A153-L325 HydrophobicContact CB-CG 4.01Å
154	F	86	Confident	80.7	Confident	15 Å²	15	44 Å²	44	7%	0.066	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-42.4	177.1	-88.8	-80.4	0	0	0	112.9	V150 L151 S156 L157 F204 L321 C535 V536 P537 F540	V150-F154 HydrophobicContact CG1-CD2 3.73Å; V150-F154 HydrophobicContact CG1-CE2 3.82Å; V150-F154 WeakPolarHBondContact O-CD2 3.33Å; V150-F154 PolarHBondContact O-N 2.91Å; L151-F154 PolarHBondContact O-N 3.05Å; F154-S156 PolarHBondContact O-N 3.04Å; F154-L157 HydrophobicContact CD1-CD1 3.76Å; F154-L157 HydrophobicContact CE1-CD1 4.3Å; F154-L157 HydrophobicContact CG-CD1 4.49Å; F154-L157 WeakPolarHBondContact O-CB 3.36Å; F154-L157 PolarHBondContact O-N 3.31Å; F154-L157 VanDerWaalsContact O-N 3.16Å; F154-F204 HydrophobicContact CE1-CE1 4.24Å; F154-F204 HydrophobicContact CZ-CE1 4.3Å; F154-L321 HydrophobicContact CD1-CD1 4.34Å; F154-L321 HydrophobicContact CD2-CD1 4.12Å; F154-L321 HydrophobicContact CE1-CD1 4.31Å; F154-L321 HydrophobicContact CE1-CD2 4.07Å; F154-L321 HydrophobicContact CE2-CD1 4.09Å; F154-L321 HydrophobicContact CE2-CD2 3.87Å; F154-L321 HydrophobicContact CG-CD1 4.25Å; F154-L321 HydrophobicContact CZ-CD1 4.19Å; F154-L321 HydrophobicContact CZ-CD2 3.51Å; F154-C535 VanDerWaalsContact CE2-O 3.25Å; F154-C535 WeakPolarHBondContact CE2-O 3.4Å; F154-V536 HydrophobicContact CZ-CG2 4.49Å; F154-P537 HydrophobicContact CB-CG 3.59Å; F154-P537 HydrophobicContact CD1-CG 4.03Å; F154-P537 HydrophobicContact CD2-CG 4.09Å; F154-P537 HydrophobicContact CG-CG 3.66Å; F154-F540 HydrophobicContact CD1-CB 4.12Å; F154-F540 AromaticContact CD1-CD2 3.79Å; F154-F540 HydrophobicContact CD1-CD2 3.79Å; F154-F540 HydrophobicContact CD1-CE2 4.48Å; F154-F540 AromaticContact CD1-CG 3.96Å; F154-F540 HydrophobicContact CD1-CG 3.96Å; F154-F540 HydrophobicContact CE1-CB 4.25Å; F154-F540 HydrophobicContact CE1-CD1 4.08Å; F154-F540 AromaticContact CE1-CD2 3.66Å; F154-F540 HydrophobicContact CE1-CD2 3.66Å; F154-F540 HydrophobicContact CE1-CE1 4.4Å; F154-F540 HydrophobicContact CE1-CE2 4.03Å; F154-F540 AromaticContact CE1-CG 3.7Å; F154-F540 HydrophobicContact CE1-CG 3.7Å; F154-F540 HydrophobicContact CE1-CZ 4.39Å
155	N	78.6	Confident	80.8	Confident	89 Å²	89	40.6 Å²	40.6	48%	0.476	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-23.6	179.1	-71.6	-13.4	0	0	0	112.4	L151 L152	L151-N155 WeakPolarHBondContact O-CB 3.26Å; L151-N155 PolarHBondContact O-N 3.48Å; L151-N155 PolarHBondContact O-ND2 3.35Å; L152-N155 PolarHBondContact O-N 3.04Å
156	S	77.2	Confident	80.7	Confident	13 Å²	13	37.1 Å²	37.1	9%	0.091	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.9	179.2	-52.1	0	0	0	0	113.4	L152 A153 F154 P158	L152-S156 VanDerWaalsContact O-CB 3.3Å; L152-S156 WeakPolarHBondContact O-CB 3.09Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 2.85Å; A153-S156 PolarHBondContact O-N 3.04Å; F154-S156 PolarHBondContact O-N 3.04Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å
157	L	78.3	Confident	80.4	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.073	20%	0.196	C	C	.	.	S	Bend	trans	-65.9	127.3	176.2	-78.4	173.9	0	0	0	110.8	A153 F154 I159 L321 Q324 F540	A153-L157 PolarHBondContact O-N 3.44Å; F154-L157 HydrophobicContact CD1-CD1 3.76Å; F154-L157 HydrophobicContact CE1-CD1 4.3Å; F154-L157 HydrophobicContact CG-CD1 4.49Å; F154-L157 WeakPolarHBondContact O-CB 3.36Å; F154-L157 PolarHBondContact O-N 3.31Å; F154-L157 VanDerWaalsContact O-N 3.16Å; L157-I159 PolarHBondContact O-N 3.27Å; L157-L321 HydrophobicContact CD1-CD1 4.24Å; L157-L321 HydrophobicContact CD2-CB 4.46Å; L157-L321 HydrophobicContact CD2-CD1 4.49Å; L157-Q324 HydrophobicContact CD2-CB 4.07Å; L157-Q324 HydrophobicContact CD2-CG 4.3Å; L157-F540 HydrophobicContact CD1-CD2 4.4Å; L157-F540 HydrophobicContact CD1-CE2 4.43Å
158	P	74.1	Confident	80.3	Confident	32 Å²	32	39.1 Å²	39.1	21%	0.208	19%	0.189	C	C	.	.			trans	-62.1	128.3	178.2	-23.9	33.7	0	0	0	111.7	S156 K160 I161 T319	S156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-K160 PolarHBondContact O-N 3.31Å; P158-I161 WeakPolarHBondContact O-CB 3.37Å; P158-I161 WeakPolarHBondContact O-CG2 3.35Å; P158-I161 PolarHBondContact O-N 3.38Å; P158-T319 WeakPolarHBondContact CD-OG1 3.21Å; P158-T319 WeakPolarHBondContact CG-OG1 2.78Å
159	I	74.6	Confident	80.5	Confident	94 Å²	94	32.8 Å²	32.8	48%	0.482	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.5	179.4	-72.9	169.4	0	0	0	112.6	L157 I161 F162 L417	L157-I159 PolarHBondContact O-N 3.27Å; I159-I161 PolarHBondContact O-N 3.06Å; I159-F162 WeakPolarHBondContact O-CD2 3.2Å; I159-F162 PolarHBondContact O-N 3.46Å; I159-L417 HydrophobicContact CG2-CB 4.16Å; I159-L417 HydrophobicContact CG2-CD1 3.55Å; I159-L417 HydrophobicContact CG2-CG 3.92Å
160	K	73.1	Confident	80.5	Confident	124 Å²	124	32.8 Å²	32.8	54%	0.539	16%	0.159	S	C	.	.	H	α-helix	trans	-55.6	-24.6	177.6	-66.8	-179.9	-177.3	172.1	0	113.7	P158 F162 E163 R164	P158-K160 PolarHBondContact O-N 3.31Å; K160-F162 PolarHBondContact O-N 3.37Å; K160-E163 WeakPolarHBondContact O-CB 3.2Å; K160-E163 PolarHBondContact O-N 2.98Å; K160-R164 PolarHBondContact O-N 3.37Å
161	I	77.9	Confident	80.3	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-45.9	179.6	-157.9	-174.1	0	0	0	111.1	P158 I159 E163 R164 I165 V203 T319	P158-I161 WeakPolarHBondContact O-CB 3.37Å; P158-I161 WeakPolarHBondContact O-CG2 3.35Å; P158-I161 PolarHBondContact O-N 3.38Å; I159-I161 PolarHBondContact O-N 3.06Å; I161-E163 PolarHBondContact O-N 3.43Å; I161-R164 PolarHBondContact O-N 2.97Å; I161-I165 HydrophobicContact CD1-CD1 4.32Å; I161-I165 HydrophobicContact CG1-CD1 3.88Å; I161-I165 VanDerWaalsContact O-CD1 3.26Å; I161-I165 WeakPolarHBondContact O-CD1 3.35Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.1Å; I161-I165 PolarHBondContact O-N 3.42Å; I161-I165 VanDerWaalsContact O-N 3.1Å; I161-V203 HydrophobicContact CD1-CB 4.46Å; I161-V203 HydrophobicContact CD1-CG1 4.02Å; I161-T319 VanDerWaalsContact CD1-O 3.23Å; I161-T319 WeakPolarHBondContact CD1-O 3.49Å
162	F	80.2	Confident	80.4	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-40.8	-177.9	-64.3	-77.4	0	0	0	110.1	I159 K160 R164 I165 G166 F540 L543 M544 T547	I159-F162 WeakPolarHBondContact O-CD2 3.2Å; I159-F162 PolarHBondContact O-N 3.46Å; K160-F162 PolarHBondContact O-N 3.37Å; F162-R164 PolarHBondContact O-N 3.2Å; F162-I165 WeakPolarHBondContact O-CB 3.46Å; F162-I165 PolarHBondContact O-N 3.34Å; F162-I165 VanDerWaalsContact O-N 3.1Å; F162-G166 PolarHBondContact O-N 3.45Å; F162-F540 AromaticContact CE1-CD2 3.77Å; F162-F540 HydrophobicContact CE1-CD2 3.77Å; F162-F540 AromaticContact CE1-CE2 3.71Å; F162-F540 HydrophobicContact CE1-CE2 3.71Å; F162-F540 AromaticContact CZ-CD2 3.72Å; F162-F540 HydrophobicContact CZ-CD2 3.72Å; F162-F540 AromaticContact CZ-CE2 3.98Å; F162-F540 HydrophobicContact CZ-CE2 3.98Å; F162-L543 HydrophobicContact CD1-CB 3.87Å; F162-L543 HydrophobicContact CD2-CB 4.39Å; F162-L543 HydrophobicContact CD2-CD1 4.27Å; F162-L543 HydrophobicContact CE1-CB 3.7Å; F162-L543 HydrophobicContact CE1-CD1 4.45Å; F162-L543 HydrophobicContact CE2-CB 4.25Å; F162-L543 HydrophobicContact CE2-CD1 3.68Å; F162-L543 HydrophobicContact CG-CB 4.23Å; F162-L543 HydrophobicContact CZ-CB 3.9Å; F162-L543 HydrophobicContact CZ-CD1 3.78Å; F162-M544 HydrophobicContact CD1-CG 4.18Å; F162-M544 HydrophobicContact CD1-SD 3.71Å; F162-M544 HydrophobicContact CE1-CG 3.9Å; F162-M544 HydrophobicContact CE1-SD 3.83Å; F162-T547 HydrophobicContact CB-CG2 4.3Å; F162-T547 WeakPolarHBondContact O-CG2 3.48Å
163	E	74	Confident	80.3	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-50.1	-177.5	-39.8	-174.8	156.4	0	0	112.7	K160 I161 I165 G166 H167 M415 S416	K160-E163 WeakPolarHBondContact O-CB 3.2Å; K160-E163 PolarHBondContact O-N 2.98Å; I161-E163 PolarHBondContact O-N 3.43Å; E163-I165 VanDerWaalsContact C-N 3.26Å; E163-I165 PolarHBondContact O-N 3.38Å; E163-G166 PolarHBondContact O-N 2.98Å; E163-H167 PolarHBondContact O-N 3.38Å; E163-H167 VanDerWaalsContact O-N 3.11Å; E163-M415 HydrophobicContact CB-CB 3.77Å; E163-M415 HydrophobicContact CB-CE 4Å; E163-M415 HydrophobicContact CB-CG 4.11Å; E163-M415 VanDerWaalsContact CD-CB 3.43Å; E163-M415 HydrophobicContact CG-CB 3.59Å; E163-M415 HydrophobicContact CG-CE 4.14Å; E163-M415 HydrophobicContact CG-CG 4.41Å; E163-M415 WeakPolarHBondContact OE2-CA 3.29Å; E163-M415 PolarHBondContact OE2-N 3.41Å; E163-S416 WeakPolarHBondContact OE1-CA 3.3Å; E163-S416 PolarHBondContact OE1-N 3.27Å; E163-S416 VanDerWaalsContact OE1-N 3.09Å
164	R	76.2	Confident	80.1	Confident	104 Å²	104	44.9 Å²	44.9	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-42.8	175.2	178.7	172.4	172.7	149.9	-8.8	110.7	K160 I161 F162 H167 L168 P208	K160-R164 PolarHBondContact O-N 3.37Å; I161-R164 PolarHBondContact O-N 2.97Å; F162-R164 PolarHBondContact O-N 3.2Å; R164-H167 PolarHBondContact O-N 2.98Å; R164-L168 HydrophobicContact CG-CD1 3.79Å; R164-L168 HydrophobicContact CG-CG 4.11Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 WeakPolarHBondContact O-CG 3.47Å; R164-L168 PolarHBondContact O-N 2.71Å; R164-P208 PolarHBondContact NH1-O 2.93Å; R164-P208 VanDerWaalsContact NH1-O 3.17Å; R164-P208 PolarHBondContact NH2-O 2.74Å
165	I	82	Confident	80.1	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-42.6	-179.8	-69	155.8	0	0	0	111.7	I161 F162 E163 H167 L168 G169 V199 E202 V203 M544	I161-I165 HydrophobicContact CD1-CD1 4.32Å; I161-I165 HydrophobicContact CG1-CD1 3.88Å; I161-I165 VanDerWaalsContact O-CD1 3.26Å; I161-I165 WeakPolarHBondContact O-CD1 3.35Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.1Å; I161-I165 PolarHBondContact O-N 3.42Å; I161-I165 VanDerWaalsContact O-N 3.1Å; F162-I165 WeakPolarHBondContact O-CB 3.46Å; F162-I165 PolarHBondContact O-N 3.34Å; F162-I165 VanDerWaalsContact O-N 3.1Å; E163-I165 VanDerWaalsContact C-N 3.26Å; E163-I165 PolarHBondContact O-N 3.38Å; I165-H167 VanDerWaalsContact C-N 3.32Å; I165-H167 PolarHBondContact O-N 3.47Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-G169 WeakPolarHBondContact O-CA 3.42Å; I165-G169 PolarHBondContact O-N 2.99Å; I165-V199 HydrophobicContact CG2-CB 4.48Å; I165-V199 HydrophobicContact CG2-CG1 3.51Å; I165-E202 HydrophobicContact CG1-CB 4.21Å; I165-V203 HydrophobicContact CD1-CB 3.99Å; I165-V203 HydrophobicContact CD1-CG1 4.42Å; I165-V203 HydrophobicContact CD1-CG2 3.15Å; I165-V203 HydrophobicContact CG1-CG2 4.15Å; I165-M544 HydrophobicContact CD1-SD 4.45Å; I165-M544 HydrophobicContact CG2-CE 4.11Å
166	G	82.5	Confident	80.4	Confident	2 Å²	2	41 Å²	41	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-46.2	175.8	0	0	0	0	0	111.5	F162 E163 G169 A170 T547 H551	F162-G166 PolarHBondContact O-N 3.45Å; E163-G166 PolarHBondContact O-N 2.98Å; G166-G169 PolarHBondContact O-N 2.87Å; G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.24Å; G166-A170 PolarHBondContact O-N 3.21Å; G166-T547 VanDerWaalsContact CA-CG2 3.49Å; G166-H551 VanDerWaalsContact C-CD2 3.44Å; G166-H551 WeakPolarHBondContact CA-ND1 3.34Å; G166-H551 VanDerWaalsContact O-CB 3.23Å; G166-H551 WeakPolarHBondContact O-CB 3.17Å
167	H	79.7	Confident	80.8	Confident	71 Å²	71	42.9 Å²	42.9	33%	0.329	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-53	177.3	-179.7	67.9	0	0	0	112	E163 R164 I165 G169 A170 D171 H551	E163-H167 PolarHBondContact O-N 3.38Å; E163-H167 VanDerWaalsContact O-N 3.11Å; R164-H167 PolarHBondContact O-N 2.98Å; I165-H167 VanDerWaalsContact C-N 3.32Å; I165-H167 PolarHBondContact O-N 3.47Å; H167-G169 VanDerWaalsContact C-N 3.26Å; H167-G169 PolarHBondContact O-N 3.38Å; H167-A170 PolarHBondContact O-N 2.93Å; H167-D171 WeakPolarHBondContact O-CB 3.17Å; H167-D171 PolarHBondContact O-N 3.17Å; H167-H551 VanDerWaalsContact CA-CD2 3.42Å; H167-H551 WeakPolarHBondContact CA-CD2 3.45Å; H167-H551 PolarHBondContact N-CD2 2.94Å; H167-H551 VanDerWaalsContact N-CD2 3.3Å; H167-H551 PolarHBondContact N-NE2 3.28Å
168	L	83.4	Confident	81.3	Confident	23 Å²	23	44 Å²	44	12%	0.12	22%	0.22	C	C	.	.	H	α-helix	trans	-56.1	-42.8	177.4	-71.8	176.4	0	0	0	111.9	R164 I165 L174 L175 E202	R164-L168 HydrophobicContact CG-CD1 3.79Å; R164-L168 HydrophobicContact CG-CG 4.11Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 WeakPolarHBondContact O-CG 3.47Å; R164-L168 PolarHBondContact O-N 2.71Å; I165-L168 PolarHBondContact O-N 2.96Å; L168-L174 HydrophobicContact CD2-CD1 3.6Å; L168-L175 HydrophobicContact CB-CD1 4.3Å; L168-L175 VanDerWaalsContact O-CB 3.31Å; L168-L175 WeakPolarHBondContact O-CB 3.37Å; L168-L175 PolarHBondContact O-N 3.06Å; L168-L175 VanDerWaalsContact O-N 3.13Å; L168-E202 HydrophobicContact CD1-CG 4.17Å
169	G	85.3	Confident	82	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-38	-179.1	0	0	0	0	0	113.1	I165 G166 H167 G176 W195 F552	I165-G169 WeakPolarHBondContact O-CA 3.42Å; I165-G169 PolarHBondContact O-N 2.99Å; G166-G169 PolarHBondContact O-N 2.87Å; H167-G169 VanDerWaalsContact C-N 3.26Å; H167-G169 PolarHBondContact O-N 3.38Å; G169-G176 WeakPolarHBondContact O-CA 3.41Å; G169-G176 PolarHBondContact O-N 3.38Å; G169-W195 PolarHBondContact O-NE1 3.43Å; G169-F552 WeakPolarHBondContact O-CE1 3.47Å
170	A	86.9	Confident	82.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-90.6	-20.6	-175.5	0	0	0	0	0	114.1	G166 H167 P172 H551 F552 W557	G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.24Å; G166-A170 PolarHBondContact O-N 3.21Å; H167-A170 PolarHBondContact O-N 2.93Å; A170-P172 WeakPolarHBondContact O-CD 3.33Å; A170-H551 HydrophobicContact CB-CB 3.65Å; A170-F552 HydrophobicContact CB-CD1 3.58Å; A170-F552 HydrophobicContact CB-CE1 3.98Å; A170-W557 PolarHBondContact O-NE1 3.04Å
171	D	84.5	Confident	82.2	Confident	36 Å²	36	36.7 Å²	36.7	19%	0.193	19%	0.191	C	C	.	.			trans	-69.4	116.2	-178.4	-172.4	-19.1	0	0	0	110.7	H167 Q173 L174 G176	H167-D171 WeakPolarHBondContact O-CB 3.17Å; H167-D171 PolarHBondContact O-N 3.17Å; D171-Q173 PolarHBondContact O-N 3.39Å; D171-Q173 VanDerWaalsContact O-N 3.16Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.37Å; D171-Q173 PolarHBondContact OD1-N 3.09Å; D171-L174 HydrophobicContact CB-CB 4.07Å; D171-L174 HydrophobicContact CB-CD1 4.04Å; D171-L174 HydrophobicContact CB-CG 4.09Å; D171-L174 CarbonylContact O-C 3.56Å; D171-L174 PolarHBondContact O-N 2.95Å; D171-G176 WeakPolarHBondContact O-CA 3.3Å; D171-G176 PolarHBondContact O-N 2.94Å
172	P	84	Confident	81.4	Confident	48 Å²	48	41.7 Å²	41.7	31%	0.312	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.6	178.2	-20.1	33.9	0	0	0	114.3	A170 S177 W557 I588	A170-P172 WeakPolarHBondContact O-CD 3.33Å; P172-S177 WeakPolarHBondContact O-CA 3.37Å; P172-S177 WeakPolarHBondContact O-CB 3.2Å; P172-S177 PolarHBondContact O-N 3.13Å; P172-W557 HydrophobicContact CG-CZ2 4.1Å; P172-I588 HydrophobicContact CB-CD1 3.59Å; P172-I588 HydrophobicContact CG-CD1 3.34Å; P172-I588 HydrophobicContact CG-CG1 4.26Å
173	Q	81	Confident	80.2	Confident	173 Å²	173	47.5 Å²	47.5	81%	0.808	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.9	174.4	-58	-176.3	-0	0	0	112.5	D171	D171-Q173 PolarHBondContact O-N 3.39Å; D171-Q173 VanDerWaalsContact O-N 3.16Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.37Å; D171-Q173 PolarHBondContact OD1-N 3.09Å
174	L	83.1	Confident	79.4	Confident	76 Å²	76	54.1 Å²	54.1	40%	0.398	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-125	-178.8	-56.2	176.3	0	0	0	110.2	L168 D171 G176 S177	L168-L174 HydrophobicContact CD2-CD1 3.6Å; D171-L174 HydrophobicContact CB-CB 4.07Å; D171-L174 HydrophobicContact CB-CD1 4.04Å; D171-L174 HydrophobicContact CB-CG 4.09Å; D171-L174 CarbonylContact O-C 3.56Å; D171-L174 PolarHBondContact O-N 2.95Å; L174-G176 VanDerWaalsContact C-N 3.27Å; L174-G176 PolarHBondContact O-N 3.24Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 PolarHBondContact O-OG 2.76Å
175	L	85.7	Confident	78.7	Confident	23 Å²	23	54.9 Å²	54.9	12%	0.12	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-70.9	-25.4	-177.1	-56.9	-177.1	0	0	0	112.1	L168 S177 I178 V199 E202	L168-L175 HydrophobicContact CB-CD1 4.3Å; L168-L175 VanDerWaalsContact O-CB 3.31Å; L168-L175 WeakPolarHBondContact O-CB 3.37Å; L168-L175 PolarHBondContact O-N 3.06Å; L168-L175 VanDerWaalsContact O-N 3.13Å; L175-S177 PolarHBondContact O-N 2.96Å; L175-I178 HydrophobicContact CD2-CD1 4.5Å; L175-I178 WeakPolarHBondContact O-CB 3.33Å; L175-I178 WeakPolarHBondContact O-CG1 3.21Å; L175-I178 PolarHBondContact O-N 3.42Å; L175-I178 VanDerWaalsContact O-N 3.15Å; L175-V199 HydrophobicContact CD1-CG2 4Å; L175-E202 HydrophobicContact CD1-CG 4.22Å
176	G	84.8	Confident	78.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25.3	175.3	0	0	0	0	0	113.1	G169 D171 L174 I178 L179 W557	G169-G176 WeakPolarHBondContact O-CA 3.41Å; G169-G176 PolarHBondContact O-N 3.38Å; D171-G176 WeakPolarHBondContact O-CA 3.3Å; D171-G176 PolarHBondContact O-N 2.94Å; L174-G176 VanDerWaalsContact C-N 3.27Å; L174-G176 PolarHBondContact O-N 3.24Å; G176-I178 PolarHBondContact O-N 2.93Å; G176-I178 VanDerWaalsContact O-N 3.16Å; G176-L179 WeakPolarHBondContact O-CB 3.45Å; G176-L179 PolarHBondContact O-N 2.89Å; G176-W557 WeakPolarHBondContact O-CH2 3.42Å
177	S	86.7	Confident	78.5	Confident	53 Å²	53	63.6 Å²	63.6	37%	0.371	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.6	174.6	66.9	0	0	0	0	113.1	P172 L174 L175 L179 V180	P172-S177 WeakPolarHBondContact O-CA 3.37Å; P172-S177 WeakPolarHBondContact O-CB 3.2Å; P172-S177 PolarHBondContact O-N 3.13Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 PolarHBondContact O-OG 2.76Å; L175-S177 PolarHBondContact O-N 2.96Å; S177-L179 PolarHBondContact O-N 2.79Å; S177-V180 PolarHBondContact O-N 2.91Å
178	I	87.5	Confident	79	Confident	38 Å²	38	61 Å²	61	20%	0.195	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30.4	178.4	-58.3	170.8	0	0	0	110.9	L175 G176 R191 M194 W195 S198	L175-I178 HydrophobicContact CD2-CD1 4.5Å; L175-I178 WeakPolarHBondContact O-CB 3.33Å; L175-I178 WeakPolarHBondContact O-CG1 3.21Å; L175-I178 PolarHBondContact O-N 3.42Å; L175-I178 VanDerWaalsContact O-N 3.15Å; G176-I178 PolarHBondContact O-N 2.93Å; G176-I178 VanDerWaalsContact O-N 3.16Å; I178-R191 WeakPolarHBondContact CG2-O 3.39Å; I178-R191 WeakPolarHBondContact O-CB 3.32Å; I178-R191 WeakPolarHBondContact O-CD 3.34Å; I178-M194 HydrophobicContact CG2-CB 3.88Å; I178-W195 HydrophobicContact CB-CB 4.39Å; I178-W195 HydrophobicContact CG2-CB 4.11Å; I178-S198 WeakPolarHBondContact CD1-OG 3.44Å
179	L	88.6	Confident	79.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-89.3	-5.7	-179.8	-61.7	176.4	0	0	0	113.2	G176 S177 F188 R191 L192 W195 F552 W557 L586	G176-L179 WeakPolarHBondContact O-CB 3.45Å; G176-L179 PolarHBondContact O-N 2.89Å; S177-L179 PolarHBondContact O-N 2.79Å; L179-F188 HydrophobicContact CD2-CE2 4.4Å; L179-R191 VanDerWaalsContact C-NH1 3.28Å; L179-R191 PolarHBondContact O-NH1 3.26Å; L179-L192 HydrophobicContact CD2-CD1 4.39Å; L179-W195 HydrophobicContact CD1-CB 4.46Å; L179-W195 HydrophobicContact CD1-CD2 4Å; L179-W195 HydrophobicContact CD1-CG 3.77Å; L179-W195 HydrophobicContact CD2-CB 3.76Å; L179-W195 HydrophobicContact CD2-CG 3.97Å; L179-W195 HydrophobicContact CG-CB 4.01Å; L179-W195 HydrophobicContact CG-CD2 4.5Å; L179-W195 HydrophobicContact CG-CG 3.78Å; L179-F552 HydrophobicContact CD1-CE1 4.42Å; L179-F552 HydrophobicContact CD1-CE2 3.74Å; L179-F552 HydrophobicContact CD1-CZ 3.41Å; L179-F552 VanDerWaalsContact CD1-CZ 3.41Å; L179-W557 HydrophobicContact CB-CH2 3.76Å; L179-W557 HydrophobicContact CB-CZ3 3.89Å; L179-L586 HydrophobicContact CD1-CD1 3.97Å
180	V	83.7	Confident	79.3	Confident	50 Å²	50	68.4 Å²	68.4	30%	0.303	37%	0.372	S	S	.	.	S	Bend	trans	-86.8	124.9	174.5	-176.8	0	0	0	0	109	S177 T182 W557 I588	S177-V180 PolarHBondContact O-N 2.91Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 HydrophobicContact CG1-CG2 4.19Å; V180-T182 PolarHBondContact O-N 2.85Å; V180-W557 HydrophobicContact CG2-CH2 3.77Å; V180-W557 HydrophobicContact CG2-CZ3 4.46Å; V180-I588 HydrophobicContact CG2-CD1 3.82Å
181	S	69.1	Low	79.5	Confident	46 Å²	46	69.1 Å²	69.1	32%	0.322	38%	0.375	S	S	.	.			trans	-71.8	88.9	171.7	-174.6	0	0	0	0	109.2	N183 N184	S181-N183 VanDerWaalsContact C-N 3.3Å; S181-N184 WeakPolarHBondContact OG-CA 3.11Å; S181-N184 PolarHBondContact OG-N 3.34Å; S181-N184 VanDerWaalsContact OG-N 3.14Å; S181-N184 PolarHBondContact OG-OD1 3.35Å
182	T	59.9	Low	79.8	Confident	111 Å²	111	67.5 Å²	67.5	68%	0.681	37%	0.366	S	S	*	.	S	Bend	trans	-76	-19.1	178	48.8	0	0	0	0	112.5	V180	V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 HydrophobicContact CG1-CG2 4.19Å; V180-T182 PolarHBondContact O-N 2.85Å
183	N	56	Low	80.2	Confident	129 Å²	129	65.7 Å²	65.7	69%	0.69	35%	0.354	S	S	*	.	S	Bend	trans	-157.3	19	-176.3	-78.1	-47.6	0	0	0	115.8	S181 C185	S181-N183 VanDerWaalsContact C-N 3.3Å; N183-C185 PolarHBondContact O-N 3Å; N183-C185 PolarHBondContact O-SG 2.96Å; N183-C185 VanDerWaalsContact O-SG 3.36Å
184	N	56.9	Low	80.6	Confident	146 Å²	146	60 Å²	60	78%	0.781	33%	0.328	S	S	*	.	S	Bend	trans	55.3	12.4	-174.5	-75.9	-14	0	0	0	116	S181 A186	S181-N184 WeakPolarHBondContact OG-CA 3.11Å; S181-N184 PolarHBondContact OG-N 3.34Å; S181-N184 VanDerWaalsContact OG-N 3.14Å; S181-N184 PolarHBondContact OG-OD1 3.35Å; N184-A186 PolarHBondContact O-N 3.45Å
185	C	62.3	Low	81.1	Confident	120 Å²	120	56.5 Å²	56.5	81%	0.811	31%	0.31	S	S	*	.			trans	-73.4	-25	-171.3	-63.1	0	0	0	0	114.5	N183	N183-C185 PolarHBondContact O-N 3Å; N183-C185 PolarHBondContact O-SG 2.96Å; N183-C185 VanDerWaalsContact O-SG 3.36Å
186	A	75.2	Confident	81.5	Confident	32 Å²	32	55.6 Å²	55.6	26%	0.264	31%	0.305	S	S	.	.	S	Bend	trans	-128.3	133.1	-177.6	0	0	0	0	0	111.7	N184 K190 R191	N184-A186 PolarHBondContact O-N 3.45Å; A186-K190 HydrophobicContact CB-CD 4.4Å; A186-R191 HydrophobicContact CB-CG 3.87Å; A186-R191 PolarHBondContact O-NE 2.91Å
187	K	85.3	Confident	81.9	Confident	159 Å²	159	55.6 Å²	55.6	69%	0.691	31%	0.305	S	S	*	.			trans	-57.3	147.3	171.4	-62.4	-177.4	178.1	176.6	0	110.4	E189 K190 R191	K187-E189 WeakPolarHBondContact CB-OE2 3.21Å; K187-E189 PolarHBondContact O-N 3.29Å; K187-K190 PolarHBondContact O-N 3.45Å; K187-R191 PolarHBondContact O-N 3.35Å
188	F	88.2	Confident	82.1	Confident	16 Å²	16	53.5 Å²	53.5	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-52.1	-39.8	-179	177.3	-112.5	0	0	0	112.5	L179 K190 R191 L192 L370 A584 D585 L586	L179-F188 HydrophobicContact CD2-CE2 4.4Å; F188-K190 VanDerWaalsContact C-N 3.28Å; F188-K190 PolarHBondContact O-N 3.46Å; F188-R191 PolarHBondContact O-N 3.02Å; F188-R191 VanDerWaalsContact O-N 3.14Å; F188-L192 HydrophobicContact CE1-CB 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.99Å; F188-L192 HydrophobicContact CZ-CB 4.26Å; F188-L192 HydrophobicContact CZ-CD1 4.35Å; F188-L192 HydrophobicContact CZ-CD2 4.18Å; F188-L192 WeakPolarHBondContact O-CB 3.06Å; F188-L192 PolarHBondContact O-N 2.8Å; F188-L370 HydrophobicContact CE1-CD1 4.31Å; F188-L370 HydrophobicContact CZ-CD1 3.7Å; F188-A584 WeakPolarHBondContact CD1-O 2.93Å; F188-D585 HydrophobicContact CD2-CB 4.45Å; F188-D585 WeakPolarHBondContact CD2-OD1 3.21Å; F188-D585 HydrophobicContact CG-CB 4.47Å; F188-L586 HydrophobicContact CE2-CB 4.28Å; F188-L586 HydrophobicContact CE2-CD1 4.14Å; F188-L586 HydrophobicContact CE2-CG 4.15Å; F188-L586 HydrophobicContact CZ-CD1 4.29Å; F188-L586 HydrophobicContact CZ-CG 4.33Å
189	E	87.4	Confident	82.2	Confident	60 Å²	60	51.8 Å²	51.8	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-36.2	-179.5	-59.3	89.6	162	0	0	112.7	K187 D193	K187-E189 WeakPolarHBondContact CB-OE2 3.21Å; K187-E189 PolarHBondContact O-N 3.29Å; E189-D193 VanDerWaalsContact O-CB 3.31Å; E189-D193 WeakPolarHBondContact O-CB 3.34Å; E189-D193 PolarHBondContact O-N 3.05Å
190	K	88.1	Confident	82.4	Confident	119 Å²	119	51.9 Å²	51.9	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-72.6	-41	176.9	-173.9	179.1	178.2	-176.2	0	111	A186 K187 F188 D193 M194	A186-K190 HydrophobicContact CB-CD 4.4Å; K187-K190 PolarHBondContact O-N 3.45Å; F188-K190 VanDerWaalsContact C-N 3.28Å; F188-K190 PolarHBondContact O-N 3.46Å; K190-D193 PolarHBondContact O-N 2.88Å; K190-M194 HydrophobicContact CG-SD 4.49Å; K190-M194 WeakPolarHBondContact O-CG 3.49Å; K190-M194 PolarHBondContact O-N 3.36Å
191	R	90.7	Very high	82.7	Confident	16 Å²	16	49.5 Å²	49.5	6%	0.06	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-45.4	176.8	-70.3	-172.1	-71.1	110.5	-3.8	111.3	I178 L179 A186 K187 F188 M194 W195 D585	I178-R191 WeakPolarHBondContact CG2-O 3.39Å; I178-R191 WeakPolarHBondContact O-CB 3.32Å; I178-R191 WeakPolarHBondContact O-CD 3.34Å; L179-R191 VanDerWaalsContact C-NH1 3.28Å; L179-R191 PolarHBondContact O-NH1 3.26Å; A186-R191 HydrophobicContact CB-CG 3.87Å; A186-R191 PolarHBondContact O-NE 2.91Å; K187-R191 PolarHBondContact O-N 3.35Å; F188-R191 PolarHBondContact O-N 3.02Å; F188-R191 VanDerWaalsContact O-N 3.14Å; R191-M194 PolarHBondContact O-N 2.91Å; R191-W195 WeakPolarHBondContact O-CB 3.44Å; R191-W195 PolarHBondContact O-N 2.74Å; R191-D585 IonicContact CZ-OD1 3.98Å; R191-D585 IonicContact NH1-OD1 2.99Å; R191-D585 IonicContact NH2-OD1 3.67Å; R191-D585 PolarHBondContact NH2-OD1 2.94Å; R191-D585 IonicContact NH2-OD2 3.79Å; R191-D585 PolarHBondContact NH2-OD2 3Å
192	L	92.3	Very high	83.6	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-45.3	176.3	-177.1	63.9	0	0	0	111.5	L179 F188 M194 W195 I196 L366 K367	L179-L192 HydrophobicContact CD2-CD1 4.39Å; F188-L192 HydrophobicContact CE1-CB 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.99Å; F188-L192 HydrophobicContact CZ-CB 4.26Å; F188-L192 HydrophobicContact CZ-CD1 4.35Å; F188-L192 HydrophobicContact CZ-CD2 4.18Å; F188-L192 WeakPolarHBondContact O-CB 3.06Å; F188-L192 PolarHBondContact O-N 2.8Å; L192-M194 PolarHBondContact O-N 3.01Å; L192-W195 HydrophobicContact CD1-CE3 4.23Å; L192-W195 PolarHBondContact O-N 2.81Å; L192-I196 HydrophobicContact CD1-CD1 4.35Å; L192-I196 HydrophobicContact CD1-CG1 4.44Å; L192-I196 HydrophobicContact CG-CD1 3.98Å; L192-I196 HydrophobicContact CG-CG1 4.49Å; L192-I196 VanDerWaalsContact O-CG1 3.25Å; L192-I196 WeakPolarHBondContact O-CG1 3.49Å; L192-I196 PolarHBondContact O-N 3.28Å; L192-L366 HydrophobicContact CD1-CD1 4.33Å; L192-K367 HydrophobicContact CD2-CB 4.41Å
193	D	91.4	Very high	85	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-42.6	177.6	-177.3	72.9	0	0	0	112.6	E189 K190 I196 C197 R233 R359	E189-D193 VanDerWaalsContact O-CB 3.31Å; E189-D193 WeakPolarHBondContact O-CB 3.34Å; E189-D193 PolarHBondContact O-N 3.05Å; K190-D193 PolarHBondContact O-N 2.88Å; D193-I196 PolarHBondContact O-N 2.86Å; D193-C197 PolarHBondContact O-N 3.31Å; D193-C197 VanDerWaalsContact O-N 3.09Å; D193-C197 PolarHBondContact O-SG 3.08Å; D193-R233 IonicContact OD2-CZ 3.87Å; D193-R233 IonicContact OD2-NE 3.61Å; D193-R233 PolarHBondContact OD2-NE 3.12Å; D193-R233 IonicContact OD2-NH2 3.2Å; D193-R233 PolarHBondContact OD2-NH2 3.46Å; D193-R359 WeakPolarHBondContact OD1-CD 3.4Å; D193-R359 IonicContact OD1-CZ 3.4Å; D193-R359 IonicContact OD1-NE 2.78Å; D193-R359 IonicContact OD1-NH1 3.05Å; D193-R359 PolarHBondContact OD1-NH1 3.43Å
194	M	90.2	Very high	86.7	Confident	55 Å²	55	36.1 Å²	36.1	27%	0.271	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-45.2	172.5	-73.2	177.1	62.9	0	0	111.8	I178 K190 R191 L192 I196 C197 S198 L230	I178-M194 HydrophobicContact CG2-CB 3.88Å; K190-M194 HydrophobicContact CG-SD 4.49Å; K190-M194 WeakPolarHBondContact O-CG 3.49Å; K190-M194 PolarHBondContact O-N 3.36Å; R191-M194 PolarHBondContact O-N 2.91Å; L192-M194 PolarHBondContact O-N 3.01Å; M194-I196 PolarHBondContact O-N 3.34Å; M194-C197 PolarHBondContact O-N 2.78Å; M194-S198 PolarHBondContact O-N 3.13Å; M194-S198 PolarHBondContact O-OG 2.93Å; M194-L230 HydrophobicContact CE-CD2 4.33Å
195	W	92.9	Very high	88.2	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-45.3	178.1	176.9	91.7	0	0	0	111.8	G169 I178 L179 R191 L192 C197 S198 V199 L366 T548 F552	G169-W195 PolarHBondContact O-NE1 3.43Å; I178-W195 HydrophobicContact CB-CB 4.39Å; I178-W195 HydrophobicContact CG2-CB 4.11Å; L179-W195 HydrophobicContact CD1-CB 4.46Å; L179-W195 HydrophobicContact CD1-CD2 4Å; L179-W195 HydrophobicContact CD1-CG 3.77Å; L179-W195 HydrophobicContact CD2-CB 3.76Å; L179-W195 HydrophobicContact CD2-CG 3.97Å; L179-W195 HydrophobicContact CG-CB 4.01Å; L179-W195 HydrophobicContact CG-CD2 4.5Å; L179-W195 HydrophobicContact CG-CG 3.78Å; R191-W195 WeakPolarHBondContact O-CB 3.44Å; R191-W195 PolarHBondContact O-N 2.74Å; L192-W195 HydrophobicContact CD1-CE3 4.23Å; L192-W195 PolarHBondContact O-N 2.81Å; W195-C197 VanDerWaalsContact C-N 3.26Å; W195-C197 PolarHBondContact O-N 3.29Å; W195-S198 PolarHBondContact O-N 3.45Å; W195-V199 HydrophobicContact CD2-CG2 3.98Å; W195-V199 HydrophobicContact CE3-CG2 4.34Å; W195-V199 HydrophobicContact CH2-CB 4.5Å; W195-V199 HydrophobicContact CH2-CG1 4.38Å; W195-V199 HydrophobicContact CH2-CG2 3.92Å; W195-V199 HydrophobicContact CZ2-CG2 3.58Å; W195-V199 HydrophobicContact CZ3-CG2 4.29Å; W195-V199 WeakPolarHBondContact O-CB 3.23Å; W195-V199 WeakPolarHBondContact O-CG2 3.42Å; W195-V199 PolarHBondContact O-N 2.87Å; W195-L366 HydrophobicContact CE3-CD1 4.4Å; W195-L366 HydrophobicContact CH2-CD1 4.41Å; W195-L366 HydrophobicContact CZ3-CD1 3.6Å; W195-T548 HydrophobicContact CH2-CG2 3.44Å; W195-T548 VanDerWaalsContact CH2-CG2 3.44Å; W195-T548 HydrophobicContact CZ2-CG2 4.09Å; W195-T548 HydrophobicContact CZ3-CG2 4.29Å; W195-F552 HydrophobicContact CD2-CZ 4.36Å; W195-F552 AromaticContact CE2-CZ 3.56Å; W195-F552 HydrophobicContact CH2-CE1 4.33Å; W195-F552 AromaticContact CH2-CZ 3.85Å; W195-F552 HydrophobicContact CH2-CZ 3.85Å; W195-F552 AromaticContact CZ2-CE1 3.53Å; W195-F552 HydrophobicContact CZ2-CE1 3.53Å; W195-F552 HydrophobicContact CZ2-CE2 4.36Å; W195-F552 AromaticContact CZ2-CZ 3.25Å; W195-F552 HydrophobicContact CZ2-CZ 3.25Å; W195-F552 AromaticContact NE1-CZ 3.93Å
196	I	94	Very high	89.2	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-42.9	176.3	-71.1	168	0	0	0	110.1	L192 D193 M194 V199 Y200 R359 M362 N363 L366	L192-I196 HydrophobicContact CD1-CD1 4.35Å; L192-I196 HydrophobicContact CD1-CG1 4.44Å; L192-I196 HydrophobicContact CG-CD1 3.98Å; L192-I196 HydrophobicContact CG-CG1 4.49Å; L192-I196 VanDerWaalsContact O-CG1 3.25Å; L192-I196 WeakPolarHBondContact O-CG1 3.49Å; L192-I196 PolarHBondContact O-N 3.28Å; D193-I196 PolarHBondContact O-N 2.86Å; M194-I196 PolarHBondContact O-N 3.34Å; I196-V199 PolarHBondContact O-N 2.89Å; I196-Y200 HydrophobicContact CG2-CD1 4Å; I196-Y200 HydrophobicContact CG2-CE1 4.39Å; I196-Y200 WeakPolarHBondContact O-CD1 3.23Å; I196-Y200 PolarHBondContact O-N 3.4Å; I196-R359 HydrophobicContact CG2-CB 4.37Å; I196-R359 HydrophobicContact CG2-CG 4.04Å; I196-M362 HydrophobicContact CD1-CB 4.13Å; I196-M362 HydrophobicContact CG1-CB 4.39Å; I196-M362 HydrophobicContact CG2-CB 4.06Å; I196-N363 VanDerWaalsContact CD1-CA 3.48Å; I196-N363 HydrophobicContact CD1-CB 3.83Å; I196-L366 HydrophobicContact CD1-CD1 4.25Å; I196-L366 HydrophobicContact CG1-CD1 4.14Å
197	C	92.9	Very high	89.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-43.8	179.2	-65.4	0	0	0	0	113	D193 M194 W195 V199 Y200 S201 I229 R233	D193-C197 PolarHBondContact O-N 3.31Å; D193-C197 VanDerWaalsContact O-N 3.09Å; D193-C197 PolarHBondContact O-SG 3.08Å; M194-C197 PolarHBondContact O-N 2.78Å; W195-C197 VanDerWaalsContact C-N 3.26Å; W195-C197 PolarHBondContact O-N 3.29Å; C197-V199 VanDerWaalsContact C-N 3.34Å; C197-Y200 HydrophobicContact CB-CE1 3.98Å; C197-S201 VanDerWaalsContact O-CB 3.29Å; C197-S201 WeakPolarHBondContact O-CB 3.21Å; C197-S201 PolarHBondContact O-N 3.08Å; C197-S201 VanDerWaalsContact O-N 3.12Å; C197-S201 PolarHBondContact O-OG 2.92Å; C197-I229 HydrophobicContact CB-CG2 4.31Å; C197-R233 HydrophobicContact CB-CB 4.22Å; C197-R233 HydrophobicContact CB-CG 4.43Å
198	S	90.6	Very high	87.7	Confident	9 Å²	9	16.1 Å²	16.1	6%	0.063	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-44.9	174.1	-56.7	0	0	0	0	111.4	I178 M194 W195 S201 E202	I178-S198 WeakPolarHBondContact CD1-OG 3.44Å; M194-S198 PolarHBondContact O-N 3.13Å; M194-S198 PolarHBondContact O-OG 2.93Å; W195-S198 PolarHBondContact O-N 3.45Å; S198-S201 PolarHBondContact O-N 2.86Å; S198-E202 PolarHBondContact O-N 2.98Å
199	V	90.9	Very high	86	Confident	3 Å²	3	17 Å²	17	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-64.2	-50.2	-177.6	157.8	0	0	0	0	112.9	I165 L175 W195 I196 C197 S201 E202 V203 M544	I165-V199 HydrophobicContact CG2-CB 4.48Å; I165-V199 HydrophobicContact CG2-CG1 3.51Å; L175-V199 HydrophobicContact CD1-CG2 4Å; W195-V199 HydrophobicContact CD2-CG2 3.98Å; W195-V199 HydrophobicContact CE3-CG2 4.34Å; W195-V199 HydrophobicContact CH2-CB 4.5Å; W195-V199 HydrophobicContact CH2-CG1 4.38Å; W195-V199 HydrophobicContact CH2-CG2 3.92Å; W195-V199 HydrophobicContact CZ2-CG2 3.58Å; W195-V199 HydrophobicContact CZ3-CG2 4.29Å; W195-V199 WeakPolarHBondContact O-CB 3.23Å; W195-V199 WeakPolarHBondContact O-CG2 3.42Å; W195-V199 PolarHBondContact O-N 2.87Å; I196-V199 PolarHBondContact O-N 2.89Å; C197-V199 VanDerWaalsContact C-N 3.34Å; V199-S201 PolarHBondContact O-N 2.84Å; V199-E202 WeakPolarHBondContact O-CB 3.44Å; V199-E202 PolarHBondContact O-N 2.75Å; V199-V203 PolarHBondContact O-N 2.74Å; V199-M544 HydrophobicContact CG1-CE 3.47Å; V199-M544 VanDerWaalsContact CG1-CE 3.47Å
200	Y	91.5	Very high	84.4	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-70	-25.1	178.2	74.8	-118.7	0	0	0	111.8	I196 C197 E202 V203 F204 L232 C355 R359	I196-Y200 HydrophobicContact CG2-CD1 4Å; I196-Y200 HydrophobicContact CG2-CE1 4.39Å; I196-Y200 WeakPolarHBondContact O-CD1 3.23Å; I196-Y200 PolarHBondContact O-N 3.4Å; C197-Y200 HydrophobicContact CB-CE1 3.98Å; Y200-E202 PolarHBondContact O-N 2.84Å; Y200-V203 WeakPolarHBondContact O-CB 3.42Å; Y200-V203 PolarHBondContact O-N 3.05Å; Y200-V203 VanDerWaalsContact O-N 3.1Å; Y200-F204 AromaticContact CD2-CD2 3.67Å; Y200-F204 HydrophobicContact CD2-CD2 3.67Å; Y200-F204 HydrophobicContact CD2-CE2 4.04Å; Y200-F204 HydrophobicContact CG-CD2 4.22Å; Y200-F204 HydrophobicContact CG-CE2 4.19Å; Y200-F204 WeakPolarHBondContact O-CB 3.4Å; Y200-F204 WeakPolarHBondContact O-CG 3.48Å; Y200-F204 PolarHBondContact O-N 3.12Å; Y200-L232 HydrophobicContact CE2-CD2 3.78Å; Y200-C355 HydrophobicContact CD2-CB 4.4Å; Y200-C355 HydrophobicContact CE2-CB 3.85Å; Y200-C355 VanDerWaalsContact CE2-SG 3.56Å; Y200-R359 HydrophobicContact CE1-CB 3.96Å; Y200-R359 HydrophobicContact CE1-CG 4.27Å
201	S	91.1	Very high	82.8	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-33	177.1	-62.6	0	0	0	0	111.3	C197 S198 V199 F205 F206	C197-S201 VanDerWaalsContact O-CB 3.29Å; C197-S201 WeakPolarHBondContact O-CB 3.21Å; C197-S201 PolarHBondContact O-N 3.08Å; C197-S201 VanDerWaalsContact O-N 3.12Å; C197-S201 PolarHBondContact O-OG 2.92Å; S198-S201 PolarHBondContact O-N 2.86Å; V199-S201 PolarHBondContact O-N 2.84Å; S201-F205 WeakPolarHBondContact O-CB 3.4Å; S201-F205 PolarHBondContact O-N 2.78Å; S201-F206 WeakPolarHBondContact O-CD2 3.15Å; S201-F206 PolarHBondContact O-N 2.83Å; S201-F206 VanDerWaalsContact O-N 3.17Å
202	E	87.5	Confident	81	Confident	4 Å²	4	15.7 Å²	15.7	2%	0.019	8%	0.083	C	C	.	.	I	π-helix	trans	-62.8	-44.8	168.8	-60.9	-50.1	115	0	0	112.1	I165 L168 L175 S198 V199 Y200 F206 G207 R225	I165-E202 HydrophobicContact CG1-CB 4.21Å; L168-E202 HydrophobicContact CD1-CG 4.17Å; L175-E202 HydrophobicContact CD1-CG 4.22Å; S198-E202 PolarHBondContact O-N 2.98Å; V199-E202 WeakPolarHBondContact O-CB 3.44Å; V199-E202 PolarHBondContact O-N 2.75Å; Y200-E202 PolarHBondContact O-N 2.84Å; E202-F206 VanDerWaalsContact OE1-CD2 3.28Å; E202-F206 WeakPolarHBondContact OE1-CD2 3.33Å; E202-G207 VanDerWaalsContact O-CA 3.27Å; E202-G207 WeakPolarHBondContact O-CA 3.19Å; E202-G207 PolarHBondContact O-N 3.16Å; E202-R225 IonicContact OE1-CZ 3.83Å; E202-R225 IonicContact OE1-NE 3.05Å; E202-R225 PolarHBondContact OE1-NE 3.25Å; E202-R225 IonicContact OE1-NH2 3.27Å; E202-R225 PolarHBondContact OE1-NH2 2.98Å; E202-R225 IonicContact OE2-CZ 2.58Å; E202-R225 IonicContact OE2-NH1 2.99Å; E202-R225 IonicContact OE2-NH2 2.98Å; E202-R225 PolarHBondContact OE2-NH2 2.76Å
203	V	89.2	Confident	78.8	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-62.5	-47.5	179	-172.4	0	0	0	0	110.7	I161 I165 V199 Y200 N320 L321 F540 M544	I161-V203 HydrophobicContact CD1-CB 4.46Å; I161-V203 HydrophobicContact CD1-CG1 4.02Å; I165-V203 HydrophobicContact CD1-CB 3.99Å; I165-V203 HydrophobicContact CD1-CG1 4.42Å; I165-V203 HydrophobicContact CD1-CG2 3.15Å; I165-V203 HydrophobicContact CG1-CG2 4.15Å; V199-V203 PolarHBondContact O-N 2.74Å; Y200-V203 WeakPolarHBondContact O-CB 3.42Å; Y200-V203 PolarHBondContact O-N 3.05Å; Y200-V203 VanDerWaalsContact O-N 3.1Å; V203-N320 CarbonylContact O-C 3.58Å; V203-N320 VanDerWaalsContact O-CA 3.26Å; V203-N320 WeakPolarHBondContact O-CA 3.08Å; V203-N320 WeakPolarHBondContact O-CB 3.45Å; V203-L321 PolarHBondContact O-N 3.23Å; V203-F540 HydrophobicContact CG1-CE2 3.64Å; V203-F540 HydrophobicContact CG1-CZ 3.78Å; V203-F540 HydrophobicContact CG2-CZ 4.37Å; V203-M544 HydrophobicContact CG2-CE 3.76Å; V203-M544 HydrophobicContact CG2-SD 3.77Å
204	F	92	Very high	76.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-90.6	-32.4	-163.5	-65	-20.2	0	0	0	113.4	F154 Y200 L321 L322 C354 C355 T358 F540	F154-F204 HydrophobicContact CE1-CE1 4.24Å; F154-F204 HydrophobicContact CZ-CE1 4.3Å; Y200-F204 AromaticContact CD2-CD2 3.67Å; Y200-F204 HydrophobicContact CD2-CD2 3.67Å; Y200-F204 HydrophobicContact CD2-CE2 4.04Å; Y200-F204 HydrophobicContact CG-CD2 4.22Å; Y200-F204 HydrophobicContact CG-CE2 4.19Å; Y200-F204 WeakPolarHBondContact O-CB 3.4Å; Y200-F204 WeakPolarHBondContact O-CG 3.48Å; Y200-F204 PolarHBondContact O-N 3.12Å; F204-L321 HydrophobicContact CB-CB 4.49Å; F204-L321 HydrophobicContact CD1-CB 3.79Å; F204-L321 HydrophobicContact CD1-CD2 3.54Å; F204-L321 HydrophobicContact CD1-CG 4.33Å; F204-L321 HydrophobicContact CE1-CD2 3.74Å; F204-L321 HydrophobicContact CG-CD2 4.24Å; F204-L322 VanDerWaalsContact O-CB 3.31Å; F204-L322 WeakPolarHBondContact O-CB 3.39Å; F204-L322 PolarHBondContact O-N 3.4Å; F204-C354 HydrophobicContact CE2-CB 4.25Å; F204-C354 HydrophobicContact CZ-CB 4.36Å; F204-C355 VanDerWaalsContact CD2-SG 3.56Å; F204-T358 HydrophobicContact CE2-CG2 4.45Å; F204-T358 HydrophobicContact CZ-CG2 4.25Å; F204-T358 WeakPolarHBondContact CZ-OG1 3.43Å; F204-F540 HydrophobicContact CE1-CE1 4.08Å; F204-F540 HydrophobicContact CE1-CE2 4.22Å; F204-F540 AromaticContact CE1-CZ 3.59Å; F204-F540 HydrophobicContact CE1-CZ 3.59Å; F204-F540 AromaticContact CZ-CE1 3.97Å; F204-F540 HydrophobicContact CZ-CE1 3.97Å; F204-F540 AromaticContact CZ-CZ 3.91Å; F204-F540 HydrophobicContact CZ-CZ 3.91Å
205	F	89	Confident	74.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-121.1	-48.3	-170.9	-59.1	-75.3	0	0	0	113.6	S201 I211 F228 L232 I282 L285 Y289 N320 L322 L351	S201-F205 WeakPolarHBondContact O-CB 3.4Å; S201-F205 PolarHBondContact O-N 2.78Å; F205-I211 WeakPolarHBondContact O-CD1 3.44Å; F205-F228 HydrophobicContact CD1-CZ 4.22Å; F205-F228 AromaticContact CD2-CE1 3.99Å; F205-F228 HydrophobicContact CD2-CE1 3.99Å; F205-F228 HydrophobicContact CD2-CZ 4.1Å; F205-F228 HydrophobicContact CE1-CZ 4.48Å; F205-F228 HydrophobicContact CE2-CE1 4.46Å; F205-F228 HydrophobicContact CE2-CZ 4.41Å; F205-F228 HydrophobicContact CG-CE1 4.19Å; F205-F228 HydrophobicContact CG-CZ 4.02Å; F205-L232 HydrophobicContact CD2-CD2 4.11Å; F205-L232 HydrophobicContact CE2-CD2 3.52Å; F205-L232 HydrophobicContact CZ-CD2 4.26Å; F205-I282 HydrophobicContact CE1-CD1 4.09Å; F205-I282 HydrophobicContact CE1-CG1 4.12Å; F205-I282 HydrophobicContact CE1-CG2 4.06Å; F205-I282 HydrophobicContact CZ-CD1 4.09Å; F205-I282 HydrophobicContact CZ-CG1 4.43Å; F205-L285 HydrophobicContact CB-CD1 4.05Å; F205-L285 HydrophobicContact CD1-CD1 3.85Å; F205-L285 HydrophobicContact CG-CD1 4.18Å; F205-Y289 VanDerWaalsContact O-CE2 3.3Å; F205-Y289 WeakPolarHBondContact O-CE2 3.31Å; F205-Y289 PolarHBondContact O-OH 3.4Å; F205-N320 VanDerWaalsContact O-CG 3.24Å; F205-N320 PolarHBondContact O-ND2 3.35Å; F205-L322 HydrophobicContact CD1-CD2 4.39Å; F205-L351 HydrophobicContact CE1-CB 4.38Å; F205-L351 HydrophobicContact CE1-CD1 3.96Å; F205-L351 HydrophobicContact CZ-CB 4.29Å
206	F	82.3	Confident	71.5	Confident	4 Å²	4	28 Å²	28	2%	0.018	16%	0.159	C	C	.	.	I	π-helix	trans	-93	-37.4	-166.7	-55.8	-53.2	0	0	0	113.7	S201 E202 S209 I211 F212 R225 F228 I229 L285 Y289	S201-F206 WeakPolarHBondContact O-CD2 3.15Å; S201-F206 PolarHBondContact O-N 2.83Å; S201-F206 VanDerWaalsContact O-N 3.17Å; E202-F206 VanDerWaalsContact OE1-CD2 3.28Å; E202-F206 WeakPolarHBondContact OE1-CD2 3.33Å; F206-S209 PolarHBondContact O-N 3.26Å; F206-S209 PolarHBondContact O-OG 3.38Å; F206-I211 HydrophobicContact CD1-CD1 3.65Å; F206-I211 HydrophobicContact CD1-CG1 4.31Å; F206-I211 HydrophobicContact CE1-CD1 4.2Å; F206-F212 HydrophobicContact CD1-CD2 4.39Å; F206-F212 AromaticContact CD1-CE2 3.66Å; F206-F212 HydrophobicContact CD1-CE2 3.66Å; F206-F212 HydrophobicContact CD1-CZ 4.38Å; F206-F212 HydrophobicContact CE1-CD2 4.19Å; F206-F212 AromaticContact CE1-CE2 3.1Å; F206-F212 HydrophobicContact CE1-CE2 3.1Å; F206-F212 AromaticContact CE1-CZ 3.45Å; F206-F212 HydrophobicContact CE1-CZ 3.45Å; F206-F212 VanDerWaalsContact CE1-CZ 3.45Å; F206-F212 HydrophobicContact CE2-CE2 4.41Å; F206-F212 AromaticContact CZ-CE2 3.51Å; F206-F212 HydrophobicContact CZ-CE2 3.51Å; F206-F212 AromaticContact CZ-CZ 3.78Å; F206-F212 HydrophobicContact CZ-CZ 3.78Å; F206-R225 HydrophobicContact CD2-CG 4.4Å; F206-R225 HydrophobicContact CE2-CG 3.95Å; F206-R225 HydrophobicContact CZ-CG 4.2Å; F206-F228 HydrophobicContact CE1-CD1 4.43Å; F206-F228 AromaticContact CE2-CD1 3.94Å; F206-F228 HydrophobicContact CE2-CD1 3.94Å; F206-F228 HydrophobicContact CE2-CE1 4.16Å; F206-F228 HydrophobicContact CZ-CB 4.44Å; F206-F228 AromaticContact CZ-CD1 3.37Å; F206-F228 HydrophobicContact CZ-CD1 3.37Å; F206-F228 AromaticContact CZ-CE1 3.68Å; F206-F228 HydrophobicContact CZ-CE1 3.68Å; F206-F228 AromaticContact CZ-CG 3.93Å; F206-F228 HydrophobicContact CZ-CG 3.93Å; F206-F228 HydrophobicContact CZ-CZ 4.46Å; F206-I229 HydrophobicContact CE2-CD1 4.48Å; F206-I229 HydrophobicContact CE2-CG1 4.25Å; F206-L285 HydrophobicContact CE1-CD1 4.41Å; F206-L285 HydrophobicContact CE1-CD2 4.45Å; F206-Y289 PolarHBondContact O-OH 3.46Å
207	G	73.3	Confident	68.9	Low	4 Å²	4	32.7 Å²	32.7	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-146	-174	0	0	0	0	0	110.9	E202 S209	E202-G207 VanDerWaalsContact O-CA 3.27Å; E202-G207 WeakPolarHBondContact O-CA 3.19Å; E202-G207 PolarHBondContact O-N 3.16Å; G207-S209 PolarHBondContact O-N 3.48Å
208	P	55.8	Low	66.4	Low	30 Å²	30	40.2 Å²	40.2	20%	0.195	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.8	176.3	38.3	-42.5	0	0	0	114.3	R164 P318	R164-P208 PolarHBondContact NH1-O 2.93Å; R164-P208 VanDerWaalsContact NH1-O 3.17Å; R164-P208 PolarHBondContact NH2-O 2.74Å; P208-P318 HydrophobicContact CB-CB 4.13Å; P208-P318 HydrophobicContact CB-CG 3.84Å; P208-P318 WeakPolarHBondContact CD-O 3.41Å; P208-P318 HydrophobicContact CG-CB 3.52Å; P208-P318 HydrophobicContact CG-CG 3.54Å; P208-P318 WeakPolarHBondContact CG-O 3.39Å
209	S	53.3	Low	64.1	Low	34 Å²	34	45.6 Å²	45.6	24%	0.238	26%	0.261	C	S	.	.	S	Bend	trans	-95.8	147.9	-160.1	57.5	0	0	0	0	114.3	F206 G207 I211 Y289	F206-S209 PolarHBondContact O-N 3.26Å; F206-S209 PolarHBondContact O-OG 3.38Å; G207-S209 PolarHBondContact O-N 3.48Å; S209-I211 VanDerWaalsContact C-N 3.3Å; S209-I211 PolarHBondContact O-N 3.13Å; S209-Y289 PolarHBondContact OG-OH 3.31Å
210	E	53.8	Low	61.7	Low	111 Å²	111	49.6 Å²	49.6	52%	0.519	29%	0.286	S	S	.	.			trans	-76.7	48.6	-173.8	-66.2	-171.7	177.8	0	0	114.7	F212 C213 E214	E210-F212 PolarHBondContact O-N 3.3Å; E210-C213 HydrophobicContact CB-CB 3.6Å; E210-C213 VanDerWaalsContact CB-SG 3.54Å; E210-C213 HydrophobicContact CG-CB 3.92Å; E210-C213 WeakPolarHBondContact CG-SG 3.49Å; E210-C213 PolarHBondContact O-N 3.23Å; E210-E214 PolarHBondContact O-N 2.86Å
211	I	54.1	Low	59.4	Low	15 Å²	15	51.7 Å²	51.7	8%	0.077	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.4	-177.5	-54.2	-174.8	0	0	0	111.5	F205 F206 S209 L285 Y288 Y289	F205-I211 WeakPolarHBondContact O-CD1 3.44Å; F206-I211 HydrophobicContact CD1-CD1 3.65Å; F206-I211 HydrophobicContact CD1-CG1 4.31Å; F206-I211 HydrophobicContact CE1-CD1 4.2Å; S209-I211 VanDerWaalsContact C-N 3.3Å; S209-I211 PolarHBondContact O-N 3.13Å; I211-L285 HydrophobicContact CD1-CD2 3.84Å; I211-L285 HydrophobicContact CG2-CD2 3.76Å; I211-Y288 HydrophobicContact CB-CE1 4.25Å; I211-Y288 HydrophobicContact CG1-CD1 4.2Å; I211-Y288 HydrophobicContact CG1-CE1 3.88Å; I211-Y288 HydrophobicContact CG2-CD1 3.93Å; I211-Y288 HydrophobicContact CG2-CE1 4.1Å; I211-Y288 HydrophobicContact CG2-CG 4.2Å; I211-Y289 HydrophobicContact CD1-CD2 4.49Å; I211-Y289 HydrophobicContact CD1-CE2 3.37Å; I211-Y289 VanDerWaalsContact CD1-CZ 3.46Å; I211-Y289 WeakPolarHBondContact CD1-OH 3.15Å; I211-Y289 HydrophobicContact CG1-CE2 4.18Å; I211-Y289 WeakPolarHBondContact CG1-OH 3.31Å
212	F	52.7	Low	57.4	Low	42 Å²	42	55.4 Å²	55.4	18%	0.184	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-12.2	178.9	-51.1	-80.4	0	0	0	113.7	F206 E210 F221 R225 F228	F206-F212 HydrophobicContact CD1-CD2 4.39Å; F206-F212 AromaticContact CD1-CE2 3.66Å; F206-F212 HydrophobicContact CD1-CE2 3.66Å; F206-F212 HydrophobicContact CD1-CZ 4.38Å; F206-F212 HydrophobicContact CE1-CD2 4.19Å; F206-F212 AromaticContact CE1-CE2 3.1Å; F206-F212 HydrophobicContact CE1-CE2 3.1Å; F206-F212 AromaticContact CE1-CZ 3.45Å; F206-F212 HydrophobicContact CE1-CZ 3.45Å; F206-F212 VanDerWaalsContact CE1-CZ 3.45Å; F206-F212 HydrophobicContact CE2-CE2 4.41Å; F206-F212 AromaticContact CZ-CE2 3.51Å; F206-F212 HydrophobicContact CZ-CE2 3.51Å; F206-F212 AromaticContact CZ-CZ 3.78Å; F206-F212 HydrophobicContact CZ-CZ 3.78Å; E210-F212 PolarHBondContact O-N 3.3Å; F212-F221 HydrophobicContact CB-CD2 3.31Å; F212-F221 HydrophobicContact CB-CE2 3.32Å; F212-F221 HydrophobicContact CB-CG 4.09Å; F212-F221 HydrophobicContact CB-CZ 4.19Å; F212-F221 HydrophobicContact CD2-CE2 4.45Å; F212-F221 HydrophobicContact CG-CE2 4.4Å; F212-F221 VanDerWaalsContact O-CD2 3.29Å; F212-F221 WeakPolarHBondContact O-CD2 3.44Å; F212-R225 HydrophobicContact CD2-CB 3.69Å; F212-R225 HydrophobicContact CD2-CG 4.22Å; F212-R225 HydrophobicContact CE2-CB 3.48Å; F212-R225 VanDerWaalsContact CE2-CB 3.48Å; F212-R225 HydrophobicContact CE2-CG 3.78Å; F212-R225 HydrophobicContact CG-CB 4.5Å; F212-R225 HydrophobicContact CZ-CB 4.2Å; F212-F228 HydrophobicContact CZ-CB 4.33Å
213	C	46.4	Very low	55.9	Low	53 Å²	53	61.9 Å²	61.9	36%	0.358	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-83	-26.4	-176.4	-42.2	0	0	0	0	111.1	E210 T215 F221	E210-C213 HydrophobicContact CB-CB 3.6Å; E210-C213 VanDerWaalsContact CB-SG 3.54Å; E210-C213 HydrophobicContact CG-CB 3.92Å; E210-C213 WeakPolarHBondContact CG-SG 3.49Å; E210-C213 PolarHBondContact O-N 3.23Å; C213-T215 PolarHBondContact O-N 3.43Å; C213-F221 HydrophobicContact CB-CD2 4.07Å; C213-F221 HydrophobicContact CB-CE2 3.99Å; C213-F221 VanDerWaalsContact N-CD2 3.27Å; C213-F221 VanDerWaalsContact SG-CD2 3.56Å; C213-F221 WeakPolarHBondContact SG-CE2 3.46Å
214	E	42.6	Very low	55.2	Low	108 Å²	108	63.3 Å²	63.3	51%	0.505	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-69	-6.1	-175.2	-73.7	177.6	-175.8	0	0	113.5	E210 Y288 K292	E210-E214 PolarHBondContact O-N 2.86Å; E214-Y288 PolarHBondContact OE1-OH 3.45Å; E214-Y288 VanDerWaalsContact OE2-CE2 3.32Å; E214-Y288 WeakPolarHBondContact OE2-CE2 3.12Å; E214-Y288 PolarHBondContact OE2-OH 3.2Å; E214-K292 IonicContact OE1-NZ 2.69Å; E214-K292 PolarHBondContact OE1-NZ 2.99Å
215	T	43.3	Very low	54.5	Low	130 Å²	130	65.7 Å²	65.7	80%	0.798	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-137	5.3	-177.2	54.8	0	0	0	0	117.3	C213	C213-T215 PolarHBondContact O-N 3.43Å
216	A	36.3	Very low	54	Low	35 Å²	35	71.1 Å²	71.1	29%	0.289	40%	0.397	S	S	.	.			trans	-142.6	133.1	-172.5	0	0	0	0	0	114.8	D218	A216-D218 PolarHBondContact O-N 2.74Å
217	S	39.2	Very low	54.1	Low	103 Å²	103	77 Å²	77	72%	0.72	42%	0.422	S	S	*	.			trans	-68.8	123	170.3	47.2	0	0	0	0	111.8	N219 T220	S217-N219 VanDerWaalsContact C-N 3.27Å; S217-N219 PolarHBondContact O-N 3.09Å; S217-T220 PolarHBondContact O-N 2.66Å
218	D	39.5	Very low	54.8	Low	158 Å²	158	77.4 Å²	77.4	85%	0.845	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	24.4	6.9	158.2	-71.8	-10.6	0	0	0	124.3	A216	A216-D218 PolarHBondContact O-N 2.74Å
219	N	41.6	Very low	56.4	Low	121 Å²	121	76.7 Å²	76.7	65%	0.647	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.4	-25.3	165	-86.4	-43.9	0	0	0	113.3	S217 F221 F223	S217-N219 VanDerWaalsContact C-N 3.27Å; S217-N219 PolarHBondContact O-N 3.09Å; N219-F221 PolarHBondContact O-N 3.27Å; N219-F223 WeakPolarHBondContact O-CD2 3.46Å
220	T	41.4	Very low	58	Low	88 Å²	88	78.4 Å²	78.4	54%	0.54	42%	0.424	S	S	.	.	H	α-helix	trans	-68.5	-24.2	179.6	-24.3	0	0	0	0	112.5	S217 F223 G224	S217-T220 PolarHBondContact O-N 2.66Å; T220-F223 PolarHBondContact O-N 3.03Å; T220-G224 PolarHBondContact O-N 2.95Å; T220-G224 VanDerWaalsContact O-N 3.07Å
221	F	42.6	Very low	59.6	Low	45 Å²	45	74.2 Å²	74.2	20%	0.197	41%	0.405	C	S	.	.	H	α-helix	trans	-55	-54.3	177	177.3	-87.8	0	0	0	112.8	F212 C213 N219 F223 G224 R225	F212-F221 HydrophobicContact CB-CD2 3.31Å; F212-F221 HydrophobicContact CB-CE2 3.32Å; F212-F221 HydrophobicContact CB-CG 4.09Å; F212-F221 HydrophobicContact CB-CZ 4.19Å; F212-F221 HydrophobicContact CD2-CE2 4.45Å; F212-F221 HydrophobicContact CG-CE2 4.4Å; F212-F221 VanDerWaalsContact O-CD2 3.29Å; F212-F221 WeakPolarHBondContact O-CD2 3.44Å; C213-F221 HydrophobicContact CB-CD2 4.07Å; C213-F221 HydrophobicContact CB-CE2 3.99Å; C213-F221 VanDerWaalsContact N-CD2 3.27Å; C213-F221 VanDerWaalsContact SG-CD2 3.56Å; C213-F221 WeakPolarHBondContact SG-CE2 3.46Å; N219-F221 PolarHBondContact O-N 3.27Å; F221-F223 VanDerWaalsContact C-N 3.33Å; F221-F223 PolarHBondContact O-N 2.93Å; F221-G224 PolarHBondContact O-N 3.15Å; F221-R225 PolarHBondContact O-N 3.42Å
222	C	50.5	Low	61.4	Low	79 Å²	79	73.5 Å²	73.5	53%	0.534	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-41.3	-176.4	-65.8	0	0	0	0	110.8	G224 R225 E226	C222-G224 PolarHBondContact O-N 2.81Å; C222-R225 PolarHBondContact O-N 2.92Å; C222-E226 VanDerWaalsContact O-CB 3.28Å; C222-E226 WeakPolarHBondContact O-CB 3.23Å; C222-E226 PolarHBondContact O-N 3.42Å
223	F	55.2	Low	63.3	Low	140 Å²	140	72.9 Å²	72.9	61%	0.614	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-38.4	178.2	-72.8	-67.7	0	0	0	113	N219 T220 F221 K227	N219-F223 WeakPolarHBondContact O-CD2 3.46Å; T220-F223 PolarHBondContact O-N 3.03Å; F221-F223 VanDerWaalsContact C-N 3.33Å; F221-F223 PolarHBondContact O-N 2.93Å; F223-K227 WeakPolarHBondContact O-CB 3.11Å; F223-K227 PolarHBondContact O-N 2.91Å
224	G	74.2	Confident	65.3	Low	29 Å²	29	72.4 Å²	72.4	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-46.6	178.3	0	0	0	0	0	112.8	T220 F221 C222 F228	T220-G224 PolarHBondContact O-N 2.95Å; T220-G224 VanDerWaalsContact O-N 3.07Å; F221-G224 PolarHBondContact O-N 3.15Å; C222-G224 PolarHBondContact O-N 2.81Å; G224-F228 WeakPolarHBondContact O-CB 3.31Å; G224-F228 PolarHBondContact O-N 2.94Å
225	R	78.3	Confident	67.6	Low	51 Å²	51	67.3 Å²	67.3	19%	0.192	37%	0.367	C	S	.	.	H	α-helix	trans	-68.5	-46.5	179.6	-177.5	164	162.3	-154.5	-11.7	112.8	E202 F206 F212 F221 C222 K227 F228 I229	E202-R225 IonicContact OE1-CZ 3.83Å; E202-R225 IonicContact OE1-NE 3.05Å; E202-R225 PolarHBondContact OE1-NE 3.25Å; E202-R225 IonicContact OE1-NH2 3.27Å; E202-R225 PolarHBondContact OE1-NH2 2.98Å; E202-R225 IonicContact OE2-CZ 2.58Å; E202-R225 IonicContact OE2-NH1 2.99Å; E202-R225 IonicContact OE2-NH2 2.98Å; E202-R225 PolarHBondContact OE2-NH2 2.76Å; F206-R225 HydrophobicContact CD2-CG 4.4Å; F206-R225 HydrophobicContact CE2-CG 3.95Å; F206-R225 HydrophobicContact CZ-CG 4.2Å; F212-R225 HydrophobicContact CD2-CB 3.69Å; F212-R225 HydrophobicContact CD2-CG 4.22Å; F212-R225 HydrophobicContact CE2-CB 3.48Å; F212-R225 VanDerWaalsContact CE2-CB 3.48Å; F212-R225 HydrophobicContact CE2-CG 3.78Å; F212-R225 HydrophobicContact CG-CB 4.5Å; F212-R225 HydrophobicContact CZ-CB 4.2Å; F221-R225 PolarHBondContact O-N 3.42Å; C222-R225 PolarHBondContact O-N 2.92Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.13Å; R225-F228 WeakPolarHBondContact O-CB 3.3Å; R225-F228 PolarHBondContact O-N 3.19Å; R225-I229 HydrophobicContact CG-CD1 3.99Å; R225-I229 WeakPolarHBondContact O-CG1 3.13Å; R225-I229 PolarHBondContact O-N 3.08Å
226	E	78.6	Confident	69.9	Low	113 Å²	113	61.1 Å²	61.1	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-44	178.1	-174.1	178.7	-175.1	0	0	110.8	C222 F228 I229 L230	C222-E226 VanDerWaalsContact O-CB 3.28Å; C222-E226 WeakPolarHBondContact O-CB 3.23Å; C222-E226 PolarHBondContact O-N 3.42Å; E226-F228 PolarHBondContact O-N 3.12Å; E226-I229 PolarHBondContact O-N 3.31Å; E226-L230 HydrophobicContact CG-CD1 4.29Å; E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 3.42Å
227	K	84.3	Confident	72.5	Confident	127 Å²	127	61.1 Å²	61.1	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-59.1	-46.7	174.1	-177.3	179.5	178	-174.7	0	111.8	F223 R225 I229 L230 D231	F223-K227 WeakPolarHBondContact O-CB 3.11Å; F223-K227 PolarHBondContact O-N 2.91Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.13Å; K227-I229 VanDerWaalsContact C-N 3.32Å; K227-I229 PolarHBondContact O-N 3.36Å; K227-L230 PolarHBondContact O-N 3.3Å; K227-D231 WeakPolarHBondContact O-CB 3.09Å; K227-D231 VanDerWaalsContact O-CG 3.23Å; K227-D231 PolarHBondContact O-N 3.29Å
228	F	88.1	Confident	74.9	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.057	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-46.6	176.2	174.3	-83.5	0	0	0	111.7	F205 F206 F212 G224 R225 E226 L230 D231 L232 L281 L285	F205-F228 HydrophobicContact CD1-CZ 4.22Å; F205-F228 AromaticContact CD2-CE1 3.99Å; F205-F228 HydrophobicContact CD2-CE1 3.99Å; F205-F228 HydrophobicContact CD2-CZ 4.1Å; F205-F228 HydrophobicContact CE1-CZ 4.48Å; F205-F228 HydrophobicContact CE2-CE1 4.46Å; F205-F228 HydrophobicContact CE2-CZ 4.41Å; F205-F228 HydrophobicContact CG-CE1 4.19Å; F205-F228 HydrophobicContact CG-CZ 4.02Å; F206-F228 HydrophobicContact CE1-CD1 4.43Å; F206-F228 AromaticContact CE2-CD1 3.94Å; F206-F228 HydrophobicContact CE2-CD1 3.94Å; F206-F228 HydrophobicContact CE2-CE1 4.16Å; F206-F228 HydrophobicContact CZ-CB 4.44Å; F206-F228 AromaticContact CZ-CD1 3.37Å; F206-F228 HydrophobicContact CZ-CD1 3.37Å; F206-F228 AromaticContact CZ-CE1 3.68Å; F206-F228 HydrophobicContact CZ-CE1 3.68Å; F206-F228 AromaticContact CZ-CG 3.93Å; F206-F228 HydrophobicContact CZ-CG 3.93Å; F206-F228 HydrophobicContact CZ-CZ 4.46Å; F212-F228 HydrophobicContact CZ-CB 4.33Å; G224-F228 WeakPolarHBondContact O-CB 3.31Å; G224-F228 PolarHBondContact O-N 2.94Å; R225-F228 WeakPolarHBondContact O-CB 3.3Å; R225-F228 PolarHBondContact O-N 3.19Å; E226-F228 PolarHBondContact O-N 3.12Å; F228-L230 VanDerWaalsContact C-N 3.34Å; F228-L230 PolarHBondContact O-N 3.49Å; F228-D231 PolarHBondContact O-N 2.93Å; F228-L232 HydrophobicContact CE1-CB 4.28Å; F228-L232 HydrophobicContact CE1-CD2 3.76Å; F228-L232 HydrophobicContact CZ-CD2 4.23Å; F228-L232 VanDerWaalsContact O-CB 3.23Å; F228-L232 WeakPolarHBondContact O-CB 3.06Å; F228-L232 PolarHBondContact O-N 3.39Å; F228-L281 HydrophobicContact CD2-CD1 3.37Å; F228-L281 HydrophobicContact CD2-CG 3.81Å; F228-L281 HydrophobicContact CE2-CD1 3.7Å; F228-L281 HydrophobicContact CE2-CD2 4.3Å; F228-L281 HydrophobicContact CE2-CG 3.55Å; F228-L281 WeakPolarHBondContact CE2-O 3.25Å; F228-L281 HydrophobicContact CG-CD1 4.13Å; F228-L281 HydrophobicContact CZ-CG 4.3Å; F228-L285 HydrophobicContact CD2-CD1 4.18Å; F228-L285 HydrophobicContact CE1-CD1 4.39Å; F228-L285 HydrophobicContact CE2-CD1 3.34Å; F228-L285 HydrophobicContact CE2-CG 4.26Å; F228-L285 HydrophobicContact CZ-CD1 3.47Å; F228-L285 VanDerWaalsContact CZ-CD1 3.47Å
229	I	88	Confident	77.3	Confident	15 Å²	15	49.3 Å²	49.3	8%	0.077	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-41.9	-178.5	-68	164.4	0	0	0	110.7	C197 F206 R225 E226 K227 R233	C197-I229 HydrophobicContact CB-CG2 4.31Å; F206-I229 HydrophobicContact CE2-CD1 4.48Å; F206-I229 HydrophobicContact CE2-CG1 4.25Å; R225-I229 HydrophobicContact CG-CD1 3.99Å; R225-I229 WeakPolarHBondContact O-CG1 3.13Å; R225-I229 PolarHBondContact O-N 3.08Å; E226-I229 PolarHBondContact O-N 3.31Å; K227-I229 VanDerWaalsContact C-N 3.32Å; K227-I229 PolarHBondContact O-N 3.36Å; I229-R233 VanDerWaalsContact O-CB 3.25Å; I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.49Å
230	L	87.1	Confident	79.6	Confident	71 Å²	71	45.4 Å²	45.4	37%	0.372	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-46.9	176.5	-70.2	172.7	0	0	0	111.6	M194 E226 K227 F228 R233 E234	M194-L230 HydrophobicContact CE-CD2 4.33Å; E226-L230 HydrophobicContact CG-CD1 4.29Å; E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 3.42Å; K227-L230 PolarHBondContact O-N 3.3Å; F228-L230 VanDerWaalsContact C-N 3.34Å; F228-L230 PolarHBondContact O-N 3.49Å; L230-R233 PolarHBondContact O-N 3.17Å; L230-E234 WeakPolarHBondContact O-CG 3.45Å; L230-E234 PolarHBondContact O-N 3.36Å
231	D	88.7	Confident	81.8	Confident	23 Å²	23	41.4 Å²	41.4	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-41.6	179.4	-68.6	-11.9	0	0	0	111	K227 F228 E234 C235 I258 L281	K227-D231 WeakPolarHBondContact O-CB 3.09Å; K227-D231 VanDerWaalsContact O-CG 3.23Å; K227-D231 PolarHBondContact O-N 3.29Å; F228-D231 PolarHBondContact O-N 2.93Å; D231-E234 PolarHBondContact O-N 2.97Å; D231-C235 PolarHBondContact O-N 3.32Å; D231-C235 PolarHBondContact O-SG 3.3Å; D231-I258 HydrophobicContact CB-CD1 3.81Å; D231-I258 VanDerWaalsContact CG-CD1 3.4Å; D231-I258 WeakPolarHBondContact OD1-CD1 3.42Å; D231-L281 HydrophobicContact CB-CD1 3.98Å; D231-L281 HydrophobicContact CB-CD2 4.43Å
232	L	91.7	Very high	84	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-47.8	175	-177.7	60.8	0	0	0	110.9	Y200 F205 F228 E234 C235 I236 F278 L281	Y200-L232 HydrophobicContact CE2-CD2 3.78Å; F205-L232 HydrophobicContact CD2-CD2 4.11Å; F205-L232 HydrophobicContact CE2-CD2 3.52Å; F205-L232 HydrophobicContact CZ-CD2 4.26Å; F228-L232 HydrophobicContact CE1-CB 4.28Å; F228-L232 HydrophobicContact CE1-CD2 3.76Å; F228-L232 HydrophobicContact CZ-CD2 4.23Å; F228-L232 VanDerWaalsContact O-CB 3.23Å; F228-L232 WeakPolarHBondContact O-CB 3.06Å; F228-L232 PolarHBondContact O-N 3.39Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.11Å; L232-C235 WeakPolarHBondContact O-CB 3.08Å; L232-C235 PolarHBondContact O-N 2.93Å; L232-C235 VanDerWaalsContact O-N 3.16Å; L232-I236 HydrophobicContact CD1-CG1 4.16Å; L232-I236 HydrophobicContact CG-CG1 4.3Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.2Å; L232-I236 PolarHBondContact O-N 3.36Å; L232-F278 HydrophobicContact CD1-CE1 4.42Å; L232-L281 VanDerWaalsContact CA-CD2 3.48Å; L232-L281 HydrophobicContact CB-CD2 3.77Å; L232-L281 HydrophobicContact CD1-CD2 3.91Å; L232-L281 HydrophobicContact CG-CD2 4.45Å
233	R	91.2	Very high	85.8	Confident	29 Å²	29	35.6 Å²	35.6	11%	0.109	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-45.9	178.7	175.7	178.5	172.9	-72.3	-12.1	111.3	D193 C197 I229 L230 I236 I237	D193-R233 IonicContact OD2-CZ 3.87Å; D193-R233 IonicContact OD2-NE 3.61Å; D193-R233 PolarHBondContact OD2-NE 3.12Å; D193-R233 IonicContact OD2-NH2 3.2Å; D193-R233 PolarHBondContact OD2-NH2 3.46Å; C197-R233 HydrophobicContact CB-CB 4.22Å; C197-R233 HydrophobicContact CB-CG 4.43Å; I229-R233 VanDerWaalsContact O-CB 3.25Å; I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.49Å; L230-R233 PolarHBondContact O-N 3.17Å; R233-I236 PolarHBondContact O-N 3.36Å; R233-I237 HydrophobicContact CG-CD1 3.9Å; R233-I237 VanDerWaalsContact CZ-CD1 3.45Å; R233-I237 WeakPolarHBondContact O-CG1 2.99Å; R233-I237 PolarHBondContact O-N 2.78Å
234	E	88.4	Confident	87.3	Confident	42 Å²	42	29.4 Å²	29.4	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-40.4	177.4	-70.9	-60.2	132.6	0	0	112.1	L230 D231 L232 I236 I237 S238 F255	L230-E234 WeakPolarHBondContact O-CG 3.45Å; L230-E234 PolarHBondContact O-N 3.36Å; D231-E234 PolarHBondContact O-N 2.97Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.11Å; E234-I236 PolarHBondContact O-N 2.91Å; E234-I237 PolarHBondContact O-N 3.27Å; E234-S238 WeakPolarHBondContact O-CB 3.46Å; E234-S238 PolarHBondContact O-N 2.65Å; E234-S238 PolarHBondContact O-OG 3.29Å; E234-F255 HydrophobicContact CB-CE2 3.72Å; E234-F255 HydrophobicContact CB-CZ 3.99Å; E234-F255 HydrophobicContact CG-CE2 4.38Å; E234-F255 WeakPolarHBondContact O-CZ 3.03Å
235	C	91.3	Very high	87.7	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-44.6	172.9	-66.8	0	0	0	0	111.7	D231 L232 S238 L239 L274 F278	D231-C235 PolarHBondContact O-N 3.32Å; D231-C235 PolarHBondContact O-SG 3.3Å; L232-C235 WeakPolarHBondContact O-CB 3.08Å; L232-C235 PolarHBondContact O-N 2.93Å; L232-C235 VanDerWaalsContact O-N 3.16Å; C235-S238 PolarHBondContact O-N 2.93Å; C235-L239 WeakPolarHBondContact O-CB 3.5Å; C235-L239 PolarHBondContact O-N 2.69Å; C235-L274 HydrophobicContact CB-CD1 4.36Å; C235-F278 HydrophobicContact CB-CD1 4.43Å; C235-F278 HydrophobicContact CB-CE1 3.92Å; C235-F278 HydrophobicContact CB-CE2 4.01Å; C235-F278 HydrophobicContact CB-CZ 3.68Å
236	I	92.9	Very high	87.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.3	-40.4	-179.1	-66	-62.9	0	0	0	111.9	L232 R233 E234 S238 L239 E240 F278 G352 C355 L356	L232-I236 HydrophobicContact CD1-CG1 4.16Å; L232-I236 HydrophobicContact CG-CG1 4.3Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.2Å; L232-I236 PolarHBondContact O-N 3.36Å; R233-I236 PolarHBondContact O-N 3.36Å; E234-I236 PolarHBondContact O-N 2.91Å; I236-S238 VanDerWaalsContact C-N 3.28Å; I236-S238 PolarHBondContact O-N 3.2Å; I236-L239 PolarHBondContact O-N 2.69Å; I236-E240 WeakPolarHBondContact O-CB 3.41Å; I236-E240 PolarHBondContact O-N 3.02Å; I236-F278 HydrophobicContact CD1-CE1 3.89Å; I236-F278 HydrophobicContact CD1-CZ 3.9Å; I236-G352 WeakPolarHBondContact CD1-O 3.42Å; I236-C355 HydrophobicContact CD1-CB 3.4Å; I236-C355 VanDerWaalsContact CD1-CB 3.4Å; I236-C355 HydrophobicContact CG1-CB 3.9Å; I236-L356 HydrophobicContact CG2-CB 4.31Å; I236-L356 HydrophobicContact CG2-CD1 4.14Å
237	I	89.4	Confident	87.8	Confident	36 Å²	36	29.8 Å²	29.8	19%	0.185	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-39.4	174.1	-70.1	167.6	0	0	0	110.6	R233 E234 E240 S241	R233-I237 HydrophobicContact CG-CD1 3.9Å; R233-I237 VanDerWaalsContact CZ-CD1 3.45Å; R233-I237 WeakPolarHBondContact O-CG1 2.99Å; R233-I237 PolarHBondContact O-N 2.78Å; E234-I237 PolarHBondContact O-N 3.27Å; I237-E240 PolarHBondContact O-N 2.92Å; I237-S241 WeakPolarHBondContact O-CB 3.35Å; I237-S241 PolarHBondContact O-N 2.78Å
238	S	89.4	Confident	87.2	Confident	12 Å²	12	25.2 Å²	25.2	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-40.1	176	-69.6	0	0	0	0	112.5	E234 C235 I236 S241 L242 F255	E234-S238 WeakPolarHBondContact O-CB 3.46Å; E234-S238 PolarHBondContact O-N 2.65Å; E234-S238 PolarHBondContact O-OG 3.29Å; C235-S238 PolarHBondContact O-N 2.93Å; I236-S238 VanDerWaalsContact C-N 3.28Å; I236-S238 PolarHBondContact O-N 3.2Å; S238-S241 PolarHBondContact O-N 2.77Å; S238-L242 WeakPolarHBondContact O-CB 3.29Å; S238-L242 PolarHBondContact O-N 2.86Å; S238-F255 WeakPolarHBondContact OG-CZ 3.45Å
239	L	91.5	Very high	86	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-42.3	174.3	-171.3	65.5	0	0	0	111.2	F126 W130 I135 C235 I236 L242 H243 L274 F278 L356	F126-L239 HydrophobicContact CE1-CD1 4.2Å; F126-L239 HydrophobicContact CZ-CD1 3.91Å; W130-L239 HydrophobicContact CH2-CD1 3.85Å; W130-L239 HydrophobicContact CH2-CD2 3.85Å; W130-L239 HydrophobicContact CZ2-CD1 4.05Å; W130-L239 HydrophobicContact CZ2-CD2 3.78Å; W130-L239 HydrophobicContact CZ3-CD1 4.14Å; I135-L239 HydrophobicContact CD1-CD1 3.55Å; I135-L239 HydrophobicContact CD1-CD2 4.08Å; I135-L239 HydrophobicContact CD1-CG 3.75Å; C235-L239 WeakPolarHBondContact O-CB 3.5Å; C235-L239 PolarHBondContact O-N 2.69Å; I236-L239 PolarHBondContact O-N 2.69Å; L239-L242 PolarHBondContact O-N 2.92Å; L239-H243 VanDerWaalsContact O-CB 3.23Å; L239-H243 WeakPolarHBondContact O-CB 3.31Å; L239-H243 PolarHBondContact O-N 3.4Å; L239-L274 HydrophobicContact CB-CD2 4.27Å; L239-L274 HydrophobicContact CD1-CD2 3.98Å; L239-F278 HydrophobicContact CB-CE2 4.16Å; L239-F278 HydrophobicContact CB-CZ 4.15Å; L239-F278 HydrophobicContact CD1-CE2 4.39Å; L239-F278 HydrophobicContact CD2-CE2 4.14Å; L239-F278 HydrophobicContact CD2-CZ 3.86Å; L239-F278 HydrophobicContact CG-CE2 4.47Å; L239-L356 HydrophobicContact CD2-CD2 4.4Å; L239-L356 HydrophobicContact CG-CD2 4.49Å
240	E	89.6	Confident	84.3	Confident	39 Å²	39	38.8 Å²	38.8	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-50.8	173.9	-173.9	-178.5	-145.1	0	0	111.1	I236 I237 L242 H243 I244 L356 R359	I236-E240 WeakPolarHBondContact O-CB 3.41Å; I236-E240 PolarHBondContact O-N 3.02Å; I237-E240 PolarHBondContact O-N 2.92Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 2.84Å; E240-H243 PolarHBondContact O-N 3.34Å; E240-H243 VanDerWaalsContact O-N 3.13Å; E240-I244 HydrophobicContact CG-CD1 3.53Å; E240-I244 HydrophobicContact CG-CG1 4.11Å; E240-I244 WeakPolarHBondContact O-CB 3.4Å; E240-I244 WeakPolarHBondContact O-CG1 3.39Å; E240-I244 PolarHBondContact O-N 3.34Å; E240-L356 HydrophobicContact CB-CD1 3.41Å; E240-L356 VanDerWaalsContact CB-CD1 3.41Å; E240-L356 HydrophobicContact CG-CD1 4.02Å; E240-R359 IonicContact OE1-NH2 3.58Å; E240-R359 PolarHBondContact OE1-NH2 2.8Å; E240-R359 VanDerWaalsContact OE1-NH2 3.09Å; E240-R359 IonicContact OE2-CZ 2.78Å; E240-R359 IonicContact OE2-NH1 3.85Å; E240-R359 IonicContact OE2-NH2 3.16Å; E240-R359 PolarHBondContact OE2-NH2 2.73Å
241	S	87.3	Confident	82.6	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-44.9	178.7	179.5	0	0	0	0	111.3	I237 S238 H243 I244 H245 G246 N247 I249	I237-S241 WeakPolarHBondContact O-CB 3.35Å; I237-S241 PolarHBondContact O-N 2.78Å; S238-S241 PolarHBondContact O-N 2.77Å; S241-H243 VanDerWaalsContact C-N 3.33Å; S241-H243 PolarHBondContact O-N 2.98Å; S241-I244 PolarHBondContact O-N 2.9Å; S241-H245 WeakPolarHBondContact O-CA 3.23Å; S241-H245 VanDerWaalsContact O-CB 3.28Å; S241-H245 WeakPolarHBondContact O-CB 3.26Å; S241-H245 PolarHBondContact O-N 3.41Å; S241-G246 PolarHBondContact O-N 3.24Å; S241-N247 CarbonylContact C-O 3.55Å; S241-N247 VanDerWaalsContact O-O 3.14Å; S241-N247 PolarHBondContact OG-O 2.82Å; S241-I249 WeakPolarHBondContact OG-CG1 3.47Å; S241-I249 PolarHBondContact OG-N 2.92Å
242	L	88.5	Confident	80.7	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-41.3	178.1	-172.4	66.1	0	0	0	111.3	A122 F126 S238 L239 E240 G246 N247 F248 L274	A122-L242 WeakPolarHBondContact CA-O 3.28Å; A122-L242 HydrophobicContact CB-CD2 4.35Å; A122-L242 HydrophobicContact CB-CG 3.91Å; A122-L242 PolarHBondContact N-O 3.26Å; F126-L242 HydrophobicContact CB-CD2 4.44Å; F126-L242 HydrophobicContact CD1-CD2 3.7Å; F126-L242 HydrophobicContact CD2-CD2 3.61Å; F126-L242 HydrophobicContact CE1-CD2 3.72Å; F126-L242 HydrophobicContact CE2-CD2 3.61Å; F126-L242 HydrophobicContact CG-CD2 3.64Å; F126-L242 HydrophobicContact CZ-CD2 3.66Å; S238-L242 WeakPolarHBondContact O-CB 3.29Å; S238-L242 PolarHBondContact O-N 2.86Å; L239-L242 PolarHBondContact O-N 2.92Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 2.84Å; L242-G246 WeakPolarHBondContact O-CA 3.45Å; L242-G246 PolarHBondContact O-N 3.43Å; L242-N247 PolarHBondContact N-O 2.68Å; L242-F248 HydrophobicContact CD1-CD2 4.36Å; L242-F248 HydrophobicContact CD1-CE2 3.99Å; L242-F248 HydrophobicContact CD1-CZ 4.29Å; L242-F248 HydrophobicContact CD2-CZ 4.05Å; L242-L274 HydrophobicContact CD2-CD2 4.29Å
243	H	88.2	Confident	78.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-44	178.1	169.7	75.2	0	0	0	112.6	F63 Y119 S120 S121 I135 L239 E240 S241 F443	F63-H243 AromaticContact CE1-NE2 3.55Å; Y119-H243 PolarHBondContact O-CE1 3.11Å; Y119-H243 PolarHBondContact O-ND1 3.13Å; S120-H243 WeakPolarHBondContact OG-CA 3.28Å; S120-H243 PolarHBondContact OG-ND1 2.64Å; S121-H243 VanDerWaalsContact CB-O 3.31Å; S121-H243 WeakPolarHBondContact CB-O 3.27Å; S121-H243 PolarHBondContact N-O 2.57Å; I135-H243 HydrophobicContact CD1-CB 4.38Å; L239-H243 VanDerWaalsContact O-CB 3.23Å; L239-H243 WeakPolarHBondContact O-CB 3.31Å; L239-H243 PolarHBondContact O-N 3.4Å; E240-H243 PolarHBondContact O-N 3.34Å; E240-H243 VanDerWaalsContact O-N 3.13Å; S241-H243 VanDerWaalsContact C-N 3.33Å; S241-H243 PolarHBondContact O-N 2.98Å; H243-F443 AromaticContact CD2-CE1 3.75Å; H243-F443 AromaticContact NE2-CD1 3.37Å; H243-F443 WeakPolarHBondContact NE2-CD1 3.2Å; H243-F443 AromaticContact NE2-CE1 3.05Å; H243-F443 WeakPolarHBondContact NE2-CE1 3.23Å; H243-F443 AromaticContact NE2-CZ 3.96Å
244	I	85.7	Confident	76.3	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-84.9	-43.5	-173.8	-64	-176.2	0	0	0	112.6	N64 S121 E240 S241	N64-I244 HydrophobicContact CB-CG2 3.56Å; N64-I244 WeakPolarHBondContact OD1-CG2 3.48Å; S121-I244 PolarHBondContact OG-O 3.12Å; E240-I244 HydrophobicContact CG-CD1 3.53Å; E240-I244 HydrophobicContact CG-CG1 4.11Å; E240-I244 WeakPolarHBondContact O-CB 3.4Å; E240-I244 WeakPolarHBondContact O-CG1 3.39Å; E240-I244 PolarHBondContact O-N 3.34Å; S241-I244 PolarHBondContact O-N 2.9Å
245	H	82.9	Confident	74.1	Confident	87 Å²	87	45.9 Å²	45.9	40%	0.403	24%	0.241	S	C	.	.	H	α-helix	trans	-105.9	-13.6	-172.7	-55.3	-60.4	0	0	0	113.6	N64 S241 N247	N64-H245 PolarHBondContact OD1-CE1 2.89Å; S241-H245 WeakPolarHBondContact O-CA 3.23Å; S241-H245 VanDerWaalsContact O-CB 3.28Å; S241-H245 WeakPolarHBondContact O-CB 3.26Å; S241-H245 PolarHBondContact O-N 3.41Å; H245-N247 WeakPolarHBondContact CB-OD1 3.5Å; H245-N247 PolarHBondContact O-N 2.93Å
246	G	81.9	Confident	72.1	Confident	20 Å²	20	52.1 Å²	52.1	21%	0.206	27%	0.268	C	S	.	.	S	Bend	trans	74.5	5.8	-176	0	0	0	0	0	114.2	S121 S241 L242	S121-G246 WeakPolarHBondContact O-CA 3.35Å; S241-G246 PolarHBondContact O-N 3.24Å; L242-G246 WeakPolarHBondContact O-CA 3.45Å; L242-G246 PolarHBondContact O-N 3.43Å
247	N	78.6	Confident	70.1	Confident	94 Å²	94	55.1 Å²	55.1	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-143.8	166.4	179.3	61.9	23.5	0	0	0	111	S241 L242 H245	S241-N247 CarbonylContact C-O 3.55Å; S241-N247 VanDerWaalsContact O-O 3.14Å; S241-N247 PolarHBondContact OG-O 2.82Å; L242-N247 PolarHBondContact N-O 2.68Å; H245-N247 WeakPolarHBondContact CB-OD1 3.5Å; H245-N247 PolarHBondContact O-N 2.93Å
248	F	71.8	Confident	68.3	Low	31 Å²	31	55.2 Å²	55.2	14%	0.136	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-87.3	138.5	174.4	-65.5	-89.3	0	0	0	110.3	L242 N270 T271 L274	L242-F248 HydrophobicContact CD1-CD2 4.36Å; L242-F248 HydrophobicContact CD1-CE2 3.99Å; L242-F248 HydrophobicContact CD1-CZ 4.29Å; L242-F248 HydrophobicContact CD2-CZ 4.05Å; F248-N270 WeakPolarHBondContact CB-ND2 3.4Å; F248-N270 HydrophobicContact CD2-CB 3.54Å; F248-N270 VanDerWaalsContact CD2-CG 3.46Å; F248-N270 VanDerWaalsContact CD2-ND2 3.3Å; F248-N270 WeakPolarHBondContact CD2-ND2 3.42Å; F248-N270 VanDerWaalsContact CE2-C 3.5Å; F248-N270 HydrophobicContact CE2-CB 3.58Å; F248-N270 HydrophobicContact CG-CB 4.2Å; F248-N270 WeakPolarHBondContact CG-ND2 2.88Å; F248-N270 HydrophobicContact CZ-CB 4.26Å; F248-N270 WeakPolarHBondContact CZ-O 3.36Å; F248-T271 HydrophobicContact CE2-CG2 3.87Å; F248-T271 HydrophobicContact CZ-CG2 4.37Å; F248-L274 HydrophobicContact CE1-CB 3.97Å; F248-L274 HydrophobicContact CE1-CD2 3.84Å; F248-L274 HydrophobicContact CE1-CG 4.33Å; F248-L274 HydrophobicContact CZ-CB 4.05Å; F248-L274 HydrophobicContact CZ-CD2 4.2Å
249	I	62.2	Low	66.2	Low	105 Å²	105	55.6 Å²	55.6	54%	0.538	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-65.3	136.5	163.1	-66.5	155.1	0	0	0	108	S241 K251	S241-I249 WeakPolarHBondContact OG-CG1 3.47Å; S241-I249 PolarHBondContact OG-N 2.92Å; I249-K251 PolarHBondContact O-N 3.35Å
250	K	52.3	Low	64	Low	207 Å²	207	63.3 Å²	63.3	90%	0.9	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-53	128.1	179.4	-83.2	-178.6	175.6	179	0	110.5
251	K	51.5	Low	62	Low	79 Å²	79	66.1 Å²	66.1	34%	0.343	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-57.7	144.9	-166.2	-68.9	179.5	173.7	-173.8	0	115.1	I249 F255 N270 E273	I249-K251 PolarHBondContact O-N 3.35Å; K251-F255 HydrophobicContact CB-CB 4.26Å; K251-F255 HydrophobicContact CB-CG 4.48Å; K251-F255 HydrophobicContact CD-CB 3.81Å; K251-F255 HydrophobicContact CD-CD1 4.49Å; K251-F255 HydrophobicContact CD-CG 4.2Å; K251-F255 HydrophobicContact CG-CB 4.11Å; K251-F255 HydrophobicContact CG-CD2 4.44Å; K251-F255 HydrophobicContact CG-CG 4.12Å; K251-N270 WeakPolarHBondContact CE-OD1 3.33Å; K251-N270 PolarHBondContact NZ-OD1 2.68Å; K251-E273 IonicContact NZ-OE2 2.66Å; K251-E273 PolarHBondContact NZ-OE2 3.42Å
252	S	47.9	Very low	59.9	Low	62 Å²	62	72.9 Å²	72.9	43%	0.434	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-74.4	147.9	152	162.4	0	0	0	0	110.1	A254 F255	S252-A254 PolarHBondContact O-N 2.8Å; S252-A254 VanDerWaalsContact O-N 3.11Å; S252-F255 WeakPolarHBondContact O-CB 3.48Å; S252-F255 PolarHBondContact O-N 3.01Å; S252-F255 VanDerWaalsContact O-N 3.15Å
253	D	43.8	Very low	57.6	Low	121 Å²	121	76.5 Å²	76.5	65%	0.647	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	-179.1	-75.3	-47.9	0	0	0	114.3	F255 K256	D253-F255 PolarHBondContact O-N 2.78Å; D253-K256 PolarHBondContact O-N 3.11Å; D253-K256 VanDerWaalsContact O-N 3.07Å; D253-K256 IonicContact OD1-NZ 3.61Å; D253-K256 PolarHBondContact OD1-NZ 2.9Å
254	A	46.1	Very low	55	Low	44 Å²	44	84.2 Å²	84.2	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-57	-33.3	173.6	0	0	0	0	0	112.9	S252 K256 A257	S252-A254 PolarHBondContact O-N 2.8Å; S252-A254 VanDerWaalsContact O-N 3.11Å; A254-K256 PolarHBondContact O-N 3.36Å; A254-A257 PolarHBondContact O-N 2.75Å
255	F	43.9	Very low	52.5	Low	8 Å²	8	90.4 Å²	90.4	4%	0.035	48%	0.481	C	S	.	.	H	α-helix	trans	-60.9	-27.6	176.8	-92.2	-90.4	0	0	0	114	E234 S238 K251 S252 D253 M277	E234-F255 HydrophobicContact CB-CE2 3.72Å; E234-F255 HydrophobicContact CB-CZ 3.99Å; E234-F255 HydrophobicContact CG-CE2 4.38Å; E234-F255 WeakPolarHBondContact O-CZ 3.03Å; S238-F255 WeakPolarHBondContact OG-CZ 3.45Å; K251-F255 HydrophobicContact CB-CB 4.26Å; K251-F255 HydrophobicContact CB-CG 4.48Å; K251-F255 HydrophobicContact CD-CB 3.81Å; K251-F255 HydrophobicContact CD-CD1 4.49Å; K251-F255 HydrophobicContact CD-CG 4.2Å; K251-F255 HydrophobicContact CG-CB 4.11Å; K251-F255 HydrophobicContact CG-CD2 4.44Å; K251-F255 HydrophobicContact CG-CG 4.12Å; S252-F255 WeakPolarHBondContact O-CB 3.48Å; S252-F255 PolarHBondContact O-N 3.01Å; S252-F255 VanDerWaalsContact O-N 3.15Å; D253-F255 PolarHBondContact O-N 2.78Å; F255-M277 HydrophobicContact CD1-CE 3.6Å; F255-M277 HydrophobicContact CD1-SD 3.64Å; F255-M277 HydrophobicContact CE1-CE 3.53Å; F255-M277 HydrophobicContact CE1-SD 3.73Å; F255-M277 HydrophobicContact CG-CE 4.49Å; F255-M277 HydrophobicContact CZ-CE 4.36Å
256	K	49	Very low	50.1	Low	133 Å²	133	90.9 Å²	90.9	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-80.5	-31.4	-179.5	-69.5	175.7	-174.6	155.9	0	111.9	D253 A254 L259 Q260	D253-K256 PolarHBondContact O-N 3.11Å; D253-K256 VanDerWaalsContact O-N 3.07Å; D253-K256 IonicContact OD1-NZ 3.61Å; D253-K256 PolarHBondContact OD1-NZ 2.9Å; A254-K256 PolarHBondContact O-N 3.36Å; K256-L259 PolarHBondContact O-N 2.76Å; K256-Q260 PolarHBondContact O-N 2.81Å
257	A	49.7	Very low	47.8	Very low	63 Å²	63	94.7 Å²	94.7	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-70.1	-36.6	-176	0	0	0	0	0	112.8	A254 L259	A254-A257 PolarHBondContact O-N 2.75Å; A257-L259 VanDerWaalsContact C-N 3.28Å; A257-L259 PolarHBondContact O-N 2.89Å
258	I	51.9	Low	45.7	Very low	37 Å²	37	95.6 Å²	95.6	19%	0.19	53%	0.529	C	S	.	.	H	α-helix	trans	-66.2	-32.6	179.1	-60.9	165.4	0	0	0	111.6	D231 P261 M277	D231-I258 HydrophobicContact CB-CD1 3.81Å; D231-I258 VanDerWaalsContact CG-CD1 3.4Å; D231-I258 WeakPolarHBondContact OD1-CD1 3.42Å; I258-P261 WeakPolarHBondContact O-CD 3.23Å; I258-M277 HydrophobicContact CD1-CE 3.7Å; I258-M277 HydrophobicContact CG2-CG 4.5Å
259	L	45.8	Very low	44.5	Very low	21 Å²	21	99 Å²	99	11%	0.11	55%	0.546	C	S	.	.	H	α-helix	trans	-91.5	-7.1	-174	-68.8	169.8	0	0	0	113.8	K256 A257 P261 F262 S263 E273 M277	K256-L259 PolarHBondContact O-N 2.76Å; A257-L259 VanDerWaalsContact C-N 3.28Å; A257-L259 PolarHBondContact O-N 2.89Å; L259-P261 VanDerWaalsContact C-N 3.27Å; L259-F262 PolarHBondContact O-N 3.24Å; L259-S263 PolarHBondContact O-N 3.09Å; L259-E273 HydrophobicContact CD1-CB 4.3Å; L259-E273 HydrophobicContact CD1-CG 4.26Å; L259-M277 HydrophobicContact CD1-SD 4.29Å; L259-M277 HydrophobicContact CD2-CG 3.99Å; L259-M277 HydrophobicContact CG-CG 4.35Å; L259-M277 HydrophobicContact CG-SD 4.48Å
260	Q	45.8	Very low	44.6	Very low	161 Å²	161	95.8 Å²	95.8	75%	0.752	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.6	-176.4	-148.6	171.5	3.3	0	0	114.9	K256 F262	K256-Q260 PolarHBondContact O-N 2.81Å; Q260-F262 VanDerWaalsContact C-N 3.31Å; Q260-F262 PolarHBondContact O-N 3.3Å
261	P	47.5	Very low	45.5	Very low	99 Å²	99	87.5 Å²	87.5	64%	0.643	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-9.2	171.6	-12.9	28.4	0	0	0	114.9	I258 L259	I258-P261 WeakPolarHBondContact O-CD 3.23Å; L259-P261 VanDerWaalsContact C-N 3.27Å
262	F	43.8	Very low	46.9	Very low	146 Å²	146	87.2 Å²	87.2	64%	0.64	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	6.2	-165.1	-65.6	-72.2	0	0	0	115.5	L259 Q260	L259-F262 PolarHBondContact O-N 3.24Å; Q260-F262 VanDerWaalsContact C-N 3.31Å; Q260-F262 PolarHBondContact O-N 3.3Å
263	S	38.3	Very low	48.6	Very low	77 Å²	77	86 Å²	86	54%	0.538	49%	0.486	S	S	.	.			trans	-124.3	88.8	-174.7	75.6	0	0	0	0	114.7	L259	L259-S263 PolarHBondContact O-N 3.09Å
264	D	35.1	Very low	50.6	Low	163 Å²	163	80.3 Å²	80.3	87%	0.872	46%	0.455	S	S	*	.	S	Bend	trans	-99	73.5	152.5	-75.9	-29.3	0	0	0	108.6
265	N	33.6	Very low	52.7	Low	140 Å²	140	79.3 Å²	79.3	75%	0.749	44%	0.443	S	S	*	.			trans	159.3	121.8	151.5	-90.3	-42.9	0	0	0	111.4
266	P	32.2	Very low	54.9	Low	98 Å²	98	81.9 Å²	81.9	64%	0.636	46%	0.46	S	S	*	.			trans	-102.3	94.3	173.5	35.3	-24.5	0	0	0	111.5	H269	P266-H269 WeakPolarHBondContact CA-CE1 3.27Å; P266-H269 WeakPolarHBondContact CA-NE2 3.25Å; P266-H269 WeakPolarHBondContact CB-NE2 3.42Å
267	S	32.3	Very low	56.6	Low	100 Å²	100	75.7 Å²	75.7	70%	0.699	43%	0.433	S	S	*	.	S	Bend	trans	-174.5	82.2	160.1	39.8	0	0	0	0	114.7	H269	S267-H269 PolarHBondContact N-NE2 2.98Å; S267-H269 VanDerWaalsContact N-NE2 3.15Å
268	S	35.7	Very low	58.6	Low	113 Å²	113	72.7 Å²	72.7	79%	0.79	41%	0.409	S	S	*	.	S	Bend	trans	166.6	63.7	147	47.3	0	0	0	0	107.2
269	H	45.9	Very low	60.5	Low	103 Å²	103	73.1 Å²	73.1	48%	0.477	41%	0.409	S	S	.	.			trans	-84.6	151.7	-150.3	-74.8	-71.6	0	0	0	115.2	P266 S267 E273	P266-H269 WeakPolarHBondContact CA-CE1 3.27Å; P266-H269 WeakPolarHBondContact CA-NE2 3.25Å; P266-H269 WeakPolarHBondContact CB-NE2 3.42Å; S267-H269 PolarHBondContact N-NE2 2.98Å; S267-H269 VanDerWaalsContact N-NE2 3.15Å; H269-E273 IonicContact CE1-OE1 3.61Å; H269-E273 IonicContact CG-OE1 3.69Å; H269-E273 IonicContact ND1-OE1 2.76Å; H269-E273 PolarHBondContact ND1-OE1 3.36Å
270	N	64.1	Low	62.5	Low	36 Å²	36	74.5 Å²	74.5	19%	0.193	42%	0.421	C	S	.	.	S	Bend	trans	107.9	-42.6	154.7	-124.8	5.1	0	0	0	118.2	F248 K251 L274	F248-N270 WeakPolarHBondContact CB-ND2 3.4Å; F248-N270 HydrophobicContact CD2-CB 3.54Å; F248-N270 VanDerWaalsContact CD2-CG 3.46Å; F248-N270 VanDerWaalsContact CD2-ND2 3.3Å; F248-N270 WeakPolarHBondContact CD2-ND2 3.42Å; F248-N270 VanDerWaalsContact CE2-C 3.5Å; F248-N270 HydrophobicContact CE2-CB 3.58Å; F248-N270 HydrophobicContact CG-CB 4.2Å; F248-N270 WeakPolarHBondContact CG-ND2 2.88Å; F248-N270 HydrophobicContact CZ-CB 4.26Å; F248-N270 WeakPolarHBondContact CZ-O 3.36Å; K251-N270 WeakPolarHBondContact CE-OD1 3.33Å; K251-N270 PolarHBondContact NZ-OD1 2.68Å; N270-L274 PolarHBondContact O-N 3.32Å
271	T	71.5	Confident	64.6	Low	33 Å²	33	68 Å²	68	20%	0.202	39%	0.391	C	S	.	.	H	α-helix	trans	-76.1	-48.8	-177.4	50.7	0	0	0	0	114.5	F126 F248 E273 L274 I275	F126-T271 HydrophobicContact CB-CG2 4.22Å; F126-T271 HydrophobicContact CD2-CG2 4.19Å; F248-T271 HydrophobicContact CE2-CG2 3.87Å; F248-T271 HydrophobicContact CZ-CG2 4.37Å; T271-E273 PolarHBondContact O-N 3.07Å; T271-L274 PolarHBondContact O-N 3Å; T271-I275 PolarHBondContact O-N 3.01Å
272	N	81.3	Confident	66.6	Low	74 Å²	74	63.3 Å²	63.3	40%	0.396	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-33.7	176.3	-67.6	-22.9	0	0	0	111	K129 L274 I275 T276	K129-N272 PolarHBondContact NZ-OD1 3.11Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.36Å; N272-I275 PolarHBondContact O-N 3.21Å; N272-T276 PolarHBondContact O-N 3.01Å; N272-T276 PolarHBondContact O-OG1 2.86Å; N272-T276 VanDerWaalsContact O-OG1 3.06Å
273	E	82.8	Confident	68.7	Low	36 Å²	36	61.3 Å²	61.3	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-45.3	177	-69.1	173.1	-167.6	0	0	111.6	K251 L259 H269 T271 I275 T276 M277	K251-E273 IonicContact NZ-OE2 2.66Å; K251-E273 PolarHBondContact NZ-OE2 3.42Å; L259-E273 HydrophobicContact CD1-CB 4.3Å; L259-E273 HydrophobicContact CD1-CG 4.26Å; H269-E273 IonicContact CE1-OE1 3.61Å; H269-E273 IonicContact CG-OE1 3.69Å; H269-E273 IonicContact ND1-OE1 2.76Å; H269-E273 PolarHBondContact ND1-OE1 3.36Å; T271-E273 PolarHBondContact O-N 3.07Å; E273-I275 VanDerWaalsContact C-N 3.35Å; E273-I275 PolarHBondContact O-N 3.17Å; E273-T276 PolarHBondContact O-N 3.18Å; E273-M277 WeakPolarHBondContact O-CB 3.5Å; E273-M277 WeakPolarHBondContact O-CG 3.49Å; E273-M277 PolarHBondContact O-N 3.14Å
274	L	87.3	Confident	71	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.2	-176.3	66	0	0	0	111.7	F126 C235 L239 L242 F248 N270 T271 N272 M277 F278	F126-L274 HydrophobicContact CE2-CD2 4.12Å; F126-L274 HydrophobicContact CZ-CD2 4.15Å; C235-L274 HydrophobicContact CB-CD1 4.36Å; L239-L274 HydrophobicContact CB-CD2 4.27Å; L239-L274 HydrophobicContact CD1-CD2 3.98Å; L242-L274 HydrophobicContact CD2-CD2 4.29Å; F248-L274 HydrophobicContact CE1-CB 3.97Å; F248-L274 HydrophobicContact CE1-CD2 3.84Å; F248-L274 HydrophobicContact CE1-CG 4.33Å; F248-L274 HydrophobicContact CZ-CB 4.05Å; F248-L274 HydrophobicContact CZ-CD2 4.2Å; N270-L274 PolarHBondContact O-N 3.32Å; T271-L274 PolarHBondContact O-N 3Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.36Å; L274-M277 PolarHBondContact O-N 2.93Å; L274-F278 HydrophobicContact CD1-CD2 4.07Å; L274-F278 HydrophobicContact CD1-CE2 3.72Å; L274-F278 HydrophobicContact CD2-CE2 4.2Å; L274-F278 HydrophobicContact CG-CD2 3.96Å; L274-F278 HydrophobicContact CG-CE2 3.82Å; L274-F278 WeakPolarHBondContact O-CD2 3.47Å; L274-F278 PolarHBondContact O-N 2.91Å
275	I	89.7	Confident	73.3	Confident	22 Å²	22	53.9 Å²	53.9	11%	0.113	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-50.7	176.3	-62.8	175.8	0	0	0	109.6	F126 K129 W130 T271 N272 E273 M277 F278 H279	F126-I275 HydrophobicContact CD2-CD1 4.19Å; F126-I275 HydrophobicContact CD2-CG1 4.33Å; F126-I275 HydrophobicContact CE2-CD1 4.07Å; F126-I275 HydrophobicContact CE2-CG1 3.74Å; F126-I275 HydrophobicContact CZ-CG1 4.4Å; K129-I275 HydrophobicContact CB-CD1 3.59Å; K129-I275 HydrophobicContact CD-CD1 4.23Å; W130-I275 HydrophobicContact CE3-CG1 4.34Å; T271-I275 PolarHBondContact O-N 3.01Å; N272-I275 PolarHBondContact O-N 3.21Å; E273-I275 VanDerWaalsContact C-N 3.35Å; E273-I275 PolarHBondContact O-N 3.17Å; I275-M277 PolarHBondContact O-N 3.14Å; I275-F278 PolarHBondContact O-N 3.27Å; I275-H279 PolarHBondContact O-CD2 3.18Å; I275-H279 PolarHBondContact O-N 3.2Å
276	T	89.1	Confident	75.7	Confident	63 Å²	63	47.2 Å²	47.2	39%	0.387	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-39.3	176.9	-59.8	0	0	0	0	111.6	N272 E273 H279 S280	N272-T276 PolarHBondContact O-N 3.01Å; N272-T276 PolarHBondContact O-OG1 2.86Å; N272-T276 VanDerWaalsContact O-OG1 3.06Å; E273-T276 PolarHBondContact O-N 3.18Å; T276-H279 PolarHBondContact O-N 3.32Å; T276-S280 WeakPolarHBondContact O-CB 3.3Å; T276-S280 PolarHBondContact O-N 3.4Å; T276-S280 PolarHBondContact O-OG 3Å; T276-S280 VanDerWaalsContact O-OG 3.04Å
277	M	86.3	Confident	78.1	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-46.3	177.9	-74.2	176	65.8	0	0	112.4	F255 I258 L259 E273 L274 I275 H279 S280 L281	F255-M277 HydrophobicContact CD1-CE 3.6Å; F255-M277 HydrophobicContact CD1-SD 3.64Å; F255-M277 HydrophobicContact CE1-CE 3.53Å; F255-M277 HydrophobicContact CE1-SD 3.73Å; F255-M277 HydrophobicContact CG-CE 4.49Å; F255-M277 HydrophobicContact CZ-CE 4.36Å; I258-M277 HydrophobicContact CD1-CE 3.7Å; I258-M277 HydrophobicContact CG2-CG 4.5Å; L259-M277 HydrophobicContact CD1-SD 4.29Å; L259-M277 HydrophobicContact CD2-CG 3.99Å; L259-M277 HydrophobicContact CG-CG 4.35Å; L259-M277 HydrophobicContact CG-SD 4.48Å; E273-M277 WeakPolarHBondContact O-CB 3.5Å; E273-M277 WeakPolarHBondContact O-CG 3.49Å; E273-M277 PolarHBondContact O-N 3.14Å; L274-M277 PolarHBondContact O-N 2.93Å; I275-M277 PolarHBondContact O-N 3.14Å; M277-H279 VanDerWaalsContact C-N 3.26Å; M277-H279 PolarHBondContact O-N 3.36Å; M277-S280 PolarHBondContact O-N 3.21Å; M277-L281 WeakPolarHBondContact O-CB 3.47Å; M277-L281 PolarHBondContact O-N 3.2Å
278	F	91	Very high	80.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-42.2	174	-87.6	-71.1	0	0	0	111.5	W130 L232 C235 I236 L239 L274 I275 L281 I282 I348	W130-F278 AromaticContact CH2-CD2 3.83Å; W130-F278 HydrophobicContact CH2-CD2 3.83Å; W130-F278 AromaticContact CH2-CE2 3.86Å; W130-F278 HydrophobicContact CH2-CE2 3.86Å; W130-F278 HydrophobicContact CH2-CG 4.31Å; W130-F278 HydrophobicContact CH2-CZ 4.36Å; W130-F278 AromaticContact CZ3-CD2 3.91Å; W130-F278 HydrophobicContact CZ3-CD2 3.91Å; W130-F278 HydrophobicContact CZ3-CE2 4.22Å; L232-F278 HydrophobicContact CD1-CE1 4.42Å; C235-F278 HydrophobicContact CB-CD1 4.43Å; C235-F278 HydrophobicContact CB-CE1 3.92Å; C235-F278 HydrophobicContact CB-CE2 4.01Å; C235-F278 HydrophobicContact CB-CZ 3.68Å; I236-F278 HydrophobicContact CD1-CE1 3.89Å; I236-F278 HydrophobicContact CD1-CZ 3.9Å; L239-F278 HydrophobicContact CB-CE2 4.16Å; L239-F278 HydrophobicContact CB-CZ 4.15Å; L239-F278 HydrophobicContact CD1-CE2 4.39Å; L239-F278 HydrophobicContact CD2-CE2 4.14Å; L239-F278 HydrophobicContact CD2-CZ 3.86Å; L239-F278 HydrophobicContact CG-CE2 4.47Å; L274-F278 HydrophobicContact CD1-CD2 4.07Å; L274-F278 HydrophobicContact CD1-CE2 3.72Å; L274-F278 HydrophobicContact CD2-CE2 4.2Å; L274-F278 HydrophobicContact CG-CD2 3.96Å; L274-F278 HydrophobicContact CG-CE2 3.82Å; L274-F278 WeakPolarHBondContact O-CD2 3.47Å; L274-F278 PolarHBondContact O-N 2.91Å; I275-F278 PolarHBondContact O-N 3.27Å; F278-L281 PolarHBondContact O-N 2.74Å; F278-I282 HydrophobicContact CD1-CD1 4.02Å; F278-I282 WeakPolarHBondContact O-CB 3.44Å; F278-I282 PolarHBondContact O-N 3.4Å; F278-I348 HydrophobicContact CB-CG2 3.9Å
279	H	91.4	Very high	82.5	Confident	45 Å²	45	37.7 Å²	37.7	21%	0.208	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-55.2	176.7	-77.3	-122.3	0	0	0	110.8	I275 T276 M277 L281 I282 Y283 H349	I275-H279 PolarHBondContact O-CD2 3.18Å; I275-H279 PolarHBondContact O-N 3.2Å; T276-H279 PolarHBondContact O-N 3.32Å; M277-H279 VanDerWaalsContact C-N 3.26Å; M277-H279 PolarHBondContact O-N 3.36Å; H279-L281 PolarHBondContact O-N 3.09Å; H279-L281 VanDerWaalsContact O-N 3.12Å; H279-I282 PolarHBondContact O-N 3.31Å; H279-Y283 WeakPolarHBondContact O-CA 3.21Å; H279-Y283 WeakPolarHBondContact O-CB 3.4Å; H279-Y283 PolarHBondContact O-N 3.07Å; H279-H349 AromaticContact CD2-NE2 4Å; H279-H349 AromaticContact NE2-CE1 3.93Å; H279-H349 AromaticContact NE2-NE2 3.33Å; H279-H349 PolarHBondContact NE2-NE2 3.41Å
280	S	88.6	Confident	84	Confident	50 Å²	50	34.7 Å²	34.7	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-57.2	-31.6	179.4	-63.4	0	0	0	0	113.5	T276 M277 P284	T276-S280 WeakPolarHBondContact O-CB 3.3Å; T276-S280 PolarHBondContact O-N 3.4Å; T276-S280 PolarHBondContact O-OG 3Å; T276-S280 VanDerWaalsContact O-OG 3.04Å; M277-S280 PolarHBondContact O-N 3.21Å; S280-P284 VanDerWaalsContact O-CD 3.29Å; S280-P284 WeakPolarHBondContact O-CD 3.38Å; S280-P284 WeakPolarHBondContact O-CG 3.44Å
281	L	89.6	Confident	84.5	Confident	25 Å²	25	37.3 Å²	37.3	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-80.6	-48.8	-178.6	-173.1	66.6	0	0	0	112.6	F228 D231 L232 M277 F278 H279	F228-L281 HydrophobicContact CD2-CD1 3.37Å; F228-L281 HydrophobicContact CD2-CG 3.81Å; F228-L281 HydrophobicContact CE2-CD1 3.7Å; F228-L281 HydrophobicContact CE2-CD2 4.3Å; F228-L281 HydrophobicContact CE2-CG 3.55Å; F228-L281 WeakPolarHBondContact CE2-O 3.25Å; F228-L281 HydrophobicContact CG-CD1 4.13Å; F228-L281 HydrophobicContact CZ-CG 4.3Å; D231-L281 HydrophobicContact CB-CD1 3.98Å; D231-L281 HydrophobicContact CB-CD2 4.43Å; L232-L281 VanDerWaalsContact CA-CD2 3.48Å; L232-L281 HydrophobicContact CB-CD2 3.77Å; L232-L281 HydrophobicContact CD1-CD2 3.91Å; L232-L281 HydrophobicContact CG-CD2 4.45Å; M277-L281 WeakPolarHBondContact O-CB 3.47Å; M277-L281 PolarHBondContact O-N 3.2Å; F278-L281 PolarHBondContact O-N 2.74Å; H279-L281 PolarHBondContact O-N 3.09Å; H279-L281 VanDerWaalsContact O-N 3.12Å
282	I	90.1	Very high	84.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-91.3	-33.8	-171.1	-61.3	178.6	0	0	0	111.8	F205 F278 H279 P284 L285 I286 I348 L351	F205-I282 HydrophobicContact CE1-CD1 4.09Å; F205-I282 HydrophobicContact CE1-CG1 4.12Å; F205-I282 HydrophobicContact CE1-CG2 4.06Å; F205-I282 HydrophobicContact CZ-CD1 4.09Å; F205-I282 HydrophobicContact CZ-CG1 4.43Å; F278-I282 HydrophobicContact CD1-CD1 4.02Å; F278-I282 WeakPolarHBondContact O-CB 3.44Å; F278-I282 PolarHBondContact O-N 3.4Å; H279-I282 PolarHBondContact O-N 3.31Å; I282-P284 VanDerWaalsContact C-CD 3.49Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.44Å; I282-I286 HydrophobicContact CG2-CD1 3.82Å; I282-I286 HydrophobicContact CG2-CG1 3.98Å; I282-I286 PolarHBondContact O-N 3Å; I282-I286 VanDerWaalsContact O-N 3.13Å; I282-I348 HydrophobicContact CB-CG1 4.24Å; I282-I348 HydrophobicContact CB-CG2 4.33Å; I282-I348 HydrophobicContact CD1-CG2 4.25Å; I282-I348 HydrophobicContact CG2-CG1 4.01Å; I282-L351 HydrophobicContact CD1-CB 4.48Å; I282-L351 HydrophobicContact CG2-CD1 4.25Å
283	Y	86.8	Confident	83.9	Confident	105 Å²	105	36.8 Å²	36.8	41%	0.412	19%	0.187	S	C	.	.	H	α-helix	trans	-54.6	-44.2	-175.9	-173.9	-93.7	0	0	0	113.7	H279 L285 I286 H287 L344 I348	H279-Y283 WeakPolarHBondContact O-CA 3.21Å; H279-Y283 WeakPolarHBondContact O-CB 3.4Å; H279-Y283 PolarHBondContact O-N 3.07Å; Y283-L285 VanDerWaalsContact C-N 3.26Å; Y283-L285 PolarHBondContact O-N 3.2Å; Y283-I286 PolarHBondContact O-N 2.9Å; Y283-I286 VanDerWaalsContact O-N 3.14Å; Y283-H287 AromaticContact CD1-CD2 3.44Å; Y283-H287 VanDerWaalsContact CD1-CD2 3.44Å; Y283-H287 WeakPolarHBondContact CD1-CD2 3.34Å; Y283-H287 AromaticContact CD1-NE2 3.86Å; Y283-H287 AromaticContact CE1-CD2 3.14Å; Y283-H287 WeakPolarHBondContact CE1-CD2 3.48Å; Y283-H287 AromaticContact CE1-NE2 3.12Å; Y283-H287 WeakPolarHBondContact CE1-NE2 3.36Å; Y283-H287 AromaticContact CE2-CD2 3.88Å; Y283-H287 AromaticContact CE2-NE2 3.42Å; Y283-H287 WeakPolarHBondContact CE2-NE2 3.28Å; Y283-H287 AromaticContact CG-CD2 3.92Å; Y283-H287 AromaticContact CZ-CD2 3.4Å; Y283-H287 VanDerWaalsContact CZ-CD2 3.4Å; Y283-H287 AromaticContact CZ-CE1 3.95Å; Y283-H287 AromaticContact CZ-NE2 2.86Å; Y283-H287 PolarHBondContact O-CD2 2.85Å; Y283-H287 PolarHBondContact O-N 2.93Å; Y283-H287 PolarHBondContact OH-NE2 3.46Å; Y283-L344 HydrophobicContact CD2-CD1 4.24Å; Y283-L344 HydrophobicContact CE2-CD1 3.55Å; Y283-I348 HydrophobicContact CD2-CD1 4.22Å
284	P	85.9	Confident	83.2	Confident	74 Å²	74	39.2 Å²	39.2	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-35.9	176.7	-24	35.5	0	0	0	113.3	S280 I282 Y288	S280-P284 VanDerWaalsContact O-CD 3.29Å; S280-P284 WeakPolarHBondContact O-CD 3.38Å; S280-P284 WeakPolarHBondContact O-CG 3.44Å; I282-P284 VanDerWaalsContact C-CD 3.49Å; P284-Y288 WeakPolarHBondContact O-CB 3.49Å; P284-Y288 PolarHBondContact O-N 3Å
285	L	84.8	Confident	82.2	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-39.8	177	-61.7	179.5	0	0	0	111.7	F205 F206 I211 F228 I282 Y283 Y288 Y289 L322	F205-L285 HydrophobicContact CB-CD1 4.05Å; F205-L285 HydrophobicContact CD1-CD1 3.85Å; F205-L285 HydrophobicContact CG-CD1 4.18Å; F206-L285 HydrophobicContact CE1-CD1 4.41Å; F206-L285 HydrophobicContact CE1-CD2 4.45Å; I211-L285 HydrophobicContact CD1-CD2 3.84Å; I211-L285 HydrophobicContact CG2-CD2 3.76Å; F228-L285 HydrophobicContact CD2-CD1 4.18Å; F228-L285 HydrophobicContact CE1-CD1 4.39Å; F228-L285 HydrophobicContact CE2-CD1 3.34Å; F228-L285 HydrophobicContact CE2-CG 4.26Å; F228-L285 HydrophobicContact CZ-CD1 3.47Å; F228-L285 VanDerWaalsContact CZ-CD1 3.47Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.44Å; Y283-L285 VanDerWaalsContact C-N 3.26Å; Y283-L285 PolarHBondContact O-N 3.2Å; L285-Y288 PolarHBondContact O-N 3.16Å; L285-Y289 VanDerWaalsContact O-CD2 3.23Å; L285-Y289 WeakPolarHBondContact O-CD2 3.16Å; L285-Y289 PolarHBondContact O-N 2.85Å; L285-L322 HydrophobicContact CB-CD2 4.04Å
286	I	84.1	Confident	81	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-45.9	177.3	-59	171.6	0	0	0	110.1	I282 Y283 Y288 Y289 L290 L322 I326 L344 I347 I348	I282-I286 HydrophobicContact CG2-CD1 3.82Å; I282-I286 HydrophobicContact CG2-CG1 3.98Å; I282-I286 PolarHBondContact O-N 3Å; I282-I286 VanDerWaalsContact O-N 3.13Å; Y283-I286 PolarHBondContact O-N 2.9Å; Y283-I286 VanDerWaalsContact O-N 3.14Å; I286-Y288 PolarHBondContact O-N 3.35Å; I286-Y289 PolarHBondContact O-N 3.25Å; I286-L290 HydrophobicContact CG2-CD1 3.78Å; I286-L290 HydrophobicContact CG2-CG 4.15Å; I286-L290 WeakPolarHBondContact O-CB 3.32Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.33Å; I286-L290 PolarHBondContact O-N 3.45Å; I286-L322 HydrophobicContact CG1-CD1 3.75Å; I286-L322 HydrophobicContact CG1-CD2 4.09Å; I286-I326 HydrophobicContact CG2-CD1 4.42Å; I286-L344 HydrophobicContact CG2-CD2 3.59Å; I286-I347 HydrophobicContact CD1-CB 4.44Å; I286-I347 HydrophobicContact CD1-CG2 4.06Å; I286-I348 HydrophobicContact CD1-CD1 4.03Å; I286-I348 HydrophobicContact CD1-CG1 3.4Å; I286-I348 VanDerWaalsContact CD1-CG1 3.4Å
287	H	82.2	Confident	79.5	Confident	61 Å²	61	44 Å²	44	28%	0.282	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-46.2	176.3	-86.3	-80.6	0	0	0	112.3	Y283 Y289 L290 D291	Y283-H287 AromaticContact CD1-CD2 3.44Å; Y283-H287 VanDerWaalsContact CD1-CD2 3.44Å; Y283-H287 WeakPolarHBondContact CD1-CD2 3.34Å; Y283-H287 AromaticContact CD1-NE2 3.86Å; Y283-H287 AromaticContact CE1-CD2 3.14Å; Y283-H287 WeakPolarHBondContact CE1-CD2 3.48Å; Y283-H287 AromaticContact CE1-NE2 3.12Å; Y283-H287 WeakPolarHBondContact CE1-NE2 3.36Å; Y283-H287 AromaticContact CE2-CD2 3.88Å; Y283-H287 AromaticContact CE2-NE2 3.42Å; Y283-H287 WeakPolarHBondContact CE2-NE2 3.28Å; Y283-H287 AromaticContact CG-CD2 3.92Å; Y283-H287 AromaticContact CZ-CD2 3.4Å; Y283-H287 VanDerWaalsContact CZ-CD2 3.4Å; Y283-H287 AromaticContact CZ-CE1 3.95Å; Y283-H287 AromaticContact CZ-NE2 2.86Å; Y283-H287 PolarHBondContact O-CD2 2.85Å; Y283-H287 PolarHBondContact O-N 2.93Å; Y283-H287 PolarHBondContact OH-NE2 3.46Å; H287-Y289 VanDerWaalsContact C-N 3.3Å; H287-Y289 PolarHBondContact O-N 3.29Å; H287-L290 PolarHBondContact O-N 3.33Å; H287-D291 WeakPolarHBondContact O-CB 3.48Å; H287-D291 PolarHBondContact O-N 3.11Å
288	Y	81.5	Confident	77.8	Confident	48 Å²	48	49.6 Å²	49.6	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-54.3	-46.4	175.2	172.2	-94.2	0	0	0	112.2	I211 E214 P284 L285 I286 K292	I211-Y288 HydrophobicContact CB-CE1 4.25Å; I211-Y288 HydrophobicContact CG1-CD1 4.2Å; I211-Y288 HydrophobicContact CG1-CE1 3.88Å; I211-Y288 HydrophobicContact CG2-CD1 3.93Å; I211-Y288 HydrophobicContact CG2-CE1 4.1Å; I211-Y288 HydrophobicContact CG2-CG 4.2Å; E214-Y288 PolarHBondContact OE1-OH 3.45Å; E214-Y288 VanDerWaalsContact OE2-CE2 3.32Å; E214-Y288 WeakPolarHBondContact OE2-CE2 3.12Å; E214-Y288 PolarHBondContact OE2-OH 3.2Å; P284-Y288 WeakPolarHBondContact O-CB 3.49Å; P284-Y288 PolarHBondContact O-N 3Å; L285-Y288 PolarHBondContact O-N 3.16Å; I286-Y288 PolarHBondContact O-N 3.35Å; Y288-K292 HydrophobicContact CE1-CD 4.22Å; Y288-K292 WeakPolarHBondContact O-CB 3.31Å; Y288-K292 PolarHBondContact O-N 2.86Å; Y288-K292 PolarHBondContact OH-NZ 3.19Å; Y288-K292 VanDerWaalsContact OH-NZ 3.09Å
289	Y	78.5	Confident	75.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-71.8	-36.2	179.6	-80.1	-61.4	0	0	0	113.6	F205 F206 S209 I211 L285 I286 H287 K292 F293 N320 L322 L323	F205-Y289 VanDerWaalsContact O-CE2 3.3Å; F205-Y289 WeakPolarHBondContact O-CE2 3.31Å; F205-Y289 PolarHBondContact O-OH 3.4Å; F206-Y289 PolarHBondContact O-OH 3.46Å; S209-Y289 PolarHBondContact OG-OH 3.31Å; I211-Y289 HydrophobicContact CD1-CD2 4.49Å; I211-Y289 HydrophobicContact CD1-CE2 3.37Å; I211-Y289 VanDerWaalsContact CD1-CZ 3.46Å; I211-Y289 WeakPolarHBondContact CD1-OH 3.15Å; I211-Y289 HydrophobicContact CG1-CE2 4.18Å; I211-Y289 WeakPolarHBondContact CG1-OH 3.31Å; L285-Y289 VanDerWaalsContact O-CD2 3.23Å; L285-Y289 WeakPolarHBondContact O-CD2 3.16Å; L285-Y289 PolarHBondContact O-N 2.85Å; I286-Y289 PolarHBondContact O-N 3.25Å; H287-Y289 VanDerWaalsContact C-N 3.3Å; H287-Y289 PolarHBondContact O-N 3.29Å; Y289-K292 PolarHBondContact O-N 3.1Å; Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.24Å; Y289-F293 PolarHBondContact O-N 3.1Å; Y289-N320 PolarHBondContact OH-ND2 2.83Å; Y289-L322 HydrophobicContact CD2-CD2 3.61Å; Y289-L322 HydrophobicContact CD2-CG 4.01Å; Y289-L322 HydrophobicContact CE2-CD2 4.08Å; Y289-L323 HydrophobicContact CD1-CB 4.24Å; Y289-L323 HydrophobicContact CD1-CD1 4.03Å; Y289-L323 HydrophobicContact CD1-CD2 4.37Å; Y289-L323 HydrophobicContact CD1-CG 4.45Å; Y289-L323 HydrophobicContact CE1-CB 4.46Å; Y289-L323 HydrophobicContact CE1-CD2 4.39Å
290	L	77.6	Confident	74	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-45.1	173.9	-73.1	171.8	0	0	0	111.3	I286 H287 K292 F293 L294 I326 L344	I286-L290 HydrophobicContact CG2-CD1 3.78Å; I286-L290 HydrophobicContact CG2-CG 4.15Å; I286-L290 WeakPolarHBondContact O-CB 3.32Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.33Å; I286-L290 PolarHBondContact O-N 3.45Å; H287-L290 PolarHBondContact O-N 3.33Å; L290-K292 VanDerWaalsContact C-N 3.32Å; L290-K292 PolarHBondContact O-N 2.96Å; L290-F293 PolarHBondContact O-N 2.75Å; L290-L294 VanDerWaalsContact O-CG 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.17Å; L290-L294 PolarHBondContact O-N 2.64Å; L290-I326 HydrophobicContact CD2-CD1 4.21Å; L290-I326 HydrophobicContact CD2-CG1 4.32Å; L290-I326 HydrophobicContact CD2-CG2 3.77Å; L290-I326 HydrophobicContact CG-CD1 4.24Å; L290-L344 HydrophobicContact CD1-CD2 4.04Å
291	D	73.6	Confident	72	Confident	91 Å²	91	63.8 Å²	63.8	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-42.8	176.5	-72.4	-20.2	0	0	0	111.1	H287 N295	H287-D291 WeakPolarHBondContact O-CB 3.48Å; H287-D291 PolarHBondContact O-N 3.11Å; D291-N295 WeakPolarHBondContact O-CB 3.37Å; D291-N295 PolarHBondContact O-N 3.11Å; D291-N295 PolarHBondContact O-ND2 3.46Å
292	K	71	Confident	70	Confident	81 Å²	81	68.8 Å²	68.8	35%	0.352	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-42.7	176.9	-168	169	-169.6	140.6	0	112	E214 Y288 Y289 L290 N295 S296	E214-K292 IonicContact OE1-NZ 2.69Å; E214-K292 PolarHBondContact OE1-NZ 2.99Å; Y288-K292 HydrophobicContact CE1-CD 4.22Å; Y288-K292 WeakPolarHBondContact O-CB 3.31Å; Y288-K292 PolarHBondContact O-N 2.86Å; Y288-K292 PolarHBondContact OH-NZ 3.19Å; Y288-K292 VanDerWaalsContact OH-NZ 3.09Å; Y289-K292 PolarHBondContact O-N 3.1Å; L290-K292 VanDerWaalsContact C-N 3.32Å; L290-K292 PolarHBondContact O-N 2.96Å; K292-N295 PolarHBondContact O-N 2.8Å; K292-S296 PolarHBondContact O-N 2.8Å; K292-S296 PolarHBondContact O-OG 3Å
293	F	69.3	Low	67.8	Low	15 Å²	15	74.8 Å²	74.8	7%	0.066	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-49	178.5	-178.8	-94.3	0	0	0	111.7	Y289 L290 N295 S296 E297 I326 N327 H330	Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.24Å; Y289-F293 PolarHBondContact O-N 3.1Å; L290-F293 PolarHBondContact O-N 2.75Å; F293-N295 VanDerWaalsContact C-N 3.29Å; F293-N295 PolarHBondContact O-N 2.96Å; F293-S296 WeakPolarHBondContact CA-OG 3.39Å; F293-S296 PolarHBondContact O-N 3.46Å; F293-S296 VanDerWaalsContact O-N 3.07Å; F293-S296 PolarHBondContact O-OG 3.31Å; F293-E297 HydrophobicContact CD1-CG 4.4Å; F293-E297 HydrophobicContact CE1-CG 3.93Å; F293-E297 WeakPolarHBondContact CE1-OE1 3.3Å; F293-E297 HydrophobicContact CZ-CG 4.1Å; F293-E297 WeakPolarHBondContact CZ-OE1 3.18Å; F293-E297 PolarHBondContact O-N 3.44Å; F293-I326 HydrophobicContact CG-CG2 4.37Å; F293-N327 WeakPolarHBondContact CD2-OD1 3.33Å; F293-N327 WeakPolarHBondContact CE2-OD1 3.36Å; F293-H330 AromaticContact CD1-NE2 3.94Å; F293-H330 HydrophobicContact CE1-CB 4.19Å; F293-H330 AromaticContact CE1-CD2 3.6Å; F293-H330 AromaticContact CE1-CE1 3.62Å; F293-H330 AromaticContact CE1-CG 3.54Å; F293-H330 AromaticContact CE1-ND1 3.54Å; F293-H330 AromaticContact CE1-NE2 3.71Å; F293-H330 HydrophobicContact CZ-CB 3.91Å; F293-H330 AromaticContact CZ-CG 3.76Å
294	L	68.8	Low	65.9	Low	86 Å²	86	77.5 Å²	77.5	45%	0.45	40%	0.396	S	S	.	.	H	α-helix	trans	-60.7	-38.7	176.5	-69.3	169.6	0	0	0	111.9	L290 S296 I298	L290-L294 VanDerWaalsContact O-CG 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.17Å; L290-L294 PolarHBondContact O-N 2.64Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.22Å; L294-I298 WeakPolarHBondContact O-CD1 3.46Å; L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.35Å; L294-I298 PolarHBondContact O-N 3.13Å
295	N	66	Low	63.9	Low	100 Å²	100	79.4 Å²	79.4	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-69.4	-27.1	176.3	-75	-42.7	0	0	0	113.5	D291 K292 F293	D291-N295 WeakPolarHBondContact O-CB 3.37Å; D291-N295 PolarHBondContact O-N 3.11Å; D291-N295 PolarHBondContact O-ND2 3.46Å; K292-N295 PolarHBondContact O-N 2.8Å; F293-N295 VanDerWaalsContact C-N 3.29Å; F293-N295 PolarHBondContact O-N 2.96Å
296	S	63.8	Low	62	Low	34 Å²	34	86.3 Å²	86.3	24%	0.238	45%	0.448	C	S	.	.	H	α-helix	trans	-78	-40.8	172.9	42.5	0	0	0	0	113	K292 F293 L294 I298 K299 E300	K292-S296 PolarHBondContact O-N 2.8Å; K292-S296 PolarHBondContact O-OG 3Å; F293-S296 WeakPolarHBondContact CA-OG 3.39Å; F293-S296 PolarHBondContact O-N 3.46Å; F293-S296 VanDerWaalsContact O-N 3.07Å; F293-S296 PolarHBondContact O-OG 3.31Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.22Å; S296-I298 VanDerWaalsContact C-N 3.26Å; S296-I298 PolarHBondContact O-N 2.98Å; S296-K299 WeakPolarHBondContact O-CA 3.37Å; S296-K299 PolarHBondContact O-N 2.82Å; S296-E300 PolarHBondContact O-N 2.91Å
297	E	57.5	Low	60.2	Low	53 Å²	53	88.2 Å²	88.2	25%	0.248	47%	0.467	C	S	.	.	H	α-helix	trans	-59.7	-37.6	177.1	-77.2	-173.1	154.3	0	0	112	F293 K299 E300 N301	F293-E297 HydrophobicContact CD1-CG 4.4Å; F293-E297 HydrophobicContact CE1-CG 3.93Å; F293-E297 WeakPolarHBondContact CE1-OE1 3.3Å; F293-E297 HydrophobicContact CZ-CG 4.1Å; F293-E297 WeakPolarHBondContact CZ-OE1 3.18Å; F293-E297 PolarHBondContact O-N 3.44Å; E297-K299 PolarHBondContact O-N 3.4Å; E297-E300 PolarHBondContact O-N 3.06Å; E297-N301 WeakPolarHBondContact O-CB 3.39Å; E297-N301 PolarHBondContact O-N 2.75Å; E297-N301 VanDerWaalsContact O-N 3.16Å; E297-N301 PolarHBondContact O-ND2 3.34Å
298	I	51.1	Low	58.8	Low	122 Å²	122	89.6 Å²	89.6	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-62.6	-27.8	175.5	-66.5	166.3	0	0	0	111.7	L294 S296	L294-I298 WeakPolarHBondContact O-CD1 3.46Å; L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.35Å; L294-I298 PolarHBondContact O-N 3.13Å; S296-I298 VanDerWaalsContact C-N 3.26Å; S296-I298 PolarHBondContact O-N 2.98Å
299	K	51.5	Low	57.3	Low	161 Å²	161	91.4 Å²	91.4	70%	0.7	49%	0.489	S	S	*	.	H	α-helix	trans	-89.8	-30.5	-179.8	-71.7	-179.4	179.3	177.5	0	113.5	S296 E297	S296-K299 WeakPolarHBondContact O-CA 3.37Å; S296-K299 PolarHBondContact O-N 2.82Å; E297-K299 PolarHBondContact O-N 3.4Å
300	E	51.2	Low	55.7	Low	88 Å²	88	97.6 Å²	97.6	41%	0.411	52%	0.518	S	S	.	.	H	α-helix	trans	-92.2	-22.8	-174.2	-75.2	178.5	179.1	0	0	114.1	S296 E297 I302 N303 Y311	S296-E300 PolarHBondContact O-N 2.91Å; E297-E300 PolarHBondContact O-N 3.06Å; E300-I302 PolarHBondContact O-N 2.92Å; E300-N303 PolarHBondContact O-N 2.81Å; E300-N303 VanDerWaalsContact O-N 3.16Å; E300-Y311 WeakPolarHBondContact OE2-CE2 3.49Å; E300-Y311 VanDerWaalsContact OE2-CZ 3.28Å; E300-Y311 PolarHBondContact OE2-OH 2.97Å
301	N	47.4	Very low	54.2	Low	144 Å²	144	100.4 Å²	100.4	77%	0.77	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	3.2	173.9	-87.3	-31.9	0	0	0	115.4	E297	E297-N301 WeakPolarHBondContact O-CB 3.39Å; E297-N301 PolarHBondContact O-N 2.75Å; E297-N301 VanDerWaalsContact O-N 3.16Å; E297-N301 PolarHBondContact O-ND2 3.34Å
302	I	46.3	Very low	53	Low	130 Å²	130	96.8 Å²	96.8	67%	0.667	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-18.9	176.2	-61.3	177.1	0	0	0	111.9	E300	E300-I302 PolarHBondContact O-N 2.92Å
303	N	44.2	Very low	51.9	Low	125 Å²	125	99.3 Å²	99.3	67%	0.668	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.2	-6.7	-159	-79.8	-27	0	0	0	121.3	E300	E300-N303 PolarHBondContact O-N 2.81Å; E300-N303 VanDerWaalsContact O-N 3.16Å
304	N	48.3	Very low	50.5	Low	163 Å²	163	103 Å²	103	87%	0.872	54%	0.544	S	S	*	.			trans	-152.5	131.8	176.1	-82.2	-40.3	0	0	0	113.3
305	S	43	Very low	49.4	Very low	114 Å²	114	101 Å²	101	80%	0.797	54%	0.537	S	S	*	.			trans	-112.9	13.4	-175.4	60.9	0	0	0	0	114.9
306	D	44.7	Very low	48.4	Very low	155 Å²	155	104.9 Å²	104.9	83%	0.829	55%	0.552	S	S	*	*	S	Bend	trans	-129.8	118.8	-177.6	-79.2	-36.7	0	0	0	111
307	G	46.7	Very low	47.8	Very low	39 Å²	39	110.2 Å²	110.2	40%	0.402	57%	0.571	S	S	.	*			trans	107	61.7	157	0	0	0	0	0	119	L309 E310 Y311	G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 3.15Å; G307-E310 PolarHBondContact O-N 2.7Å; G307-Y311 PolarHBondContact O-N 2.93Å; G307-Y311 VanDerWaalsContact O-N 3.09Å
308	N	53.6	Low	47.5	Very low	90 Å²	90	109.9 Å²	109.9	48%	0.481	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-25.7	-176.4	-73.3	8.8	0	0	0	116	Y331 E334	N308-Y331 HydrophobicContact CB-CE2 4.25Å; N308-E334 PolarHBondContact ND2-OE2 3.47Å
309	L	48.3	Very low	48.4	Very low	86 Å²	86	104.2 Å²	104.2	45%	0.45	55%	0.545	S	S	.	.	H	α-helix	trans	-85.1	-36.4	176.9	-162.8	78.1	0	0	0	112.5	G307 Y311 L312 Y331	G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 3.15Å; L309-Y311 PolarHBondContact O-N 3.31Å; L309-L312 HydrophobicContact CD1-CD1 4.46Å; L309-L312 PolarHBondContact O-N 3.34Å; L309-Y331 HydrophobicContact CD1-CE1 3.96Å; L309-Y331 HydrophobicContact CD1-CE2 4.2Å
310	E	46.3	Very low	50	Low	133 Å²	133	96.6 Å²	96.6	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-35.1	171.7	-84.5	-174.2	161.5	0	0	109.9	G307 L312 Q313 T314	G307-E310 PolarHBondContact O-N 2.7Å; E310-L312 VanDerWaalsContact C-N 3.33Å; E310-L312 PolarHBondContact O-N 2.97Å; E310-Q313 CarbonylContact O-C 3.54Å; E310-Q313 PolarHBondContact O-N 3.49Å; E310-T314 VanDerWaalsContact C-OG1 3.32Å; E310-T314 HydrophobicContact CB-CG2 4.26Å; E310-T314 VanDerWaalsContact O-CB 3.24Å; E310-T314 WeakPolarHBondContact O-CB 3.33Å; E310-T314 VanDerWaalsContact O-CG2 3.29Å; E310-T314 WeakPolarHBondContact O-CG2 3.42Å; E310-T314 PolarHBondContact O-N 2.93Å; E310-T314 PolarHBondContact O-OG1 3.03Å
311	Y	45.8	Very low	51.8	Low	99 Å²	99	92.4 Å²	92.4	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-54.6	-44.5	175.9	-178.9	-100.4	0	0	0	113.1	E300 G307 L309 Q313 S315	E300-Y311 WeakPolarHBondContact OE2-CE2 3.49Å; E300-Y311 VanDerWaalsContact OE2-CZ 3.28Å; E300-Y311 PolarHBondContact OE2-OH 2.97Å; G307-Y311 PolarHBondContact O-N 2.93Å; G307-Y311 VanDerWaalsContact O-N 3.09Å; L309-Y311 PolarHBondContact O-N 3.31Å; Y311-Q313 PolarHBondContact O-N 3.43Å; Y311-S315 PolarHBondContact O-N 3.43Å
312	L	48.8	Very low	53.8	Low	14 Å²	14	85.6 Å²	85.6	7%	0.073	46%	0.455	C	S	.	.	H	α-helix	trans	-63.1	-29.1	176.4	-71.6	174.6	0	0	0	113.2	L309 E310 N327 Y331	L309-L312 HydrophobicContact CD1-CD1 4.46Å; L309-L312 PolarHBondContact O-N 3.34Å; E310-L312 VanDerWaalsContact C-N 3.33Å; E310-L312 PolarHBondContact O-N 2.97Å; L312-N327 HydrophobicContact CD2-CB 3.75Å; L312-Y331 HydrophobicContact CD1-CD1 3.91Å; L312-Y331 HydrophobicContact CD1-CD2 3.93Å; L312-Y331 HydrophobicContact CD1-CG 3.6Å
313	Q	46.2	Very low	55.6	Low	135 Å²	135	81 Å²	81	63%	0.631	43%	0.432	S	S	*	.	H	α-helix	trans	-99.9	-24.1	-174.2	-65.2	-176.4	-16.1	0	0	114	E310 Y311	E310-Q313 CarbonylContact O-C 3.54Å; E310-Q313 PolarHBondContact O-N 3.49Å; Y311-Q313 PolarHBondContact O-N 3.43Å
314	T	41	Very low	57.5	Low	91 Å²	91	75.1 Å²	75.1	56%	0.558	40%	0.4	S	S	*	.	H	α-helix	trans	-104.1	-6.6	-172.9	59.8	0	0	0	0	114.1	E310 E316	E310-T314 VanDerWaalsContact C-OG1 3.32Å; E310-T314 HydrophobicContact CB-CG2 4.26Å; E310-T314 VanDerWaalsContact O-CB 3.24Å; E310-T314 WeakPolarHBondContact O-CB 3.33Å; E310-T314 VanDerWaalsContact O-CG2 3.29Å; E310-T314 WeakPolarHBondContact O-CG2 3.42Å; E310-T314 PolarHBondContact O-N 2.93Å; E310-T314 PolarHBondContact O-OG1 3.03Å; T314-E316 PolarHBondContact O-N 2.91Å
315	S	45.9	Very low	59.4	Low	45 Å²	45	67.5 Å²	67.5	32%	0.315	36%	0.36	S	S	.	.			trans	-50.4	107.8	167.7	152.9	0	0	0	0	109.7	Y311 K317	Y311-S315 PolarHBondContact O-N 3.43Å; S315-K317 PolarHBondContact O-N 3.45Å; S315-K317 PolarHBondContact OG-N 3.49Å; S315-K317 PolarHBondContact OG-O 2.85Å
316	E	44.5	Very low	61.3	Low	181 Å²	181	62.2 Å²	62.2	85%	0.846	32%	0.323	S	S	*	.	S	Bend	trans	-61.4	-13.1	178.1	-74.2	-167.8	145.6	0	0	113.3	T314 P318	T314-E316 PolarHBondContact O-N 2.91Å; E316-P318 WeakPolarHBondContact O-CD 3.44Å
317	K	51.1	Low	63	Low	147 Å²	147	55.8 Å²	55.8	64%	0.639	29%	0.288	S	S	*	.	S	Bend	trans	-82.4	118.2	179	-67.2	174.2	-173.6	161.5	0	108.8	S315 T319	S315-K317 PolarHBondContact O-N 3.45Å; S315-K317 PolarHBondContact OG-N 3.49Å; S315-K317 PolarHBondContact OG-O 2.85Å; K317-T319 PolarHBondContact O-N 3.48Å
318	P	51.6	Low	64.6	Low	45 Å²	45	53.9 Å²	53.9	29%	0.292	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-60.7	125.8	174	-4.2	13.6	0	0	0	108.7	P208 E316	P208-P318 HydrophobicContact CB-CB 4.13Å; P208-P318 HydrophobicContact CB-CG 3.84Å; P208-P318 WeakPolarHBondContact CD-O 3.41Å; P208-P318 HydrophobicContact CG-CB 3.52Å; P208-P318 HydrophobicContact CG-CG 3.54Å; P208-P318 WeakPolarHBondContact CG-O 3.39Å; E316-P318 WeakPolarHBondContact O-CD 3.44Å
319	T	70	Confident	65.9	Low	4 Å²	4	52 Å²	52	3%	0.025	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-95.6	151.2	179.7	56.1	0	0	0	0	109.6	P158 I161 K317 L323 Q324	P158-T319 WeakPolarHBondContact CD-OG1 3.21Å; P158-T319 WeakPolarHBondContact CG-OG1 2.78Å; I161-T319 VanDerWaalsContact CD1-O 3.23Å; I161-T319 WeakPolarHBondContact CD1-O 3.49Å; K317-T319 PolarHBondContact O-N 3.48Å; T319-L323 HydrophobicContact CG2-CD2 3.91Å; T319-L323 HydrophobicContact CG2-CG 4.31Å; T319-Q324 PolarHBondContact OG1-OE1 3.16Å
320	N	84.4	Confident	67.2	Low	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-91.6	168.5	162.1	53.2	64.8	0	0	0	109.8	V203 F205 Y289 L322 L323 Q324	V203-N320 CarbonylContact O-C 3.58Å; V203-N320 VanDerWaalsContact O-CA 3.26Å; V203-N320 WeakPolarHBondContact O-CA 3.08Å; V203-N320 WeakPolarHBondContact O-CB 3.45Å; F205-N320 VanDerWaalsContact O-CG 3.24Å; F205-N320 PolarHBondContact O-ND2 3.35Å; Y289-N320 PolarHBondContact OH-ND2 2.83Å; N320-L322 VanDerWaalsContact C-N 3.3Å; N320-L322 PolarHBondContact O-N 2.93Å; N320-L322 PolarHBondContact OD1-N 2.94Å; N320-L323 PolarHBondContact O-N 3.25Å; N320-L323 WeakPolarHBondContact OD1-CB 3.33Å; N320-L323 PolarHBondContact OD1-N 3.15Å; N320-Q324 WeakPolarHBondContact O-CB 3.39Å; N320-Q324 PolarHBondContact O-N 3.2Å
321	L	89.1	Confident	68.6	Low	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-39	-179.4	-177	63.7	0	0	0	112.8	A153 F154 L157 V203 F204 Q324 L325 L351	A153-L321 HydrophobicContact CB-CD1 4.27Å; F154-L321 HydrophobicContact CD1-CD1 4.34Å; F154-L321 HydrophobicContact CD2-CD1 4.12Å; F154-L321 HydrophobicContact CE1-CD1 4.31Å; F154-L321 HydrophobicContact CE1-CD2 4.07Å; F154-L321 HydrophobicContact CE2-CD1 4.09Å; F154-L321 HydrophobicContact CE2-CD2 3.87Å; F154-L321 HydrophobicContact CG-CD1 4.25Å; F154-L321 HydrophobicContact CZ-CD1 4.19Å; F154-L321 HydrophobicContact CZ-CD2 3.51Å; L157-L321 HydrophobicContact CD1-CD1 4.24Å; L157-L321 HydrophobicContact CD2-CB 4.46Å; L157-L321 HydrophobicContact CD2-CD1 4.49Å; V203-L321 PolarHBondContact O-N 3.23Å; F204-L321 HydrophobicContact CB-CB 4.49Å; F204-L321 HydrophobicContact CD1-CB 3.79Å; F204-L321 HydrophobicContact CD1-CD2 3.54Å; F204-L321 HydrophobicContact CD1-CG 4.33Å; F204-L321 HydrophobicContact CE1-CD2 3.74Å; F204-L321 HydrophobicContact CG-CD2 4.24Å; L321-Q324 PolarHBondContact O-N 3.5Å; L321-L325 HydrophobicContact CD1-CG 4.27Å; L321-L325 HydrophobicContact CG-CD1 4.05Å; L321-L325 HydrophobicContact CG-CG 4.28Å; L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 VanDerWaalsContact O-CG 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.98Å; L321-L351 HydrophobicContact CD2-CD2 4.05Å; L321-L351 HydrophobicContact CG-CD2 4.31Å
322	L	89.5	Confident	70.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-50.4	178.5	169	56.8	0	0	0	111.7	F204 F205 L285 I286 Y289 N320 Q324 L325 I326 I347 L351	F204-L322 VanDerWaalsContact O-CB 3.31Å; F204-L322 WeakPolarHBondContact O-CB 3.39Å; F204-L322 PolarHBondContact O-N 3.4Å; F205-L322 HydrophobicContact CD1-CD2 4.39Å; L285-L322 HydrophobicContact CB-CD2 4.04Å; I286-L322 HydrophobicContact CG1-CD1 3.75Å; I286-L322 HydrophobicContact CG1-CD2 4.09Å; Y289-L322 HydrophobicContact CD2-CD2 3.61Å; Y289-L322 HydrophobicContact CD2-CG 4.01Å; Y289-L322 HydrophobicContact CE2-CD2 4.08Å; N320-L322 VanDerWaalsContact C-N 3.3Å; N320-L322 PolarHBondContact O-N 2.93Å; N320-L322 PolarHBondContact OD1-N 2.94Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.3Å; L322-L325 WeakPolarHBondContact O-CB 3.38Å; L322-L325 PolarHBondContact O-N 3.38Å; L322-I326 HydrophobicContact CD1-CD1 4.03Å; L322-I326 HydrophobicContact CD1-CG1 4.36Å; L322-I326 HydrophobicContact CG-CD1 4.32Å; L322-I326 WeakPolarHBondContact O-CG1 3.4Å; L322-I326 PolarHBondContact O-N 2.82Å; L322-I347 HydrophobicContact CD1-CG2 3.95Å; L322-L351 HydrophobicContact CB-CD1 4.23Å; L322-L351 HydrophobicContact CD1-CD1 3.83Å; L322-L351 HydrophobicContact CG-CD1 4.46Å
323	L	84	Confident	71.3	Confident	33 Å²	33	47.1 Å²	47.1	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176	-177.7	58.7	0	0	0	111.1	Y289 T319 N320 L325 I326 N327	Y289-L323 HydrophobicContact CD1-CB 4.24Å; Y289-L323 HydrophobicContact CD1-CD1 4.03Å; Y289-L323 HydrophobicContact CD1-CD2 4.37Å; Y289-L323 HydrophobicContact CD1-CG 4.45Å; Y289-L323 HydrophobicContact CE1-CB 4.46Å; Y289-L323 HydrophobicContact CE1-CD2 4.39Å; T319-L323 HydrophobicContact CG2-CD2 3.91Å; T319-L323 HydrophobicContact CG2-CG 4.31Å; N320-L323 PolarHBondContact O-N 3.25Å; N320-L323 WeakPolarHBondContact OD1-CB 3.33Å; N320-L323 PolarHBondContact OD1-N 3.15Å; L323-L325 PolarHBondContact O-N 3.46Å; L323-I326 PolarHBondContact O-N 3.39Å; L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 PolarHBondContact O-N 2.72Å; L323-N327 PolarHBondContact O-OD1 3.36Å
324	Q	85.8	Confident	72.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-37.4	177.2	-164.1	59.1	35.3	0	0	112.4	A153 L157 T319 N320 L321 L322 N327 T328	A153-Q324 HydrophobicContact CB-CG 4.31Å; A153-Q324 WeakPolarHBondContact O-CG 3.21Å; L157-Q324 HydrophobicContact CD2-CB 4.07Å; L157-Q324 HydrophobicContact CD2-CG 4.3Å; T319-Q324 PolarHBondContact OG1-OE1 3.16Å; N320-Q324 WeakPolarHBondContact O-CB 3.39Å; N320-Q324 PolarHBondContact O-N 3.2Å; L321-Q324 PolarHBondContact O-N 3.5Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.3Å; Q324-N327 PolarHBondContact O-N 2.84Å; Q324-T328 VanDerWaalsContact O-CB 3.22Å; Q324-T328 WeakPolarHBondContact O-CB 3.47Å; Q324-T328 PolarHBondContact O-N 2.82Å; Q324-T328 PolarHBondContact O-OG1 3.13Å
325	L	87.5	Confident	74.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-42.4	173.5	-75.5	166.2	0	0	0	111.2	L149 A153 L321 L322 L323 T328 Y329 L350 L351	L149-L325 HydrophobicContact CD2-CD2 3.47Å; L149-L325 VanDerWaalsContact CD2-CD2 3.47Å; A153-L325 HydrophobicContact CB-CD2 3.54Å; A153-L325 HydrophobicContact CB-CG 4.01Å; L321-L325 HydrophobicContact CD1-CG 4.27Å; L321-L325 HydrophobicContact CG-CD1 4.05Å; L321-L325 HydrophobicContact CG-CG 4.28Å; L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 VanDerWaalsContact O-CG 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.98Å; L322-L325 WeakPolarHBondContact O-CB 3.38Å; L322-L325 PolarHBondContact O-N 3.38Å; L323-L325 PolarHBondContact O-N 3.46Å; L325-T328 PolarHBondContact O-N 3.46Å; L325-Y329 WeakPolarHBondContact O-CB 3.5Å; L325-Y329 PolarHBondContact O-N 3.06Å; L325-L350 HydrophobicContact CD1-CD2 4.36Å; L325-L350 HydrophobicContact CD2-CD2 4.15Å; L325-L351 HydrophobicContact CD1-CD2 3.75Å; L325-L351 HydrophobicContact CD1-CG 4.08Å
326	I	82.7	Confident	75.1	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-52.8	175	-67	167	0	0	0	109.8	I286 L290 F293 L322 L323 T328 Y329 H330	I286-I326 HydrophobicContact CG2-CD1 4.42Å; L290-I326 HydrophobicContact CD2-CD1 4.21Å; L290-I326 HydrophobicContact CD2-CG1 4.32Å; L290-I326 HydrophobicContact CD2-CG2 3.77Å; L290-I326 HydrophobicContact CG-CD1 4.24Å; F293-I326 HydrophobicContact CG-CG2 4.37Å; L322-I326 HydrophobicContact CD1-CD1 4.03Å; L322-I326 HydrophobicContact CD1-CG1 4.36Å; L322-I326 HydrophobicContact CG-CD1 4.32Å; L322-I326 WeakPolarHBondContact O-CG1 3.4Å; L322-I326 PolarHBondContact O-N 2.82Å; L323-I326 PolarHBondContact O-N 3.39Å; I326-T328 VanDerWaalsContact C-N 3.29Å; I326-T328 PolarHBondContact O-N 2.98Å; I326-Y329 WeakPolarHBondContact O-CB 3.31Å; I326-Y329 PolarHBondContact O-N 3.46Å; I326-Y329 VanDerWaalsContact O-N 3.14Å; I326-H330 PolarHBondContact O-CD2 2.89Å; I326-H330 VanDerWaalsContact O-CD2 3.24Å; I326-H330 PolarHBondContact O-N 3.24Å
327	N	80	Confident	76.1	Confident	19 Å²	19	42.2 Å²	42.2	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-42.5	179.3	-67.7	-6.4	0	0	0	112	F293 L312 L323 Q324 H330 Y331	F293-N327 WeakPolarHBondContact CD2-OD1 3.33Å; F293-N327 WeakPolarHBondContact CE2-OD1 3.36Å; L312-N327 HydrophobicContact CD2-CB 3.75Å; L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 PolarHBondContact O-N 2.72Å; L323-N327 PolarHBondContact O-OD1 3.36Å; Q324-N327 PolarHBondContact O-N 2.84Å; N327-H330 PolarHBondContact O-N 2.99Å; N327-Y331 WeakPolarHBondContact O-CB 3.4Å; N327-Y331 PolarHBondContact O-N 3.33Å
328	T	80.9	Confident	76.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-41	178.4	-57.2	0	0	0	0	111.5	L149 L152 Q324 L325 I326 Y331 L332	L149-T328 HydrophobicContact CG-CG2 4.35Å; L152-T328 HydrophobicContact CB-CG2 3.85Å; L152-T328 HydrophobicContact CD2-CG2 3.58Å; L152-T328 HydrophobicContact CG-CG2 3.67Å; Q324-T328 VanDerWaalsContact O-CB 3.22Å; Q324-T328 WeakPolarHBondContact O-CB 3.47Å; Q324-T328 PolarHBondContact O-N 2.82Å; Q324-T328 PolarHBondContact O-OG1 3.13Å; L325-T328 PolarHBondContact O-N 3.46Å; I326-T328 VanDerWaalsContact C-N 3.29Å; I326-T328 PolarHBondContact O-N 2.98Å; T328-Y331 PolarHBondContact O-N 2.84Å; T328-L332 HydrophobicContact CG2-CD1 4.09Å; T328-L332 HydrophobicContact CG2-CG 4.45Å; T328-L332 WeakPolarHBondContact O-CB 3.35Å; T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 3.03Å
329	Y	80.7	Confident	77.3	Confident	51 Å²	51	37.7 Å²	37.7	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-46.5	174.8	167.2	-100	0	0	0	111.9	L149 L325 I326 K333 N339 L342	L149-Y329 HydrophobicContact CD1-CD2 4.45Å; L325-Y329 WeakPolarHBondContact O-CB 3.5Å; L325-Y329 PolarHBondContact O-N 3.06Å; I326-Y329 WeakPolarHBondContact O-CB 3.31Å; I326-Y329 PolarHBondContact O-N 3.46Å; I326-Y329 VanDerWaalsContact O-N 3.14Å; Y329-K333 WeakPolarHBondContact O-CB 3.36Å; Y329-K333 PolarHBondContact O-N 3.23Å; Y329-N339 HydrophobicContact CD2-CB 3.89Å; Y329-N339 HydrophobicContact CE2-CB 3.62Å; Y329-N339 WeakPolarHBondContact CE2-O 3.15Å; Y329-N339 PolarHBondContact O-ND2 3.26Å; Y329-L342 HydrophobicContact CD2-CB 4.02Å; Y329-L342 HydrophobicContact CD2-CD2 3.3Å; Y329-L342 HydrophobicContact CD2-CG 4.26Å; Y329-L342 HydrophobicContact CE2-CB 3.84Å; Y329-L342 HydrophobicContact CE2-CD2 3.92Å; Y329-L342 HydrophobicContact CE2-CG 4.45Å; Y329-L342 HydrophobicContact CG-CD2 3.89Å
330	H	76.4	Confident	77.3	Confident	37 Å²	37	46.3 Å²	46.3	17%	0.171	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-46.9	177.7	-82.9	-89.9	0	0	0	111.6	F293 I326 N327 L332 K333 E334	F293-H330 AromaticContact CD1-NE2 3.94Å; F293-H330 HydrophobicContact CE1-CB 4.19Å; F293-H330 AromaticContact CE1-CD2 3.6Å; F293-H330 AromaticContact CE1-CE1 3.62Å; F293-H330 AromaticContact CE1-CG 3.54Å; F293-H330 AromaticContact CE1-ND1 3.54Å; F293-H330 AromaticContact CE1-NE2 3.71Å; F293-H330 HydrophobicContact CZ-CB 3.91Å; F293-H330 AromaticContact CZ-CG 3.76Å; I326-H330 PolarHBondContact O-CD2 2.89Å; I326-H330 VanDerWaalsContact O-CD2 3.24Å; I326-H330 PolarHBondContact O-N 3.24Å; N327-H330 PolarHBondContact O-N 2.99Å; H330-L332 PolarHBondContact O-N 2.79Å; H330-K333 WeakPolarHBondContact O-CB 3.25Å; H330-K333 PolarHBondContact O-N 2.96Å; H330-K333 VanDerWaalsContact O-N 3.13Å; H330-E334 PolarHBondContact O-N 2.91Å
331	Y	75.9	Confident	77.1	Confident	35 Å²	35	47.5 Å²	47.5	14%	0.137	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-51.7	176	172.5	-105.4	0	0	0	112.6	L152 N308 L309 L312 N327 T328 K333 E334 E335	L152-Y331 HydrophobicContact CD2-CD1 4.33Å; N308-Y331 HydrophobicContact CB-CE2 4.25Å; L309-Y331 HydrophobicContact CD1-CE1 3.96Å; L309-Y331 HydrophobicContact CD1-CE2 4.2Å; L312-Y331 HydrophobicContact CD1-CD1 3.91Å; L312-Y331 HydrophobicContact CD1-CD2 3.93Å; L312-Y331 HydrophobicContact CD1-CG 3.6Å; N327-Y331 WeakPolarHBondContact O-CB 3.4Å; N327-Y331 PolarHBondContact O-N 3.33Å; T328-Y331 PolarHBondContact O-N 2.84Å; Y331-K333 PolarHBondContact O-N 3.49Å; Y331-E334 WeakPolarHBondContact O-CB 3.47Å; Y331-E334 PolarHBondContact O-N 3.36Å; Y331-E334 VanDerWaalsContact O-N 3.08Å; Y331-E335 HydrophobicContact CD2-CG 4.44Å; Y331-E335 HydrophobicContact CE1-CG 3.97Å; Y331-E335 HydrophobicContact CE2-CG 3.86Å; Y331-E335 WeakPolarHBondContact CE2-OE1 3.19Å; Y331-E335 WeakPolarHBondContact O-CG 3.37Å; Y331-E335 PolarHBondContact O-N 2.95Å; Y331-E335 PolarHBondContact OH-OE1 3.43Å
332	L	75.9	Confident	76.8	Confident	30 Å²	30	48.1 Å²	48.1	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-29.9	-180	-73.6	173.3	0	0	0	112.3	L149 L152 T328 H330 S337 N339	L149-L332 HydrophobicContact CB-CD1 4.33Å; L149-L332 HydrophobicContact CD1-CD1 4.29Å; L149-L332 HydrophobicContact CG-CD1 4.39Å; L152-L332 HydrophobicContact CD2-CD1 4.31Å; L152-L332 HydrophobicContact CD2-CD2 3.97Å; L152-L332 HydrophobicContact CD2-CG 4.1Å; T328-L332 HydrophobicContact CG2-CD1 4.09Å; T328-L332 HydrophobicContact CG2-CG 4.45Å; T328-L332 WeakPolarHBondContact O-CB 3.35Å; T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 3.03Å; H330-L332 PolarHBondContact O-N 2.79Å; L332-S337 VanDerWaalsContact O-CB 3.22Å; L332-S337 WeakPolarHBondContact O-CB 2.98Å; L332-S337 PolarHBondContact O-N 3.32Å; L332-N339 WeakPolarHBondContact CB-ND2 3.43Å
333	K	75.2	Confident	76.6	Confident	126 Å²	126	51.1 Å²	51.1	55%	0.548	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-38.3	173.6	-177	-176.6	176.9	-176.3	0	111.5	Y329 H330 Y331 G336 N339	Y329-K333 WeakPolarHBondContact O-CB 3.36Å; Y329-K333 PolarHBondContact O-N 3.23Å; H330-K333 WeakPolarHBondContact O-CB 3.25Å; H330-K333 PolarHBondContact O-N 2.96Å; H330-K333 VanDerWaalsContact O-N 3.13Å; Y331-K333 PolarHBondContact O-N 3.49Å; K333-G336 PolarHBondContact O-N 3.36Å; K333-N339 PolarHBondContact N-ND2 3.16Å
334	E	73.7	Confident	76.8	Confident	119 Å²	119	52.1 Å²	52.1	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-67.9	-37.4	175.1	-69	-179.1	172.7	0	0	112.6	N308 H330 Y331 G336	N308-E334 PolarHBondContact ND2-OE2 3.47Å; H330-E334 PolarHBondContact O-N 2.91Å; Y331-E334 WeakPolarHBondContact O-CB 3.47Å; Y331-E334 PolarHBondContact O-N 3.36Å; Y331-E334 VanDerWaalsContact O-N 3.08Å; E334-G336 PolarHBondContact O-N 2.95Å; E334-G336 VanDerWaalsContact O-N 3.09Å
335	E	72.9	Confident	77	Confident	112 Å²	112	54 Å²	54	52%	0.523	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.4	174.9	-67.1	-71.7	170.2	0	0	113.4	Y331 S337	Y331-E335 HydrophobicContact CD2-CG 4.44Å; Y331-E335 HydrophobicContact CE1-CG 3.97Å; Y331-E335 HydrophobicContact CE2-CG 3.86Å; Y331-E335 WeakPolarHBondContact CE2-OE1 3.19Å; Y331-E335 WeakPolarHBondContact O-CG 3.37Å; Y331-E335 PolarHBondContact O-N 2.95Å; Y331-E335 PolarHBondContact OH-OE1 3.43Å; E335-S337 VanDerWaalsContact C-N 3.34Å; E335-S337 PolarHBondContact O-N 3.05Å
336	G	65.4	Low	77.2	Confident	65 Å²	65	54.9 Å²	54.9	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	14.8	178.3	0	0	0	0	0	114.6	K333 E334	K333-G336 PolarHBondContact O-N 3.36Å; E334-G336 PolarHBondContact O-N 2.95Å; E334-G336 VanDerWaalsContact O-N 3.09Å
337	S	65.9	Low	77.5	Confident	53 Å²	53	55.3 Å²	55.3	37%	0.371	30%	0.297	S	S	.	.			trans	-71.4	134.8	170.7	-58.5	0	0	0	0	109.8	L332 E335 N339	L332-S337 VanDerWaalsContact O-CB 3.22Å; L332-S337 WeakPolarHBondContact O-CB 2.98Å; L332-S337 PolarHBondContact O-N 3.32Å; E335-S337 VanDerWaalsContact C-N 3.34Å; E335-S337 PolarHBondContact O-N 3.05Å; S337-N339 PolarHBondContact O-N 3.41Å
338	S	61	Low	78.1	Confident	86 Å²	86	54.4 Å²	54.4	60%	0.601	29%	0.292	S	S	*	.			trans	-74.2	72.5	-179.8	63.9	0	0	0	0	111.3	E340	S338-E340 PolarHBondContact O-N 2.91Å
339	N	66.7	Low	78.7	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.064	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-82.2	9.2	177	-64.2	-16.4	0	0	0	113.1	Y329 L332 K333 S337 F341 L342	Y329-N339 HydrophobicContact CD2-CB 3.89Å; Y329-N339 HydrophobicContact CE2-CB 3.62Å; Y329-N339 WeakPolarHBondContact CE2-O 3.15Å; Y329-N339 PolarHBondContact O-ND2 3.26Å; L332-N339 WeakPolarHBondContact CB-ND2 3.43Å; K333-N339 PolarHBondContact N-ND2 3.16Å; S337-N339 PolarHBondContact O-N 3.41Å; N339-F341 PolarHBondContact O-N 2.94Å; N339-L342 PolarHBondContact O-N 3.45Å
340	E	70.6	Confident	79.3	Confident	184 Å²	184	52 Å²	52	86%	0.86	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18.9	-178.8	-63.4	-171.9	163.8	0	0	112.9	S338 L342	S338-E340 PolarHBondContact O-N 2.91Å; E340-L342 VanDerWaalsContact C-N 3.35Å
341	F	79.2	Confident	80.1	Confident	26 Å²	26	50.2 Å²	50.2	11%	0.114	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-71.1	-26.9	174.9	80.4	-90.7	0	0	0	113.6	F142 E145 L146 N339 T343 H346	F142-F341 HydrophobicContact CB-CB 4.23Å; F142-F341 HydrophobicContact CB-CD1 3.78Å; F142-F341 HydrophobicContact CB-CD2 3.52Å; F142-F341 HydrophobicContact CB-CE1 3.97Å; F142-F341 HydrophobicContact CB-CE2 3.72Å; F142-F341 HydrophobicContact CB-CG 3.56Å; F142-F341 HydrophobicContact CB-CZ 3.95Å; F142-F341 HydrophobicContact CD1-CD1 4.34Å; F142-F341 HydrophobicContact CD1-CG 4.47Å; F142-F341 HydrophobicContact CD2-CB 3.29Å; F142-F341 HydrophobicContact CD2-CD1 4.3Å; F142-F341 HydrophobicContact CD2-CD2 4.08Å; F142-F341 AromaticContact CD2-CG 3.65Å; F142-F341 HydrophobicContact CD2-CG 3.65Å; F142-F341 HydrophobicContact CE2-CB 3.71Å; F142-F341 HydrophobicContact CE2-CG 4.47Å; F142-F341 HydrophobicContact CG-CB 3.8Å; F142-F341 AromaticContact CG-CD1 3.89Å; F142-F341 HydrophobicContact CG-CD1 3.89Å; F142-F341 HydrophobicContact CG-CD2 4.07Å; F142-F341 AromaticContact CG-CG 3.64Å; F142-F341 HydrophobicContact CG-CG 3.64Å; E145-F341 HydrophobicContact CB-CE1 3.56Å; E145-F341 HydrophobicContact CB-CZ 3.61Å; E145-F341 HydrophobicContact CG-CE1 4.36Å; L146-F341 HydrophobicContact CB-CE2 4.19Å; L146-F341 HydrophobicContact CB-CZ 4.4Å; N339-F341 PolarHBondContact O-N 2.94Å; F341-T343 PolarHBondContact O-N 3.34Å; F341-H346 PolarHBondContact O-CE1 2.96Å
342	L	83.1	Confident	81	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.068	27%	0.268	C	S	.	.			trans	-73.5	117.8	-173.2	-169.9	77.6	0	0	0	109.6	L146 L149 Y329 N339 E340 H346 I347	L146-L342 HydrophobicContact CD1-CD1 3.72Å; L149-L342 HydrophobicContact CD1-CD2 3.76Å; Y329-L342 HydrophobicContact CD2-CB 4.02Å; Y329-L342 HydrophobicContact CD2-CD2 3.3Å; Y329-L342 HydrophobicContact CD2-CG 4.26Å; Y329-L342 HydrophobicContact CE2-CB 3.84Å; Y329-L342 HydrophobicContact CE2-CD2 3.92Å; Y329-L342 HydrophobicContact CE2-CG 4.45Å; Y329-L342 HydrophobicContact CG-CD2 3.89Å; N339-L342 PolarHBondContact O-N 3.45Å; E340-L342 VanDerWaalsContact C-N 3.35Å; L342-H346 HydrophobicContact CD1-CB 3.61Å; L342-H346 HydrophobicContact CG-CB 4.46Å; L342-I347 HydrophobicContact CD1-CG1 4.47Å; L342-I347 HydrophobicContact CD2-CD1 4.1Å; L342-I347 HydrophobicContact CD2-CG1 4.08Å; L342-I347 HydrophobicContact CG-CG1 4.32Å
343	T	85.9	Confident	81.8	Confident	64 Å²	64	47.1 Å²	47.1	39%	0.393	26%	0.261	S	S	.	.			trans	-109.5	161.9	175.2	69.9	0	0	0	0	110.7	F341 T345 H346 I347	F341-T343 PolarHBondContact O-N 3.34Å; T343-T345 PolarHBondContact O-N 3.44Å; T343-T345 VanDerWaalsContact O-N 3.11Å; T343-T345 WeakPolarHBondContact OG1-CB 3.14Å; T343-T345 PolarHBondContact OG1-N 2.98Å; T343-H346 PolarHBondContact N-ND1 3.44Å; T343-H346 VanDerWaalsContact N-ND1 3.19Å; T343-H346 WeakPolarHBondContact O-CB 3.21Å; T343-H346 PolarHBondContact O-N 3.16Å; T343-H346 PolarHBondContact OG1-ND1 3.04Å; T343-I347 PolarHBondContact O-N 3.39Å
344	L	87.3	Confident	82.7	Confident	54 Å²	54	41.2 Å²	41.2	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-52.6	-34.7	172.9	-63.2	176	0	0	0	111.9	Y283 I286 L290 H346 I347 I348	Y283-L344 HydrophobicContact CD2-CD1 4.24Å; Y283-L344 HydrophobicContact CE2-CD1 3.55Å; I286-L344 HydrophobicContact CG2-CD2 3.59Å; L290-L344 HydrophobicContact CD1-CD2 4.04Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 3.36Å; L344-I347 PolarHBondContact O-N 3.49Å; L344-I348 WeakPolarHBondContact O-CD1 3.18Å; L344-I348 VanDerWaalsContact O-CG1 3.26Å; L344-I348 WeakPolarHBondContact O-CG1 3.12Å; L344-I348 PolarHBondContact O-N 2.99Å
345	T	90.3	Very high	83.8	Confident	42 Å²	42	35.5 Å²	35.5	26%	0.258	21%	0.208	S	C	.	.	H	α-helix	trans	-59.3	-40.5	174.8	-54.8	0	0	0	0	112.7	C131 T343 H349	C131-T345 HydrophobicContact CB-CG2 4.41Å; T343-T345 PolarHBondContact O-N 3.44Å; T343-T345 VanDerWaalsContact O-N 3.11Å; T343-T345 WeakPolarHBondContact OG1-CB 3.14Å; T343-T345 PolarHBondContact OG1-N 2.98Å; T345-H349 WeakPolarHBondContact CG2-CE1 3.21Å; T345-H349 WeakPolarHBondContact CG2-ND1 3.35Å; T345-H349 WeakPolarHBondContact O-CB 3.2Å; T345-H349 PolarHBondContact O-N 2.71Å; T345-H349 PolarHBondContact O-ND1 3.41Å
346	H	90.6	Very high	84.7	Confident	22 Å²	22	30.2 Å²	30.2	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-46.4	176	-67.9	88.4	0	0	0	110.7	C131 F341 L342 T343 L344 I348 H349 L350	C131-H346 PolarHBondContact O-CD2 2.96Å; F341-H346 PolarHBondContact O-CE1 2.96Å; L342-H346 HydrophobicContact CD1-CB 3.61Å; L342-H346 HydrophobicContact CG-CB 4.46Å; T343-H346 PolarHBondContact N-ND1 3.44Å; T343-H346 VanDerWaalsContact N-ND1 3.19Å; T343-H346 WeakPolarHBondContact O-CB 3.21Å; T343-H346 PolarHBondContact O-N 3.16Å; T343-H346 PolarHBondContact OG1-ND1 3.04Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 3.36Å; H346-I348 PolarHBondContact O-N 3.26Å; H346-H349 PolarHBondContact O-N 3.34Å; H346-L350 WeakPolarHBondContact O-CB 3.25Å; H346-L350 PolarHBondContact O-N 3.06Å
347	I	89.7	Confident	86	Confident	11 Å²	11	27.1 Å²	27.1	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-46.7	179.5	-60.6	175.4	0	0	0	110.9	I286 L322 L342 T343 L344 L350 L351	I286-I347 HydrophobicContact CD1-CB 4.44Å; I286-I347 HydrophobicContact CD1-CG2 4.06Å; L322-I347 HydrophobicContact CD1-CG2 3.95Å; L342-I347 HydrophobicContact CD1-CG1 4.47Å; L342-I347 HydrophobicContact CD2-CD1 4.1Å; L342-I347 HydrophobicContact CD2-CG1 4.08Å; L342-I347 HydrophobicContact CG-CG1 4.32Å; T343-I347 PolarHBondContact O-N 3.39Å; L344-I347 PolarHBondContact O-N 3.49Å; I347-L350 PolarHBondContact O-N 2.85Å; I347-L351 HydrophobicContact CG2-CD1 3.84Å; I347-L351 HydrophobicContact CG2-CG 4.43Å; I347-L351 WeakPolarHBondContact O-CB 3.42Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.4Å; I347-L351 PolarHBondContact O-N 2.82Å
348	I	92.9	Very high	87.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-50.6	179.5	-68.2	164.1	0	0	0	111	F278 I282 Y283 I286 L344 H346 L351 G352	F278-I348 HydrophobicContact CB-CG2 3.9Å; I282-I348 HydrophobicContact CB-CG1 4.24Å; I282-I348 HydrophobicContact CB-CG2 4.33Å; I282-I348 HydrophobicContact CD1-CG2 4.25Å; I282-I348 HydrophobicContact CG2-CG1 4.01Å; Y283-I348 HydrophobicContact CD2-CD1 4.22Å; I286-I348 HydrophobicContact CD1-CD1 4.03Å; I286-I348 HydrophobicContact CD1-CG1 3.4Å; I286-I348 VanDerWaalsContact CD1-CG1 3.4Å; L344-I348 WeakPolarHBondContact O-CD1 3.18Å; L344-I348 VanDerWaalsContact O-CG1 3.26Å; L344-I348 WeakPolarHBondContact O-CG1 3.12Å; L344-I348 PolarHBondContact O-N 2.99Å; H346-I348 PolarHBondContact O-N 3.26Å; I348-L351 PolarHBondContact O-N 2.96Å; I348-G352 PolarHBondContact O-N 3.25Å
349	H	94	Very high	88.9	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-41.1	-177.8	-66.4	157.1	0	0	0	112	K129 W130 C131 H279 T345 H346 G352 E353	K129-H349 PolarHBondContact O-CE1 2.83Å; K129-H349 VanDerWaalsContact O-CE1 3.29Å; W130-H349 HydrophobicContact CD2-CB 4.04Å; W130-H349 AromaticContact CD2-CD2 3.87Å; W130-H349 AromaticContact CD2-CG 3.83Å; W130-H349 AromaticContact CE2-CG 3.98Å; W130-H349 AromaticContact CE3-CD2 3.46Å; W130-H349 VanDerWaalsContact CE3-CD2 3.46Å; W130-H349 AromaticContact CE3-CG 3.92Å; W130-H349 AromaticContact CE3-NE2 3.75Å; W130-H349 HydrophobicContact CH2-CB 4.35Å; W130-H349 AromaticContact CH2-CD2 3.77Å; W130-H349 HydrophobicContact CZ2-CB 3.86Å; W130-H349 WeakPolarHBondContact CZ2-O 3.2Å; W130-H349 AromaticContact CZ3-CD2 3.41Å; W130-H349 VanDerWaalsContact CZ3-CD2 3.41Å; W130-H349 WeakPolarHBondContact CZ3-CD2 3.36Å; W130-H349 AromaticContact CZ3-NE2 3.94Å; C131-H349 PolarHBondContact N-ND1 3.1Å; H279-H349 AromaticContact CD2-NE2 4Å; H279-H349 AromaticContact NE2-CE1 3.93Å; H279-H349 AromaticContact NE2-NE2 3.33Å; H279-H349 PolarHBondContact NE2-NE2 3.41Å; T345-H349 WeakPolarHBondContact CG2-CE1 3.21Å; T345-H349 WeakPolarHBondContact CG2-ND1 3.35Å; T345-H349 WeakPolarHBondContact O-CB 3.2Å; T345-H349 PolarHBondContact O-N 2.71Å; T345-H349 PolarHBondContact O-ND1 3.41Å; H346-H349 PolarHBondContact O-N 3.34Å; H349-G352 PolarHBondContact O-N 2.9Å; H349-E353 PolarHBondContact O-N 3.24Å
350	L	92.3	Very high	90.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-48.3	174.9	171.8	65.6	0	0	0	111.9	L133 L146 V150 L325 H346 I347 G352 E353 C354 C535	L133-L350 HydrophobicContact CD1-CD1 3.87Å; L133-L350 HydrophobicContact CG-CD1 4.19Å; L146-L350 HydrophobicContact CD1-CD2 4.14Å; V150-L350 HydrophobicContact CG2-CD1 3.46Å; V150-L350 VanDerWaalsContact CG2-CD1 3.46Å; V150-L350 HydrophobicContact CG2-CD2 3.24Å; V150-L350 HydrophobicContact CG2-CG 3.89Å; L325-L350 HydrophobicContact CD1-CD2 4.36Å; L325-L350 HydrophobicContact CD2-CD2 4.15Å; H346-L350 WeakPolarHBondContact O-CB 3.25Å; H346-L350 PolarHBondContact O-N 3.06Å; I347-L350 PolarHBondContact O-N 2.85Å; L350-G352 VanDerWaalsContact C-N 3.28Å; L350-G352 PolarHBondContact O-N 3.28Å; L350-E353 PolarHBondContact O-N 3.37Å; L350-E353 VanDerWaalsContact O-N 3.11Å; L350-C354 PolarHBondContact O-N 3.32Å; L350-C354 PolarHBondContact O-SG 3.12Å; L350-C354 VanDerWaalsContact O-SG 3.38Å; L350-C535 HydrophobicContact CD1-CB 3.8Å
351	L	94	Very high	91.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-38.7	176.8	-75.9	170.7	0	0	0	111.5	F205 I282 L321 L322 L325 I347 I348 E353 C354 C355	F205-L351 HydrophobicContact CE1-CB 4.38Å; F205-L351 HydrophobicContact CE1-CD1 3.96Å; F205-L351 HydrophobicContact CZ-CB 4.29Å; I282-L351 HydrophobicContact CD1-CB 4.48Å; I282-L351 HydrophobicContact CG2-CD1 4.25Å; L321-L351 HydrophobicContact CD2-CD2 4.05Å; L321-L351 HydrophobicContact CG-CD2 4.31Å; L322-L351 HydrophobicContact CB-CD1 4.23Å; L322-L351 HydrophobicContact CD1-CD1 3.83Å; L322-L351 HydrophobicContact CG-CD1 4.46Å; L325-L351 HydrophobicContact CD1-CD2 3.75Å; L325-L351 HydrophobicContact CD1-CG 4.08Å; I347-L351 HydrophobicContact CG2-CD1 3.84Å; I347-L351 HydrophobicContact CG2-CG 4.43Å; I347-L351 WeakPolarHBondContact O-CB 3.42Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.4Å; I347-L351 PolarHBondContact O-N 2.82Å; I348-L351 PolarHBondContact O-N 2.96Å; L351-E353 VanDerWaalsContact C-N 3.35Å; L351-E353 PolarHBondContact O-N 3.01Å; L351-C354 PolarHBondContact O-N 3.49Å; L351-C355 WeakPolarHBondContact O-CB 3.29Å; L351-C355 PolarHBondContact O-N 3.29Å; L351-C355 PolarHBondContact O-SG 2.65Å
352	G	94.2	Very high	91.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.9	-43.9	171.9	0	0	0	0	0	112.8	I236 I348 H349 L350 C355 L356	I236-G352 WeakPolarHBondContact CD1-O 3.42Å; I348-G352 PolarHBondContact O-N 3.25Å; H349-G352 PolarHBondContact O-N 2.9Å; L350-G352 VanDerWaalsContact C-N 3.28Å; L350-G352 PolarHBondContact O-N 3.28Å; G352-C355 PolarHBondContact O-N 2.95Å; G352-L356 WeakPolarHBondContact O-CB 3.42Å; G352-L356 PolarHBondContact O-N 3.09Å
353	E	93.5	Very high	92.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70.3	-38.8	175.9	-69.9	179.8	173.3	0	0	113.2	W130 G132 L133 M134 I135 H349 L350 L351 C355 L356 I357	W130-E353 HydrophobicContact CZ2-CG 4.17Å; W130-E353 PolarHBondContact NE1-OE1 2.94Å; G132-E353 WeakPolarHBondContact CA-OE1 3.45Å; L133-E353 WeakPolarHBondContact CA-OE2 3.27Å; L133-E353 PolarHBondContact N-OE2 2.88Å; M134-E353 HydrophobicContact CB-CG 4.32Å; M134-E353 WeakPolarHBondContact CB-OE2 2.94Å; M134-E353 PolarHBondContact N-OE1 3.48Å; M134-E353 VanDerWaalsContact N-OE1 3.07Å; M134-E353 PolarHBondContact N-OE2 3.16Å; I135-E353 HydrophobicContact CD1-CG 4.38Å; I135-E353 PolarHBondContact N-OE1 2.83Å; H349-E353 PolarHBondContact O-N 3.24Å; L350-E353 PolarHBondContact O-N 3.37Å; L350-E353 VanDerWaalsContact O-N 3.11Å; L351-E353 VanDerWaalsContact C-N 3.35Å; L351-E353 PolarHBondContact O-N 3.01Å; E353-C355 VanDerWaalsContact C-N 3.31Å; E353-C355 PolarHBondContact O-N 3.43Å; E353-L356 WeakPolarHBondContact O-CB 3.12Å; E353-L356 PolarHBondContact O-N 3.2Å; E353-I357 WeakPolarHBondContact O-CG1 3.37Å; E353-I357 PolarHBondContact O-N 3.32Å
354	C	94.4	Very high	92.4	Very high	1 Å²	1	13 Å²	13	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-59.1	-43.7	173.6	-70.8	0	0	0	0	111.1	F204 L350 L351 T358 C535 V536	F204-C354 HydrophobicContact CE2-CB 4.25Å; F204-C354 HydrophobicContact CZ-CB 4.36Å; L350-C354 PolarHBondContact O-N 3.32Å; L350-C354 PolarHBondContact O-SG 3.12Å; L350-C354 VanDerWaalsContact O-SG 3.38Å; L351-C354 PolarHBondContact O-N 3.49Å; C354-T358 WeakPolarHBondContact O-CB 3.39Å; C354-T358 PolarHBondContact O-N 2.91Å; C354-T358 PolarHBondContact O-OG1 3.18Å; C354-C535 VanDerWaalsContact SG-SG 3.6Å; C354-V536 HydrophobicContact CB-CG2 4.24Å
355	C	95.1	Very high	92.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-46.4	175.1	-68	0	0	0	0	111.6	Y200 F204 I236 L351 G352 E353 R359	Y200-C355 HydrophobicContact CD2-CB 4.4Å; Y200-C355 HydrophobicContact CE2-CB 3.85Å; Y200-C355 VanDerWaalsContact CE2-SG 3.56Å; F204-C355 VanDerWaalsContact CD2-SG 3.56Å; I236-C355 HydrophobicContact CD1-CB 3.4Å; I236-C355 VanDerWaalsContact CD1-CB 3.4Å; I236-C355 HydrophobicContact CG1-CB 3.9Å; L351-C355 WeakPolarHBondContact O-CB 3.29Å; L351-C355 PolarHBondContact O-N 3.29Å; L351-C355 PolarHBondContact O-SG 2.65Å; G352-C355 PolarHBondContact O-N 2.95Å; E353-C355 VanDerWaalsContact C-N 3.31Å; E353-C355 PolarHBondContact O-N 3.43Å; C355-R359 VanDerWaalsContact O-CB 3.22Å; C355-R359 WeakPolarHBondContact O-CB 3.05Å; C355-R359 PolarHBondContact O-N 2.86Å
356	L	93.5	Very high	92.9	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-58.7	-54.5	178.6	176	77.3	0	0	0	111.9	M134 I135 I236 L239 E240 G352 E353 R359 Y360	M134-L356 HydrophobicContact CE-CD2 3.33Å; I135-L356 HydrophobicContact CD1-CD2 4.47Å; I236-L356 HydrophobicContact CG2-CB 4.31Å; I236-L356 HydrophobicContact CG2-CD1 4.14Å; L239-L356 HydrophobicContact CD2-CD2 4.4Å; L239-L356 HydrophobicContact CG-CD2 4.49Å; E240-L356 HydrophobicContact CB-CD1 3.41Å; E240-L356 VanDerWaalsContact CB-CD1 3.41Å; E240-L356 HydrophobicContact CG-CD1 4.02Å; G352-L356 WeakPolarHBondContact O-CB 3.42Å; G352-L356 PolarHBondContact O-N 3.09Å; E353-L356 WeakPolarHBondContact O-CB 3.12Å; E353-L356 PolarHBondContact O-N 3.2Å; L356-R359 PolarHBondContact O-N 3.11Å; L356-Y360 WeakPolarHBondContact O-CB 3.4Å; L356-Y360 PolarHBondContact O-N 2.79Å
357	I	92.4	Very high	93	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-45	-177.1	-67.1	177.7	0	0	0	110.3	M134 E353 R359 Y360 I361 F443 T533 V534 V536	M134-I357 HydrophobicContact SD-CD1 3.84Å; M134-I357 HydrophobicContact SD-CG1 4.01Å; E353-I357 WeakPolarHBondContact O-CG1 3.37Å; E353-I357 PolarHBondContact O-N 3.32Å; I357-R359 PolarHBondContact O-N 3.22Å; I357-Y360 PolarHBondContact O-N 3.01Å; I357-I361 HydrophobicContact CG2-CD1 3.58Å; I357-I361 HydrophobicContact CG2-CG1 4.36Å; I357-I361 VanDerWaalsContact O-CG1 3.31Å; I357-I361 WeakPolarHBondContact O-CG1 3.45Å; I357-I361 PolarHBondContact O-N 2.68Å; I357-F443 HydrophobicContact CG1-CD2 4.22Å; I357-T533 HydrophobicContact CG2-CG2 3.86Å; I357-V534 HydrophobicContact CD1-CB 4.05Å; I357-V534 HydrophobicContact CD1-CG2 4.44Å; I357-V536 HydrophobicContact CB-CG2 4Å; I357-V536 HydrophobicContact CG2-CB 4.04Å; I357-V536 HydrophobicContact CG2-CG2 3.91Å
358	T	94	Very high	93.1	Very high	1 Å²	1	11 Å²	11	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-47.4	178.8	-59.4	0	0	0	0	111	F204 C354 Y360 I361 M362 F540 I541	F204-T358 HydrophobicContact CE2-CG2 4.45Å; F204-T358 HydrophobicContact CZ-CG2 4.25Å; F204-T358 WeakPolarHBondContact CZ-OG1 3.43Å; C354-T358 WeakPolarHBondContact O-CB 3.39Å; C354-T358 PolarHBondContact O-N 2.91Å; C354-T358 PolarHBondContact O-OG1 3.18Å; T358-Y360 PolarHBondContact O-N 3.39Å; T358-I361 PolarHBondContact O-N 2.72Å; T358-M362 HydrophobicContact CG2-CG 3.97Å; T358-M362 WeakPolarHBondContact O-CB 3.43Å; T358-M362 WeakPolarHBondContact O-CG 3.46Å; T358-M362 PolarHBondContact O-N 3.34Å; T358-F540 HydrophobicContact CG2-CE1 3.97Å; T358-I541 HydrophobicContact CG2-CD1 4.42Å
359	R	93.7	Very high	93.2	Very high	13 Å²	13	11 Å²	11	5%	0.049	5%	0.05	C	C	.	.	H	α-helix	trans	-60	-46.3	178.1	-168.7	-170	65.7	71	14.3	111.2	D193 I196 Y200 E240 C355 L356 I357 N363	D193-R359 WeakPolarHBondContact OD1-CD 3.4Å; D193-R359 IonicContact OD1-CZ 3.4Å; D193-R359 IonicContact OD1-NE 2.78Å; D193-R359 IonicContact OD1-NH1 3.05Å; D193-R359 PolarHBondContact OD1-NH1 3.43Å; I196-R359 HydrophobicContact CG2-CB 4.37Å; I196-R359 HydrophobicContact CG2-CG 4.04Å; Y200-R359 HydrophobicContact CE1-CB 3.96Å; Y200-R359 HydrophobicContact CE1-CG 4.27Å; E240-R359 IonicContact OE1-NH2 3.58Å; E240-R359 PolarHBondContact OE1-NH2 2.8Å; E240-R359 VanDerWaalsContact OE1-NH2 3.09Å; E240-R359 IonicContact OE2-CZ 2.78Å; E240-R359 IonicContact OE2-NH1 3.85Å; E240-R359 IonicContact OE2-NH2 3.16Å; E240-R359 PolarHBondContact OE2-NH2 2.73Å; C355-R359 VanDerWaalsContact O-CB 3.22Å; C355-R359 WeakPolarHBondContact O-CB 3.05Å; C355-R359 PolarHBondContact O-N 2.86Å; L356-R359 PolarHBondContact O-N 3.11Å; I357-R359 PolarHBondContact O-N 3.22Å; R359-N363 WeakPolarHBondContact O-CB 3.38Å; R359-N363 PolarHBondContact O-N 2.61Å
360	Y	90.4	Very high	93.3	Very high	32 Å²	32	11 Å²	11	13%	0.125	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-50.4	179.7	-178.8	-92.6	0	0	0	111.9	C67 L356 I357 T358 K364 W441 F443	C67-Y360 PolarHBondContact O-OH 3.24Å; L356-Y360 WeakPolarHBondContact O-CB 3.4Å; L356-Y360 PolarHBondContact O-N 2.79Å; I357-Y360 PolarHBondContact O-N 3.01Å; T358-Y360 PolarHBondContact O-N 3.39Å; Y360-K364 PolarHBondContact O-N 3.09Å; Y360-W441 WeakPolarHBondContact CE1-O 3.34Å; Y360-F443 HydrophobicContact CD1-CD2 4.21Å; Y360-F443 AromaticContact CD1-CE2 3.39Å; Y360-F443 HydrophobicContact CD1-CE2 3.39Å; Y360-F443 AromaticContact CD1-CZ 3.98Å; Y360-F443 HydrophobicContact CD1-CZ 3.98Å; Y360-F443 HydrophobicContact CD2-CE2 4.08Å; Y360-F443 AromaticContact CD2-CZ 3.96Å; Y360-F443 HydrophobicContact CD2-CZ 3.96Å; Y360-F443 AromaticContact CE1-CE2 3.86Å; Y360-F443 HydrophobicContact CE1-CE2 3.86Å; Y360-F443 HydrophobicContact CE1-CZ 4.13Å; Y360-F443 HydrophobicContact CE2-CE2 4.48Å; Y360-F443 HydrophobicContact CE2-CZ 4.12Å; Y360-F443 AromaticContact CG-CE2 3.52Å; Y360-F443 HydrophobicContact CG-CE2 3.52Å; Y360-F443 AromaticContact CG-CZ 3.9Å; Y360-F443 HydrophobicContact CG-CZ 3.9Å
361	I	92.4	Very high	93.4	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.015	5%	0.051	C	C	.	.	H	α-helix	trans	-67.8	-50	-177.7	-63.9	171	0	0	0	110.7	I357 T358 N363 K364 T365 P439 T533 I541	I357-I361 HydrophobicContact CG2-CD1 3.58Å; I357-I361 HydrophobicContact CG2-CG1 4.36Å; I357-I361 VanDerWaalsContact O-CG1 3.31Å; I357-I361 WeakPolarHBondContact O-CG1 3.45Å; I357-I361 PolarHBondContact O-N 2.68Å; T358-I361 PolarHBondContact O-N 2.72Å; I361-N363 VanDerWaalsContact C-N 3.3Å; I361-N363 PolarHBondContact O-N 2.81Å; I361-K364 PolarHBondContact O-N 2.91Å; I361-T365 HydrophobicContact CG2-CG2 4.09Å; I361-T365 WeakPolarHBondContact O-CG2 3.4Å; I361-T365 PolarHBondContact O-N 2.87Å; I361-T365 PolarHBondContact O-OG1 3.47Å; I361-P439 HydrophobicContact CG2-CB 4.37Å; I361-T533 HydrophobicContact CD1-CG2 3.43Å; I361-T533 VanDerWaalsContact CD1-CG2 3.43Å; I361-I541 HydrophobicContact CB-CD1 4.27Å; I361-I541 HydrophobicContact CD1-CD1 4.39Å; I361-I541 HydrophobicContact CD1-CG1 4.35Å; I361-I541 HydrophobicContact CG2-CD1 4.15Å; I361-I541 HydrophobicContact CG2-CG1 4.17Å; I361-I541 HydrophobicContact CG2-CG2 3.64Å
362	M	93.7	Very high	93.4	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-38.7	-178.6	-70.6	-64.9	-70.2	0	0	111.9	I196 T358 T365 L366 I541 M544 L545	I196-M362 HydrophobicContact CD1-CB 4.13Å; I196-M362 HydrophobicContact CG1-CB 4.39Å; I196-M362 HydrophobicContact CG2-CB 4.06Å; T358-M362 HydrophobicContact CG2-CG 3.97Å; T358-M362 WeakPolarHBondContact O-CB 3.43Å; T358-M362 WeakPolarHBondContact O-CG 3.46Å; T358-M362 PolarHBondContact O-N 3.34Å; M362-T365 PolarHBondContact O-OG1 2.78Å; M362-L366 HydrophobicContact CE-CD1 3.8Å; M362-L366 HydrophobicContact CE-CG 4.18Å; M362-L366 WeakPolarHBondContact O-CB 3.31Å; M362-L366 VanDerWaalsContact O-CG 3.31Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.48Å; M362-I541 HydrophobicContact SD-CG2 4.42Å; M362-M544 HydrophobicContact CE-CB 3.92Å; M362-M544 HydrophobicContact SD-CB 3.95Å; M362-L545 HydrophobicContact CE-CD2 3.87Å; M362-L545 HydrophobicContact CE-CG 4.42Å; M362-L545 HydrophobicContact SD-CD2 3.79Å; M362-L545 HydrophobicContact SD-CG 3.98Å
363	N	91.8	Very high	93.4	Very high	36 Å²	36	11.1 Å²	11.1	19%	0.193	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-47.4	178.6	-167.2	-49.9	0	0	0	110.7	I196 R359 I361 K367	I196-N363 VanDerWaalsContact CD1-CA 3.48Å; I196-N363 HydrophobicContact CD1-CB 3.83Å; R359-N363 WeakPolarHBondContact O-CB 3.38Å; R359-N363 PolarHBondContact O-N 2.61Å; I361-N363 VanDerWaalsContact C-N 3.3Å; I361-N363 PolarHBondContact O-N 2.81Å; N363-K367 WeakPolarHBondContact O-CB 3.32Å; N363-K367 PolarHBondContact O-N 3.13Å; N363-K367 VanDerWaalsContact O-N 3.08Å
364	K	90.1	Very high	93.5	Very high	54 Å²	54	11.4 Å²	11.4	24%	0.235	5%	0.053	C	C	.	.	H	α-helix	trans	-64.5	-47.5	179	-171.3	-179.4	-177.8	-174.7	0	112.5	Y360 I361 T368 C437	Y360-K364 PolarHBondContact O-N 3.09Å; I361-K364 PolarHBondContact O-N 2.91Å; K364-T368 WeakPolarHBondContact O-CB 3.41Å; K364-T368 PolarHBondContact O-N 3.16Å; K364-T368 VanDerWaalsContact O-N 3.12Å; K364-T368 PolarHBondContact O-OG1 2.9Å; K364-C437 HydrophobicContact CD-CB 4.32Å; K364-C437 WeakPolarHBondContact CE-O 3.08Å; K364-C437 HydrophobicContact CG-CB 4.45Å; K364-C437 PolarHBondContact NZ-O 2.96Å
365	T	93.8	Very high	93.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-74.1	-43.4	-175.2	54.1	0	0	0	0	112.2	I361 M362 T368 L369 L434 C437 L545	I361-T365 HydrophobicContact CG2-CG2 4.09Å; I361-T365 WeakPolarHBondContact O-CG2 3.4Å; I361-T365 PolarHBondContact O-N 2.87Å; I361-T365 PolarHBondContact O-OG1 3.47Å; M362-T365 PolarHBondContact O-OG1 2.78Å; T365-T368 WeakPolarHBondContact O-CB 3.39Å; T365-T368 PolarHBondContact O-N 3.31Å; T365-L369 WeakPolarHBondContact O-CB 3.17Å; T365-L369 WeakPolarHBondContact O-CG 3.32Å; T365-L369 PolarHBondContact O-N 3.41Å; T365-L434 HydrophobicContact CG2-CD2 4Å; T365-C437 HydrophobicContact CG2-CB 3.9Å; T365-L545 HydrophobicContact CG2-CD1 4.42Å; T365-L545 WeakPolarHBondContact OG1-CD2 3.44Å
366	L	94.3	Very high	93.4	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-65.4	-43.9	176.3	-72.7	174.3	0	0	0	111.5	L192 W195 I196 M362 T368 L369 L370 L545 T548	L192-L366 HydrophobicContact CD1-CD1 4.33Å; W195-L366 HydrophobicContact CE3-CD1 4.4Å; W195-L366 HydrophobicContact CH2-CD1 4.41Å; W195-L366 HydrophobicContact CZ3-CD1 3.6Å; I196-L366 HydrophobicContact CD1-CD1 4.25Å; I196-L366 HydrophobicContact CG1-CD1 4.14Å; M362-L366 HydrophobicContact CE-CD1 3.8Å; M362-L366 HydrophobicContact CE-CG 4.18Å; M362-L366 WeakPolarHBondContact O-CB 3.31Å; M362-L366 VanDerWaalsContact O-CG 3.31Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.48Å; L366-T368 VanDerWaalsContact C-N 3.25Å; L366-T368 PolarHBondContact O-N 2.87Å; L366-L369 PolarHBondContact O-N 3.36Å; L366-L370 WeakPolarHBondContact O-CB 3.37Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 3.46Å; L366-L545 HydrophobicContact CD2-CD2 3.58Å; L366-L545 HydrophobicContact CG-CD2 3.8Å; L366-T548 HydrophobicContact CD2-CG2 3.97Å
367	K	92.4	Very high	93.4	Very high	73 Å²	73	13 Å²	13	32%	0.317	6%	0.062	S	C	.	.	H	α-helix	trans	-56.8	-44.5	175.5	-176.9	177.9	178.3	179.6	0	111	L192 N363 T371	L192-K367 HydrophobicContact CD2-CB 4.41Å; N363-K367 WeakPolarHBondContact O-CB 3.32Å; N363-K367 PolarHBondContact O-N 3.13Å; N363-K367 VanDerWaalsContact O-N 3.08Å; K367-T371 WeakPolarHBondContact O-CB 3.25Å; K367-T371 PolarHBondContact O-N 2.77Å; K367-T371 PolarHBondContact O-OG1 2.79Å; K367-T371 VanDerWaalsContact O-OG1 3.13Å
368	T	93	Very high	93.4	Very high	10 Å²	10	16.7 Å²	16.7	6%	0.061	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-53.2	176.3	-62.8	0	0	0	0	111.8	K364 T365 L366 L370 T371 V372 T433 C437 F498 W577 L581	K364-T368 WeakPolarHBondContact O-CB 3.41Å; K364-T368 PolarHBondContact O-N 3.16Å; K364-T368 VanDerWaalsContact O-N 3.12Å; K364-T368 PolarHBondContact O-OG1 2.9Å; T365-T368 WeakPolarHBondContact O-CB 3.39Å; T365-T368 PolarHBondContact O-N 3.31Å; L366-T368 VanDerWaalsContact C-N 3.25Å; L366-T368 PolarHBondContact O-N 2.87Å; T368-L370 PolarHBondContact O-N 2.77Å; T368-T371 PolarHBondContact O-N 3.44Å; T368-V372 HydrophobicContact CG2-CG2 4.29Å; T368-V372 WeakPolarHBondContact O-CB 3.3Å; T368-V372 VanDerWaalsContact O-CG2 3.28Å; T368-V372 WeakPolarHBondContact O-CG2 3.39Å; T368-V372 PolarHBondContact O-N 2.72Å; T368-T433 HydrophobicContact CG2-CG2 3.6Å; T368-C437 PolarHBondContact OG1-SG 3.38Å; T368-F498 HydrophobicContact CG2-CE2 4.17Å; T368-W577 HydrophobicContact CG2-CH2 3.31Å; T368-W577 HydrophobicContact CG2-CZ2 4.45Å; T368-W577 HydrophobicContact CG2-CZ3 3.57Å; T368-L581 HydrophobicContact CG2-CD1 4.22Å
369	L	95.3	Very high	93.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.3	-51.4	179.7	-81.3	162.7	0	0	0	111.5	T365 L366 T371 V372 L373 L429 T433 L545 L549	T365-L369 WeakPolarHBondContact O-CB 3.17Å; T365-L369 WeakPolarHBondContact O-CG 3.32Å; T365-L369 PolarHBondContact O-N 3.41Å; L366-L369 PolarHBondContact O-N 3.36Å; L369-T371 PolarHBondContact O-N 3.45Å; L369-V372 PolarHBondContact O-N 2.82Å; L369-L373 WeakPolarHBondContact O-CB 3.42Å; L369-L373 VanDerWaalsContact O-CG 3.25Å; L369-L373 WeakPolarHBondContact O-CG 3.12Å; L369-L373 PolarHBondContact O-N 3.3Å; L369-L429 HydrophobicContact CD2-CD2 3.74Å; L369-L429 HydrophobicContact CD2-CG 3.72Å; L369-T433 HydrophobicContact CD2-CG2 4.38Å; L369-T433 WeakPolarHBondContact CD2-OG1 3.37Å; L369-T433 HydrophobicContact CG-CG2 3.89Å; L369-L545 HydrophobicContact CD1-CD2 3.98Å; L369-L549 HydrophobicContact CD1-CD1 4.03Å; L369-L549 HydrophobicContact CD1-CD2 4.4Å; L369-L549 HydrophobicContact CD1-CG 4.47Å; L369-L549 HydrophobicContact CD2-CD1 4.07Å
370	L	94.9	Very high	93.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-39.7	-177.6	-65.2	177.7	0	0	0	111.6	F188 L366 T368 A374 F553 S559 L586	F188-L370 HydrophobicContact CE1-CD1 4.31Å; F188-L370 HydrophobicContact CZ-CD1 3.7Å; L366-L370 WeakPolarHBondContact O-CB 3.37Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 3.46Å; T368-L370 PolarHBondContact O-N 2.77Å; L370-A374 WeakPolarHBondContact O-CB 3.42Å; L370-A374 PolarHBondContact O-N 3.4Å; L370-F553 HydrophobicContact CD2-CE2 4.28Å; L370-F553 HydrophobicContact CD2-CZ 4.04Å; L370-S559 VanDerWaalsContact O-CB 3.31Å; L370-S559 WeakPolarHBondContact O-CB 3.43Å; L370-S559 PolarHBondContact O-OG 3.04Å; L370-L586 HydrophobicContact CD1-CD1 3.88Å; L370-L586 HydrophobicContact CD1-CG 4.21Å; L370-L586 HydrophobicContact CD2-CD1 4.43Å; L370-L586 HydrophobicContact CD2-CD2 3.94Å; L370-L586 HydrophobicContact CD2-CG 4.45Å
371	T	94.2	Very high	93.6	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-43.9	174.5	-65.7	0	0	0	0	112	K367 T368 L369 L373 A374 I375 L581 P582	K367-T371 WeakPolarHBondContact O-CB 3.25Å; K367-T371 PolarHBondContact O-N 2.77Å; K367-T371 PolarHBondContact O-OG1 2.79Å; K367-T371 VanDerWaalsContact O-OG1 3.13Å; T368-T371 PolarHBondContact O-N 3.44Å; L369-T371 PolarHBondContact O-N 3.45Å; T371-L373 VanDerWaalsContact C-N 3.32Å; T371-L373 PolarHBondContact O-N 3.31Å; T371-A374 WeakPolarHBondContact O-CB 3.38Å; T371-A374 PolarHBondContact O-N 3.33Å; T371-A374 VanDerWaalsContact O-N 3.17Å; T371-I375 HydrophobicContact CG2-CD1 3.79Å; T371-I375 HydrophobicContact CG2-CG1 4.26Å; T371-I375 VanDerWaalsContact O-CG1 3.3Å; T371-I375 WeakPolarHBondContact O-CG1 3.41Å; T371-I375 PolarHBondContact O-N 2.62Å; T371-L581 HydrophobicContact CG2-CB 3.96Å; T371-L581 HydrophobicContact CG2-CD1 4.43Å; T371-P582 HydrophobicContact CG2-CG 3.82Å; T371-P582 VanDerWaalsContact CG2-O 3.23Å; T371-P582 WeakPolarHBondContact CG2-O 3.26Å; T371-P582 PolarHBondContact OG1-O 3.27Å
372	V	94.5	Very high	93.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-43.4	178.5	168.8	0	0	0	0	110.9	T368 L369 A374 I375 K376 W379 L429 F498 L575 W577	T368-V372 HydrophobicContact CG2-CG2 4.29Å; T368-V372 WeakPolarHBondContact O-CB 3.3Å; T368-V372 VanDerWaalsContact O-CG2 3.28Å; T368-V372 WeakPolarHBondContact O-CG2 3.39Å; T368-V372 PolarHBondContact O-N 2.72Å; L369-V372 PolarHBondContact O-N 2.82Å; V372-A374 VanDerWaalsContact C-N 3.32Å; V372-A374 PolarHBondContact O-N 3.26Å; V372-I375 PolarHBondContact O-N 2.98Å; V372-K376 WeakPolarHBondContact O-CB 3.46Å; V372-K376 PolarHBondContact O-N 3.3Å; V372-W379 HydrophobicContact CG1-CE3 3.74Å; V372-W379 HydrophobicContact CG1-CZ3 3.6Å; V372-L429 HydrophobicContact CG1-CD1 4.28Å; V372-F498 HydrophobicContact CB-CZ 4.49Å; V372-F498 HydrophobicContact CG1-CD1 4.22Å; V372-F498 HydrophobicContact CG1-CE1 3.88Å; V372-F498 HydrophobicContact CG1-CZ 4.05Å; V372-F498 HydrophobicContact CG2-CD2 4.06Å; V372-F498 HydrophobicContact CG2-CE2 3.87Å; V372-F498 HydrophobicContact CG2-CZ 4.18Å; V372-L575 HydrophobicContact CG1-CD2 4.44Å; V372-L575 HydrophobicContact CG2-CD2 4.01Å; V372-W577 HydrophobicContact CG2-CZ3 4.44Å
373	L	95.2	Very high	93.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-33.1	176	-70.7	177.7	0	0	0	112.9	L369 T371 K376 W379 Q380 V383 L429 F553 S559	L369-L373 WeakPolarHBondContact O-CB 3.42Å; L369-L373 VanDerWaalsContact O-CG 3.25Å; L369-L373 WeakPolarHBondContact O-CG 3.12Å; L369-L373 PolarHBondContact O-N 3.3Å; T371-L373 VanDerWaalsContact C-N 3.32Å; T371-L373 PolarHBondContact O-N 3.31Å; L373-K376 CarbonylContact O-C 3.58Å; L373-W379 HydrophobicContact CD2-CB 4.24Å; L373-Q380 HydrophobicContact CB-CB 4.2Å; L373-Q380 HydrophobicContact CD2-CB 4.1Å; L373-Q380 PolarHBondContact O-NE2 3.31Å; L373-V383 HydrophobicContact CD2-CG2 4.22Å; L373-L429 HydrophobicContact CD1-CD2 4.03Å; L373-L429 HydrophobicContact CD2-CD2 3.55Å; L373-L429 HydrophobicContact CG-CD2 3.89Å; L373-F553 HydrophobicContact CD1-CD2 4.29Å; L373-F553 HydrophobicContact CD1-CE1 4.38Å; L373-F553 HydrophobicContact CD1-CE2 3.43Å; L373-F553 VanDerWaalsContact CD1-CE2 3.43Å; L373-F553 HydrophobicContact CD1-CZ 3.48Å; L373-F553 VanDerWaalsContact CD1-CZ 3.48Å; L373-S559 VanDerWaalsContact CB-OG 3.3Å; L373-S559 WeakPolarHBondContact CB-OG 3.29Å
374	A	94.2	Very high	93.5	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-69.4	-36.9	172.5	0	0	0	0	0	112.7	L370 T371 V372 S559 L561 A584	L370-A374 WeakPolarHBondContact O-CB 3.42Å; L370-A374 PolarHBondContact O-N 3.4Å; T371-A374 WeakPolarHBondContact O-CB 3.38Å; T371-A374 PolarHBondContact O-N 3.33Å; T371-A374 VanDerWaalsContact O-N 3.17Å; V372-A374 VanDerWaalsContact C-N 3.32Å; V372-A374 PolarHBondContact O-N 3.26Å; A374-S559 PolarHBondContact N-OG 3.28Å; A374-L561 HydrophobicContact CB-CD2 3.96Å; A374-L561 HydrophobicContact CB-CG 4.04Å; A374-A584 HydrophobicContact CB-CB 3.86Å
375	I	94	Very high	93.5	Very high	18 Å²	18	24.8 Å²	24.8	9%	0.092	12%	0.118	C	C	.	.	H	α-helix	trans	-71.5	-37	175.8	-64.4	165.7	0	0	0	111	T371 V372 P377 L561 D569 L575 P582	T371-I375 HydrophobicContact CG2-CD1 3.79Å; T371-I375 HydrophobicContact CG2-CG1 4.26Å; T371-I375 VanDerWaalsContact O-CG1 3.3Å; T371-I375 WeakPolarHBondContact O-CG1 3.41Å; T371-I375 PolarHBondContact O-N 2.62Å; V372-I375 PolarHBondContact O-N 2.98Å; I375-P377 VanDerWaalsContact C-CD 3.46Å; I375-P377 WeakPolarHBondContact O-CD 3.39Å; I375-L561 HydrophobicContact CG1-CD1 4.31Å; I375-L561 HydrophobicContact CG1-CD2 3.96Å; I375-D569 PolarHBondContact O-N 3.48Å; I375-L575 HydrophobicContact CD1-CD2 4.05Å; I375-L575 HydrophobicContact CG2-CD1 3.8Å; I375-P582 HydrophobicContact CD1-CG 3.74Å; I375-P582 HydrophobicContact CG1-CG 4.05Å
376	K	94.6	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.			trans	-113.9	78	-175.5	-67.3	-72.1	-162.7	171.4	0	112	V372 L373 K378 W379 Q380 D569 T571 D573	V372-K376 WeakPolarHBondContact O-CB 3.46Å; V372-K376 PolarHBondContact O-N 3.3Å; L373-K376 CarbonylContact O-C 3.58Å; K376-K378 VanDerWaalsContact C-N 3.26Å; K376-K378 PolarHBondContact O-N 2.89Å; K376-K378 VanDerWaalsContact O-N 3.16Å; K376-W379 HydrophobicContact CB-CB 3.98Å; K376-W379 HydrophobicContact CB-CD2 3.65Å; K376-W379 HydrophobicContact CB-CE3 3.77Å; K376-W379 HydrophobicContact CB-CG 3.76Å; K376-W379 HydrophobicContact CB-CZ3 4.5Å; K376-W379 HydrophobicContact CD-CD2 4.45Å; K376-W379 HydrophobicContact CD-CZ2 4.45Å; K376-W379 HydrophobicContact CG-CD2 3.85Å; K376-W379 HydrophobicContact CG-CE3 3.77Å; K376-W379 HydrophobicContact CG-CG 4.43Å; K376-W379 HydrophobicContact CG-CH2 4.31Å; K376-W379 HydrophobicContact CG-CZ2 4.38Å; K376-W379 HydrophobicContact CG-CZ3 4.01Å; K376-W379 WeakPolarHBondContact O-CB 3.47Å; K376-W379 PolarHBondContact O-N 3.18Å; K376-Q380 PolarHBondContact O-N 2.99Å; K376-D569 HydrophobicContact CD-CB 4.11Å; K376-D569 WeakPolarHBondContact CE-OD2 3.39Å; K376-D569 IonicContact NZ-OD1 3.43Å; K376-D569 IonicContact NZ-OD2 3.94Å; K376-D569 PolarHBondContact NZ-OD2 2.75Å; K376-T571 PolarHBondContact NZ-O 3.29Å; K376-T571 PolarHBondContact NZ-OG1 3.12Å; K376-D573 VanDerWaalsContact CE-O 3.27Å; K376-D573 WeakPolarHBondContact CE-O 3.43Å; K376-D573 PolarHBondContact NZ-O 3.15Å
377	P	92.8	Very high	93.1	Very high	18 Å²	18	25.7 Å²	25.7	12%	0.117	12%	0.123	C	C	.	.	H	α-helix	trans	-53.8	-37.1	-179.1	-29.2	35.3	0	0	0	114.6	I375 W379 Q380 D381 P568 D569 Y570	I375-P377 VanDerWaalsContact C-CD 3.46Å; I375-P377 WeakPolarHBondContact O-CD 3.39Å; P377-W379 VanDerWaalsContact C-N 3.32Å; P377-W379 PolarHBondContact O-N 3.49Å; P377-Q380 WeakPolarHBondContact O-CB 3.38Å; P377-Q380 PolarHBondContact O-N 2.97Å; P377-Q380 VanDerWaalsContact O-N 3.16Å; P377-D381 PolarHBondContact O-N 3.29Å; P377-P568 HydrophobicContact CG-CB 3.59Å; P377-D569 WeakPolarHBondContact CD-O 3.42Å; P377-Y570 HydrophobicContact CB-CD1 4.01Å; P377-Y570 HydrophobicContact CB-CE1 3.69Å; P377-Y570 HydrophobicContact CG-CD1 4.15Å; P377-Y570 HydrophobicContact CG-CE1 3.71Å
378	K	92.8	Very high	92.8	Very high	78 Å²	78	26.9 Å²	26.9	34%	0.339	13%	0.128	S	C	.	.	H	α-helix	trans	-60.2	-39.9	175.7	-78	-166.7	175.8	167.5	0	113.2	K376 Q380 D381 N382 Y570 D572	K376-K378 VanDerWaalsContact C-N 3.26Å; K376-K378 PolarHBondContact O-N 2.89Å; K376-K378 VanDerWaalsContact O-N 3.16Å; K378-Q380 VanDerWaalsContact C-N 3.33Å; K378-D381 PolarHBondContact O-N 2.73Å; K378-N382 PolarHBondContact O-N 3.02Å; K378-Y570 WeakPolarHBondContact CD-O 3.42Å; K378-Y570 WeakPolarHBondContact CE-O 3.4Å; K378-Y570 PolarHBondContact NZ-O 3.3Å; K378-D572 VanDerWaalsContact CD-OD1 3.25Å; K378-D572 WeakPolarHBondContact CD-OD1 3.23Å; K378-D572 WeakPolarHBondContact CD-OD2 3.44Å; K378-D572 IonicContact NZ-OD2 2.82Å; K378-D572 PolarHBondContact NZ-OD2 3.32Å
379	W	94.5	Very high	92.4	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-67.5	-38.7	177	-65	0.5	0	0	0	110.9	V372 L373 K376 P377 D381 N382 V383 W425 L429 F498 P500 D573 L575	V372-W379 HydrophobicContact CG1-CE3 3.74Å; V372-W379 HydrophobicContact CG1-CZ3 3.6Å; L373-W379 HydrophobicContact CD2-CB 4.24Å; K376-W379 HydrophobicContact CB-CB 3.98Å; K376-W379 HydrophobicContact CB-CD2 3.65Å; K376-W379 HydrophobicContact CB-CE3 3.77Å; K376-W379 HydrophobicContact CB-CG 3.76Å; K376-W379 HydrophobicContact CB-CZ3 4.5Å; K376-W379 HydrophobicContact CD-CD2 4.45Å; K376-W379 HydrophobicContact CD-CZ2 4.45Å; K376-W379 HydrophobicContact CG-CD2 3.85Å; K376-W379 HydrophobicContact CG-CE3 3.77Å; K376-W379 HydrophobicContact CG-CG 4.43Å; K376-W379 HydrophobicContact CG-CH2 4.31Å; K376-W379 HydrophobicContact CG-CZ2 4.38Å; K376-W379 HydrophobicContact CG-CZ3 4.01Å; K376-W379 WeakPolarHBondContact O-CB 3.47Å; K376-W379 PolarHBondContact O-N 3.18Å; P377-W379 VanDerWaalsContact C-N 3.32Å; P377-W379 PolarHBondContact O-N 3.49Å; W379-D381 VanDerWaalsContact C-N 3.33Å; W379-D381 PolarHBondContact O-N 3.36Å; W379-N382 PolarHBondContact O-N 2.94Å; W379-V383 WeakPolarHBondContact O-CG2 3.47Å; W379-V383 PolarHBondContact O-N 2.95Å; W379-W425 HydrophobicContact CG-CZ2 4.47Å; W379-L429 HydrophobicContact CE3-CD1 4.05Å; W379-L429 HydrophobicContact CZ3-CD1 4.45Å; W379-F498 HydrophobicContact CH2-CD1 4.17Å; W379-F498 AromaticContact CZ3-CD1 3.79Å; W379-F498 HydrophobicContact CZ3-CD1 3.79Å; W379-F498 AromaticContact CZ3-CE1 3.95Å; W379-F498 HydrophobicContact CZ3-CE1 3.95Å; W379-P500 HydrophobicContact CE3-CG 4.39Å; W379-P500 HydrophobicContact CH2-CG 4.24Å; W379-P500 HydrophobicContact CZ3-CG 4.09Å; W379-D573 VanDerWaalsContact CZ2-O 3.22Å; W379-D573 WeakPolarHBondContact CZ2-O 3.31Å; W379-L575 HydrophobicContact CH2-CB 4.38Å
380	Q	94.3	Very high	91.8	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-40.1	172.7	178.5	174.1	-153	0	0	112	L373 K376 P377 K378 V383 R384 F553 E558 S559	L373-Q380 HydrophobicContact CB-CB 4.2Å; L373-Q380 HydrophobicContact CD2-CB 4.1Å; L373-Q380 PolarHBondContact O-NE2 3.31Å; K376-Q380 PolarHBondContact O-N 2.99Å; P377-Q380 WeakPolarHBondContact O-CB 3.38Å; P377-Q380 PolarHBondContact O-N 2.97Å; P377-Q380 VanDerWaalsContact O-N 3.16Å; K378-Q380 VanDerWaalsContact C-N 3.33Å; Q380-V383 PolarHBondContact O-N 3.5Å; Q380-R384 WeakPolarHBondContact O-CB 3.47Å; Q380-R384 VanDerWaalsContact O-CG 3.29Å; Q380-R384 WeakPolarHBondContact O-CG 3.16Å; Q380-R384 PolarHBondContact O-N 3.32Å; Q380-R384 VanDerWaalsContact OE1-NH2 3.12Å; Q380-F553 HydrophobicContact CG-CD1 4.15Å; Q380-F553 HydrophobicContact CG-CE1 3.88Å; Q380-F553 VanDerWaalsContact OE1-CE1 3.24Å; Q380-E558 VanDerWaalsContact OE1-CA 3.31Å; Q380-S559 PolarHBondContact NE2-O 3.41Å; Q380-S559 VanDerWaalsContact NE2-O 3.15Å; Q380-S559 PolarHBondContact OE1-O 2.64Å; Q380-S559 PolarHBondContact OE1-OG 2.97Å; Q380-S559 VanDerWaalsContact OE1-OG 3.09Å
381	D	92.2	Very high	91	Very high	83 Å²	83	31.3 Å²	31.3	44%	0.444	15%	0.148	S	C	.	.	H	α-helix	trans	-67.4	-38	175.9	-67.9	-23.5	0	0	0	112.4	P377 K378 W379 R384 K385	P377-D381 PolarHBondContact O-N 3.29Å; K378-D381 PolarHBondContact O-N 2.73Å; W379-D381 VanDerWaalsContact C-N 3.33Å; W379-D381 PolarHBondContact O-N 3.36Å; D381-R384 PolarHBondContact O-N 3.03Å; D381-R384 IonicContact OD1-NH1 3.91Å; D381-R384 PolarHBondContact OD1-NH1 3.39Å; D381-R384 VanDerWaalsContact OD1-NH1 3.08Å; D381-K385 WeakPolarHBondContact O-CB 3.42Å; D381-K385 PolarHBondContact O-N 3.06Å
382	N	91.7	Very high	90.1	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	17%	0.173	S	C	.	.	H	α-helix	trans	-61	-47.4	172.1	-70.8	-19.6	0	0	0	111.4	K378 W379 K385 E386 W425	K378-N382 PolarHBondContact O-N 3.02Å; W379-N382 PolarHBondContact O-N 2.94Å; N382-K385 PolarHBondContact O-N 3.2Å; N382-E386 PolarHBondContact O-N 3.15Å; N382-W425 HydrophobicContact CB-CG 4.1Å
383	V	92.9	Very high	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-49.5	175.7	171.2	0	0	0	0	110.4	L373 W379 Q380 K385 E386 C387 T426 L429 F553	L373-V383 HydrophobicContact CD2-CG2 4.22Å; W379-V383 WeakPolarHBondContact O-CG2 3.47Å; W379-V383 PolarHBondContact O-N 2.95Å; Q380-V383 PolarHBondContact O-N 3.5Å; V383-K385 VanDerWaalsContact C-N 3.28Å; V383-K385 PolarHBondContact O-N 2.95Å; V383-E386 PolarHBondContact O-N 3.31Å; V383-C387 VanDerWaalsContact O-CB 3.31Å; V383-C387 WeakPolarHBondContact O-CB 3.22Å; V383-C387 PolarHBondContact O-N 2.78Å; V383-C387 PolarHBondContact O-SG 3.21Å; V383-T426 HydrophobicContact CG1-CG2 4.21Å; V383-L429 HydrophobicContact CG2-CD2 4.1Å; V383-F553 HydrophobicContact CG1-CB 3.89Å; V383-F553 HydrophobicContact CG1-CD2 3.86Å; V383-F553 HydrophobicContact CG1-CG 3.96Å
384	R	91.8	Very high	87.7	Confident	34 Å²	34	40.1 Å²	40.1	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-42.8	176.9	-75.4	171.5	175	152	-4.5	112.4	Q380 D381 K388 F553 W557 E558	Q380-R384 WeakPolarHBondContact O-CB 3.47Å; Q380-R384 VanDerWaalsContact O-CG 3.29Å; Q380-R384 WeakPolarHBondContact O-CG 3.16Å; Q380-R384 PolarHBondContact O-N 3.32Å; Q380-R384 VanDerWaalsContact OE1-NH2 3.12Å; D381-R384 PolarHBondContact O-N 3.03Å; D381-R384 IonicContact OD1-NH1 3.91Å; D381-R384 PolarHBondContact OD1-NH1 3.39Å; D381-R384 VanDerWaalsContact OD1-NH1 3.08Å; R384-K388 WeakPolarHBondContact O-CB 3.09Å; R384-K388 VanDerWaalsContact O-CG 3.26Å; R384-K388 WeakPolarHBondContact O-CG 3.29Å; R384-K388 PolarHBondContact O-N 3.17Å; R384-F553 HydrophobicContact CG-CB 3.9Å; R384-F553 HydrophobicContact CG-CD1 4.04Å; R384-F553 HydrophobicContact CG-CG 4.41Å; R384-W557 PolarHBondContact NE-O 3.39Å; R384-W557 PolarHBondContact NH2-O 3.4Å; R384-E558 IonicContact CZ-OE1 3.08Å; R384-E558 IonicContact NH1-OE1 3.65Å; R384-E558 PolarHBondContact NH1-OE1 2.98Å; R384-E558 VanDerWaalsContact NH1-OE1 3.17Å; R384-E558 IonicContact NH2-OE1 3.17Å; R384-E558 PolarHBondContact NH2-OE1 3.38Å
385	K	90.8	Very high	86.2	Confident	131 Å²	131	46 Å²	46	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-62.7	-49.6	178.7	-176.2	-177.3	175.6	-173.9	0	111.2	D381 N382 V383 K388 Q389	D381-K385 WeakPolarHBondContact O-CB 3.42Å; D381-K385 PolarHBondContact O-N 3.06Å; N382-K385 PolarHBondContact O-N 3.2Å; V383-K385 VanDerWaalsContact C-N 3.28Å; V383-K385 PolarHBondContact O-N 2.95Å; K385-K388 PolarHBondContact O-N 3.35Å; K385-Q389 WeakPolarHBondContact O-CB 3.43Å; K385-Q389 VanDerWaalsContact O-CG 3.28Å; K385-Q389 WeakPolarHBondContact O-CG 2.96Å; K385-Q389 PolarHBondContact O-N 2.93Å
386	E	91.1	Very high	84.5	Confident	22 Å²	22	49.5 Å²	49.5	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-44.7	177.4	-71.4	-170.6	161.5	0	0	112	N382 V383 Q389 F390 C422 L423 V424 W425 T426	N382-E386 PolarHBondContact O-N 3.15Å; V383-E386 PolarHBondContact O-N 3.31Å; E386-Q389 PolarHBondContact O-N 3.45Å; E386-F390 WeakPolarHBondContact O-CB 3.35Å; E386-F390 PolarHBondContact O-N 3.11Å; E386-C422 WeakPolarHBondContact CG-O 3.43Å; E386-L423 HydrophobicContact CB-CD2 4.09Å; E386-L423 WeakPolarHBondContact OE2-CA 3.23Å; E386-V424 PolarHBondContact OE1-N 3.33Å; E386-V424 PolarHBondContact OE2-N 3.02Å; E386-W425 VanDerWaalsContact CD-CB 3.49Å; E386-W425 VanDerWaalsContact CD-N 3.33Å; E386-W425 WeakPolarHBondContact OE1-CB 3.38Å; E386-W425 PolarHBondContact OE1-N 3.4Å; E386-W425 WeakPolarHBondContact OE2-CB 2.95Å; E386-W425 PolarHBondContact OE2-N 2.92Å; E386-W425 VanDerWaalsContact OE2-N 3.1Å; E386-T426 WeakPolarHBondContact OE2-CB 3.12Å; E386-T426 PolarHBondContact OE2-N 3.04Å; E386-T426 PolarHBondContact OE2-OG1 3.09Å
387	C	89	Confident	82.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-41.9	-179.9	-64.3	0	0	0	0	112.1	V383 F390 L391 V550	V383-C387 VanDerWaalsContact O-CB 3.31Å; V383-C387 WeakPolarHBondContact O-CB 3.22Å; V383-C387 PolarHBondContact O-N 2.78Å; V383-C387 PolarHBondContact O-SG 3.21Å; C387-F390 PolarHBondContact O-N 3.39Å; C387-L391 WeakPolarHBondContact O-CG 3.42Å; C387-L391 PolarHBondContact O-N 2.78Å; C387-V550 VanDerWaalsContact SG-CA 3.58Å
388	K	85.6	Confident	80.8	Confident	97 Å²	97	55.1 Å²	55.1	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-48.6	174.1	-76.7	179.5	179.5	-175.1	0	111.4	R384 K385 F390 L391 E392	R384-K388 WeakPolarHBondContact O-CB 3.09Å; R384-K388 VanDerWaalsContact O-CG 3.26Å; R384-K388 WeakPolarHBondContact O-CG 3.29Å; R384-K388 PolarHBondContact O-N 3.17Å; K385-K388 PolarHBondContact O-N 3.35Å; K388-F390 VanDerWaalsContact C-N 3.29Å; K388-F390 PolarHBondContact O-N 2.93Å; K388-L391 PolarHBondContact O-N 2.7Å; K388-E392 WeakPolarHBondContact O-CB 3.34Å; K388-E392 WeakPolarHBondContact O-CG 3.31Å; K388-E392 PolarHBondContact O-N 3.38Å
389	Q	84.8	Confident	78.9	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-43.4	176.4	-74.2	177.5	-13.8	0	0	111.8	K385 E386 E392 V393	K385-Q389 WeakPolarHBondContact O-CB 3.43Å; K385-Q389 VanDerWaalsContact O-CG 3.28Å; K385-Q389 WeakPolarHBondContact O-CG 2.96Å; K385-Q389 PolarHBondContact O-N 2.93Å; E386-Q389 PolarHBondContact O-N 3.45Å; Q389-E392 PolarHBondContact O-N 2.86Å; Q389-V393 VanDerWaalsContact O-CG2 3.28Å; Q389-V393 WeakPolarHBondContact O-CG2 3.23Å; Q389-V393 PolarHBondContact O-N 2.98Å
390	F	83	Confident	76.5	Confident	1 Å²	1	62 Å²	62	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.6	177.8	-92.4	0	0	0	111.6	E386 C387 K388 E392 V393 Q394 M415 H419 T420 L423 V550	E386-F390 WeakPolarHBondContact O-CB 3.35Å; E386-F390 PolarHBondContact O-N 3.11Å; C387-F390 PolarHBondContact O-N 3.39Å; K388-F390 VanDerWaalsContact C-N 3.29Å; K388-F390 PolarHBondContact O-N 2.93Å; F390-E392 VanDerWaalsContact C-N 3.34Å; F390-E392 PolarHBondContact O-N 3.17Å; F390-V393 PolarHBondContact O-N 3.27Å; F390-Q394 HydrophobicContact CD1-CG 4.14Å; F390-Q394 HydrophobicContact CE1-CG 3.93Å; F390-Q394 VanDerWaalsContact CE1-NE2 3.35Å; F390-Q394 HydrophobicContact CZ-CG 4.25Å; F390-Q394 WeakPolarHBondContact O-CB 3.39Å; F390-Q394 WeakPolarHBondContact O-CG 3.41Å; F390-Q394 PolarHBondContact O-N 3.31Å; F390-M415 HydrophobicContact CE1-CB 4.37Å; F390-M415 HydrophobicContact CE1-CG 4.11Å; F390-M415 HydrophobicContact CE1-SD 3.61Å; F390-M415 HydrophobicContact CZ-SD 4.3Å; F390-H419 HydrophobicContact CD2-CB 4.3Å; F390-H419 WeakPolarHBondContact CD2-O 3.42Å; F390-H419 HydrophobicContact CE2-CB 4.06Å; F390-T420 HydrophobicContact CE2-CG2 3.84Å; F390-T420 HydrophobicContact CZ-CG2 4.29Å; F390-L423 HydrophobicContact CB-CD2 3.75Å; F390-L423 HydrophobicContact CB-CG 4.25Å; F390-L423 HydrophobicContact CD2-CD1 3.76Å; F390-L423 HydrophobicContact CD2-CD2 4.32Å; F390-L423 HydrophobicContact CD2-CG 3.9Å; F390-L423 HydrophobicContact CE2-CD1 3.96Å; F390-L423 HydrophobicContact CG-CD1 4.09Å; F390-L423 HydrophobicContact CG-CD2 4.09Å; F390-L423 HydrophobicContact CG-CG 4.17Å; F390-L423 HydrophobicContact CZ-CD1 4.44Å; F390-V550 HydrophobicContact CD1-CG1 3.62Å; F390-V550 HydrophobicContact CE1-CG1 3.86Å
391	L	76.4	Confident	74.4	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-33.9	179.5	-68.1	176	0	0	0	112.9	C387 K388 Q394 Y395 V550	C387-L391 WeakPolarHBondContact O-CG 3.42Å; C387-L391 PolarHBondContact O-N 2.78Å; K388-L391 PolarHBondContact O-N 2.7Å; L391-Q394 WeakPolarHBondContact O-CB 3.42Å; L391-Y395 WeakPolarHBondContact O-CB 3.33Å; L391-Y395 PolarHBondContact O-N 2.66Å; L391-V550 HydrophobicContact CD2-CG1 4.37Å
392	E	76.5	Confident	72	Confident	116 Å²	116	69.5 Å²	69.5	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-45.1	175.3	-74.3	170.9	-173.1	0	0	112.3	K388 Q389 F390 Q394 Y395 N396	K388-E392 WeakPolarHBondContact O-CB 3.34Å; K388-E392 WeakPolarHBondContact O-CG 3.31Å; K388-E392 PolarHBondContact O-N 3.38Å; Q389-E392 PolarHBondContact O-N 2.86Å; F390-E392 VanDerWaalsContact C-N 3.34Å; F390-E392 PolarHBondContact O-N 3.17Å; E392-Q394 VanDerWaalsContact C-N 3.32Å; E392-Q394 PolarHBondContact O-N 3Å; E392-Y395 WeakPolarHBondContact O-CB 3.25Å; E392-Y395 PolarHBondContact O-N 2.58Å; E392-N396 PolarHBondContact O-N 2.83Å; E392-N396 PolarHBondContact O-ND2 3.01Å
393	V	73.8	Confident	69.2	Low	68 Å²	68	73.2 Å²	73.2	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.3	170.3	0	0	0	0	110.7	Q389 F390 Y395 N396 H397 H419	Q389-V393 VanDerWaalsContact O-CG2 3.28Å; Q389-V393 WeakPolarHBondContact O-CG2 3.23Å; Q389-V393 PolarHBondContact O-N 2.98Å; F390-V393 PolarHBondContact O-N 3.27Å; V393-Y395 VanDerWaalsContact C-N 3.32Å; V393-Y395 PolarHBondContact O-N 2.99Å; V393-N396 PolarHBondContact O-N 2.76Å; V393-H397 PolarHBondContact O-N 3.49Å; V393-H419 HydrophobicContact CG1-CB 4.4Å
394	Q	65.5	Low	66.2	Low	4 Å²	4	77.7 Å²	77.7	2%	0.019	39%	0.391	C	S	.	.	H	α-helix	trans	-56.3	-46	174	-68.5	-92.6	-3.4	0	0	112	F390 L391 E392 K398 C414 S416	F390-Q394 HydrophobicContact CD1-CG 4.14Å; F390-Q394 HydrophobicContact CE1-CG 3.93Å; F390-Q394 VanDerWaalsContact CE1-NE2 3.35Å; F390-Q394 HydrophobicContact CZ-CG 4.25Å; F390-Q394 WeakPolarHBondContact O-CB 3.39Å; F390-Q394 WeakPolarHBondContact O-CG 3.41Å; F390-Q394 PolarHBondContact O-N 3.31Å; L391-Q394 WeakPolarHBondContact O-CB 3.42Å; E392-Q394 VanDerWaalsContact C-N 3.32Å; E392-Q394 PolarHBondContact O-N 3Å; Q394-K398 WeakPolarHBondContact O-CG 3.34Å; Q394-K398 PolarHBondContact O-N 3.03Å; Q394-C414 PolarHBondContact OE1-O 3.39Å; Q394-S416 VanDerWaalsContact CD-N 3.33Å; Q394-S416 PolarHBondContact NE2-O 3.46Å
395	Y	61.8	Low	63.2	Low	129 Å²	129	84.2 Å²	84.2	51%	0.506	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-46.3	-179.9	-175.9	-98	0	0	0	112	L391 E392 V393 H397 K398 T399 L413	L391-Y395 WeakPolarHBondContact O-CB 3.33Å; L391-Y395 PolarHBondContact O-N 2.66Å; E392-Y395 WeakPolarHBondContact O-CB 3.25Å; E392-Y395 PolarHBondContact O-N 2.58Å; V393-Y395 VanDerWaalsContact C-N 3.32Å; V393-Y395 PolarHBondContact O-N 2.99Å; Y395-H397 PolarHBondContact O-N 3.3Å; Y395-K398 PolarHBondContact O-N 3.1Å; Y395-T399 HydrophobicContact CD1-CG2 4.32Å; Y395-T399 HydrophobicContact CE1-CG2 3.86Å; Y395-T399 HydrophobicContact CE2-CG2 4.48Å; Y395-T399 PolarHBondContact O-N 3.29Å; Y395-T399 VanDerWaalsContact O-N 3.13Å; Y395-T399 PolarHBondContact O-OG1 3.47Å; Y395-L413 HydrophobicContact CD2-CD2 4.37Å
396	N	58.5	Low	60.1	Low	91 Å²	91	83.1 Å²	83.1	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-65.7	-38.4	-179.2	-70.6	-24.2	0	0	0	112.5	E392 V393 K398 T399 Q400	E392-N396 PolarHBondContact O-N 2.83Å; E392-N396 PolarHBondContact O-ND2 3.01Å; V393-N396 PolarHBondContact O-N 2.76Å; N396-K398 VanDerWaalsContact C-N 3.26Å; N396-K398 PolarHBondContact O-N 3.07Å; N396-T399 WeakPolarHBondContact CA-OG1 3.28Å; N396-T399 PolarHBondContact O-OG1 2.76Å; N396-T399 VanDerWaalsContact O-OG1 3.04Å; N396-Q400 PolarHBondContact O-N 3.35Å
397	H	56.5	Low	57	Low	71 Å²	71	87 Å²	87	33%	0.329	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-29.7	177.9	-171	-98.3	0	0	0	112.5	V393 Y395	V393-H397 PolarHBondContact O-N 3.49Å; Y395-H397 PolarHBondContact O-N 3.3Å
398	K	52.9	Low	54.1	Low	66 Å²	66	95.6 Å²	95.6	29%	0.287	50%	0.504	S	S	.	.	H	α-helix	trans	-81.4	-39.2	177.6	-65.1	-143.1	-148.2	89.5	0	114	Q394 Y395 N396 Q400 K401 S402 C414	Q394-K398 WeakPolarHBondContact O-CG 3.34Å; Q394-K398 PolarHBondContact O-N 3.03Å; Y395-K398 PolarHBondContact O-N 3.1Å; N396-K398 VanDerWaalsContact C-N 3.26Å; N396-K398 PolarHBondContact O-N 3.07Å; K398-Q400 PolarHBondContact O-N 2.85Å; K398-K401 CarbonylContact O-C 3.53Å; K398-K401 WeakPolarHBondContact O-CA 3.39Å; K398-K401 PolarHBondContact O-N 3.24Å; K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 3.35Å; K398-C414 HydrophobicContact CD-CB 4.32Å; K398-C414 WeakPolarHBondContact CE-O 3.36Å; K398-C414 PolarHBondContact NZ-O 2.92Å
399	T	53.2	Low	51.4	Low	63 Å²	63	95.7 Å²	95.7	39%	0.387	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-29.4	176.9	47.8	0	0	0	0	111.9	Y395 N396 K401	Y395-T399 HydrophobicContact CD1-CG2 4.32Å; Y395-T399 HydrophobicContact CE1-CG2 3.86Å; Y395-T399 HydrophobicContact CE2-CG2 4.48Å; Y395-T399 PolarHBondContact O-N 3.29Å; Y395-T399 VanDerWaalsContact O-N 3.13Å; Y395-T399 PolarHBondContact O-OG1 3.47Å; N396-T399 WeakPolarHBondContact CA-OG1 3.28Å; N396-T399 PolarHBondContact O-OG1 2.76Å; N396-T399 VanDerWaalsContact O-OG1 3.04Å; T399-K401 VanDerWaalsContact C-N 3.35Å
400	Q	45.3	Very low	48.7	Very low	160 Å²	160	99.7 Å²	99.7	75%	0.748	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.1	170.4	-72.3	-176.8	-6.2	0	0	114.2	N396 K398	N396-Q400 PolarHBondContact O-N 3.35Å; K398-Q400 PolarHBondContact O-N 2.85Å
401	K	49.1	Very low	46.1	Very low	165 Å²	165	102.9 Å²	102.9	72%	0.717	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-14.5	177.3	-76.2	-172.3	178.5	-175.2	0	114.1	K398 T399	K398-K401 CarbonylContact O-C 3.53Å; K398-K401 WeakPolarHBondContact O-CA 3.39Å; K398-K401 PolarHBondContact O-N 3.24Å; T399-K401 VanDerWaalsContact C-N 3.35Å
402	S	41.2	Very low	43.9	Very low	79 Å²	79	109.3 Å²	109.3	55%	0.552	59%	0.591	S	S	*	*			trans	-117.2	63.7	-176.1	78.8	0	0	0	0	113.7	K398 S404	K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 3.35Å; S402-S404 PolarHBondContact O-N 3.5Å
403	T	34.1	Very low	41.7	Very low	137 Å²	137	106.7 Å²	106.7	84%	0.84	58%	0.581	S	S	*	*			trans	-78.7	10	170.4	39.2	0	0	0	0	114.3
404	S	29.5	Very low	39.8	Very low	94 Å²	94	106.4 Å²	106.4	66%	0.657	58%	0.581	S	S	*	*	S	Bend	trans	-143.3	94.7	174.2	63.6	0	0	0	0	111.2	S402	S402-S404 PolarHBondContact O-N 3.5Å
405	L	29.3	Very low	38.4	Very low	170 Å²	170	106.7 Å²	106.7	89%	0.89	58%	0.582	S	S	*	*			trans	165.2	108.4	141.4	-91.2	144.1	0	0	0	110.5
406	C	25.8	Very low	37.3	Very low	109 Å²	109	101.9 Å²	101.9	74%	0.736	57%	0.568	S	S	*	*			trans	-4.5	121.4	162.3	-58.8	0	0	0	0	120.1	H408	C406-H408 PolarHBondContact O-N 2.88Å
407	S	25.9	Very low	36.9	Very low	104 Å²	104	99 Å²	99	73%	0.727	55%	0.552	S	S	*	*				33.9	79.2	127.5	66.3	0	0	0	0	118.7
408	H	27.9	Very low	36.4	Very low	179 Å²	179	102.5 Å²	102.5	83%	0.829	57%	0.569	S	S	*	*			trans	-144.6	146.9	146.7	-79.9	-55	0	0	0	110.3	C406 I410	C406-H408 PolarHBondContact O-N 2.88Å; H408-I410 PolarHBondContact O-N 3.49Å
409	S	28.4	Very low	36.6	Very low	100 Å²	100	101.8 Å²	101.8	70%	0.699	57%	0.566	S	S	*	*			trans	-56.7	122.9	-170.2	50.1	0	0	0	0	113.7	S411	S409-S411 VanDerWaalsContact C-N 3.28Å; S409-S411 PolarHBondContact O-N 3.26Å
410	I	28.2	Very low	37.3	Very low	168 Å²	168	100 Å²	100	86%	0.862	56%	0.555	S	S	*	*	S	Bend	trans	23.2	61.9	156.4	-45.1	175.7	0	0	0	113.7	H408	H408-I410 PolarHBondContact O-N 3.49Å
411	S	27.4	Very low	38.5	Very low	68 Å²	68	100.4 Å²	100.4	48%	0.476	56%	0.557	S	S	.	*			trans	-126.2	137.9	172.7	68.6	0	0	0	0	108.4	S409	S409-S411 VanDerWaalsContact C-N 3.28Å; S409-S411 PolarHBondContact O-N 3.26Å
412	H	31.9	Very low	39.9	Very low	154 Å²	154	94.4 Å²	94.4	71%	0.713	54%	0.536	S	S	*	.			trans	85.2	60.9	171.1	-32.8	-60	0	0	0	117.2	C414	H412-C414 PolarHBondContact O-N 3.16Å
413	L	30.4	Very low	42.1	Very low	61 Å²	61	90.7 Å²	90.7	32%	0.319	51%	0.51	S	S	.	.			trans	-68.5	77.6	152.4	-88.3	147.1	0	0	0	109.8	Y395 M415	Y395-L413 HydrophobicContact CD2-CD2 4.37Å; L413-M415 PolarHBondContact O-N 3.32Å
414	C	32.3	Very low	44.7	Very low	63 Å²	63	84.8 Å²	84.8	43%	0.426	47%	0.473	S	S	.	.			trans	-52.3	133.1	158.1	-108.4	0	0	0	0	108.2	Q394 K398 H412	Q394-C414 PolarHBondContact OE1-O 3.39Å; K398-C414 HydrophobicContact CD-CB 4.32Å; K398-C414 WeakPolarHBondContact CE-O 3.36Å; K398-C414 PolarHBondContact NZ-O 2.92Å; H412-C414 PolarHBondContact O-N 3.16Å
415	M	36	Very low	47.7	Very low	9 Å²	9	82.1 Å²	82.1	4%	0.044	45%	0.449	C	S	.	.			trans	-81.6	-179.4	165.1	-60	-166.3	-65.4	0	0	107.5	E163 F390 L413 T547 V550 H551	E163-M415 HydrophobicContact CB-CB 3.77Å; E163-M415 HydrophobicContact CB-CE 4Å; E163-M415 HydrophobicContact CB-CG 4.11Å; E163-M415 VanDerWaalsContact CD-CB 3.43Å; E163-M415 HydrophobicContact CG-CB 3.59Å; E163-M415 HydrophobicContact CG-CE 4.14Å; E163-M415 HydrophobicContact CG-CG 4.41Å; E163-M415 WeakPolarHBondContact OE2-CA 3.29Å; E163-M415 PolarHBondContact OE2-N 3.41Å; F390-M415 HydrophobicContact CE1-CB 4.37Å; F390-M415 HydrophobicContact CE1-CG 4.11Å; F390-M415 HydrophobicContact CE1-SD 3.61Å; F390-M415 HydrophobicContact CZ-SD 4.3Å; L413-M415 PolarHBondContact O-N 3.32Å; M415-T547 HydrophobicContact CE-CG2 3.16Å; M415-V550 HydrophobicContact SD-CG1 3.91Å; M415-H551 WeakPolarHBondContact CE-CE1 3.24Å; M415-H551 PolarHBondContact SD-CE1 2.98Å
416	S	38.8	Very low	50.7	Low	29 Å²	29	74 Å²	74	20%	0.203	41%	0.407	C	S	.	.			trans	-155.4	112.5	160.7	158	0	0	0	0	101.2	E163 Q394 E418 H419	E163-S416 WeakPolarHBondContact OE1-CA 3.3Å; E163-S416 PolarHBondContact OE1-N 3.27Å; E163-S416 VanDerWaalsContact OE1-N 3.09Å; Q394-S416 VanDerWaalsContact CD-N 3.33Å; Q394-S416 PolarHBondContact NE2-O 3.46Å; S416-E418 PolarHBondContact O-N 3.24Å; S416-E418 VanDerWaalsContact OG-CB 3.24Å; S416-E418 WeakPolarHBondContact OG-CB 3.49Å; S416-E418 WeakPolarHBondContact OG-CG 3.47Å; S416-E418 PolarHBondContact OG-N 3.48Å; S416-E418 PolarHBondContact OG-OE2 3.49Å; S416-H419 PolarHBondContact O-N 2.92Å
417	L	50.3	Low	53.8	Low	29 Å²	29	70.2 Å²	70.2	15%	0.152	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.8	-0.2	-179.3	-71.3	172.5	0	0	0	113.4	I159 H419 T420 L543	I159-L417 HydrophobicContact CG2-CB 4.16Å; I159-L417 HydrophobicContact CG2-CD1 3.55Å; I159-L417 HydrophobicContact CG2-CG 3.92Å; L417-H419 PolarHBondContact O-N 2.88Å; L417-T420 HydrophobicContact CB-CG2 3.9Å; L417-T420 HydrophobicContact CD2-CG2 3.48Å; L417-T420 VanDerWaalsContact CD2-CG2 3.48Å; L417-T420 HydrophobicContact CG-CG2 4.29Å; L417-T420 WeakPolarHBondContact O-CB 3.49Å; L417-T420 WeakPolarHBondContact O-CG2 3.36Å; L417-T420 PolarHBondContact O-N 3.19Å; L417-T420 PolarHBondContact O-OG1 3.38Å; L417-L543 HydrophobicContact CD1-CD2 3.61Å
418	E	47.6	Very low	57	Low	145 Å²	145	65.3 Å²	65.3	68%	0.678	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-55.2	-32.9	171.7	-66.3	167.2	166.7	0	0	112.7	S416 T420	S416-E418 PolarHBondContact O-N 3.24Å; S416-E418 VanDerWaalsContact OG-CB 3.24Å; S416-E418 WeakPolarHBondContact OG-CB 3.49Å; S416-E418 WeakPolarHBondContact OG-CG 3.47Å; S416-E418 PolarHBondContact OG-N 3.48Å; S416-E418 PolarHBondContact OG-OE2 3.49Å; E418-T420 PolarHBondContact O-N 3.24Å
419	H	55.8	Low	60.2	Low	51 Å²	51	56.8 Å²	56.8	24%	0.236	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-94.4	16.1	-175.3	-62	88.7	0	0	0	114.1	F390 V393 S416 L417 Q421 C422	F390-H419 HydrophobicContact CD2-CB 4.3Å; F390-H419 WeakPolarHBondContact CD2-O 3.42Å; F390-H419 HydrophobicContact CE2-CB 4.06Å; V393-H419 HydrophobicContact CG1-CB 4.4Å; S416-H419 PolarHBondContact O-N 2.92Å; L417-H419 PolarHBondContact O-N 2.88Å; H419-Q421 PolarHBondContact O-N 2.84Å; H419-C422 PolarHBondContact O-SG 3.3Å
420	T	68.2	Low	63.3	Low	25 Å²	25	52 Å²	52	15%	0.153	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-72.9	5	-173.5	62.4	0	0	0	0	114.1	F390 L417 E418 C422 L423 K427	F390-T420 HydrophobicContact CE2-CG2 3.84Å; F390-T420 HydrophobicContact CZ-CG2 4.29Å; L417-T420 HydrophobicContact CB-CG2 3.9Å; L417-T420 HydrophobicContact CD2-CG2 3.48Å; L417-T420 VanDerWaalsContact CD2-CG2 3.48Å; L417-T420 HydrophobicContact CG-CG2 4.29Å; L417-T420 WeakPolarHBondContact O-CB 3.49Å; L417-T420 WeakPolarHBondContact O-CG2 3.36Å; L417-T420 PolarHBondContact O-N 3.19Å; L417-T420 PolarHBondContact O-OG1 3.38Å; E418-T420 PolarHBondContact O-N 3.24Å; T420-C422 PolarHBondContact O-N 3.14Å; T420-L423 HydrophobicContact CG2-CD1 4.18Å; T420-L423 PolarHBondContact O-N 2.99Å; T420-K427 VanDerWaalsContact CB-CE 3.5Å; T420-K427 VanDerWaalsContact O-CE 3.31Å; T420-K427 WeakPolarHBondContact O-CE 3.36Å; T420-K427 PolarHBondContact O-NZ 3.35Å; T420-K427 PolarHBondContact OG1-NZ 2.93Å
421	Q	71	Confident	66.3	Low	169 Å²	169	44 Å²	44	79%	0.79	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-64.3	-26.5	173.4	-67.9	-179.1	-12.1	0	0	112.6	H419 L423 V424	H419-Q421 PolarHBondContact O-N 2.84Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-V424 VanDerWaalsContact O-CG2 3.28Å; Q421-V424 WeakPolarHBondContact O-CG2 3.18Å
422	C	78.3	Confident	69.5	Low	40 Å²	40	40.8 Å²	40.8	27%	0.27	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-83.1	-4.6	177.5	62.1	0	0	0	0	114.8	E386 H419 T420 V424	E386-C422 WeakPolarHBondContact CG-O 3.43Å; H419-C422 PolarHBondContact O-SG 3.3Å; T420-C422 PolarHBondContact O-N 3.14Å; C422-V424 VanDerWaalsContact C-N 3.35Å; C422-V424 PolarHBondContact O-N 3.49Å
423	L	87.4	Confident	72.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.			trans	-97	38.2	-176.4	-62.8	176.2	0	0	0	112.2	E386 F390 T420 Q421 K427 T546 V550	E386-L423 HydrophobicContact CB-CD2 4.09Å; E386-L423 WeakPolarHBondContact OE2-CA 3.23Å; F390-L423 HydrophobicContact CB-CD2 3.75Å; F390-L423 HydrophobicContact CB-CG 4.25Å; F390-L423 HydrophobicContact CD2-CD1 3.76Å; F390-L423 HydrophobicContact CD2-CD2 4.32Å; F390-L423 HydrophobicContact CD2-CG 3.9Å; F390-L423 HydrophobicContact CE2-CD1 3.96Å; F390-L423 HydrophobicContact CG-CD1 4.09Å; F390-L423 HydrophobicContact CG-CD2 4.09Å; F390-L423 HydrophobicContact CG-CG 4.17Å; F390-L423 HydrophobicContact CZ-CD1 4.44Å; T420-L423 HydrophobicContact CG2-CD1 4.18Å; T420-L423 PolarHBondContact O-N 2.99Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; L423-K427 HydrophobicContact CB-CD 4.41Å; L423-K427 HydrophobicContact CB-CG 4.23Å; L423-K427 VanDerWaalsContact O-CB 3.26Å; L423-K427 WeakPolarHBondContact O-CB 2.94Å; L423-K427 WeakPolarHBondContact O-CG 3.27Å; L423-K427 PolarHBondContact O-N 3.3Å; L423-T546 HydrophobicContact CD1-CG2 4.41Å; L423-V550 HydrophobicContact CD1-CG2 3.51Å; L423-V550 HydrophobicContact CD2-CG2 4.01Å; L423-V550 HydrophobicContact CG-CG2 4.42Å
424	V	89.3	Confident	75.3	Confident	13 Å²	13	30.8 Å²	30.8	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-52.3	-169.4	-179.5	0	0	0	0	111.2	E386 Q421 C422 K427 A428 I504 L516 L518	E386-V424 PolarHBondContact OE1-N 3.33Å; E386-V424 PolarHBondContact OE2-N 3.02Å; Q421-V424 VanDerWaalsContact O-CG2 3.28Å; Q421-V424 WeakPolarHBondContact O-CG2 3.18Å; C422-V424 VanDerWaalsContact C-N 3.35Å; C422-V424 PolarHBondContact O-N 3.49Å; V424-K427 PolarHBondContact O-N 3.2Å; V424-A428 WeakPolarHBondContact O-CB 3.26Å; V424-A428 PolarHBondContact O-N 3.28Å; V424-I504 HydrophobicContact CG1-CG1 4.26Å; V424-I504 HydrophobicContact CG1-CG2 4.26Å; V424-L516 HydrophobicContact CB-CB 4.34Å; V424-L516 HydrophobicContact CG1-CB 3.91Å; V424-L516 WeakPolarHBondContact CG2-O 3.49Å; V424-L518 HydrophobicContact CG1-CB 4.44Å
425	W	91	Very high	78.1	Confident	39 Å²	39	27.8 Å²	27.8	15%	0.148	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-43.1	179.6	-161.2	-97.5	0	0	0	111.6	W379 N382 E386 K427 A428 L429 I504	W379-W425 HydrophobicContact CG-CZ2 4.47Å; N382-W425 HydrophobicContact CB-CG 4.1Å; E386-W425 VanDerWaalsContact CD-CB 3.49Å; E386-W425 VanDerWaalsContact CD-N 3.33Å; E386-W425 WeakPolarHBondContact OE1-CB 3.38Å; E386-W425 PolarHBondContact OE1-N 3.4Å; E386-W425 WeakPolarHBondContact OE2-CB 2.95Å; E386-W425 PolarHBondContact OE2-N 2.92Å; E386-W425 VanDerWaalsContact OE2-N 3.1Å; W425-K427 PolarHBondContact O-N 2.82Å; W425-A428 PolarHBondContact O-N 3.46Å; W425-L429 WeakPolarHBondContact O-CB 3.17Å; W425-L429 PolarHBondContact O-N 2.92Å; W425-I504 HydrophobicContact CD2-CD1 4.01Å; W425-I504 HydrophobicContact CE3-CD1 3.13Å; W425-I504 HydrophobicContact CH2-CD1 4.29Å; W425-I504 HydrophobicContact CZ3-CD1 3.3Å
426	T	92.9	Very high	80.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-46	178.7	-54.5	0	0	0	0	111	V383 E386 L429 I430 L549	V383-T426 HydrophobicContact CG1-CG2 4.21Å; E386-T426 WeakPolarHBondContact OE2-CB 3.12Å; E386-T426 PolarHBondContact OE2-N 3.04Å; E386-T426 PolarHBondContact OE2-OG1 3.09Å; T426-L429 PolarHBondContact O-N 3.14Å; T426-I430 HydrophobicContact CG2-CD1 4.44Å; T426-I430 WeakPolarHBondContact O-CG1 3.41Å; T426-I430 PolarHBondContact O-N 3.27Å; T426-L549 HydrophobicContact CG2-CB 4.28Å; T426-L549 HydrophobicContact CG2-CD1 4.32Å
427	K	91.5	Very high	82.9	Confident	29 Å²	29	26.5 Å²	26.5	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-43.2	176.9	-71.7	176.1	170.7	177.3	0	111.6	T420 L423 V424 W425 L429 I430 Q431 L518 Y542	T420-K427 VanDerWaalsContact CB-CE 3.5Å; T420-K427 VanDerWaalsContact O-CE 3.31Å; T420-K427 WeakPolarHBondContact O-CE 3.36Å; T420-K427 PolarHBondContact O-NZ 3.35Å; T420-K427 PolarHBondContact OG1-NZ 2.93Å; L423-K427 HydrophobicContact CB-CD 4.41Å; L423-K427 HydrophobicContact CB-CG 4.23Å; L423-K427 VanDerWaalsContact O-CB 3.26Å; L423-K427 WeakPolarHBondContact O-CB 2.94Å; L423-K427 WeakPolarHBondContact O-CG 3.27Å; L423-K427 PolarHBondContact O-N 3.3Å; V424-K427 PolarHBondContact O-N 3.2Å; W425-K427 PolarHBondContact O-N 2.82Å; K427-L429 VanDerWaalsContact C-N 3.3Å; K427-L429 PolarHBondContact O-N 3.44Å; K427-I430 PolarHBondContact O-N 2.99Å; K427-Q431 WeakPolarHBondContact O-CG 3.43Å; K427-Q431 PolarHBondContact O-N 3.08Å; K427-L518 HydrophobicContact CB-CD1 4.01Å; K427-L518 HydrophobicContact CB-CD2 3.89Å; K427-L518 HydrophobicContact CD-CD2 3.98Å; K427-Y542 VanDerWaalsContact CD-OH 3.3Å; K427-Y542 WeakPolarHBondContact CD-OH 3.21Å; K427-Y542 WeakPolarHBondContact CG-OH 3.45Å
428	A	92	Very high	84.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-40.7	177.6	0	0	0	0	0	112.2	V424 W425 Q431 E432 P500 F503 I504 L518	V424-A428 WeakPolarHBondContact O-CB 3.26Å; V424-A428 PolarHBondContact O-N 3.28Å; W425-A428 PolarHBondContact O-N 3.46Å; A428-Q431 PolarHBondContact O-N 2.9Å; A428-E432 PolarHBondContact O-N 3.36Å; A428-P500 HydrophobicContact CB-CB 4.16Å; A428-P500 WeakPolarHBondContact CB-O 3.29Å; A428-F503 HydrophobicContact CB-CB 4.04Å; A428-I504 HydrophobicContact CB-CD1 3.66Å; A428-I504 HydrophobicContact CB-CG1 3.58Å; A428-L518 HydrophobicContact CB-CD1 3.97Å
429	L	94.7	Very high	86.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-43.5	175.1	-174.8	79	0	0	0	112.3	L369 V372 L373 W379 V383 W425 T426 K427 T433 F498 P500	L369-L429 HydrophobicContact CD2-CD2 3.74Å; L369-L429 HydrophobicContact CD2-CG 3.72Å; V372-L429 HydrophobicContact CG1-CD1 4.28Å; L373-L429 HydrophobicContact CD1-CD2 4.03Å; L373-L429 HydrophobicContact CD2-CD2 3.55Å; L373-L429 HydrophobicContact CG-CD2 3.89Å; W379-L429 HydrophobicContact CE3-CD1 4.05Å; W379-L429 HydrophobicContact CZ3-CD1 4.45Å; V383-L429 HydrophobicContact CG2-CD2 4.1Å; W425-L429 WeakPolarHBondContact O-CB 3.17Å; W425-L429 PolarHBondContact O-N 2.92Å; T426-L429 PolarHBondContact O-N 3.14Å; K427-L429 VanDerWaalsContact C-N 3.3Å; K427-L429 PolarHBondContact O-N 3.44Å; L429-T433 WeakPolarHBondContact O-CB 3.27Å; L429-T433 PolarHBondContact O-N 3.48Å; L429-T433 PolarHBondContact O-OG1 3.48Å; L429-F498 HydrophobicContact CD1-CE1 3.77Å; L429-F498 HydrophobicContact CD1-CZ 4.06Å; L429-P500 HydrophobicContact CD1-CG 3.8Å
430	I	94	Very high	87.1	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-45.2	175.4	-65.9	164.8	0	0	0	110.2	T426 K427 E432 T433 L434 Y542 L545 T546 L549	T426-I430 HydrophobicContact CG2-CD1 4.44Å; T426-I430 WeakPolarHBondContact O-CG1 3.41Å; T426-I430 PolarHBondContact O-N 3.27Å; K427-I430 PolarHBondContact O-N 2.99Å; I430-E432 PolarHBondContact O-N 3.37Å; I430-T433 PolarHBondContact O-N 3.24Å; I430-L434 HydrophobicContact CG2-CD1 3.88Å; I430-L434 HydrophobicContact CG2-CG 4.25Å; I430-L434 WeakPolarHBondContact O-CG 3.48Å; I430-L434 PolarHBondContact O-N 3.41Å; I430-Y542 HydrophobicContact CG2-CD2 3.76Å; I430-Y542 HydrophobicContact CG2-CE2 4.06Å; I430-L545 HydrophobicContact CD1-CB 4.44Å; I430-L545 HydrophobicContact CG2-CB 4.1Å; I430-L545 HydrophobicContact CG2-CD1 4.06Å; I430-T546 VanDerWaalsContact CD1-CA 3.49Å; I430-T546 HydrophobicContact CD1-CG2 4.46Å; I430-T546 WeakPolarHBondContact CD1-OG1 3.26Å; I430-L549 HydrophobicContact CD1-CD1 3.86Å; I430-L549 HydrophobicContact CG1-CD1 3.56Å
431	Q	92.2	Very high	87.9	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-45.1	-178.9	-66.9	-69.3	6.3	0	0	111.7	K427 A428 T433 L434 R435 F503 L520 Y542	K427-Q431 WeakPolarHBondContact O-CG 3.43Å; K427-Q431 PolarHBondContact O-N 3.08Å; A428-Q431 PolarHBondContact O-N 2.9Å; Q431-T433 VanDerWaalsContact C-N 3.33Å; Q431-T433 PolarHBondContact O-N 3.31Å; Q431-L434 PolarHBondContact O-N 2.85Å; Q431-R435 WeakPolarHBondContact O-CB 3.4Å; Q431-R435 PolarHBondContact O-N 2.85Å; Q431-F503 HydrophobicContact CB-CD1 4.33Å; Q431-F503 HydrophobicContact CB-CD2 3.78Å; Q431-F503 HydrophobicContact CB-CE1 4.32Å; Q431-F503 HydrophobicContact CB-CE2 3.8Å; Q431-F503 HydrophobicContact CB-CG 4.04Å; Q431-F503 HydrophobicContact CB-CZ 4.05Å; Q431-L520 HydrophobicContact CB-CD2 4.48Å; Q431-L520 HydrophobicContact CG-CD2 3.82Å; Q431-Y542 HydrophobicContact CG-CE2 4.37Å
432	E	92.9	Very high	88.5	Confident	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65	-38.1	176.4	-175.4	66.8	168.9	0	0	112.1	A428 I430 R435 L436 F498 D499 R502 F503	A428-E432 PolarHBondContact O-N 3.36Å; I430-E432 PolarHBondContact O-N 3.37Å; E432-R435 PolarHBondContact O-N 3.01Å; E432-R435 IonicContact OE1-CZ 2.71Å; E432-R435 IonicContact OE1-NE 3.47Å; E432-R435 IonicContact OE1-NH2 3.66Å; E432-R435 PolarHBondContact OE1-NH2 2.87Å; E432-R435 IonicContact OE2-CZ 3.98Å; E432-R435 IonicContact OE2-NE 3.86Å; E432-R435 PolarHBondContact OE2-NE 3.28Å; E432-R435 IonicContact OE2-NH2 3.36Å; E432-R435 PolarHBondContact OE2-NH2 3.04Å; E432-L436 HydrophobicContact CG-CD1 4.26Å; E432-L436 PolarHBondContact O-N 3.47Å; E432-L436 VanDerWaalsContact O-N 3.07Å; E432-F498 HydrophobicContact CB-CE1 4.17Å; E432-F498 HydrophobicContact CB-CZ 4.26Å; E432-F498 HydrophobicContact CG-CD1 3.79Å; E432-F498 HydrophobicContact CG-CD2 4.33Å; E432-F498 HydrophobicContact CG-CE1 3.8Å; E432-F498 HydrophobicContact CG-CE2 4.35Å; E432-F498 HydrophobicContact CG-CG 4.04Å; E432-F498 HydrophobicContact CG-CZ 4.08Å; E432-D499 PolarHBondContact OE1-N 3.27Å; E432-R502 IonicContact OE1-NH2 2.74Å; E432-F503 HydrophobicContact CB-CD2 4.33Å; E432-F503 HydrophobicContact CB-CE2 3.95Å; E432-F503 WeakPolarHBondContact OE2-CE2 3.44Å
433	T	93.9	Very high	88.7	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64	-44.8	174.4	-56.9	0	0	0	0	111.7	T368 L369 L429 I430 Q431 L436 C437 F498	T368-T433 HydrophobicContact CG2-CG2 3.6Å; L369-T433 HydrophobicContact CD2-CG2 4.38Å; L369-T433 WeakPolarHBondContact CD2-OG1 3.37Å; L369-T433 HydrophobicContact CG-CG2 3.89Å; L429-T433 WeakPolarHBondContact O-CB 3.27Å; L429-T433 PolarHBondContact O-N 3.48Å; L429-T433 PolarHBondContact O-OG1 3.48Å; I430-T433 PolarHBondContact O-N 3.24Å; Q431-T433 VanDerWaalsContact C-N 3.33Å; Q431-T433 PolarHBondContact O-N 3.31Å; T433-L436 PolarHBondContact O-N 2.93Å; T433-C437 WeakPolarHBondContact O-CB 3.28Å; T433-C437 PolarHBondContact O-N 2.78Å; T433-C437 PolarHBondContact O-SG 2.8Å; T433-F498 VanDerWaalsContact OG1-CZ 3.27Å; T433-F498 WeakPolarHBondContact OG1-CZ 3.05Å
434	L	91.3	Very high	88.3	Confident	5 Å²	5	5.5 Å²	5.5	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-61.5	-46.4	177	-72.3	173.6	0	0	0	110.6	T365 I430 Q431 L436 C437 V438 P439 W524 I541 Y542 L545	T365-L434 HydrophobicContact CG2-CD2 4Å; I430-L434 HydrophobicContact CG2-CD1 3.88Å; I430-L434 HydrophobicContact CG2-CG 4.25Å; I430-L434 WeakPolarHBondContact O-CG 3.48Å; I430-L434 PolarHBondContact O-N 3.41Å; Q431-L434 PolarHBondContact O-N 2.85Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 3.25Å; L434-C437 PolarHBondContact O-N 2.92Å; L434-V438 PolarHBondContact O-N 3.33Å; L434-P439 HydrophobicContact CD2-CB 4.29Å; L434-P439 HydrophobicContact CD2-CG 4.41Å; L434-P439 WeakPolarHBondContact O-CD 3.44Å; L434-W524 HydrophobicContact CB-CH2 4.2Å; L434-W524 HydrophobicContact CB-CZ2 3.94Å; L434-I541 HydrophobicContact CD2-CG2 4.06Å; L434-Y542 HydrophobicContact CD1-CD2 4.18Å; L434-L545 HydrophobicContact CD2-CD1 3.83Å; L434-L545 HydrophobicContact CG-CD1 4.28Å
435	R	90.5	Very high	88.2	Confident	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-53.5	-49.7	177.1	-172.9	-171.4	68.1	84.1	-5.5	111.8	Q431 E432 Y474 W480 P494 V497 W524	Q431-R435 WeakPolarHBondContact O-CB 3.4Å; Q431-R435 PolarHBondContact O-N 2.85Å; E432-R435 PolarHBondContact O-N 3.01Å; E432-R435 IonicContact OE1-CZ 2.71Å; E432-R435 IonicContact OE1-NE 3.47Å; E432-R435 IonicContact OE1-NH2 3.66Å; E432-R435 PolarHBondContact OE1-NH2 2.87Å; E432-R435 IonicContact OE2-CZ 3.98Å; E432-R435 IonicContact OE2-NE 3.86Å; E432-R435 PolarHBondContact OE2-NE 3.28Å; E432-R435 IonicContact OE2-NH2 3.36Å; E432-R435 PolarHBondContact OE2-NH2 3.04Å; R435-Y474 WeakPolarHBondContact CD-O 3.42Å; R435-Y474 WeakPolarHBondContact CG-O 3.49Å; R435-Y474 PolarHBondContact NH1-O 3.23Å; R435-Y474 WeakPolarHBondContact O-CB 3.08Å; R435-W480 VanDerWaalsContact CD-CZ2 3.47Å; R435-W480 VanDerWaalsContact CD-CZ3 3.47Å; R435-W480 HydrophobicContact CG-CH2 3.9Å; R435-W480 HydrophobicContact CG-CZ2 3.79Å; R435-W480 HydrophobicContact CG-CZ3 4.47Å; R435-P494 PolarHBondContact NH1-O 3.24Å; R435-P494 PolarHBondContact NH2-O 3Å; R435-P494 VanDerWaalsContact NH2-O 3.08Å; R435-V497 PolarHBondContact NH2-O 3.09Å; R435-W524 VanDerWaalsContact CA-CH2 3.49Å; R435-W524 HydrophobicContact CB-CH2 3.98Å; R435-W524 HydrophobicContact CB-CZ2 4.14Å; R435-W524 HydrophobicContact CB-CZ3 4.37Å
436	L	88.7	Confident	88	Confident	10 Å²	10	3.2 Å²	3.2	5%	0.052	2%	0.017	C	C	.	.	H	α-helix	trans	-77.3	-32.5	-177.7	-70.6	171.9	0	0	0	113.7	E432 T433 L434 V438 F498 W577	E432-L436 HydrophobicContact CG-CD1 4.26Å; E432-L436 PolarHBondContact O-N 3.47Å; E432-L436 VanDerWaalsContact O-N 3.07Å; T433-L436 PolarHBondContact O-N 2.93Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 3.25Å; L436-V438 VanDerWaalsContact C-N 3.32Å; L436-F498 HydrophobicContact CD1-CB 3.78Å; L436-F498 HydrophobicContact CD1-CD2 3.37Å; L436-F498 HydrophobicContact CD1-CE2 4.17Å; L436-F498 HydrophobicContact CD1-CG 3.82Å; L436-W577 HydrophobicContact CB-CZ2 4.25Å; L436-W577 HydrophobicContact CD1-CB 4.5Å; L436-W577 HydrophobicContact CD1-CD2 3.94Å; L436-W577 HydrophobicContact CD1-CE3 4.31Å; L436-W577 HydrophobicContact CD1-CG 4.01Å; L436-W577 HydrophobicContact CD2-CG 4.32Å
437	C	87.5	Confident	87.7	Confident	2 Å²	2	4.2 Å²	4.2	1%	0.014	2%	0.021	C	C	.	.	H	α-helix	trans	-76.8	-20.3	177.2	-73.3	0	0	0	0	112.9	K364 T365 T368 T433 L434	K364-C437 HydrophobicContact CD-CB 4.32Å; K364-C437 WeakPolarHBondContact CE-O 3.08Å; K364-C437 HydrophobicContact CG-CB 4.45Å; K364-C437 PolarHBondContact NZ-O 2.96Å; T365-C437 HydrophobicContact CG2-CB 3.9Å; T368-C437 PolarHBondContact OG1-SG 3.38Å; T433-C437 WeakPolarHBondContact O-CB 3.28Å; T433-C437 PolarHBondContact O-N 2.78Å; T433-C437 PolarHBondContact O-SG 2.8Å; L434-C437 PolarHBondContact O-N 2.92Å
438	V	86.8	Confident	87.5	Confident	6 Å²	6	4.9 Å²	4.9	4%	0.036	3%	0.025	C	C	.	.			trans	57	77.7	-178.9	-165.3	0	0	0	0	109.7	L434 L436 G440 W441 E470 P471 Y474	L434-V438 PolarHBondContact O-N 3.33Å; L436-V438 VanDerWaalsContact C-N 3.32Å; V438-G440 PolarHBondContact O-N 3.03Å; V438-W441 HydrophobicContact CB-CB 3.86Å; V438-W441 HydrophobicContact CG1-CB 3.66Å; V438-W441 HydrophobicContact CG1-CE3 4.44Å; V438-W441 HydrophobicContact CG1-CG 4.34Å; V438-W441 VanDerWaalsContact O-CB 3.28Å; V438-W441 WeakPolarHBondContact O-CB 3.46Å; V438-W441 PolarHBondContact O-N 3.21Å; V438-E470 HydrophobicContact CG1-CB 3.81Å; V438-P471 HydrophobicContact CG1-CG 3.99Å; V438-P471 HydrophobicContact CG2-CB 4.13Å; V438-P471 HydrophobicContact CG2-CG 4.13Å; V438-Y474 HydrophobicContact CB-CD2 4.08Å; V438-Y474 HydrophobicContact CB-CE2 4.21Å; V438-Y474 HydrophobicContact CG1-CD2 3.64Å; V438-Y474 HydrophobicContact CG1-CE2 3.47Å; V438-Y474 VanDerWaalsContact CG1-CE2 3.47Å; V438-Y474 HydrophobicContact CG2-CD2 3.98Å
439	P	79.6	Confident	87.4	Confident	5 Å²	5	5 Å²	5	3%	0.032	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	134.6	-174.2	23.2	-35.1	0	0	0	110.8	I361 L434 W441 Y538	I361-P439 HydrophobicContact CG2-CB 4.37Å; L434-P439 HydrophobicContact CD2-CB 4.29Å; L434-P439 HydrophobicContact CD2-CG 4.41Å; L434-P439 WeakPolarHBondContact O-CD 3.44Å; P439-W441 VanDerWaalsContact C-N 3.26Å; P439-W441 PolarHBondContact O-N 3.03Å; P439-Y538 HydrophobicContact CB-CD1 4.13Å; P439-Y538 HydrophobicContact CB-CE1 3.86Å; P439-Y538 HydrophobicContact CB-CE2 4.44Å; P439-Y538 HydrophobicContact CG-CD1 4.25Å; P439-Y538 HydrophobicContact CG-CD2 3.91Å; P439-Y538 HydrophobicContact CG-CE1 3.96Å; P439-Y538 HydrophobicContact CG-CE2 3.63Å; P439-Y538 HydrophobicContact CG-CG 4.23Å; P439-Y538 WeakPolarHBondContact O-CE1 3.39Å; P439-Y538 PolarHBondContact O-OH 2.95Å
440	G	75.4	Confident	86.9	Confident	1 Å²	1	8.1 Å²	8.1	1%	0.01	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-16.9	-176.7	0	0	0	0	0	114.8	V438 P442 F443	V438-G440 PolarHBondContact O-N 3.03Å; G440-P442 CarbonylContact O-C 3.51Å; G440-F443 CarbonylContact C-O 3.57Å; G440-F443 CarbonylContact O-C 3.59Å; G440-F443 WeakPolarHBondContact O-CA 3.43Å; G440-F443 WeakPolarHBondContact O-CB 3.18Å; G440-F443 WeakPolarHBondContact O-CG 3.33Å; G440-F443 PolarHBondContact O-N 2.78Å
441	W	85.5	Confident	86.6	Confident	1 Å²	1	16.4 Å²	16.4	0%	0.004	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133.5	-178.8	178.5	-92.1	0	0	0	113.5	L66 L74 Y360 V438 P439 C445 L467 P471	L66-W441 HydrophobicContact CD1-CZ2 3.73Å; L66-W441 HydrophobicContact CG-CZ2 4.08Å; L66-W441 PolarHBondContact O-NE1 3.02Å; L66-W441 VanDerWaalsContact O-NE1 3.09Å; L74-W441 HydrophobicContact CD1-CH2 3.27Å; L74-W441 HydrophobicContact CD1-CZ2 3.36Å; L74-W441 HydrophobicContact CD1-CZ3 4.45Å; Y360-W441 WeakPolarHBondContact CE1-O 3.34Å; V438-W441 HydrophobicContact CB-CB 3.86Å; V438-W441 HydrophobicContact CG1-CB 3.66Å; V438-W441 HydrophobicContact CG1-CE3 4.44Å; V438-W441 HydrophobicContact CG1-CG 4.34Å; V438-W441 VanDerWaalsContact O-CB 3.28Å; V438-W441 WeakPolarHBondContact O-CB 3.46Å; V438-W441 PolarHBondContact O-N 3.21Å; P439-W441 VanDerWaalsContact C-N 3.26Å; P439-W441 PolarHBondContact O-N 3.03Å; W441-C445 HydrophobicContact CE3-CB 3.97Å; W441-C445 HydrophobicContact CZ3-CB 3.82Å; W441-L467 HydrophobicContact CH2-CD1 3.79Å; W441-L467 HydrophobicContact CH2-CD2 3.69Å; W441-L467 HydrophobicContact CH2-CG 3.95Å; W441-L467 HydrophobicContact CZ2-CD2 4.31Å; W441-L467 HydrophobicContact CZ3-CD1 4.04Å; W441-L467 HydrophobicContact CZ3-CG 4.42Å; W441-P471 HydrophobicContact CD2-CG 3.65Å; W441-P471 HydrophobicContact CE3-CG 3.56Å; W441-P471 HydrophobicContact CG-CG 4.32Å; W441-P471 HydrophobicContact CH2-CG 3.92Å; W441-P471 HydrophobicContact CZ2-CG 4.07Å; W441-P471 HydrophobicContact CZ3-CG 3.7Å
442	P	83.5	Confident	86.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.2	7	-7.3	36.5	-34.3	0	0	0	113.3	F63 L66 Y119 G440 G444 C445	F63-P442 HydrophobicContact CE2-CG 3.97Å; F63-P442 HydrophobicContact CZ-CG 3.8Å; L66-P442 HydrophobicContact CD2-CB 3.8Å; L66-P442 HydrophobicContact CD2-CG 4.11Å; L66-P442 HydrophobicContact CG-CB 4.07Å; L66-P442 HydrophobicContact CG-CG 4.23Å; Y119-P442 WeakPolarHBondContact CE1-O 3.42Å; G440-P442 CarbonylContact O-C 3.51Å; P442-G444 PolarHBondContact O-N 3.45Å; P442-C445 WeakPolarHBondContact O-CB 3.48Å; P442-C445 PolarHBondContact O-N 2.88Å
443	F	82.5	Confident	86.4	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.009	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	121.3	176	-41.5	-36.1	0	0	0	110.5	F63 M134 H243 I357 Y360 G440 V534	F63-F443 HydrophobicContact CE1-CE1 4.36Å; F63-F443 HydrophobicContact CZ-CD1 4.43Å; F63-F443 HydrophobicContact CZ-CE1 4.5Å; M134-F443 HydrophobicContact SD-CB 4.05Å; M134-F443 HydrophobicContact SD-CD1 4.3Å; M134-F443 HydrophobicContact SD-CG 4.07Å; H243-F443 AromaticContact CD2-CE1 3.75Å; H243-F443 AromaticContact NE2-CD1 3.37Å; H243-F443 WeakPolarHBondContact NE2-CD1 3.2Å; H243-F443 AromaticContact NE2-CE1 3.05Å; H243-F443 WeakPolarHBondContact NE2-CE1 3.23Å; H243-F443 AromaticContact NE2-CZ 3.96Å; I357-F443 HydrophobicContact CG1-CD2 4.22Å; Y360-F443 HydrophobicContact CD1-CD2 4.21Å; Y360-F443 AromaticContact CD1-CE2 3.39Å; Y360-F443 HydrophobicContact CD1-CE2 3.39Å; Y360-F443 AromaticContact CD1-CZ 3.98Å; Y360-F443 HydrophobicContact CD1-CZ 3.98Å; Y360-F443 HydrophobicContact CD2-CE2 4.08Å; Y360-F443 AromaticContact CD2-CZ 3.96Å; Y360-F443 HydrophobicContact CD2-CZ 3.96Å; Y360-F443 AromaticContact CE1-CE2 3.86Å; Y360-F443 HydrophobicContact CE1-CE2 3.86Å; Y360-F443 HydrophobicContact CE1-CZ 4.13Å; Y360-F443 HydrophobicContact CE2-CE2 4.48Å; Y360-F443 HydrophobicContact CE2-CZ 4.12Å; Y360-F443 AromaticContact CG-CE2 3.52Å; Y360-F443 HydrophobicContact CG-CE2 3.52Å; Y360-F443 AromaticContact CG-CZ 3.9Å; Y360-F443 HydrophobicContact CG-CZ 3.9Å; G440-F443 CarbonylContact C-O 3.57Å; G440-F443 CarbonylContact O-C 3.59Å; G440-F443 WeakPolarHBondContact O-CA 3.43Å; G440-F443 WeakPolarHBondContact O-CB 3.18Å; G440-F443 WeakPolarHBondContact O-CG 3.33Å; G440-F443 PolarHBondContact O-N 2.78Å; F443-V534 HydrophobicContact CB-CG2 4.32Å
444	G	78.9	Confident	86.2	Confident	3 Å²	3	25.3 Å²	25.3	3%	0.031	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	8.4	-176.2	0	0	0	0	0	115.1	P442 R447	P442-G444 PolarHBondContact O-N 3.45Å; G444-R447 VanDerWaalsContact O-CZ 3.28Å; G444-R447 PolarHBondContact O-NH1 3.21Å; G444-R447 PolarHBondContact O-NH2 2.94Å
445	C	86.5	Confident	86	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-45.8	175.2	-61.3	0	0	0	0	116	Y119 W441 P442 R447 L467 F468 E470	Y119-C445 WeakPolarHBondContact OH-CA 3.17Å; Y119-C445 PolarHBondContact OH-N 3.3Å; Y119-C445 PolarHBondContact OH-O 3.41Å; W441-C445 HydrophobicContact CE3-CB 3.97Å; W441-C445 HydrophobicContact CZ3-CB 3.82Å; P442-C445 WeakPolarHBondContact O-CB 3.48Å; P442-C445 PolarHBondContact O-N 2.88Å; C445-R447 PolarHBondContact O-N 3.46Å; C445-L467 HydrophobicContact CB-CD1 3.88Å; C445-F468 WeakPolarHBondContact CB-O 3.22Å; C445-F468 WeakPolarHBondContact O-CD2 3.36Å; C445-F468 PolarHBondContact O-N 2.89Å; C445-E470 VanDerWaalsContact SG-CD 3.58Å
446	L	88	Confident	85.8	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	83.1	168.7	-169.9	73	0	0	0	119.3	F63 L92 V97 H118 Y119 L465 V466 L467	F63-L446 HydrophobicContact CD2-CD2 4.24Å; F63-L446 HydrophobicContact CE2-CD2 4.06Å; L92-L446 HydrophobicContact CD2-CD1 4.31Å; L92-L446 HydrophobicContact CD2-CD2 3.66Å; V97-L446 HydrophobicContact CG1-CD1 4.03Å; H118-L446 PolarHBondContact N-O 3.5Å; Y119-L446 HydrophobicContact CD1-CB 3.65Å; Y119-L446 HydrophobicContact CD1-CD2 4.45Å; Y119-L446 VanDerWaalsContact CE1-C 3.44Å; Y119-L446 HydrophobicContact CE1-CB 3.16Å; Y119-L446 HydrophobicContact CE1-CG 4.38Å; Y119-L446 WeakPolarHBondContact CE1-O 3.41Å; Y119-L446 WeakPolarHBondContact CE2-O 3.27Å; Y119-L446 WeakPolarHBondContact OH-CA 3.29Å; Y119-L446 PolarHBondContact OH-N 2.97Å; Y119-L446 PolarHBondContact OH-O 3.24Å; L446-L465 HydrophobicContact CD1-CB 3.84Å; L446-L465 HydrophobicContact CD1-CD1 4.12Å; L446-L465 HydrophobicContact CD1-CG 4.49Å; L446-L465 HydrophobicContact CD2-CD1 4.23Å; L446-L465 HydrophobicContact CG-CB 4.47Å; L446-L465 HydrophobicContact CG-CD1 4.37Å; L446-V466 CarbonylContact C-O 3.4Å; L446-V466 WeakPolarHBondContact CA-O 3.5Å; L446-L467 HydrophobicContact CB-CD1 3.82Å; L446-L467 HydrophobicContact CD1-CB 4.01Å; L446-L467 HydrophobicContact CD1-CD1 4.14Å
447	R	86.7	Confident	85.6	Confident	20 Å²	20	36.7 Å²	36.7	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	163.4	175	-56.9	-72	-173.9	-99.5	-4.6	112.4	D110 L115 D116 Y119 G444 C445 L465 V466 F468	D110-R447 IonicContact OD1-NH2 2.61Å; D110-R447 PolarHBondContact OD1-NH2 3.46Å; L115-R447 HydrophobicContact CB-CB 3.82Å; L115-R447 HydrophobicContact CB-CG 4.03Å; L115-R447 HydrophobicContact CD2-CB 4.35Å; L115-R447 HydrophobicContact CG-CB 4.46Å; D116-R447 CarbonylContact O-C 3.42Å; D116-R447 WeakPolarHBondContact O-CA 3.41Å; D116-R447 WeakPolarHBondContact O-CB 3.25Å; D116-R447 WeakPolarHBondContact O-CD 3.23Å; Y119-R447 PolarHBondContact OH-N 3.34Å; Y119-R447 VanDerWaalsContact OH-N 3.15Å; Y119-R447 PolarHBondContact OH-NH1 2.58Å; G444-R447 VanDerWaalsContact O-CZ 3.28Å; G444-R447 PolarHBondContact O-NH1 3.21Å; G444-R447 PolarHBondContact O-NH2 2.94Å; C445-R447 PolarHBondContact O-N 3.46Å; R447-L465 CarbonylContact O-C 3.18Å; R447-L465 VanDerWaalsContact O-CA 3.29Å; R447-L465 WeakPolarHBondContact O-CA 3.05Å; R447-V466 HydrophobicContact CB-CB 4.42Å; R447-V466 PolarHBondContact N-O 3.35Å; R447-V466 PolarHBondContact O-N 3.01Å; R447-F468 HydrophobicContact CG-CD2 4.07Å; R447-F468 HydrophobicContact CG-CE2 3.49Å; R447-F468 VanDerWaalsContact CG-CE2 3.49Å; R447-F468 HydrophobicContact CG-CZ 4.28Å
448	Q	86.8	Confident	85.6	Confident	44 Å²	44	38.2 Å²	38.2	21%	0.206	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.6	162.7	178.3	175.1	36.7	0	0	109.8	L115 D116 H118 L450 L465	L115-Q448 WeakPolarHBondContact CA-O 3.22Å; D116-Q448 PolarHBondContact N-O 3.07Å; D116-Q448 PolarHBondContact O-N 3.19Å; H118-Q448 HydrophobicContact CB-CB 3.29Å; H118-Q448 PolarHBondContact CE1-OE1 3.24Å; H118-Q448 VanDerWaalsContact CE1-OE1 3.24Å; H118-Q448 PolarHBondContact ND1-OE1 2.98Å; Q448-L450 PolarHBondContact O-N 3.49Å; Q448-L465 HydrophobicContact CB-CD2 4.04Å; Q448-L465 HydrophobicContact CG-CD2 4.43Å
449	A	89.4	Confident	85.8	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117.3	170.9	0	0	0	0	0	110.9	L114 L115 R451 F460 A461 G463 E464	L114-A449 WeakPolarHBondContact O-CA 3.24Å; L115-A449 HydrophobicContact CD2-CB 4.16Å; A449-R451 VanDerWaalsContact C-N 3.3Å; A449-F460 HydrophobicContact CB-CD2 3.43Å; A449-F460 VanDerWaalsContact CB-CD2 3.43Å; A449-F460 HydrophobicContact CB-CE2 3.59Å; A449-A461 VanDerWaalsContact CB-O 3.25Å; A449-A461 WeakPolarHBondContact CB-O 3.35Å; A449-G463 PolarHBondContact O-N 3.25Å; A449-E464 PolarHBondContact N-O 3.47Å
450	L	85.5	Confident	86.3	Confident	66 Å²	66	38.2 Å²	38.2	35%	0.346	18%	0.179	S	C	.	.	S	Bend	trans	-74.2	-25.2	174.3	-65.6	-177.8	0	0	0	112.3	L114 D116 Q448 E462	L114-L450 PolarHBondContact O-N 2.86Å; D116-L450 HydrophobicContact CB-CD1 3.96Å; D116-L450 HydrophobicContact CB-CD2 3.78Å; D116-L450 HydrophobicContact CB-CG 3.86Å; Q448-L450 PolarHBondContact O-N 3.49Å; L450-E462 WeakPolarHBondContact O-CG 3.28Å
451	R	86.9	Confident	86.9	Confident	173 Å²	173	39.6 Å²	39.6	65%	0.653	19%	0.19	S	C	*	.	S	Bend	trans	-151.6	165	178.1	-61.6	-174.1	179.9	170.9	1.5	108.8	L114 A449 F460	L114-R451 HydrophobicContact CD2-CB 4.37Å; A449-R451 VanDerWaalsContact C-N 3.3Å; R451-F460 WeakPolarHBondContact O-CE2 3.48Å
452	D	89.6	Confident	87	Confident	70 Å²	70	45.9 Å²	45.9	37%	0.374	22%	0.219	S	C	.	.			trans	-54.6	140.2	168.2	-62.5	-12.1	0	0	0	110.7	Y49 F460 A461 E462	Y49-D452 VanDerWaalsContact OH-CG 3.24Å; Y49-D452 PolarHBondContact OH-OD1 3.31Å; Y49-D452 PolarHBondContact OH-OD2 3.32Å; D452-F460 WeakPolarHBondContact CA-O 3.02Å; D452-A461 WeakPolarHBondContact OD1-CA 3.37Å; D452-E462 PolarHBondContact OD1-N 3.44Å
453	G	90.3	Very high	87.1	Confident	10 Å²	10	47.4 Å²	47.4	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	-172.8	177.8	0	0	0	0	0	111.9	D459 F460	G453-D459 WeakPolarHBondContact O-CA 3.13Å; G453-F460 VanDerWaalsContact C-CE1 3.42Å; G453-F460 VanDerWaalsContact CA-CZ 3.44Å; G453-F460 PolarHBondContact N-O 3.1Å; G453-F460 PolarHBondContact O-N 3.19Å
454	E	90.1	Very high	87.5	Confident	108 Å²	108	48.1 Å²	48.1	51%	0.505	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145	-179.8	61.7	175.9	-174.7	0	0	112.6	Q458	E454-Q458 CarbonylContact C-O 3.57Å; E454-Q458 VanDerWaalsContact CA-O 3.27Å; E454-Q458 WeakPolarHBondContact CA-O 3.49Å
455	I	87.7	Confident	88.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.3	167.1	-53.7	-179.1	0	0	0	106.5	L87 L98 V100 L105 Y109 K457 Q458 F460 V466	L87-I455 HydrophobicContact CD1-CB 4.02Å; L87-I455 HydrophobicContact CD1-CG2 3.92Å; L87-I455 WeakPolarHBondContact CD1-O 3.41Å; L87-I455 HydrophobicContact CD2-CB 4.22Å; L87-I455 HydrophobicContact CD2-CG2 4Å; L87-I455 HydrophobicContact CG-CG2 4.47Å; L98-I455 HydrophobicContact CD2-CD1 4.35Å; V100-I455 HydrophobicContact CG2-CD1 4.08Å; L105-I455 HydrophobicContact CD1-CG2 4.1Å; L105-I455 HydrophobicContact CD2-CG2 4.5Å; Y109-I455 HydrophobicContact CD1-CD1 4.39Å; Y109-I455 HydrophobicContact CD1-CG1 4.13Å; Y109-I455 HydrophobicContact CD2-CG2 4.19Å; Y109-I455 HydrophobicContact CE1-CB 4.49Å; Y109-I455 HydrophobicContact CE1-CG1 3.9Å; Y109-I455 HydrophobicContact CE1-CG2 4.44Å; Y109-I455 HydrophobicContact CE2-CG2 3.78Å; I455-K457 VanDerWaalsContact C-N 3.3Å; I455-K457 PolarHBondContact O-N 3.14Å; I455-Q458 PolarHBondContact N-O 3.31Å; I455-Q458 WeakPolarHBondContact O-CB 3.1Å; I455-Q458 PolarHBondContact O-N 2.88Å; I455-F460 HydrophobicContact CD1-CD1 4.36Å; I455-F460 HydrophobicContact CD1-CE1 4.31Å; I455-F460 HydrophobicContact CG1-CD1 3.99Å; I455-F460 HydrophobicContact CG1-CE1 3.81Å; I455-V466 HydrophobicContact CD1-CG1 4.23Å
456	L	86.2	Confident	88.3	Confident	86 Å²	86	48 Å²	48	45%	0.45	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.4	-177	-67.8	-176.9	0	0	0	114.6	P86 L87 L105 Q458	P86-L456 HydrophobicContact CB-CD1 4.02Å; P86-L456 HydrophobicContact CG-CD1 3.57Å; L87-L456 HydrophobicContact CD1-CB 3.96Å; L87-L456 HydrophobicContact CD1-CD1 4.41Å; L87-L456 HydrophobicContact CD1-CG 4.5Å; L105-L456 HydrophobicContact CD1-CD1 3.35Å; L105-L456 HydrophobicContact CD1-CG 3.8Å; L105-L456 HydrophobicContact CD2-CD1 3.95Å; L105-L456 HydrophobicContact CD2-CD2 3.88Å; L105-L456 HydrophobicContact CD2-CG 3.7Å; L105-L456 HydrophobicContact CG-CD1 4.18Å; L105-L456 HydrophobicContact CG-CG 4.39Å; L456-Q458 PolarHBondContact O-N 3.29Å; L456-Q458 VanDerWaalsContact O-N 3.13Å
457	K	84.1	Confident	88.4	Confident	167 Å²	167	47.9 Å²	47.9	73%	0.726	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	14	-176.9	-48.7	176.7	178.5	177.9	0	114.2	N50 I455	N50-K457 PolarHBondContact ND2-O 2.97Å; I455-K457 VanDerWaalsContact C-N 3.3Å; I455-K457 PolarHBondContact O-N 3.14Å
458	Q	88.2	Confident	88.5	Confident	34 Å²	34	47 Å²	47	16%	0.159	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.9	170	-63.6	-174.8	-9.9	0	0	108.7	N50 P52 L87 E454 I455 L456	N50-Q458 CarbonylContact O-C 3.36Å; N50-Q458 VanDerWaalsContact O-CA 3.23Å; N50-Q458 WeakPolarHBondContact O-CA 3.46Å; P52-Q458 HydrophobicContact CG-CB 3.99Å; L87-Q458 HydrophobicContact CD1-CB 4.07Å; L87-Q458 HydrophobicContact CD1-CG 4.28Å; L87-Q458 VanDerWaalsContact CD1-OE1 3.29Å; E454-Q458 CarbonylContact C-O 3.57Å; E454-Q458 VanDerWaalsContact CA-O 3.27Å; E454-Q458 WeakPolarHBondContact CA-O 3.49Å; I455-Q458 PolarHBondContact N-O 3.31Å; I455-Q458 WeakPolarHBondContact O-CB 3.1Å; I455-Q458 PolarHBondContact O-N 2.88Å; L456-Q458 PolarHBondContact O-N 3.29Å; L456-Q458 VanDerWaalsContact O-N 3.13Å
459	D	89.7	Confident	88.6	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.6	-173.5	-63.8	-84.2	0	0	0	111.2	K47 Y49 N50 R89 G453	K47-D459 IonicContact NZ-OD1 3.19Å; K47-D459 PolarHBondContact NZ-OD1 3.24Å; Y49-D459 WeakPolarHBondContact CA-OD2 3.35Å; Y49-D459 HydrophobicContact CD1-CB 3.44Å; Y49-D459 VanDerWaalsContact CD1-CB 3.44Å; Y49-D459 HydrophobicContact CE1-CB 4.15Å; Y49-D459 HydrophobicContact CG-CB 4.27Å; N50-D459 PolarHBondContact N-OD2 3.11Å; N50-D459 PolarHBondContact O-N 2.86Å; R89-D459 PolarHBondContact NH2-O 3.14Å; G453-D459 WeakPolarHBondContact O-CA 3.13Å
460	F	90.3	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.3	160.3	60.9	-98.9	0	0	0	109.3	L98 F112 L114 L115 A449 R451 D452 G453 I455 E464	L98-F460 HydrophobicContact CD2-CB 3.99Å; L98-F460 HydrophobicContact CD2-CD1 4.43Å; F112-F460 HydrophobicContact CD1-CZ 4.42Å; F112-F460 HydrophobicContact CE1-CE1 4.26Å; F112-F460 AromaticContact CE1-CZ 3.94Å; F112-F460 HydrophobicContact CE1-CZ 3.94Å; L114-F460 HydrophobicContact CB-CZ 4.32Å; L115-F460 HydrophobicContact CD2-CE2 4.02Å; L115-F460 HydrophobicContact CD2-CZ 4.06Å; L115-F460 HydrophobicContact CG-CZ 4.48Å; A449-F460 HydrophobicContact CB-CD2 3.43Å; A449-F460 VanDerWaalsContact CB-CD2 3.43Å; A449-F460 HydrophobicContact CB-CE2 3.59Å; R451-F460 WeakPolarHBondContact O-CE2 3.48Å; D452-F460 WeakPolarHBondContact CA-O 3.02Å; G453-F460 VanDerWaalsContact C-CE1 3.42Å; G453-F460 VanDerWaalsContact CA-CZ 3.44Å; G453-F460 PolarHBondContact N-O 3.1Å; G453-F460 PolarHBondContact O-N 3.19Å; I455-F460 HydrophobicContact CD1-CD1 4.36Å; I455-F460 HydrophobicContact CD1-CE1 4.31Å; I455-F460 HydrophobicContact CG1-CD1 3.99Å; I455-F460 HydrophobicContact CG1-CE1 3.81Å; F460-E464 WeakPolarHBondContact CA-OE2 3.44Å
461	A	88.5	Confident	88.4	Confident	30 Å²	30	41.9 Å²	41.9	25%	0.248	21%	0.207	C	C	.	.			trans	-92.9	154.9	-178.7	0	0	0	0	0	111.8	Y49 A449 D452 G463 E464	Y49-A461 HydrophobicContact CE1-CB 3.98Å; A449-A461 VanDerWaalsContact CB-O 3.25Å; A449-A461 WeakPolarHBondContact CB-O 3.35Å; D452-A461 WeakPolarHBondContact OD1-CA 3.37Å; A461-G463 PolarHBondContact O-N 3.42Å; A461-E464 PolarHBondContact N-OE2 3.17Å; A461-E464 WeakPolarHBondContact O-CB 3.44Å; A461-E464 PolarHBondContact O-N 2.9Å
462	E	88.5	Confident	88.1	Confident	133 Å²	133	34.1 Å²	34.1	62%	0.621	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	132.3	167.6	-176.5	176.9	159.6	0	0	110.8	L450 D452 E464	L450-E462 WeakPolarHBondContact O-CG 3.28Å; D452-E462 PolarHBondContact OD1-N 3.44Å; E462-E464 PolarHBondContact O-N 2.99Å
463	G	85.9	Confident	87.7	Confident	32 Å²	32	31.4 Å²	31.4	33%	0.33	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-7.6	-177.4	0	0	0	0	0	115.3	A449 A461	A449-G463 PolarHBondContact O-N 3.25Å; A461-G463 PolarHBondContact O-N 3.42Å
464	E	89.6	Confident	87.4	Confident	16 Å²	16	31 Å²	31	8%	0.075	16%	0.159	C	C	.	.			trans	-65.9	144.5	170.7	-167.2	171.4	-173.9	0	0	110.3	R89 N96 A449 F460 A461 E462	R89-E464 IonicContact CZ-OE1 3.55Å; R89-E464 IonicContact CZ-OE2 2.74Å; R89-E464 IonicContact NE-OE1 2.77Å; R89-E464 PolarHBondContact NE-OE1 3.26Å; R89-E464 IonicContact NE-OE2 2.77Å; R89-E464 IonicContact NH2-OE1 3.28Å; R89-E464 IonicContact NH2-OE2 3.68Å; R89-E464 PolarHBondContact NH2-OE2 3.17Å; N96-E464 HydrophobicContact CB-CG 4.41Å; A449-E464 PolarHBondContact N-O 3.47Å; F460-E464 WeakPolarHBondContact CA-OE2 3.44Å; A461-E464 PolarHBondContact N-OE2 3.17Å; A461-E464 WeakPolarHBondContact O-CB 3.44Å; A461-E464 PolarHBondContact O-N 2.9Å; E462-E464 PolarHBondContact O-N 2.99Å
465	L	90.9	Very high	86.9	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.9	175.5	-60.9	179.7	0	0	0	110	L92 Q95 N96 V97 L98 H118 L446 R447 Q448	L92-L465 HydrophobicContact CD2-CD1 4.12Å; Q95-L465 HydrophobicContact CB-CD1 4.36Å; N96-L465 PolarHBondContact O-N 2.81Å; V97-L465 CarbonylContact C-O 3.54Å; V97-L465 WeakPolarHBondContact CA-O 3.21Å; V97-L465 HydrophobicContact CB-CB 4.48Å; V97-L465 HydrophobicContact CG1-CB 4.28Å; V97-L465 HydrophobicContact CG2-CB 4.06Å; V97-L465 HydrophobicContact CG2-CD1 4.25Å; L98-L465 PolarHBondContact N-O 3.4Å; H118-L465 HydrophobicContact CB-CD2 4.28Å; H118-L465 VanDerWaalsContact CD2-CD2 3.45Å; H118-L465 WeakPolarHBondContact CD2-CD2 3.19Å; L446-L465 HydrophobicContact CD1-CB 3.84Å; L446-L465 HydrophobicContact CD1-CD1 4.12Å; L446-L465 HydrophobicContact CD1-CG 4.49Å; L446-L465 HydrophobicContact CD2-CD1 4.23Å; L446-L465 HydrophobicContact CG-CB 4.47Å; L446-L465 HydrophobicContact CG-CD1 4.37Å; R447-L465 CarbonylContact O-C 3.18Å; R447-L465 VanDerWaalsContact O-CA 3.29Å; R447-L465 WeakPolarHBondContact O-CA 3.05Å; Q448-L465 HydrophobicContact CB-CD2 4.04Å; Q448-L465 HydrophobicContact CG-CD2 4.43Å
466	V	91	Very high	86.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.3	177.1	-177.3	0	0	0	0	108.5	L98 V100 L115 L446 R447 I455 F468	L98-V466 HydrophobicContact CB-CG2 4.28Å; L98-V466 HydrophobicContact CD2-CG2 4.41Å; L98-V466 CarbonylContact O-C 3.53Å; L98-V466 WeakPolarHBondContact O-CA 3.38Å; V100-V466 HydrophobicContact CG2-CG1 3.63Å; L115-V466 HydrophobicContact CD1-CB 4.4Å; L115-V466 HydrophobicContact CD1-CG1 4.24Å; L115-V466 HydrophobicContact CD2-CB 4.12Å; L115-V466 HydrophobicContact CD2-CG2 3.62Å; L446-V466 CarbonylContact C-O 3.4Å; L446-V466 WeakPolarHBondContact CA-O 3.5Å; R447-V466 HydrophobicContact CB-CB 4.42Å; R447-V466 PolarHBondContact N-O 3.35Å; R447-V466 PolarHBondContact O-N 3.01Å; I455-V466 HydrophobicContact CD1-CG1 4.23Å; V466-F468 HydrophobicContact CG1-CE1 4.27Å
467	L	91.1	Very high	86	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113	177.9	-176.1	66.6	0	0	0	110.3	L66 L74 V97 L98 F99 V100 W441 C445 L446 D469	L66-L467 HydrophobicContact CD1-CD2 4.04Å; L66-L467 HydrophobicContact CD2-CD1 4.37Å; L66-L467 HydrophobicContact CD2-CD2 4.45Å; L74-L467 HydrophobicContact CD1-CD2 4.05Å; V97-L467 HydrophobicContact CG1-CB 3.73Å; L98-L467 PolarHBondContact O-N 2.94Å; F99-L467 WeakPolarHBondContact CA-O 3.18Å; F99-L467 HydrophobicContact CD1-CB 4.21Å; F99-L467 HydrophobicContact CD1-CD2 3.59Å; F99-L467 HydrophobicContact CD1-CG 4.34Å; F99-L467 HydrophobicContact CE1-CB 4.45Å; F99-L467 HydrophobicContact CE1-CD2 3.35Å; F99-L467 HydrophobicContact CE1-CG 4.47Å; F99-L467 HydrophobicContact CZ-CD2 4.39Å; V100-L467 PolarHBondContact N-O 3.18Å; W441-L467 HydrophobicContact CH2-CD1 3.79Å; W441-L467 HydrophobicContact CH2-CD2 3.69Å; W441-L467 HydrophobicContact CH2-CG 3.95Å; W441-L467 HydrophobicContact CZ2-CD2 4.31Å; W441-L467 HydrophobicContact CZ3-CD1 4.04Å; W441-L467 HydrophobicContact CZ3-CG 4.42Å; C445-L467 HydrophobicContact CB-CD1 3.88Å; L446-L467 HydrophobicContact CB-CD1 3.82Å; L446-L467 HydrophobicContact CD1-CB 4.01Å; L446-L467 HydrophobicContact CD1-CD1 4.14Å; L467-D469 PolarHBondContact O-N 3.03Å
468	F	89.3	Confident	85.7	Confident	1 Å²	1	24.8 Å²	24.8	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	111.6	166.6	-61.2	-52.8	0	0	0	109.8	V100 I106 Y109 L115 C445 R447 V466 E470	V100-F468 HydrophobicContact CB-CD1 3.91Å; V100-F468 HydrophobicContact CB-CE1 4.45Å; V100-F468 HydrophobicContact CG1-CD1 4.26Å; V100-F468 HydrophobicContact CG2-CD1 3.98Å; V100-F468 HydrophobicContact CG2-CE1 4.13Å; I106-F468 HydrophobicContact CB-CD1 4.42Å; I106-F468 HydrophobicContact CD1-CB 4.33Å; I106-F468 HydrophobicContact CG1-CB 4.01Å; I106-F468 HydrophobicContact CG1-CD1 4.03Å; I106-F468 HydrophobicContact CG1-CG 4.4Å; I106-F468 HydrophobicContact CG2-CB 3.95Å; I106-F468 HydrophobicContact CG2-CD1 4.44Å; I106-F468 HydrophobicContact CG2-CG 4.24Å; Y109-F468 WeakPolarHBondContact O-CZ 3.39Å; L115-F468 HydrophobicContact CD1-CZ 3.8Å; C445-F468 WeakPolarHBondContact CB-O 3.22Å; C445-F468 WeakPolarHBondContact O-CD2 3.36Å; C445-F468 PolarHBondContact O-N 2.89Å; R447-F468 HydrophobicContact CG-CD2 4.07Å; R447-F468 HydrophobicContact CG-CE2 3.49Å; R447-F468 VanDerWaalsContact CG-CE2 3.49Å; R447-F468 HydrophobicContact CG-CZ 4.28Å; V466-F468 HydrophobicContact CG1-CE1 4.27Å; F468-E470 VanDerWaalsContact C-N 3.31Å; F468-E470 PolarHBondContact O-N 3.38Å
469	D	87	Confident	85.2	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.			trans	-84.4	71.6	-174.3	-173.8	9.7	0	0	0	112	Y78 V100 L467 P471 S472 Y473	Y78-D469 WeakPolarHBondContact CD2-OD2 3.43Å; Y78-D469 WeakPolarHBondContact CE2-OD2 3.37Å; V100-D469 WeakPolarHBondContact O-CB 2.94Å; V100-D469 PolarHBondContact O-N 2.97Å; L467-D469 PolarHBondContact O-N 3.03Å; D469-P471 VanDerWaalsContact C-CD 3.41Å; D469-P471 VanDerWaalsContact C-N 3.34Å; D469-P471 VanDerWaalsContact OD1-CD 3.23Å; D469-P471 WeakPolarHBondContact OD1-CD 3.22Å; D469-S472 PolarHBondContact O-N 2.94Å; D469-S472 PolarHBondContact OD1-N 3.46Å; D469-S472 PolarHBondContact OD1-OG 3.46Å; D469-S472 VanDerWaalsContact OD2-CB 3.22Å; D469-S472 WeakPolarHBondContact OD2-CB 3.34Å; D469-S472 PolarHBondContact OD2-OG 2.83Å; D469-Y473 PolarHBondContact O-N 3.42Å
470	E	85.5	Confident	84.8	Confident	3 Å²	3	24.7 Å²	24.7	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-39.1	173.2	-59.8	-167.7	175.9	0	0	114.6	V438 C445 F468 S472 Y473 Y474 R531 Y538	V438-E470 HydrophobicContact CG1-CB 3.81Å; C445-E470 VanDerWaalsContact SG-CD 3.58Å; F468-E470 VanDerWaalsContact C-N 3.31Å; F468-E470 PolarHBondContact O-N 3.38Å; E470-S472 PolarHBondContact O-N 3.29Å; E470-Y473 WeakPolarHBondContact O-CB 3.46Å; E470-Y473 PolarHBondContact O-N 2.88Å; E470-Y473 VanDerWaalsContact O-N 3.11Å; E470-Y474 HydrophobicContact CB-CD2 4.32Å; E470-Y474 HydrophobicContact CB-CE2 3.73Å; E470-Y474 WeakPolarHBondContact O-CD2 3.31Å; E470-Y474 PolarHBondContact O-N 2.88Å; E470-Y474 WeakPolarHBondContact OE2-CE2 3.3Å; E470-Y474 PolarHBondContact OE2-OH 3.15Å; E470-R531 IonicContact OE1-CZ 2.89Å; E470-R531 IonicContact OE1-NH1 2.76Å; E470-R531 PolarHBondContact OE1-NH1 2.8Å; E470-R531 IonicContact OE1-NH2 3.11Å; E470-R531 PolarHBondContact OE1-NH2 3.38Å; E470-R531 IonicContact OE2-NH1 3.61Å; E470-Y538 PolarHBondContact OE2-OH 3.44Å
471	P	86.2	Confident	83.8	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-54.2	-38.7	175.6	-26.5	31.5	0	0	0	114.1	T75 V438 W441 D469 S475	T75-P471 PolarHBondContact OG1-O 2.98Å; V438-P471 HydrophobicContact CG1-CG 3.99Å; V438-P471 HydrophobicContact CG2-CB 4.13Å; V438-P471 HydrophobicContact CG2-CG 4.13Å; W441-P471 HydrophobicContact CD2-CG 3.65Å; W441-P471 HydrophobicContact CE3-CG 3.56Å; W441-P471 HydrophobicContact CG-CG 4.32Å; W441-P471 HydrophobicContact CH2-CG 3.92Å; W441-P471 HydrophobicContact CZ2-CG 4.07Å; W441-P471 HydrophobicContact CZ3-CG 3.7Å; D469-P471 VanDerWaalsContact C-CD 3.41Å; D469-P471 VanDerWaalsContact C-N 3.34Å; D469-P471 VanDerWaalsContact OD1-CD 3.23Å; D469-P471 WeakPolarHBondContact OD1-CD 3.22Å; P471-S475 WeakPolarHBondContact O-CB 3.03Å; P471-S475 PolarHBondContact O-OG 3.47Å
472	S	81.2	Confident	82.3	Confident	11 Å²	11	30.4 Å²	30.4	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-71.7	-40.8	176	-67	0	0	0	0	111.7	Y78 D469 E470 Y474 S475 D476	Y78-S472 VanDerWaalsContact CD2-OG 3.24Å; Y78-S472 WeakPolarHBondContact CD2-OG 3.49Å; D469-S472 PolarHBondContact O-N 2.94Å; D469-S472 PolarHBondContact OD1-N 3.46Å; D469-S472 PolarHBondContact OD1-OG 3.46Å; D469-S472 VanDerWaalsContact OD2-CB 3.22Å; D469-S472 WeakPolarHBondContact OD2-CB 3.34Å; D469-S472 PolarHBondContact OD2-OG 2.83Å; E470-S472 PolarHBondContact O-N 3.29Å; S472-Y474 PolarHBondContact O-N 3.42Å; S472-S475 CarbonylContact O-C 3.56Å; S472-S475 PolarHBondContact O-N 3.45Å; S472-S475 VanDerWaalsContact O-N 3.12Å; S472-D476 PolarHBondContact O-N 3.22Å
473	Y	81.1	Confident	80.6	Confident	13 Å²	13	30.9 Å²	30.9	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-48.9	173.6	165	-132.2	0	0	0	112.7	W103 D469 E470 S475 D476 L479 W480 H523	W103-Y473 HydrophobicContact CB-CD1 4.46Å; W103-Y473 HydrophobicContact CB-CD2 3.05Å; W103-Y473 HydrophobicContact CB-CE2 3.48Å; W103-Y473 VanDerWaalsContact CB-CE2 3.48Å; W103-Y473 HydrophobicContact CB-CG 3.61Å; W103-Y473 HydrophobicContact CD2-CD2 4.43Å; W103-Y473 HydrophobicContact CD2-CE2 4.02Å; W103-Y473 HydrophobicContact CE3-CE2 4.26Å; W103-Y473 AromaticContact CG-CD2 3.65Å; W103-Y473 HydrophobicContact CG-CD2 3.65Å; W103-Y473 AromaticContact CG-CE2 3.72Å; W103-Y473 HydrophobicContact CG-CE2 3.72Å; D469-Y473 PolarHBondContact O-N 3.42Å; E470-Y473 WeakPolarHBondContact O-CB 3.46Å; E470-Y473 PolarHBondContact O-N 2.88Å; E470-Y473 VanDerWaalsContact O-N 3.11Å; Y473-S475 PolarHBondContact O-N 3.07Å; Y473-D476 PolarHBondContact O-N 3.11Å; Y473-L479 HydrophobicContact CD2-CD1 3.36Å; Y473-L479 HydrophobicContact CE2-CD1 3.32Å; Y473-W480 PolarHBondContact O-NE1 3Å; Y473-W480 VanDerWaalsContact O-NE1 3.17Å; Y473-H523 AromaticContact CZ-CD2 3.93Å; Y473-H523 WeakPolarHBondContact OH-CB 3.08Å; Y473-H523 PolarHBondContact OH-CD2 3.29Å; Y473-H523 VanDerWaalsContact OH-CD2 3.25Å; Y473-H523 PolarHBondContact OH-O 3.44Å
474	Y	82.9	Confident	78.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.8	-180	-58.4	-32.3	0	0	0	113.7	R435 V438 E470 S472 W480 W524 N527 R531	R435-Y474 WeakPolarHBondContact CD-O 3.42Å; R435-Y474 WeakPolarHBondContact CG-O 3.49Å; R435-Y474 PolarHBondContact NH1-O 3.23Å; R435-Y474 WeakPolarHBondContact O-CB 3.08Å; V438-Y474 HydrophobicContact CB-CD2 4.08Å; V438-Y474 HydrophobicContact CB-CE2 4.21Å; V438-Y474 HydrophobicContact CG1-CD2 3.64Å; V438-Y474 HydrophobicContact CG1-CE2 3.47Å; V438-Y474 VanDerWaalsContact CG1-CE2 3.47Å; V438-Y474 HydrophobicContact CG2-CD2 3.98Å; E470-Y474 HydrophobicContact CB-CD2 4.32Å; E470-Y474 HydrophobicContact CB-CE2 3.73Å; E470-Y474 WeakPolarHBondContact O-CD2 3.31Å; E470-Y474 PolarHBondContact O-N 2.88Å; E470-Y474 WeakPolarHBondContact OE2-CE2 3.3Å; E470-Y474 PolarHBondContact OE2-OH 3.15Å; S472-Y474 PolarHBondContact O-N 3.42Å; Y474-W480 VanDerWaalsContact C-NE1 3.32Å; Y474-W480 PolarHBondContact O-NE1 3.03Å; Y474-W524 HydrophobicContact CD1-CE3 4.01Å; Y474-W524 AromaticContact CD1-CZ3 3.58Å; Y474-W524 HydrophobicContact CD1-CZ3 3.58Å; Y474-W524 HydrophobicContact CD2-CZ3 4.47Å; Y474-W524 HydrophobicContact CE1-CE3 4.03Å; Y474-W524 AromaticContact CE1-CZ3 3.53Å; Y474-W524 HydrophobicContact CE1-CZ3 3.53Å; Y474-W524 HydrophobicContact CE2-CZ3 4.46Å; Y474-W524 HydrophobicContact CG-CZ3 4.1Å; Y474-N527 WeakPolarHBondContact CE1-ND2 3.43Å; Y474-N527 VanDerWaalsContact OH-CG 3.31Å; Y474-N527 PolarHBondContact OH-ND2 2.71Å; Y474-N527 PolarHBondContact OH-OD1 3.29Å; Y474-N527 VanDerWaalsContact OH-OD1 3.04Å; Y474-R531 PolarHBondContact OH-NH1 3.22Å
475	S	80.3	Confident	76.7	Confident	11 Å²	11	45.3 Å²	45.3	8%	0.077	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	1	-175.8	-72.8	0	0	0	0	113.7	T75 P471 S472 Y473 P477	T75-S475 VanDerWaalsContact CG2-OG 3.29Å; T75-S475 WeakPolarHBondContact CG2-OG 3.18Å; P471-S475 WeakPolarHBondContact O-CB 3.03Å; P471-S475 PolarHBondContact O-OG 3.47Å; S472-S475 CarbonylContact O-C 3.56Å; S472-S475 PolarHBondContact O-N 3.45Å; S472-S475 VanDerWaalsContact O-N 3.12Å; Y473-S475 PolarHBondContact O-N 3.07Å; S475-P477 WeakPolarHBondContact O-CD 3.38Å
476	D	78.2	Confident	74.3	Confident	33 Å²	33	48 Å²	48	18%	0.176	29%	0.288	C	S	.	.			trans	-65	119.1	-175.3	-167.4	-12.1	0	0	0	110.6	K84 S472 Y473 D478 L479 W480	K84-D476 IonicContact NZ-OD1 2.88Å; K84-D476 PolarHBondContact NZ-OD1 3.38Å; S472-D476 PolarHBondContact O-N 3.22Å; Y473-D476 PolarHBondContact O-N 3.11Å; D476-D478 PolarHBondContact O-N 3.32Å; D476-D478 PolarHBondContact OD1-N 3.09Å; D476-L479 HydrophobicContact CB-CB 4.28Å; D476-L479 HydrophobicContact CB-CD1 4.02Å; D476-L479 HydrophobicContact CB-CG 4.16Å; D476-L479 PolarHBondContact O-N 3.05Å; D476-L479 VanDerWaalsContact O-N 3.09Å; D476-W480 VanDerWaalsContact O-CD1 3.26Å; D476-W480 PolarHBondContact O-N 2.59Å
477	P	77.2	Confident	71.6	Confident	61 Å²	61	58.1 Å²	58.1	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-50.7	-37.2	172.7	-25.2	34	0	0	0	113.5	S475 L479 W480 A481 P494	S475-P477 WeakPolarHBondContact O-CD 3.38Å; P477-L479 PolarHBondContact O-N 3.07Å; P477-W480 PolarHBondContact O-N 3.27Å; P477-A481 WeakPolarHBondContact O-CB 3.48Å; P477-A481 PolarHBondContact O-N 3.26Å; P477-P494 HydrophobicContact CB-CG 4.44Å; P477-P494 HydrophobicContact CG-CG 4.48Å
478	D	76.6	Confident	69.1	Low	126 Å²	126	60.6 Å²	60.6	67%	0.674	36%	0.361	S	S	*	.	H	α-helix	trans	-69.9	-17	-174.9	-57.6	-22.6	0	0	0	112.1	K84 D476	K84-D478 IonicContact NZ-OD1 3.36Å; K84-D478 IonicContact NZ-OD2 3.79Å; K84-D478 PolarHBondContact NZ-OD2 3.48Å; D476-D478 PolarHBondContact O-N 3.32Å; D476-D478 PolarHBondContact OD1-N 3.09Å
479	L	79.3	Confident	66.5	Low	39 Å²	39	65.9 Å²	65.9	20%	0.204	40%	0.398	C	S	.	.	H	α-helix	trans	-105.5	-28.1	178.6	-66	176.8	0	0	0	113.7	W103 Y473 D476 P477	W103-L479 HydrophobicContact CD2-CD1 4.48Å; W103-L479 HydrophobicContact CG-CD1 4.04Å; W103-L479 HydrophobicContact CZ2-CD2 4.28Å; Y473-L479 HydrophobicContact CD2-CD1 3.36Å; Y473-L479 HydrophobicContact CE2-CD1 3.32Å; D476-L479 HydrophobicContact CB-CB 4.28Å; D476-L479 HydrophobicContact CB-CD1 4.02Å; D476-L479 HydrophobicContact CB-CG 4.16Å; D476-L479 PolarHBondContact O-N 3.05Å; D476-L479 VanDerWaalsContact O-N 3.09Å; P477-L479 PolarHBondContact O-N 3.07Å
480	W	80.8	Confident	64.5	Low	6 Å²	6	69.6 Å²	69.6	2%	0.023	42%	0.421	C	S	.	.	H	α-helix	trans	-119.6	-10.7	-166.6	-64.2	102	0	0	0	114.5	R435 Y473 Y474 D476 P477 P494 R502 F503 P521 H523 W524	R435-W480 VanDerWaalsContact CD-CZ2 3.47Å; R435-W480 VanDerWaalsContact CD-CZ3 3.47Å; R435-W480 HydrophobicContact CG-CH2 3.9Å; R435-W480 HydrophobicContact CG-CZ2 3.79Å; R435-W480 HydrophobicContact CG-CZ3 4.47Å; Y473-W480 PolarHBondContact O-NE1 3Å; Y473-W480 VanDerWaalsContact O-NE1 3.17Å; Y474-W480 VanDerWaalsContact C-NE1 3.32Å; Y474-W480 PolarHBondContact O-NE1 3.03Å; D476-W480 VanDerWaalsContact O-CD1 3.26Å; D476-W480 PolarHBondContact O-N 2.59Å; P477-W480 PolarHBondContact O-N 3.27Å; W480-P494 HydrophobicContact CB-CB 3.83Å; W480-P494 HydrophobicContact CB-CG 3.96Å; W480-R502 VanDerWaalsContact CE3-CD 3.47Å; W480-R502 PolarHBondContact O-NH1 2.78Å; W480-F503 HydrophobicContact CH2-CE1 4.09Å; W480-F503 AromaticContact CH2-CZ 3.94Å; W480-F503 HydrophobicContact CH2-CZ 3.94Å; W480-F503 AromaticContact CZ3-CE1 3.68Å; W480-F503 HydrophobicContact CZ3-CE1 3.68Å; W480-F503 AromaticContact CZ3-CZ 3.56Å; W480-F503 HydrophobicContact CZ3-CZ 3.56Å; W480-P521 HydrophobicContact CZ3-CG 4.36Å; W480-H523 AromaticContact CE2-NE2 3.84Å; W480-H523 AromaticContact CZ2-NE2 3.68Å; W480-W524 HydrophobicContact CH2-CB 3.84Å; W480-W524 AromaticContact CH2-CD2 3.82Å; W480-W524 HydrophobicContact CH2-CD2 3.82Å; W480-W524 AromaticContact CH2-CE3 3.98Å; W480-W524 HydrophobicContact CH2-CE3 3.98Å; W480-W524 AromaticContact CH2-CG 3.75Å; W480-W524 HydrophobicContact CH2-CG 3.75Å; W480-W524 HydrophobicContact CZ2-CB 4.42Å; W480-W524 HydrophobicContact CZ2-CD2 4.31Å; W480-W524 HydrophobicContact CZ2-CE3 4Å; W480-W524 HydrophobicContact CZ2-CG 4.5Å
481	A	68.6	Low	62.8	Low	61 Å²	61	79.7 Å²	79.7	50%	0.504	47%	0.465	S	S	.	.	S	Bend	trans	-67.5	142.6	171.6	0	0	0	0	0	110.2	P477	P477-A481 WeakPolarHBondContact O-CB 3.48Å; P477-A481 PolarHBondContact O-N 3.26Å
482	A	57.3	Low	61.3	Low	88 Å²	88	84.7 Å²	84.7	73%	0.727	48%	0.484	S	S	*	.			trans	-66.3	137.9	169.7	0	0	0	0	0	108.6	E484	A482-E484 PolarHBondContact O-N 3.38Å
483	D	53.4	Low	60.7	Low	143 Å²	143	87.7 Å²	87.7	77%	0.765	50%	0.497	S	S	*	.			trans	-45.9	138.5	176.9	-72.4	-31.7	0	0	0	110.6	N485 G486	D483-N485 PolarHBondContact O-N 3.07Å; D483-G486 PolarHBondContact O-N 3.13Å
484	E	47	Very low	60	Low	197 Å²	197	87.3 Å²	87.3	92%	0.921	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-3.2	-169.3	-62.4	-174.9	151.2	0	0	116.2	A482	A482-E484 PolarHBondContact O-N 3.38Å
485	N	46	Very low	59.5	Low	155 Å²	155	88.1 Å²	88.1	83%	0.829	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	-177.9	-63	-30.3	0	0	0	114.5	D483	D483-N485 PolarHBondContact O-N 3.07Å
486	G	40.2	Very low	59.3	Low	57 Å²	57	93.3 Å²	93.3	59%	0.588	52%	0.518	S	S	*	.			trans	-89.6	102.7	172.8	0	0	0	0	0	112	D483 G488	D483-G486 PolarHBondContact O-N 3.13Å; G486-G488 PolarHBondContact O-N 2.74Å
487	E	34.7	Very low	59.7	Low	214 Å²	214	92.2 Å²	92.2	100%	1	51%	0.512	S	S	*	.			trans	-63.4	77.3	162.2	-74.9	-174.4	159.9	0	0	109.7
488	G	39	Very low	60.4	Low	53 Å²	53	89.3 Å²	89.3	55%	0.546	49%	0.493	S	S	.	.			trans	-137.6	130.4	176.5	0	0	0	0	0	108.2	G486 T490	G486-G488 PolarHBondContact O-N 2.74Å; G488-T490 PolarHBondContact O-N 3.17Å
489	S	33.4	Very low	61	Low	112 Å²	112	84.8 Å²	84.8	78%	0.783	47%	0.469	S	S	*	.			trans	-68	69.9	-179.7	59.4	0	0	0	0	111	Y492	S489-Y492 VanDerWaalsContact O-CE2 3.27Å; S489-Y492 WeakPolarHBondContact O-CE2 3.08Å
490	T	45.7	Very low	61.6	Low	78 Å²	78	83 Å²	83	48%	0.479	46%	0.46	S	S	.	.			trans	-133.1	84.5	163.9	54.7	0	0	0	0	113.2	G488 Y492 F574	G488-T490 PolarHBondContact O-N 3.17Å; T490-Y492 VanDerWaalsContact CA-CE2 3.5Å; T490-Y492 HydrophobicContact CG2-CD1 4.09Å; T490-Y492 HydrophobicContact CG2-CD2 3.38Å; T490-Y492 HydrophobicContact CG2-CE1 4.28Å; T490-Y492 HydrophobicContact CG2-CE2 3.51Å; T490-Y492 HydrophobicContact CG2-CG 3.59Å; T490-Y492 PolarHBondContact O-N 3.32Å; T490-F574 HydrophobicContact CG2-CE1 3.76Å; T490-F574 HydrophobicContact CG2-CZ 4.17Å
491	K	49	Very low	62	Low	215 Å²	215	85.3 Å²	85.3	94%	0.935	48%	0.477	S	S	*	.			trans	-56	31.9	147.8	-146.6	179	-167	176.9	0	112.9
492	Y	54.9	Low	62.9	Low	106 Å²	106	85.5 Å²	85.5	42%	0.416	47%	0.465	S	S	.	.			trans	-104.4	127.6	-157.9	-69.6	-131.1	0	0	0	109.7	S489 T490 V497 F574 M576	S489-Y492 VanDerWaalsContact O-CE2 3.27Å; S489-Y492 WeakPolarHBondContact O-CE2 3.08Å; T490-Y492 VanDerWaalsContact CA-CE2 3.5Å; T490-Y492 HydrophobicContact CG2-CD1 4.09Å; T490-Y492 HydrophobicContact CG2-CD2 3.38Å; T490-Y492 HydrophobicContact CG2-CE1 4.28Å; T490-Y492 HydrophobicContact CG2-CE2 3.51Å; T490-Y492 HydrophobicContact CG2-CG 3.59Å; T490-Y492 PolarHBondContact O-N 3.32Å; Y492-V497 HydrophobicContact CD1-CG2 3.69Å; Y492-V497 HydrophobicContact CG-CG2 4.18Å; Y492-F574 AromaticContact CD1-CE2 3.79Å; Y492-F574 HydrophobicContact CD1-CE2 3.79Å; Y492-F574 AromaticContact CD1-CZ 3.74Å; Y492-F574 HydrophobicContact CD1-CZ 3.74Å; Y492-F574 HydrophobicContact CE1-CE1 4.26Å; Y492-F574 AromaticContact CE1-CE2 3.41Å; Y492-F574 HydrophobicContact CE1-CE2 3.41Å; Y492-F574 VanDerWaalsContact CE1-CE2 3.41Å; Y492-F574 AromaticContact CE1-CZ 3.18Å; Y492-F574 HydrophobicContact CE1-CZ 3.18Å; Y492-F574 AromaticContact CZ-CZ 3.68Å; Y492-M576 HydrophobicContact CD1-SD 4.01Å; Y492-M576 HydrophobicContact CE1-SD 3.88Å
493	Q	68.3	Low	64.3	Low	73 Å²	73	81.3 Å²	81.3	34%	0.341	43%	0.43	S	S	.	.			trans	-77	122.2	-176.2	-48.9	172.5	-47	0	0	107.3	H495 R496	Q493-H495 WeakPolarHBondContact CB-CE1 3.39Å; Q493-H495 VanDerWaalsContact CB-ND1 3.32Å; Q493-H495 WeakPolarHBondContact CB-ND1 3.36Å; Q493-H495 VanDerWaalsContact CD-CE1 3.49Å; Q493-H495 PolarHBondContact O-N 3.26Å; Q493-H495 PolarHBondContact OE1-CE1 2.87Å; Q493-H495 VanDerWaalsContact OE1-CE1 3.23Å; Q493-H495 PolarHBondContact OE1-NE2 3.02Å; Q493-R496 HydrophobicContact CB-CG 4.44Å; Q493-R496 PolarHBondContact O-N 2.97Å; Q493-R496 VanDerWaalsContact OE1-CZ 3.23Å
494	P	67.5	Low	66	Low	6 Å²	6	75.6 Å²	75.6	4%	0.039	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-56.6	-19.1	-172.2	-26.4	32.9	0	0	0	115.4	R435 P477 W480 R496	R435-P494 PolarHBondContact NH1-O 3.24Å; R435-P494 PolarHBondContact NH2-O 3Å; R435-P494 VanDerWaalsContact NH2-O 3.08Å; P477-P494 HydrophobicContact CB-CG 4.44Å; P477-P494 HydrophobicContact CG-CG 4.48Å; W480-P494 HydrophobicContact CB-CB 3.83Å; W480-P494 HydrophobicContact CB-CG 3.96Å; P494-R496 VanDerWaalsContact C-N 3.31Å
495	H	72.1	Confident	67.8	Low	16 Å²	16	70.6 Å²	70.6	7%	0.074	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-74.9	-13.2	173.9	66.5	-88.7	0	0	0	115.3	T75 A79 Q493	T75-H495 HydrophobicContact CG2-CB 3.22Å; A79-H495 WeakPolarHBondContact CB-CE1 3.3Å; Q493-H495 WeakPolarHBondContact CB-CE1 3.39Å; Q493-H495 VanDerWaalsContact CB-ND1 3.32Å; Q493-H495 WeakPolarHBondContact CB-ND1 3.36Å; Q493-H495 VanDerWaalsContact CD-CE1 3.49Å; Q493-H495 PolarHBondContact O-N 3.26Å; Q493-H495 PolarHBondContact OE1-CE1 2.87Å; Q493-H495 VanDerWaalsContact OE1-CE1 3.23Å; Q493-H495 PolarHBondContact OE1-NE2 3.02Å
496	R	76.8	Confident	69.6	Low	121 Å²	121	70.6 Å²	70.6	46%	0.457	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-110	2.7	-177.5	-58.5	-164.5	178.4	-171.9	-0	113.3	Q493 P494 M576 W577	Q493-R496 HydrophobicContact CB-CG 4.44Å; Q493-R496 PolarHBondContact O-N 2.97Å; Q493-R496 VanDerWaalsContact OE1-CZ 3.23Å; P494-R496 VanDerWaalsContact C-N 3.31Å; R496-M576 HydrophobicContact CB-CE 3.93Å; R496-M576 CarbonylContact O-C 3.58Å; R496-M576 WeakPolarHBondContact O-CA 3.42Å; R496-M576 WeakPolarHBondContact O-CE 3.3Å; R496-W577 PolarHBondContact O-N 3.4Å
497	V	85.9	Confident	71.6	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.4	-173.9	-177.4	0	0	0	0	108.5	R435 Y492 D499 F574	R435-V497 PolarHBondContact NH2-O 3.09Å; Y492-V497 HydrophobicContact CD1-CG2 3.69Å; Y492-V497 HydrophobicContact CG-CG2 4.18Å; V497-D499 HydrophobicContact CG1-CB 3.91Å; V497-F574 HydrophobicContact CG1-CB 3.47Å; V497-F574 VanDerWaalsContact CG1-CB 3.47Å; V497-F574 HydrophobicContact CG1-CD1 4.38Å; V497-F574 HydrophobicContact CG1-CD2 3.64Å; V497-F574 HydrophobicContact CG1-CG 3.56Å; V497-F574 HydrophobicContact CG2-CD2 4.39Å
498	F	91.1	Very high	73.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.3	167.7	-170.5	-61.2	0	0	0	107.3	T368 V372 W379 L429 E432 T433 L436 P500 L575 W577	T368-F498 HydrophobicContact CG2-CE2 4.17Å; V372-F498 HydrophobicContact CB-CZ 4.49Å; V372-F498 HydrophobicContact CG1-CD1 4.22Å; V372-F498 HydrophobicContact CG1-CE1 3.88Å; V372-F498 HydrophobicContact CG1-CZ 4.05Å; V372-F498 HydrophobicContact CG2-CD2 4.06Å; V372-F498 HydrophobicContact CG2-CE2 3.87Å; V372-F498 HydrophobicContact CG2-CZ 4.18Å; W379-F498 HydrophobicContact CH2-CD1 4.17Å; W379-F498 AromaticContact CZ3-CD1 3.79Å; W379-F498 HydrophobicContact CZ3-CD1 3.79Å; W379-F498 AromaticContact CZ3-CE1 3.95Å; W379-F498 HydrophobicContact CZ3-CE1 3.95Å; L429-F498 HydrophobicContact CD1-CE1 3.77Å; L429-F498 HydrophobicContact CD1-CZ 4.06Å; E432-F498 HydrophobicContact CB-CE1 4.17Å; E432-F498 HydrophobicContact CB-CZ 4.26Å; E432-F498 HydrophobicContact CG-CD1 3.79Å; E432-F498 HydrophobicContact CG-CD2 4.33Å; E432-F498 HydrophobicContact CG-CE1 3.8Å; E432-F498 HydrophobicContact CG-CE2 4.35Å; E432-F498 HydrophobicContact CG-CG 4.04Å; E432-F498 HydrophobicContact CG-CZ 4.08Å; T433-F498 VanDerWaalsContact OG1-CZ 3.27Å; T433-F498 WeakPolarHBondContact OG1-CZ 3.05Å; L436-F498 HydrophobicContact CD1-CB 3.78Å; L436-F498 HydrophobicContact CD1-CD2 3.37Å; L436-F498 HydrophobicContact CD1-CE2 4.17Å; L436-F498 HydrophobicContact CD1-CG 3.82Å; F498-P500 HydrophobicContact CD1-CG 4.3Å; F498-P500 HydrophobicContact CE1-CG 3.85Å; F498-L575 HydrophobicContact CB-CB 4.22Å; F498-L575 PolarHBondContact N-O 3.49Å; F498-L575 PolarHBondContact O-N 2.74Å; F498-W577 HydrophobicContact CB-CB 4.44Å; F498-W577 HydrophobicContact CB-CE3 4.34Å; F498-W577 AromaticContact CD2-CE3 3.77Å; F498-W577 HydrophobicContact CD2-CE3 3.77Å; F498-W577 AromaticContact CD2-CZ3 3.93Å; F498-W577 HydrophobicContact CD2-CZ3 3.93Å; F498-W577 HydrophobicContact CE2-CZ3 4.44Å
499	D	90.7	Very high	75.4	Confident	32 Å²	32	65.8 Å²	65.8	17%	0.171	33%	0.332	C	S	.	.			trans	-140.3	99.4	-175.8	179.7	10.7	0	0	0	111.5	E432 V497 S501 R502 F574	E432-D499 PolarHBondContact OE1-N 3.27Å; V497-D499 HydrophobicContact CG1-CB 3.91Å; D499-S501 PolarHBondContact O-N 3.05Å; D499-S501 VanDerWaalsContact OD1-CB 3.23Å; D499-S501 WeakPolarHBondContact OD1-CB 3.41Å; D499-S501 PolarHBondContact OD1-N 3.36Å; D499-S501 PolarHBondContact OD1-OG 3.19Å; D499-S501 PolarHBondContact OD2-OG 2.88Å; D499-R502 WeakPolarHBondContact O-CB 3.2Å; D499-R502 PolarHBondContact O-N 3.49Å; D499-F574 HydrophobicContact CB-CB 3.92Å
500	P	91.3	Very high	77.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26.1	175.2	-24.9	36.7	0	0	0	113.5	W379 A428 L429 F498 R502 F503	W379-P500 HydrophobicContact CE3-CG 4.39Å; W379-P500 HydrophobicContact CH2-CG 4.24Å; W379-P500 HydrophobicContact CZ3-CG 4.09Å; A428-P500 HydrophobicContact CB-CB 4.16Å; A428-P500 WeakPolarHBondContact CB-O 3.29Å; L429-P500 HydrophobicContact CD1-CG 3.8Å; F498-P500 HydrophobicContact CD1-CG 4.3Å; F498-P500 HydrophobicContact CE1-CG 3.85Å; P500-R502 PolarHBondContact O-N 3.24Å; P500-F503 PolarHBondContact O-N 3.32Å
501	S	88.7	Confident	78.1	Confident	56 Å²	56	65.3 Å²	65.3	39%	0.392	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.4	-174.8	76.7	0	0	0	0	112.8	D499 F503 I504	D499-S501 PolarHBondContact O-N 3.05Å; D499-S501 VanDerWaalsContact OD1-CB 3.23Å; D499-S501 WeakPolarHBondContact OD1-CB 3.41Å; D499-S501 PolarHBondContact OD1-N 3.36Å; D499-S501 PolarHBondContact OD1-OG 3.19Å; D499-S501 PolarHBondContact OD2-OG 2.88Å; S501-F503 PolarHBondContact O-N 3.24Å; S501-F503 VanDerWaalsContact O-N 3.14Å; S501-I504 PolarHBondContact O-N 3.04Å
502	R	87.7	Confident	78.7	Confident	65 Å²	65	63.3 Å²	63.3	25%	0.245	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-56	-27.5	172.9	-161.1	-174.2	-45.2	-68.5	-15.3	113.8	E432 W480 D499 P500	E432-R502 IonicContact OE1-NH2 2.74Å; W480-R502 VanDerWaalsContact CE3-CD 3.47Å; W480-R502 PolarHBondContact O-NH1 2.78Å; D499-R502 WeakPolarHBondContact O-CB 3.2Å; D499-R502 PolarHBondContact O-N 3.49Å; P500-R502 PolarHBondContact O-N 3.24Å
503	F	88	Confident	79.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-100.6	12.1	179.2	-60.1	-72.9	0	0	0	113	A428 Q431 E432 W480 P500 S501 L518 S519 L520 W524	A428-F503 HydrophobicContact CB-CB 4.04Å; Q431-F503 HydrophobicContact CB-CD1 4.33Å; Q431-F503 HydrophobicContact CB-CD2 3.78Å; Q431-F503 HydrophobicContact CB-CE1 4.32Å; Q431-F503 HydrophobicContact CB-CE2 3.8Å; Q431-F503 HydrophobicContact CB-CG 4.04Å; Q431-F503 HydrophobicContact CB-CZ 4.05Å; E432-F503 HydrophobicContact CB-CD2 4.33Å; E432-F503 HydrophobicContact CB-CE2 3.95Å; E432-F503 WeakPolarHBondContact OE2-CE2 3.44Å; W480-F503 HydrophobicContact CH2-CE1 4.09Å; W480-F503 AromaticContact CH2-CZ 3.94Å; W480-F503 HydrophobicContact CH2-CZ 3.94Å; W480-F503 AromaticContact CZ3-CE1 3.68Å; W480-F503 HydrophobicContact CZ3-CE1 3.68Å; W480-F503 AromaticContact CZ3-CZ 3.56Å; W480-F503 HydrophobicContact CZ3-CZ 3.56Å; P500-F503 PolarHBondContact O-N 3.32Å; S501-F503 PolarHBondContact O-N 3.24Å; S501-F503 VanDerWaalsContact O-N 3.14Å; F503-L518 HydrophobicContact CB-CD1 4.04Å; F503-L518 CarbonylContact O-C 3.52Å; F503-L518 WeakPolarHBondContact O-CA 3.35Å; F503-S519 CarbonylContact C-O 3.53Å; F503-S519 VanDerWaalsContact CA-O 3.31Å; F503-S519 WeakPolarHBondContact CA-O 3.02Å; F503-S519 PolarHBondContact O-N 3.13Å; F503-L520 HydrophobicContact CB-CD2 4.44Å; F503-L520 HydrophobicContact CD1-CD2 3.64Å; F503-L520 HydrophobicContact CE1-CD2 4.23Å; F503-L520 HydrophobicContact CG-CD2 4.3Å; F503-W524 AromaticContact CE1-CD1 3.55Å; F503-W524 HydrophobicContact CE1-CG 4.24Å; F503-W524 AromaticContact CE1-NE1 3.83Å
504	I	87.4	Confident	79.4	Confident	22 Å²	22	61.9 Å²	61.9	11%	0.113	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.6	-173	-58.1	178.9	0	0	0	109.4	V424 W425 A428 S501 L516 E517	V424-I504 HydrophobicContact CG1-CG1 4.26Å; V424-I504 HydrophobicContact CG1-CG2 4.26Å; W425-I504 HydrophobicContact CD2-CD1 4.01Å; W425-I504 HydrophobicContact CE3-CD1 3.13Å; W425-I504 HydrophobicContact CH2-CD1 4.29Å; W425-I504 HydrophobicContact CZ3-CD1 3.3Å; A428-I504 HydrophobicContact CB-CD1 3.66Å; A428-I504 HydrophobicContact CB-CG1 3.58Å; S501-I504 PolarHBondContact O-N 3.04Å; I504-L516 HydrophobicContact CG2-CB 4.1Å; I504-L516 HydrophobicContact CG2-CD2 3.93Å; I504-L516 HydrophobicContact CG2-CG 4.41Å; I504-E517 WeakPolarHBondContact CA-O 3.18Å
505	E	85.1	Confident	79.9	Confident	92 Å²	92	66 Å²	66	43%	0.43	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.1	171.2	-169.5	168.2	176	0	0	109.6	L507 L516 E517	E505-L507 HydrophobicContact CG-CD2 4.13Å; E505-L507 HydrophobicContact CG-CG 4.39Å; E505-L516 WeakPolarHBondContact O-CA 3.41Å; E505-E517 PolarHBondContact N-O 2.61Å; E505-E517 PolarHBondContact O-N 3.11Å
506	K	85	Confident	80.5	Confident	155 Å²	155	68.1 Å²	68.1	67%	0.674	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.6	177.1	-65.2	-175.9	-179.7	175.1	0	108.7	L516	K506-L516 HydrophobicContact CD-CD2 4.46Å; K506-L516 HydrophobicContact CG-CD2 3.71Å
507	L	81.2	Confident	80.8	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.283	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.1	178.1	-64.1	175.1	0	0	0	110.3	E505 T509 T514 M515 E517	E505-L507 HydrophobicContact CG-CD2 4.13Å; E505-L507 HydrophobicContact CG-CG 4.39Å; L507-T509 PolarHBondContact O-N 2.9Å; L507-T514 CarbonylContact O-C 3.59Å; L507-T514 WeakPolarHBondContact O-CA 3.48Å; L507-M515 PolarHBondContact N-O 3.24Å; L507-M515 PolarHBondContact O-N 3.35Å; L507-E517 HydrophobicContact CD1-CB 4.46Å; L507-E517 HydrophobicContact CD1-CG 3.84Å; L507-E517 WeakPolarHBondContact CD1-OE2 3.41Å
508	P	78.5	Confident	80.7	Confident	115 Å²	115	68.3 Å²	68.3	75%	0.747	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	128	173.9	28.1	-32	0	0	0	109.9
509	T	74.7	Confident	80.4	Confident	55 Å²	55	70.7 Å²	70.7	34%	0.337	41%	0.414	S	S	.	.			trans	-105.4	157.6	170.7	44.4	0	0	0	0	111	L507 G511 S513 M515	L507-T509 PolarHBondContact O-N 2.9Å; T509-G511 PolarHBondContact O-N 2.9Å; T509-G511 VanDerWaalsContact O-N 3.12Å; T509-S513 PolarHBondContact N-O 3.02Å; T509-S513 WeakPolarHBondContact OG1-CB 3.48Å; T509-S513 PolarHBondContact OG1-O 2.82Å; T509-S513 PolarHBondContact OG1-OG 3.5Å; T509-M515 HydrophobicContact CG2-CB 3.66Å
510	A	69.6	Low	80.1	Confident	108 Å²	108	70.8 Å²	70.8	89%	0.893	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	119.5	175.4	0	0	0	0	0	110
511	G	66.9	Low	79.7	Confident	71 Å²	71	72.8 Å²	72.8	73%	0.732	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.2	26.1	178.2	0	0	0	0	0	116.9	T509 S513	T509-G511 PolarHBondContact O-N 2.9Å; T509-G511 VanDerWaalsContact O-N 3.12Å; G511-S513 PolarHBondContact O-N 3.43Å; G511-S513 VanDerWaalsContact O-N 3.1Å
512	N	62	Low	79.2	Confident	174 Å²	174	76.2 Å²	76.2	93%	0.93	45%	0.445	S	S	*	.	S	Bend	trans	60.2	13.9	-179	-65.9	-10.5	0	0	0	114.8
513	S	64.4	Low	78.7	Confident	59 Å²	59	74.9 Å²	74.9	41%	0.413	44%	0.442	S	S	.	.			trans	-84.5	153.9	167.2	43.9	0	0	0	0	110.1	T509 G511	T509-S513 PolarHBondContact N-O 3.02Å; T509-S513 WeakPolarHBondContact OG1-CB 3.48Å; T509-S513 PolarHBondContact OG1-O 2.82Å; T509-S513 PolarHBondContact OG1-OG 3.5Å; G511-S513 PolarHBondContact O-N 3.43Å; G511-S513 VanDerWaalsContact O-N 3.1Å
514	T	72.2	Confident	78.5	Confident	90 Å²	90	74.9 Å²	74.9	55%	0.552	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.4	172.1	53.5	0	0	0	0	108.8	L507	L507-T514 CarbonylContact O-C 3.59Å; L507-T514 WeakPolarHBondContact O-CA 3.48Å
515	M	79.6	Confident	78	Confident	93 Å²	93	75 Å²	75	46%	0.458	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.2	166.8	-178.2	165.7	170.7	0	0	108.4	L507 T509 E517	L507-M515 PolarHBondContact N-O 3.24Å; L507-M515 PolarHBondContact O-N 3.35Å; T509-M515 HydrophobicContact CG2-CB 3.66Å; M515-E517 HydrophobicContact CE-CG 4.09Å; M515-E517 WeakPolarHBondContact CE-OE1 3.38Å; M515-E517 HydrophobicContact CG-CG 4.33Å
516	L	83.5	Confident	77.5	Confident	60 Å²	60	74.1 Å²	74.1	31%	0.314	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.9	171.9	-57.4	-177.6	0	0	0	107.9	V424 I504 E505 K506	V424-L516 HydrophobicContact CB-CB 4.34Å; V424-L516 HydrophobicContact CG1-CB 3.91Å; V424-L516 WeakPolarHBondContact CG2-O 3.49Å; I504-L516 HydrophobicContact CG2-CB 4.1Å; I504-L516 HydrophobicContact CG2-CD2 3.93Å; I504-L516 HydrophobicContact CG2-CG 4.41Å; E505-L516 WeakPolarHBondContact O-CA 3.41Å; K506-L516 HydrophobicContact CD-CD2 4.46Å; K506-L516 HydrophobicContact CG-CD2 3.71Å
517	E	83.8	Confident	77.1	Confident	81 Å²	81	66.9 Å²	66.9	38%	0.379	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.6	171.4	-68.9	-166	174.3	0	0	110.2	I504 E505 L507 M515 S519	I504-E517 WeakPolarHBondContact CA-O 3.18Å; E505-E517 PolarHBondContact N-O 2.61Å; E505-E517 PolarHBondContact O-N 3.11Å; L507-E517 HydrophobicContact CD1-CB 4.46Å; L507-E517 HydrophobicContact CD1-CG 3.84Å; L507-E517 WeakPolarHBondContact CD1-OE2 3.41Å; M515-E517 HydrophobicContact CE-CG 4.09Å; M515-E517 WeakPolarHBondContact CE-OE1 3.38Å; M515-E517 HydrophobicContact CG-CG 4.33Å; E517-S519 PolarHBondContact O-N 3.02Å
518	L	84.5	Confident	76.7	Confident	52 Å²	52	64.4 Å²	64.4	27%	0.272	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.8	173.1	-175.7	79.4	0	0	0	108.5	V424 K427 A428 F503 L520	V424-L518 HydrophobicContact CG1-CB 4.44Å; K427-L518 HydrophobicContact CB-CD1 4.01Å; K427-L518 HydrophobicContact CB-CD2 3.89Å; K427-L518 HydrophobicContact CD-CD2 3.98Å; A428-L518 HydrophobicContact CB-CD1 3.97Å; F503-L518 HydrophobicContact CB-CD1 4.04Å; F503-L518 CarbonylContact O-C 3.52Å; F503-L518 WeakPolarHBondContact O-CA 3.35Å; L518-L520 HydrophobicContact CD1-CD2 4.38Å; L518-L520 HydrophobicContact CD2-CD1 4.49Å; L518-L520 HydrophobicContact CD2-CD2 4.26Å; L518-L520 HydrophobicContact CD2-CG 4.35Å; L518-L520 HydrophobicContact CG-CD2 4.16Å; L518-L520 HydrophobicContact CG-CG 4.4Å
519	S	84.4	Confident	76.4	Confident	50 Å²	50	62.9 Å²	62.9	35%	0.35	38%	0.379	S	S	.	.			trans	-112.8	118.5	177.7	-167.6	0	0	0	0	109.5	F503 E517	F503-S519 CarbonylContact C-O 3.53Å; F503-S519 VanDerWaalsContact CA-O 3.31Å; F503-S519 WeakPolarHBondContact CA-O 3.02Å; F503-S519 PolarHBondContact O-N 3.13Å; E517-S519 PolarHBondContact O-N 3.02Å
520	L	83.2	Confident	76.1	Confident	35 Å²	35	65.6 Å²	65.6	18%	0.183	39%	0.388	C	S	.	.			trans	-108.7	125.7	178.9	-58.1	179.9	0	0	0	109.2	Q431 F503 L518 V522 A525 F529	Q431-L520 HydrophobicContact CB-CD2 4.48Å; Q431-L520 HydrophobicContact CG-CD2 3.82Å; F503-L520 HydrophobicContact CB-CD2 4.44Å; F503-L520 HydrophobicContact CD1-CD2 3.64Å; F503-L520 HydrophobicContact CE1-CD2 4.23Å; F503-L520 HydrophobicContact CG-CD2 4.3Å; L518-L520 HydrophobicContact CD1-CD2 4.38Å; L518-L520 HydrophobicContact CD2-CD1 4.49Å; L518-L520 HydrophobicContact CD2-CD2 4.26Å; L518-L520 HydrophobicContact CD2-CG 4.35Å; L518-L520 HydrophobicContact CG-CD2 4.16Å; L518-L520 HydrophobicContact CG-CG 4.4Å; L520-V522 PolarHBondContact O-N 3.29Å; L520-A525 HydrophobicContact CB-CB 4.14Å; L520-F529 HydrophobicContact CD1-CE2 3.74Å; L520-F529 HydrophobicContact CD1-CZ 4.02Å
521	P	82.7	Confident	76.4	Confident	42 Å²	42	61.5 Å²	61.5	27%	0.273	35%	0.349	S	S	.	.			trans	-54.7	138.8	170	-24.8	33.6	0	0	0	110.8	W480 H523 W524 A525	W480-P521 HydrophobicContact CZ3-CG 4.36Å; P521-H523 WeakPolarHBondContact CB-CE1 3.35Å; P521-H523 PolarHBondContact O-N 3.33Å; P521-H523 VanDerWaalsContact O-N 3.13Å; P521-W524 HydrophobicContact CB-CB 4.34Å; P521-W524 CarbonylContact O-C 3.56Å; P521-W524 WeakPolarHBondContact O-CA 3.49Å; P521-W524 WeakPolarHBondContact O-CB 3.32Å; P521-W524 PolarHBondContact O-N 3.14Å; P521-A525 PolarHBondContact O-N 3.07Å
522	V	78.1	Confident	76.8	Confident	127 Å²	127	60.8 Å²	60.8	77%	0.77	33%	0.325	S	S	*	.	H	α-helix	trans	-52.4	-41.7	-175.3	176.8	0	0	0	0	112.1	L520 W524 A525 H526	L520-V522 PolarHBondContact O-N 3.29Å; V522-W524 VanDerWaalsContact C-N 3.29Å; V522-W524 PolarHBondContact O-N 3.48Å; V522-A525 PolarHBondContact O-N 2.85Å; V522-H526 WeakPolarHBondContact O-CB 3.4Å; V522-H526 PolarHBondContact O-N 3.06Å
523	H	78.7	Confident	77.7	Confident	38 Å²	38	52.9 Å²	52.9	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-33.8	179.2	68.5	-101.5	0	0	0	112.6	Y473 W480 P521 N527	Y473-H523 AromaticContact CZ-CD2 3.93Å; Y473-H523 WeakPolarHBondContact OH-CB 3.08Å; Y473-H523 PolarHBondContact OH-CD2 3.29Å; Y473-H523 VanDerWaalsContact OH-CD2 3.25Å; Y473-H523 PolarHBondContact OH-O 3.44Å; W480-H523 AromaticContact CE2-NE2 3.84Å; W480-H523 AromaticContact CZ2-NE2 3.68Å; P521-H523 WeakPolarHBondContact CB-CE1 3.35Å; P521-H523 PolarHBondContact O-N 3.33Å; P521-H523 VanDerWaalsContact O-N 3.13Å; H523-N527 PolarHBondContact O-N 3.07Å
524	W	83.9	Confident	78.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-81.6	-39.7	176.9	-178.9	-112.5	0	0	0	112.1	L434 R435 Y474 W480 F503 P521 V522 H526 N527 V528	L434-W524 HydrophobicContact CB-CH2 4.2Å; L434-W524 HydrophobicContact CB-CZ2 3.94Å; R435-W524 VanDerWaalsContact CA-CH2 3.49Å; R435-W524 HydrophobicContact CB-CH2 3.98Å; R435-W524 HydrophobicContact CB-CZ2 4.14Å; R435-W524 HydrophobicContact CB-CZ3 4.37Å; Y474-W524 HydrophobicContact CD1-CE3 4.01Å; Y474-W524 AromaticContact CD1-CZ3 3.58Å; Y474-W524 HydrophobicContact CD1-CZ3 3.58Å; Y474-W524 HydrophobicContact CD2-CZ3 4.47Å; Y474-W524 HydrophobicContact CE1-CE3 4.03Å; Y474-W524 AromaticContact CE1-CZ3 3.53Å; Y474-W524 HydrophobicContact CE1-CZ3 3.53Å; Y474-W524 HydrophobicContact CE2-CZ3 4.46Å; Y474-W524 HydrophobicContact CG-CZ3 4.1Å; W480-W524 HydrophobicContact CH2-CB 3.84Å; W480-W524 AromaticContact CH2-CD2 3.82Å; W480-W524 HydrophobicContact CH2-CD2 3.82Å; W480-W524 AromaticContact CH2-CE3 3.98Å; W480-W524 HydrophobicContact CH2-CE3 3.98Å; W480-W524 AromaticContact CH2-CG 3.75Å; W480-W524 HydrophobicContact CH2-CG 3.75Å; W480-W524 HydrophobicContact CZ2-CB 4.42Å; W480-W524 HydrophobicContact CZ2-CD2 4.31Å; W480-W524 HydrophobicContact CZ2-CE3 4Å; W480-W524 HydrophobicContact CZ2-CG 4.5Å; F503-W524 AromaticContact CE1-CD1 3.55Å; F503-W524 HydrophobicContact CE1-CG 4.24Å; F503-W524 AromaticContact CE1-NE1 3.83Å; P521-W524 HydrophobicContact CB-CB 4.34Å; P521-W524 CarbonylContact O-C 3.56Å; P521-W524 WeakPolarHBondContact O-CA 3.49Å; P521-W524 WeakPolarHBondContact O-CB 3.32Å; P521-W524 PolarHBondContact O-N 3.14Å; V522-W524 VanDerWaalsContact C-N 3.29Å; V522-W524 PolarHBondContact O-N 3.48Å; W524-H526 VanDerWaalsContact C-N 3.31Å; W524-H526 PolarHBondContact O-N 3.49Å; W524-N527 HydrophobicContact CE3-CB 4.21Å; W524-N527 WeakPolarHBondContact CZ3-ND2 3.41Å; W524-N527 WeakPolarHBondContact O-CB 3.5Å; W524-N527 PolarHBondContact O-N 3.46Å; W524-N527 VanDerWaalsContact O-N 3.09Å; W524-V528 HydrophobicContact CD2-CG2 4.06Å; W524-V528 VanDerWaalsContact CE2-CG2 3.46Å; W524-V528 HydrophobicContact CG-CG2 4.47Å; W524-V528 HydrophobicContact CH2-CG2 4.3Å; W524-V528 HydrophobicContact CZ2-CG2 3.6Å; W524-V528 PolarHBondContact O-N 2.99Å
525	A	77	Confident	79.2	Confident	23 Å²	23	46.3 Å²	46.3	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-44.6	173.6	0	0	0	0	0	111.1	L520 P521 V522 N527 V528 F529	L520-A525 HydrophobicContact CB-CB 4.14Å; P521-A525 PolarHBondContact O-N 3.07Å; V522-A525 PolarHBondContact O-N 2.85Å; A525-N527 VanDerWaalsContact C-N 3.3Å; A525-N527 PolarHBondContact O-N 3.38Å; A525-V528 PolarHBondContact O-N 2.95Å; A525-F529 HydrophobicContact CB-CD2 4.13Å; A525-F529 HydrophobicContact CB-CE2 4.25Å; A525-F529 WeakPolarHBondContact O-CB 3.22Å; A525-F529 WeakPolarHBondContact O-CD2 3.29Å; A525-F529 PolarHBondContact O-N 3.12Å
526	H	73.6	Confident	79.6	Confident	75 Å²	75	41.9 Å²	41.9	35%	0.347	22%	0.218	S	C	.	.	H	α-helix	trans	-56.6	-44.8	173.3	179	75.9	0	0	0	111.7	V522 W524 Q530	V522-H526 WeakPolarHBondContact O-CB 3.4Å; V522-H526 PolarHBondContact O-N 3.06Å; W524-H526 VanDerWaalsContact C-N 3.31Å; W524-H526 PolarHBondContact O-N 3.49Å; H526-Q530 PolarHBondContact CE1-OE1 3.28Å; H526-Q530 PolarHBondContact ND1-OE1 3.45Å; H526-Q530 WeakPolarHBondContact O-CA 3.11Å; H526-Q530 VanDerWaalsContact O-CB 3.29Å; H526-Q530 WeakPolarHBondContact O-CB 3.46Å; H526-Q530 PolarHBondContact O-N 3.23Å
527	N	77.1	Confident	79.7	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-51.3	177.9	-169.4	48.8	0	0	0	112.1	Y474 H523 W524 A525 R531 Y538	Y474-N527 WeakPolarHBondContact CE1-ND2 3.43Å; Y474-N527 VanDerWaalsContact OH-CG 3.31Å; Y474-N527 PolarHBondContact OH-ND2 2.71Å; Y474-N527 PolarHBondContact OH-OD1 3.29Å; Y474-N527 VanDerWaalsContact OH-OD1 3.04Å; H523-N527 PolarHBondContact O-N 3.07Å; W524-N527 HydrophobicContact CE3-CB 4.21Å; W524-N527 WeakPolarHBondContact CZ3-ND2 3.41Å; W524-N527 WeakPolarHBondContact O-CB 3.5Å; W524-N527 PolarHBondContact O-N 3.46Å; W524-N527 VanDerWaalsContact O-N 3.09Å; A525-N527 VanDerWaalsContact C-N 3.3Å; A525-N527 PolarHBondContact O-N 3.38Å; N527-R531 VanDerWaalsContact O-CB 3.26Å; N527-R531 WeakPolarHBondContact O-CB 3.41Å; N527-R531 PolarHBondContact O-N 2.92Å; N527-R531 VanDerWaalsContact OD1-CD 3.24Å; N527-R531 WeakPolarHBondContact OD1-CD 2.96Å; N527-R531 PolarHBondContact OD1-NH1 2.88Å; N527-Y538 VanDerWaalsContact O-CD2 3.23Å; N527-Y538 WeakPolarHBondContact O-CD2 3.45Å; N527-Y538 WeakPolarHBondContact OD1-CE2 3.3Å
528	V	73.4	Confident	79.8	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-38.4	-175.6	176.6	0	0	0	0	112.7	W524 A525 Y538 Q539 Y542	W524-V528 HydrophobicContact CD2-CG2 4.06Å; W524-V528 VanDerWaalsContact CE2-CG2 3.46Å; W524-V528 HydrophobicContact CG-CG2 4.47Å; W524-V528 HydrophobicContact CH2-CG2 4.3Å; W524-V528 HydrophobicContact CZ2-CG2 3.6Å; W524-V528 PolarHBondContact O-N 2.99Å; A525-V528 PolarHBondContact O-N 2.95Å; V528-Y538 CarbonylContact O-C 3.54Å; V528-Y538 WeakPolarHBondContact O-CB 3.15Å; V528-Q539 PolarHBondContact O-N 3.24Å; V528-Q539 VanDerWaalsContact O-N 3.08Å; V528-Y542 HydrophobicContact CG1-CG 4.39Å
529	F	71.1	Confident	79.8	Confident	83 Å²	83	36.8 Å²	36.8	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-97.3	-18.7	-171.7	-60.9	-59.5	0	0	0	114.7	L520 A525	L520-F529 HydrophobicContact CD1-CE2 3.74Å; L520-F529 HydrophobicContact CD1-CZ 4.02Å; A525-F529 HydrophobicContact CB-CD2 4.13Å; A525-F529 HydrophobicContact CB-CE2 4.25Å; A525-F529 WeakPolarHBondContact O-CB 3.22Å; A525-F529 WeakPolarHBondContact O-CD2 3.29Å; A525-F529 PolarHBondContact O-N 3.12Å
530	Q	69.5	Low	80	Confident	113 Å²	113	34.7 Å²	34.7	53%	0.528	18%	0.176	S	C	.	.	H	α-helix	trans	-124.2	-14.5	-175	-55.7	-174.8	-3.3	0	0	113.8	H526 Y532	H526-Q530 PolarHBondContact CE1-OE1 3.28Å; H526-Q530 PolarHBondContact ND1-OE1 3.45Å; H526-Q530 WeakPolarHBondContact O-CA 3.11Å; H526-Q530 VanDerWaalsContact O-CB 3.29Å; H526-Q530 WeakPolarHBondContact O-CB 3.46Å; H526-Q530 PolarHBondContact O-N 3.23Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.45Å; Q530-Y532 WeakPolarHBondContact O-CE2 3.36Å
531	R	75.8	Confident	80.3	Confident	22 Å²	22	33.1 Å²	33.1	8%	0.083	17%	0.168	C	C	.	.			trans	-93	156.9	177.5	-61.8	-168.9	62.7	-131.1	6.8	112.6	D110 E470 Y474 N527 Y538	D110-R531 IonicContact OD1-NH2 3.09Å; D110-R531 IonicContact OD2-NE 2.73Å; D110-R531 IonicContact OD2-NH2 3.59Å; E470-R531 IonicContact OE1-CZ 2.89Å; E470-R531 IonicContact OE1-NH1 2.76Å; E470-R531 PolarHBondContact OE1-NH1 2.8Å; E470-R531 IonicContact OE1-NH2 3.11Å; E470-R531 PolarHBondContact OE1-NH2 3.38Å; E470-R531 IonicContact OE2-NH1 3.61Å; Y474-R531 PolarHBondContact OH-NH1 3.22Å; N527-R531 VanDerWaalsContact O-CB 3.26Å; N527-R531 WeakPolarHBondContact O-CB 3.41Å; N527-R531 PolarHBondContact O-N 2.92Å; N527-R531 VanDerWaalsContact OD1-CD 3.24Å; N527-R531 WeakPolarHBondContact OD1-CD 2.96Å; N527-R531 PolarHBondContact OD1-NH1 2.88Å; R531-Y538 HydrophobicContact CB-CD2 4.37Å; R531-Y538 HydrophobicContact CB-CE2 4.32Å; R531-Y538 PolarHBondContact O-N 3.37Å; R531-Y538 VanDerWaalsContact O-N 3.13Å
532	Y	74.7	Confident	80.6	Confident	56 Å²	56	31.9 Å²	31.9	22%	0.22	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-129.3	152.8	-178.2	-52.9	-90.1	0	0	0	107.6	L151 Q530 P537	L151-Y532 HydrophobicContact CD1-CD2 4.26Å; L151-Y532 HydrophobicContact CD1-CE1 4.36Å; L151-Y532 HydrophobicContact CD1-CE2 3.69Å; L151-Y532 HydrophobicContact CD2-CD1 3.26Å; L151-Y532 HydrophobicContact CD2-CD2 3.99Å; L151-Y532 HydrophobicContact CD2-CE1 3.23Å; L151-Y532 HydrophobicContact CD2-CE2 3.9Å; L151-Y532 HydrophobicContact CD2-CG 3.7Å; L151-Y532 HydrophobicContact CG-CE1 4.22Å; L151-Y532 HydrophobicContact CG-CE2 4.39Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.45Å; Q530-Y532 WeakPolarHBondContact O-CE2 3.36Å; Y532-P537 HydrophobicContact CD1-CB 3.48Å; Y532-P537 VanDerWaalsContact CD1-CB 3.48Å; Y532-P537 HydrophobicContact CD1-CG 3.62Å; Y532-P537 HydrophobicContact CE1-CB 3.48Å; Y532-P537 VanDerWaalsContact CE1-CB 3.48Å; Y532-P537 HydrophobicContact CE1-CG 3.59Å
533	T	79.6	Confident	81.1	Confident	8 Å²	8	27.1 Å²	27.1	5%	0.049	13%	0.128	C	C	.	.	S	Bend	trans	-65.3	-78	170.6	50.9	0	0	0	0	110.1	I357 I361 V536 Y538	I357-T533 HydrophobicContact CG2-CG2 3.86Å; I361-T533 HydrophobicContact CD1-CG2 3.43Å; I361-T533 VanDerWaalsContact CD1-CG2 3.43Å; T533-V536 PolarHBondContact N-O 3.33Å; T533-V536 WeakPolarHBondContact OG1-CB 3.2Å; T533-V536 PolarHBondContact OG1-N 2.8Å; T533-V536 VanDerWaalsContact OG1-N 3.11Å; T533-V536 PolarHBondContact OG1-O 3.04Å; T533-Y538 HydrophobicContact CG2-CD1 3.91Å; T533-Y538 HydrophobicContact CG2-CE1 3.52Å
534	V	83	Confident	81.7	Confident	10 Å²	10	25.4 Å²	25.4	6%	0.061	12%	0.12	C	C	.	.	S	Bend	trans	-138.1	-56.3	169.4	-179.2	0	0	0	0	107.6	L117 L133 M134 I357 F443	L117-V534 HydrophobicContact CD1-CG1 4.06Å; L117-V534 HydrophobicContact CD2-CG1 4.33Å; L117-V534 HydrophobicContact CD2-CG2 4.05Å; L133-V534 HydrophobicContact CB-CG1 3.99Å; L133-V534 WeakPolarHBondContact O-CG1 3.11Å; M134-V534 HydrophobicContact CB-CB 4.33Å; M134-V534 HydrophobicContact CB-CG1 3.85Å; M134-V534 HydrophobicContact CB-CG2 4.47Å; M134-V534 HydrophobicContact CG-CB 4.45Å; M134-V534 HydrophobicContact CG-CG1 4.32Å; M134-V534 HydrophobicContact CG-CG2 4.07Å; M134-V534 HydrophobicContact SD-CG2 4.39Å; I357-V534 HydrophobicContact CD1-CB 4.05Å; I357-V534 HydrophobicContact CD1-CG2 4.44Å; F443-V534 HydrophobicContact CB-CG2 4.32Å
535	C	86.2	Confident	82.1	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-122.5	-3.4	177	60	0	0	0	0	114.1	L133 V150 F154 L350 C354	L133-C535 HydrophobicContact CB-CB 4.35Å; L133-C535 HydrophobicContact CD1-CB 3.83Å; V150-C535 HydrophobicContact CG1-CB 4.26Å; V150-C535 WeakPolarHBondContact CG1-O 3.49Å; F154-C535 VanDerWaalsContact CE2-O 3.25Å; F154-C535 WeakPolarHBondContact CE2-O 3.4Å; L350-C535 HydrophobicContact CD1-CB 3.8Å; C354-C535 VanDerWaalsContact SG-SG 3.6Å
536	V	87.6	Confident	82.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-114.5	122.4	179.5	-175.9	0	0	0	0	110.3	F154 C354 I357 T533 F540 I541	F154-V536 HydrophobicContact CZ-CG2 4.49Å; C354-V536 HydrophobicContact CB-CG2 4.24Å; I357-V536 HydrophobicContact CB-CG2 4Å; I357-V536 HydrophobicContact CG2-CB 4.04Å; I357-V536 HydrophobicContact CG2-CG2 3.91Å; T533-V536 PolarHBondContact N-O 3.33Å; T533-V536 WeakPolarHBondContact OG1-CB 3.2Å; T533-V536 PolarHBondContact OG1-N 2.8Å; T533-V536 VanDerWaalsContact OG1-N 3.11Å; T533-V536 PolarHBondContact OG1-O 3.04Å; V536-F540 HydrophobicContact CG1-CB 4.46Å; V536-F540 HydrophobicContact CG1-CD1 3.62Å; V536-F540 HydrophobicContact CG1-CE1 4.36Å; V536-F540 HydrophobicContact CG1-CG 4.38Å; V536-I541 HydrophobicContact CG1-CD1 3.98Å; V536-I541 HydrophobicContact CG1-CG1 4.18Å
537	P	86.6	Confident	83.4	Confident	4 Å²	4	21 Å²	21	3%	0.026	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-64.4	143.8	174.1	-14.9	25.5	0	0	0	112.9	F154 Y532 Q539 F540 I541	F154-P537 HydrophobicContact CB-CG 3.59Å; F154-P537 HydrophobicContact CD1-CG 4.03Å; F154-P537 HydrophobicContact CD2-CG 4.09Å; F154-P537 HydrophobicContact CG-CG 3.66Å; Y532-P537 HydrophobicContact CD1-CB 3.48Å; Y532-P537 VanDerWaalsContact CD1-CB 3.48Å; Y532-P537 HydrophobicContact CD1-CG 3.62Å; Y532-P537 HydrophobicContact CE1-CB 3.48Å; Y532-P537 VanDerWaalsContact CE1-CB 3.48Å; Y532-P537 HydrophobicContact CE1-CG 3.59Å; P537-Q539 VanDerWaalsContact C-N 3.26Å; P537-Q539 PolarHBondContact O-N 3.46Å; P537-F540 HydrophobicContact CB-CB 4.25Å; P537-F540 HydrophobicContact CG-CB 4.34Å; P537-F540 WeakPolarHBondContact O-CB 3.02Å; P537-F540 PolarHBondContact O-N 2.66Å; P537-I541 PolarHBondContact O-N 2.9Å
538	Y	84.7	Confident	84.1	Confident	8 Å²	8	21 Å²	21	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-35	172.8	-76.9	6.4	0	0	0	112.1	P439 E470 N527 V528 R531 T533 F540 I541 Y542	P439-Y538 HydrophobicContact CB-CD1 4.13Å; P439-Y538 HydrophobicContact CB-CE1 3.86Å; P439-Y538 HydrophobicContact CB-CE2 4.44Å; P439-Y538 HydrophobicContact CG-CD1 4.25Å; P439-Y538 HydrophobicContact CG-CD2 3.91Å; P439-Y538 HydrophobicContact CG-CE1 3.96Å; P439-Y538 HydrophobicContact CG-CE2 3.63Å; P439-Y538 HydrophobicContact CG-CG 4.23Å; P439-Y538 WeakPolarHBondContact O-CE1 3.39Å; P439-Y538 PolarHBondContact O-OH 2.95Å; E470-Y538 PolarHBondContact OE2-OH 3.44Å; N527-Y538 VanDerWaalsContact O-CD2 3.23Å; N527-Y538 WeakPolarHBondContact O-CD2 3.45Å; N527-Y538 WeakPolarHBondContact OD1-CE2 3.3Å; V528-Y538 CarbonylContact O-C 3.54Å; V528-Y538 WeakPolarHBondContact O-CB 3.15Å; R531-Y538 HydrophobicContact CB-CD2 4.37Å; R531-Y538 HydrophobicContact CB-CE2 4.32Å; R531-Y538 PolarHBondContact O-N 3.37Å; R531-Y538 VanDerWaalsContact O-N 3.13Å; T533-Y538 HydrophobicContact CG2-CD1 3.91Å; T533-Y538 HydrophobicContact CG2-CE1 3.52Å; Y538-F540 PolarHBondContact O-N 3.41Å; Y538-I541 WeakPolarHBondContact O-CB 3.4Å; Y538-I541 PolarHBondContact O-N 2.86Å; Y538-I541 VanDerWaalsContact O-N 3.12Å; Y538-Y542 PolarHBondContact O-N 3.35Å
539	Q	84.6	Confident	85	Confident	74 Å²	74	21 Å²	21	35%	0.346	10%	0.096	S	C	.	.	H	α-helix	trans	-56.6	-40.1	174.3	-173.9	-179.1	7.9	0	0	111.8	V528 P537 I541 Y542 L543	V528-Q539 PolarHBondContact O-N 3.24Å; V528-Q539 VanDerWaalsContact O-N 3.08Å; P537-Q539 VanDerWaalsContact C-N 3.26Å; P537-Q539 PolarHBondContact O-N 3.46Å; Q539-I541 PolarHBondContact O-N 2.85Å; Q539-Y542 PolarHBondContact O-N 3.45Å; Q539-L543 HydrophobicContact CG-CD1 4.2Å; Q539-L543 HydrophobicContact CG-CG 4.46Å; Q539-L543 VanDerWaalsContact O-CG 3.28Å; Q539-L543 WeakPolarHBondContact O-CG 3.23Å; Q539-L543 PolarHBondContact O-N 3.43Å
540	F	88.4	Confident	85.9	Confident	7 Å²	7	17.1 Å²	17.1	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-46.3	176.6	172.9	-95.5	0	0	0	111.5	F154 L157 F162 V203 F204 T358 V536 P537 Y538 L543 M544	F154-F540 HydrophobicContact CD1-CB 4.12Å; F154-F540 AromaticContact CD1-CD2 3.79Å; F154-F540 HydrophobicContact CD1-CD2 3.79Å; F154-F540 HydrophobicContact CD1-CE2 4.48Å; F154-F540 AromaticContact CD1-CG 3.96Å; F154-F540 HydrophobicContact CD1-CG 3.96Å; F154-F540 HydrophobicContact CE1-CB 4.25Å; F154-F540 HydrophobicContact CE1-CD1 4.08Å; F154-F540 AromaticContact CE1-CD2 3.66Å; F154-F540 HydrophobicContact CE1-CD2 3.66Å; F154-F540 HydrophobicContact CE1-CE1 4.4Å; F154-F540 HydrophobicContact CE1-CE2 4.03Å; F154-F540 AromaticContact CE1-CG 3.7Å; F154-F540 HydrophobicContact CE1-CG 3.7Å; F154-F540 HydrophobicContact CE1-CZ 4.39Å; L157-F540 HydrophobicContact CD1-CD2 4.4Å; L157-F540 HydrophobicContact CD1-CE2 4.43Å; F162-F540 AromaticContact CE1-CD2 3.77Å; F162-F540 HydrophobicContact CE1-CD2 3.77Å; F162-F540 AromaticContact CE1-CE2 3.71Å; F162-F540 HydrophobicContact CE1-CE2 3.71Å; F162-F540 AromaticContact CZ-CD2 3.72Å; F162-F540 HydrophobicContact CZ-CD2 3.72Å; F162-F540 AromaticContact CZ-CE2 3.98Å; F162-F540 HydrophobicContact CZ-CE2 3.98Å; V203-F540 HydrophobicContact CG1-CE2 3.64Å; V203-F540 HydrophobicContact CG1-CZ 3.78Å; V203-F540 HydrophobicContact CG2-CZ 4.37Å; F204-F540 HydrophobicContact CE1-CE1 4.08Å; F204-F540 HydrophobicContact CE1-CE2 4.22Å; F204-F540 AromaticContact CE1-CZ 3.59Å; F204-F540 HydrophobicContact CE1-CZ 3.59Å; F204-F540 AromaticContact CZ-CE1 3.97Å; F204-F540 HydrophobicContact CZ-CE1 3.97Å; F204-F540 AromaticContact CZ-CZ 3.91Å; F204-F540 HydrophobicContact CZ-CZ 3.91Å; T358-F540 HydrophobicContact CG2-CE1 3.97Å; V536-F540 HydrophobicContact CG1-CB 4.46Å; V536-F540 HydrophobicContact CG1-CD1 3.62Å; V536-F540 HydrophobicContact CG1-CE1 4.36Å; V536-F540 HydrophobicContact CG1-CG 4.38Å; P537-F540 HydrophobicContact CB-CB 4.25Å; P537-F540 HydrophobicContact CG-CB 4.34Å; P537-F540 WeakPolarHBondContact O-CB 3.02Å; P537-F540 PolarHBondContact O-N 2.66Å; Y538-F540 PolarHBondContact O-N 3.41Å; F540-L543 PolarHBondContact O-N 3.44Å; F540-M544 HydrophobicContact CD1-CG 4.29Å; F540-M544 HydrophobicContact CE1-CG 3.79Å; F540-M544 HydrophobicContact CE2-CG 4.05Å; F540-M544 HydrophobicContact CE2-SD 4.3Å; F540-M544 HydrophobicContact CZ-CG 3.63Å; F540-M544 HydrophobicContact CZ-SD 3.99Å; F540-M544 WeakPolarHBondContact O-CG 3.23Å; F540-M544 PolarHBondContact O-N 2.64Å
541	I	90.4	Very high	86.8	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-45.3	176.3	-59.9	-60.5	0	0	0	111	T358 I361 M362 L434 V536 P537 Y538 Q539 L543 M544 L545	T358-I541 HydrophobicContact CG2-CD1 4.42Å; I361-I541 HydrophobicContact CB-CD1 4.27Å; I361-I541 HydrophobicContact CD1-CD1 4.39Å; I361-I541 HydrophobicContact CD1-CG1 4.35Å; I361-I541 HydrophobicContact CG2-CD1 4.15Å; I361-I541 HydrophobicContact CG2-CG1 4.17Å; I361-I541 HydrophobicContact CG2-CG2 3.64Å; M362-I541 HydrophobicContact SD-CG2 4.42Å; L434-I541 HydrophobicContact CD2-CG2 4.06Å; V536-I541 HydrophobicContact CG1-CD1 3.98Å; V536-I541 HydrophobicContact CG1-CG1 4.18Å; P537-I541 PolarHBondContact O-N 2.9Å; Y538-I541 WeakPolarHBondContact O-CB 3.4Å; Y538-I541 PolarHBondContact O-N 2.86Å; Y538-I541 VanDerWaalsContact O-N 3.12Å; Q539-I541 PolarHBondContact O-N 2.85Å; I541-L543 VanDerWaalsContact C-N 3.33Å; I541-L543 PolarHBondContact O-N 3.27Å; I541-M544 PolarHBondContact O-N 2.66Å; I541-L545 HydrophobicContact CG2-CD1 3.91Å; I541-L545 HydrophobicContact CG2-CG 4.33Å; I541-L545 WeakPolarHBondContact O-CB 3.4Å; I541-L545 WeakPolarHBondContact O-CG 3.31Å; I541-L545 PolarHBondContact O-N 2.73Å
542	Y	88.8	Confident	87.5	Confident	16 Å²	16	11 Å²	11	6%	0.063	5%	0.051	C	C	.	.	H	α-helix	trans	-58.2	-44.2	178.1	172.4	-99.5	0	0	0	112.1	K427 I430 Q431 L434 V528 Y538 Q539 L545 T546	K427-Y542 VanDerWaalsContact CD-OH 3.3Å; K427-Y542 WeakPolarHBondContact CD-OH 3.21Å; K427-Y542 WeakPolarHBondContact CG-OH 3.45Å; I430-Y542 HydrophobicContact CG2-CD2 3.76Å; I430-Y542 HydrophobicContact CG2-CE2 4.06Å; Q431-Y542 HydrophobicContact CG-CE2 4.37Å; L434-Y542 HydrophobicContact CD1-CD2 4.18Å; V528-Y542 HydrophobicContact CG1-CG 4.39Å; Y538-Y542 PolarHBondContact O-N 3.35Å; Q539-Y542 PolarHBondContact O-N 3.45Å; Y542-L545 PolarHBondContact O-N 3.38Å; Y542-T546 WeakPolarHBondContact O-CB 3.5Å; Y542-T546 PolarHBondContact O-N 3.16Å; Y542-T546 PolarHBondContact O-OG1 3.41Å
543	L	88.1	Confident	88.2	Confident	27 Å²	27	8.3 Å²	8.3	14%	0.141	4%	0.041	C	C	.	.	H	α-helix	trans	-65.3	-46.6	177	-69.5	174.6	0	0	0	111.7	F162 L417 Q539 F540 I541 L545 T546 T547	F162-L543 HydrophobicContact CD1-CB 3.87Å; F162-L543 HydrophobicContact CD2-CB 4.39Å; F162-L543 HydrophobicContact CD2-CD1 4.27Å; F162-L543 HydrophobicContact CE1-CB 3.7Å; F162-L543 HydrophobicContact CE1-CD1 4.45Å; F162-L543 HydrophobicContact CE2-CB 4.25Å; F162-L543 HydrophobicContact CE2-CD1 3.68Å; F162-L543 HydrophobicContact CG-CB 4.23Å; F162-L543 HydrophobicContact CZ-CB 3.9Å; F162-L543 HydrophobicContact CZ-CD1 3.78Å; L417-L543 HydrophobicContact CD1-CD2 3.61Å; Q539-L543 HydrophobicContact CG-CD1 4.2Å; Q539-L543 HydrophobicContact CG-CG 4.46Å; Q539-L543 VanDerWaalsContact O-CG 3.28Å; Q539-L543 WeakPolarHBondContact O-CG 3.23Å; Q539-L543 PolarHBondContact O-N 3.43Å; F540-L543 PolarHBondContact O-N 3.44Å; I541-L543 VanDerWaalsContact C-N 3.33Å; I541-L543 PolarHBondContact O-N 3.27Å; L543-L545 VanDerWaalsContact C-N 3.33Å; L543-L545 PolarHBondContact O-N 3.46Å; L543-T546 PolarHBondContact O-N 2.87Å; L543-T547 WeakPolarHBondContact O-CB 3.48Å; L543-T547 PolarHBondContact O-N 3.32Å; L543-T547 PolarHBondContact O-OG1 3.06Å; L543-T547 VanDerWaalsContact O-OG1 3.11Å
544	M	90.6	Very high	88.5	Confident	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-56.5	-45.7	175.8	-74.1	-64.6	-69.6	0	0	112.2	F162 I165 V199 V203 M362 F540 I541 T548	F162-M544 HydrophobicContact CD1-CG 4.18Å; F162-M544 HydrophobicContact CD1-SD 3.71Å; F162-M544 HydrophobicContact CE1-CG 3.9Å; F162-M544 HydrophobicContact CE1-SD 3.83Å; I165-M544 HydrophobicContact CD1-SD 4.45Å; I165-M544 HydrophobicContact CG2-CE 4.11Å; V199-M544 HydrophobicContact CG1-CE 3.47Å; V199-M544 VanDerWaalsContact CG1-CE 3.47Å; V203-M544 HydrophobicContact CG2-CE 3.76Å; V203-M544 HydrophobicContact CG2-SD 3.77Å; M362-M544 HydrophobicContact CE-CB 3.92Å; M362-M544 HydrophobicContact SD-CB 3.95Å; F540-M544 HydrophobicContact CD1-CG 4.29Å; F540-M544 HydrophobicContact CE1-CG 3.79Å; F540-M544 HydrophobicContact CE2-CG 4.05Å; F540-M544 HydrophobicContact CE2-SD 4.3Å; F540-M544 HydrophobicContact CZ-CG 3.63Å; F540-M544 HydrophobicContact CZ-SD 3.99Å; F540-M544 WeakPolarHBondContact O-CG 3.23Å; F540-M544 PolarHBondContact O-N 2.64Å; I541-M544 PolarHBondContact O-N 2.66Å; M544-T548 VanDerWaalsContact O-CB 3.3Å; M544-T548 WeakPolarHBondContact O-CB 3.32Å; M544-T548 PolarHBondContact O-N 3.41Å; M544-T548 PolarHBondContact O-OG1 3.47Å
545	L	92.5	Very high	88.3	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-46.7	177.8	-70.6	174	0	0	0	112	M362 T365 L366 L369 I430 L434 I541 Y542 L543 T547 T548 L549	M362-L545 HydrophobicContact CE-CD2 3.87Å; M362-L545 HydrophobicContact CE-CG 4.42Å; M362-L545 HydrophobicContact SD-CD2 3.79Å; M362-L545 HydrophobicContact SD-CG 3.98Å; T365-L545 HydrophobicContact CG2-CD1 4.42Å; T365-L545 WeakPolarHBondContact OG1-CD2 3.44Å; L366-L545 HydrophobicContact CD2-CD2 3.58Å; L366-L545 HydrophobicContact CG-CD2 3.8Å; L369-L545 HydrophobicContact CD1-CD2 3.98Å; I430-L545 HydrophobicContact CD1-CB 4.44Å; I430-L545 HydrophobicContact CG2-CB 4.1Å; I430-L545 HydrophobicContact CG2-CD1 4.06Å; L434-L545 HydrophobicContact CD2-CD1 3.83Å; L434-L545 HydrophobicContact CG-CD1 4.28Å; I541-L545 HydrophobicContact CG2-CD1 3.91Å; I541-L545 HydrophobicContact CG2-CG 4.33Å; I541-L545 WeakPolarHBondContact O-CB 3.4Å; I541-L545 WeakPolarHBondContact O-CG 3.31Å; I541-L545 PolarHBondContact O-N 2.73Å; Y542-L545 PolarHBondContact O-N 3.38Å; L543-L545 VanDerWaalsContact C-N 3.33Å; L543-L545 PolarHBondContact O-N 3.46Å; L545-T547 PolarHBondContact O-N 3.01Å; L545-T548 PolarHBondContact O-N 3.4Å; L545-L549 WeakPolarHBondContact O-CG 2.88Å; L545-L549 PolarHBondContact O-N 3.29Å
546	T	91	Very high	88.2	Confident	3 Å²	3	12 Å²	12	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-57.9	-51.3	179.8	-58	0	0	0	0	110.4	L423 I430 Y542 L543 T548 L549 V550	L423-T546 HydrophobicContact CD1-CG2 4.41Å; I430-T546 VanDerWaalsContact CD1-CA 3.49Å; I430-T546 HydrophobicContact CD1-CG2 4.46Å; I430-T546 WeakPolarHBondContact CD1-OG1 3.26Å; Y542-T546 WeakPolarHBondContact O-CB 3.5Å; Y542-T546 PolarHBondContact O-N 3.16Å; Y542-T546 PolarHBondContact O-OG1 3.41Å; L543-T546 PolarHBondContact O-N 2.87Å; T546-T548 VanDerWaalsContact C-N 3.34Å; T546-T548 PolarHBondContact O-N 3.34Å; T546-L549 PolarHBondContact O-N 3.16Å; T546-V550 HydrophobicContact CG2-CG2 4.35Å; T546-V550 WeakPolarHBondContact O-CB 3.29Å; T546-V550 WeakPolarHBondContact O-CG2 3.3Å; T546-V550 PolarHBondContact O-N 3.07Å
547	T	88.6	Confident	88.3	Confident	3 Å²	3	12.1 Å²	12.1	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-64.7	-38.4	-179.2	-61.8	0	0	0	0	112.7	F162 G166 M415 L543 L545 H551	F162-T547 HydrophobicContact CB-CG2 4.3Å; F162-T547 WeakPolarHBondContact O-CG2 3.48Å; G166-T547 VanDerWaalsContact CA-CG2 3.49Å; M415-T547 HydrophobicContact CE-CG2 3.16Å; L543-T547 WeakPolarHBondContact O-CB 3.48Å; L543-T547 PolarHBondContact O-N 3.32Å; L543-T547 PolarHBondContact O-OG1 3.06Å; L543-T547 VanDerWaalsContact O-OG1 3.11Å; L545-T547 PolarHBondContact O-N 3.01Å; T547-H551 WeakPolarHBondContact O-CB 3.37Å; T547-H551 PolarHBondContact O-N 3.26Å; T547-H551 VanDerWaalsContact O-N 3.12Å; T547-H551 PolarHBondContact O-ND1 2.94Å; T547-H551 VanDerWaalsContact O-ND1 3.17Å
548	T	91.1	Very high	88.7	Confident	3 Å²	3	13 Å²	13	2%	0.018	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-51.4	175.9	-61.2	0	0	0	0	111.2	W195 L366 M544 L545 T546 H551 F552	W195-T548 HydrophobicContact CH2-CG2 3.44Å; W195-T548 VanDerWaalsContact CH2-CG2 3.44Å; W195-T548 HydrophobicContact CZ2-CG2 4.09Å; W195-T548 HydrophobicContact CZ3-CG2 4.29Å; L366-T548 HydrophobicContact CD2-CG2 3.97Å; M544-T548 VanDerWaalsContact O-CB 3.3Å; M544-T548 WeakPolarHBondContact O-CB 3.32Å; M544-T548 PolarHBondContact O-N 3.41Å; M544-T548 PolarHBondContact O-OG1 3.47Å; L545-T548 PolarHBondContact O-N 3.4Å; T546-T548 VanDerWaalsContact C-N 3.34Å; T546-T548 PolarHBondContact O-N 3.34Å; T548-H551 PolarHBondContact O-N 3.34Å; T548-F552 HydrophobicContact CG2-CD1 4.3Å; T548-F552 HydrophobicContact CG2-CD2 4.22Å; T548-F552 HydrophobicContact CG2-CE1 4.13Å; T548-F552 HydrophobicContact CG2-CE2 4.03Å; T548-F552 HydrophobicContact CG2-CG 4.37Å; T548-F552 HydrophobicContact CG2-CZ 4Å; T548-F552 WeakPolarHBondContact O-CB 3.19Å; T548-F552 WeakPolarHBondContact O-CD1 3.46Å; T548-F552 WeakPolarHBondContact O-CG 3.18Å; T548-F552 PolarHBondContact O-N 3.32Å
549	L	92.3	Very high	89.1	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-42.7	-179.1	-67.1	-175	0	0	0	112.1	L369 T426 I430 L545 T546 H551 F552 F553	L369-L549 HydrophobicContact CD1-CD1 4.03Å; L369-L549 HydrophobicContact CD1-CD2 4.4Å; L369-L549 HydrophobicContact CD1-CG 4.47Å; L369-L549 HydrophobicContact CD2-CD1 4.07Å; T426-L549 HydrophobicContact CG2-CB 4.28Å; T426-L549 HydrophobicContact CG2-CD1 4.32Å; I430-L549 HydrophobicContact CD1-CD1 3.86Å; I430-L549 HydrophobicContact CG1-CD1 3.56Å; L545-L549 WeakPolarHBondContact O-CG 2.88Å; L545-L549 PolarHBondContact O-N 3.29Å; T546-L549 PolarHBondContact O-N 3.16Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.37Å; L549-F552 PolarHBondContact O-N 3Å; L549-F553 HydrophobicContact CB-CD2 4.36Å; L549-F553 HydrophobicContact CD2-CD2 4.13Å; L549-F553 HydrophobicContact CD2-CE2 3.7Å; L549-F553 WeakPolarHBondContact O-CB 3.4Å; L549-F553 WeakPolarHBondContact O-CD2 3.33Å; L549-F553 PolarHBondContact O-N 3.47Å
550	V	90.1	Very high	89.5	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-56.2	-45.5	177.7	168	0	0	0	0	111	C387 F390 L391 M415 L423 T546 G554	C387-V550 VanDerWaalsContact SG-CA 3.58Å; F390-V550 HydrophobicContact CD1-CG1 3.62Å; F390-V550 HydrophobicContact CE1-CG1 3.86Å; L391-V550 HydrophobicContact CD2-CG1 4.37Å; M415-V550 HydrophobicContact SD-CG1 3.91Å; L423-V550 HydrophobicContact CD1-CG2 3.51Å; L423-V550 HydrophobicContact CD2-CG2 4.01Å; L423-V550 HydrophobicContact CG-CG2 4.42Å; T546-V550 HydrophobicContact CG2-CG2 4.35Å; T546-V550 WeakPolarHBondContact O-CB 3.29Å; T546-V550 WeakPolarHBondContact O-CG2 3.3Å; T546-V550 PolarHBondContact O-N 3.07Å; V550-G554 WeakPolarHBondContact O-CA 3.21Å; V550-G554 PolarHBondContact O-N 3.03Å
551	H	88	Confident	89.7	Confident	4 Å²	4	13.4 Å²	13.4	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-74.2	-47.1	-179.1	-84	89.6	0	0	0	112.7	G166 H167 A170 M415 T547 T548 L549 F553 G554 T555	G166-H551 VanDerWaalsContact C-CD2 3.44Å; G166-H551 WeakPolarHBondContact CA-ND1 3.34Å; G166-H551 VanDerWaalsContact O-CB 3.23Å; G166-H551 WeakPolarHBondContact O-CB 3.17Å; H167-H551 VanDerWaalsContact CA-CD2 3.42Å; H167-H551 WeakPolarHBondContact CA-CD2 3.45Å; H167-H551 PolarHBondContact N-CD2 2.94Å; H167-H551 VanDerWaalsContact N-CD2 3.3Å; H167-H551 PolarHBondContact N-NE2 3.28Å; A170-H551 HydrophobicContact CB-CB 3.65Å; M415-H551 WeakPolarHBondContact CE-CE1 3.24Å; M415-H551 PolarHBondContact SD-CE1 2.98Å; T547-H551 WeakPolarHBondContact O-CB 3.37Å; T547-H551 PolarHBondContact O-N 3.26Å; T547-H551 VanDerWaalsContact O-N 3.12Å; T547-H551 PolarHBondContact O-ND1 2.94Å; T547-H551 VanDerWaalsContact O-ND1 3.17Å; T548-H551 PolarHBondContact O-N 3.34Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.37Å; H551-F553 PolarHBondContact O-N 2.84Å; H551-G554 PolarHBondContact O-N 2.88Å; H551-T555 WeakPolarHBondContact O-CB 3.41Å; H551-T555 WeakPolarHBondContact O-CG2 3.41Å; H551-T555 PolarHBondContact O-N 3.02Å; H551-T555 PolarHBondContact O-OG1 3.05Å
552	F	89.9	Confident	89.6	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-56.9	-55.7	179.8	-80	17.3	0	0	0	111.1	G169 A170 L179 W195 T548 L549 G554 T555 W557 L586	G169-F552 WeakPolarHBondContact O-CE1 3.47Å; A170-F552 HydrophobicContact CB-CD1 3.58Å; A170-F552 HydrophobicContact CB-CE1 3.98Å; L179-F552 HydrophobicContact CD1-CE1 4.42Å; L179-F552 HydrophobicContact CD1-CE2 3.74Å; L179-F552 HydrophobicContact CD1-CZ 3.41Å; L179-F552 VanDerWaalsContact CD1-CZ 3.41Å; W195-F552 HydrophobicContact CD2-CZ 4.36Å; W195-F552 AromaticContact CE2-CZ 3.56Å; W195-F552 HydrophobicContact CH2-CE1 4.33Å; W195-F552 AromaticContact CH2-CZ 3.85Å; W195-F552 HydrophobicContact CH2-CZ 3.85Å; W195-F552 AromaticContact CZ2-CE1 3.53Å; W195-F552 HydrophobicContact CZ2-CE1 3.53Å; W195-F552 HydrophobicContact CZ2-CE2 4.36Å; W195-F552 AromaticContact CZ2-CZ 3.25Å; W195-F552 HydrophobicContact CZ2-CZ 3.25Å; W195-F552 AromaticContact NE1-CZ 3.93Å; T548-F552 HydrophobicContact CG2-CD1 4.3Å; T548-F552 HydrophobicContact CG2-CD2 4.22Å; T548-F552 HydrophobicContact CG2-CE1 4.13Å; T548-F552 HydrophobicContact CG2-CE2 4.03Å; T548-F552 HydrophobicContact CG2-CG 4.37Å; T548-F552 HydrophobicContact CG2-CZ 4Å; T548-F552 WeakPolarHBondContact O-CB 3.19Å; T548-F552 WeakPolarHBondContact O-CD1 3.46Å; T548-F552 WeakPolarHBondContact O-CG 3.18Å; T548-F552 PolarHBondContact O-N 3.32Å; L549-F552 PolarHBondContact O-N 3Å; F552-G554 VanDerWaalsContact C-N 3.31Å; F552-G554 PolarHBondContact O-N 3.23Å; F552-T555 PolarHBondContact O-N 3.44Å; F552-W557 HydrophobicContact CB-CB 4.11Å; F552-W557 HydrophobicContact CB-CG 4.32Å; F552-W557 WeakPolarHBondContact O-CB 3.41Å; F552-W557 VanDerWaalsContact O-CD1 3.28Å; F552-W557 PolarHBondContact O-N 3.04Å; F552-L586 HydrophobicContact CD2-CD1 4.05Å; F552-L586 HydrophobicContact CE2-CD1 3.75Å
553	F	90.9	Very high	89.5	Confident	1 Å²	1	18.9 Å²	18.9	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-79.8	-16.2	-175.2	-65.8	-68.3	0	0	0	113	L370 L373 Q380 V383 R384 L549 H551 W557	L370-F553 HydrophobicContact CD2-CE2 4.28Å; L370-F553 HydrophobicContact CD2-CZ 4.04Å; L373-F553 HydrophobicContact CD1-CD2 4.29Å; L373-F553 HydrophobicContact CD1-CE1 4.38Å; L373-F553 HydrophobicContact CD1-CE2 3.43Å; L373-F553 VanDerWaalsContact CD1-CE2 3.43Å; L373-F553 HydrophobicContact CD1-CZ 3.48Å; L373-F553 VanDerWaalsContact CD1-CZ 3.48Å; Q380-F553 HydrophobicContact CG-CD1 4.15Å; Q380-F553 HydrophobicContact CG-CE1 3.88Å; Q380-F553 VanDerWaalsContact OE1-CE1 3.24Å; V383-F553 HydrophobicContact CG1-CB 3.89Å; V383-F553 HydrophobicContact CG1-CD2 3.86Å; V383-F553 HydrophobicContact CG1-CG 3.96Å; R384-F553 HydrophobicContact CG-CB 3.9Å; R384-F553 HydrophobicContact CG-CD1 4.04Å; R384-F553 HydrophobicContact CG-CG 4.41Å; L549-F553 HydrophobicContact CB-CD2 4.36Å; L549-F553 HydrophobicContact CD2-CD2 4.13Å; L549-F553 HydrophobicContact CD2-CE2 3.7Å; L549-F553 WeakPolarHBondContact O-CB 3.4Å; L549-F553 WeakPolarHBondContact O-CD2 3.33Å; L549-F553 PolarHBondContact O-N 3.47Å; H551-F553 PolarHBondContact O-N 2.84Å; F553-W557 WeakPolarHBondContact CD1-O 3.48Å
554	G	86	Confident	89.1	Confident	15 Å²	15	26.6 Å²	26.6	16%	0.155	14%	0.142	C	C	.	.	H	α-helix	trans	-74.6	-33.8	167.3	0	0	0	0	0	113.8	V550 H551 F552	V550-G554 WeakPolarHBondContact O-CA 3.21Å; V550-G554 PolarHBondContact O-N 3.03Å; H551-G554 PolarHBondContact O-N 2.88Å; F552-G554 VanDerWaalsContact C-N 3.31Å; F552-G554 PolarHBondContact O-N 3.23Å
555	T	77.9	Confident	88.9	Confident	56 Å²	56	34.7 Å²	34.7	34%	0.344	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	34.2	-174.8	66	0	0	0	0	114.3	H551 F552	H551-T555 WeakPolarHBondContact O-CB 3.41Å; H551-T555 WeakPolarHBondContact O-CG2 3.41Å; H551-T555 PolarHBondContact O-N 3.02Å; H551-T555 PolarHBondContact O-OG1 3.05Å; F552-T555 PolarHBondContact O-N 3.44Å
556	A	83.8	Confident	88.5	Confident	25 Å²	25	37.8 Å²	37.8	21%	0.207	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	12.8	171.4	0	0	0	0	0	117.4	I588 N589	A556-I588 HydrophobicContact CB-CG2 4.49Å; A556-N589 PolarHBondContact O-N 3.16Å
557	W	90.9	Very high	88.2	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	150.8	172.1	-65.8	80.3	0	0	0	112.5	A170 P172 G176 L179 V180 R384 F552 F553 L586 R587 I588	A170-W557 PolarHBondContact O-NE1 3.04Å; P172-W557 HydrophobicContact CG-CZ2 4.1Å; G176-W557 WeakPolarHBondContact O-CH2 3.42Å; L179-W557 HydrophobicContact CB-CH2 3.76Å; L179-W557 HydrophobicContact CB-CZ3 3.89Å; V180-W557 HydrophobicContact CG2-CH2 3.77Å; V180-W557 HydrophobicContact CG2-CZ3 4.46Å; R384-W557 PolarHBondContact NE-O 3.39Å; R384-W557 PolarHBondContact NH2-O 3.4Å; F552-W557 HydrophobicContact CB-CB 4.11Å; F552-W557 HydrophobicContact CB-CG 4.32Å; F552-W557 WeakPolarHBondContact O-CB 3.41Å; F552-W557 VanDerWaalsContact O-CD1 3.28Å; F552-W557 PolarHBondContact O-N 3.04Å; F553-W557 WeakPolarHBondContact CD1-O 3.48Å; W557-L586 HydrophobicContact CE3-CB 3.88Å; W557-L586 HydrophobicContact CE3-CD1 4.39Å; W557-L586 HydrophobicContact CE3-CD2 4.48Å; W557-L586 HydrophobicContact CE3-CG 4.5Å; W557-L586 HydrophobicContact CZ3-CB 4Å; W557-R587 CarbonylContact C-O 3.42Å; W557-R587 WeakPolarHBondContact CA-O 3.38Å; W557-I588 HydrophobicContact CD2-CG1 3.91Å; W557-I588 HydrophobicContact CE3-CG1 3.95Å; W557-I588 HydrophobicContact CH2-CD1 4.08Å; W557-I588 HydrophobicContact CH2-CG1 4.02Å; W557-I588 HydrophobicContact CZ2-CD1 3.99Å; W557-I588 HydrophobicContact CZ2-CG1 3.95Å; W557-I588 HydrophobicContact CZ3-CG1 4.02Å
558	E	93.1	Very high	88.1	Confident	23 Å²	23	48.7 Å²	48.7	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.5	179.2	179.6	149.5	-114.1	0	0	111.1	Q380 R384 L586 R587 N589	Q380-E558 VanDerWaalsContact OE1-CA 3.31Å; R384-E558 IonicContact CZ-OE1 3.08Å; R384-E558 IonicContact NH1-OE1 3.65Å; R384-E558 PolarHBondContact NH1-OE1 2.98Å; R384-E558 VanDerWaalsContact NH1-OE1 3.17Å; R384-E558 IonicContact NH2-OE1 3.17Å; R384-E558 PolarHBondContact NH2-OE1 3.38Å; E558-L586 CarbonylContact O-C 3.43Å; E558-L586 VanDerWaalsContact O-CA 3.31Å; E558-L586 WeakPolarHBondContact O-CA 3.44Å; E558-R587 HydrophobicContact CB-CG 3.87Å; E558-R587 HydrophobicContact CG-CG 4.33Å; E558-R587 PolarHBondContact N-O 2.9Å; E558-R587 PolarHBondContact O-N 3.38Å; E558-R587 IonicContact OE2-CZ 3.45Å; E558-R587 VanDerWaalsContact OE2-CZ 3.24Å; E558-R587 IonicContact OE2-NE 2.74Å; E558-R587 PolarHBondContact OE2-NE 3.03Å; E558-R587 IonicContact OE2-NH2 3.99Å; E558-R587 PolarHBondContact OE2-NH2 3.14Å; E558-N589 HydrophobicContact CB-CB 4.29Å; E558-N589 PolarHBondContact OE2-ND2 3.01Å; E558-N589 VanDerWaalsContact OE2-ND2 3.16Å
559	S	93.6	Very high	88	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.6	164.9	58.2	0	0	0	0	110.5	L370 L373 A374 Q380 D585	L370-S559 VanDerWaalsContact O-CB 3.31Å; L370-S559 WeakPolarHBondContact O-CB 3.43Å; L370-S559 PolarHBondContact O-OG 3.04Å; L373-S559 VanDerWaalsContact CB-OG 3.3Å; L373-S559 WeakPolarHBondContact CB-OG 3.29Å; A374-S559 PolarHBondContact N-OG 3.28Å; Q380-S559 PolarHBondContact NE2-O 3.41Å; Q380-S559 VanDerWaalsContact NE2-O 3.15Å; Q380-S559 PolarHBondContact OE1-O 2.64Å; Q380-S559 PolarHBondContact OE1-OG 2.97Å; Q380-S559 VanDerWaalsContact OE1-OG 3.09Å; S559-D585 WeakPolarHBondContact CA-O 3.49Å
560	Y	92.6	Very high	87.8	Confident	74 Å²	74	58.1 Å²	58.1	29%	0.29	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.4	177.5	68.4	-82.5	0	0	0	111.4	T562 A584 D585 R587	Y560-T562 HydrophobicContact CE2-CG2 4.41Å; Y560-A584 CarbonylContact O-C 3.45Å; Y560-A584 WeakPolarHBondContact O-CA 3.34Å; Y560-A584 WeakPolarHBondContact O-CB 3.12Å; Y560-D585 WeakPolarHBondContact CD1-O 3.29Å; Y560-D585 HydrophobicContact CE1-CB 3.86Å; Y560-D585 HydrophobicContact CE2-CB 4.23Å; Y560-D585 PolarHBondContact N-O 3.46Å; Y560-D585 PolarHBondContact O-N 2.91Å; Y560-R587 HydrophobicContact CD1-CB 4.14Å; Y560-R587 HydrophobicContact CD1-CG 3.76Å; Y560-R587 HydrophobicContact CE1-CB 3.75Å; Y560-R587 HydrophobicContact CE1-CG 3.89Å
561	L	92.5	Very high	87.7	Confident	22 Å²	22	60.4 Å²	60.4	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.9	175.2	-66.7	174.5	0	0	0	109.7	A374 I375 D563 I566 P582	A374-L561 HydrophobicContact CB-CD2 3.96Å; A374-L561 HydrophobicContact CB-CG 4.04Å; I375-L561 HydrophobicContact CG1-CD1 4.31Å; I375-L561 HydrophobicContact CG1-CD2 3.96Å; L561-D563 VanDerWaalsContact C-N 3.32Å; L561-I566 HydrophobicContact CD1-CB 4.09Å; L561-I566 HydrophobicContact CD1-CG2 3.68Å; L561-P582 HydrophobicContact CD2-CB 4.11Å; L561-P582 HydrophobicContact CD2-CG 3.78Å
562	T	88.6	Confident	87.4	Confident	65 Å²	65	64.3 Å²	64.3	40%	0.399	32%	0.323	S	S	.	.	S	Bend	trans	-80.6	-18.7	178.3	60.8	0	0	0	0	112.8	Y560 K583 D585	Y560-T562 HydrophobicContact CE2-CG2 4.41Å; T562-K583 PolarHBondContact N-O 3.03Å; T562-K583 WeakPolarHBondContact OG1-CB 3.42Å; T562-K583 PolarHBondContact OG1-O 3.5Å; T562-D585 HydrophobicContact CG2-CB 3.61Å
563	D	86.6	Confident	87.1	Confident	66 Å²	66	69.2 Å²	69.2	35%	0.353	35%	0.349	S	S	.	.			trans	-95.3	108.4	178.2	-170.5	-12.9	0	0	0	109.9	L561 Q565 I566	L561-D563 VanDerWaalsContact C-N 3.32Å; D563-Q565 PolarHBondContact O-N 3.37Å; D563-Q565 VanDerWaalsContact OD1-CB 3.32Å; D563-Q565 WeakPolarHBondContact OD1-CB 3.48Å; D563-Q565 WeakPolarHBondContact OD1-CG 3.35Å; D563-Q565 PolarHBondContact OD1-N 3.06Å; D563-I566 HydrophobicContact CB-CD1 4.12Å; D563-I566 HydrophobicContact CB-CG1 4.2Å; D563-I566 PolarHBondContact O-N 3.32Å; D563-I566 VanDerWaalsContact O-N 3.16Å
564	E	80.6	Confident	86.9	Confident	190 Å²	190	71.8 Å²	71.8	89%	0.888	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.6	-179.9	-62.2	-176.9	174.6	0	0	113.3	I566	E564-I566 VanDerWaalsContact C-N 3.28Å
565	Q	85.7	Confident	87	Confident	172 Å²	172	72.1 Å²	72.1	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-23	177	-58.6	-174	7.5	0	0	112.3	D563	D563-Q565 PolarHBondContact O-N 3.37Å; D563-Q565 VanDerWaalsContact OD1-CB 3.32Å; D563-Q565 WeakPolarHBondContact OD1-CB 3.48Å; D563-Q565 WeakPolarHBondContact OD1-CG 3.35Å; D563-Q565 PolarHBondContact OD1-N 3.06Å
566	I	84.7	Confident	87.4	Confident	64 Å²	64	74.2 Å²	74.2	33%	0.328	37%	0.366	S	S	.	.	S	Bend	trans	-91.7	109.4	-178.7	-55	-179.7	0	0	0	108.3	L561 D563 E564 P582	L561-I566 HydrophobicContact CD1-CB 4.09Å; L561-I566 HydrophobicContact CD1-CG2 3.68Å; D563-I566 HydrophobicContact CB-CD1 4.12Å; D563-I566 HydrophobicContact CB-CG1 4.2Å; D563-I566 PolarHBondContact O-N 3.32Å; D563-I566 VanDerWaalsContact O-N 3.16Å; E564-I566 VanDerWaalsContact C-N 3.28Å; I566-P582 HydrophobicContact CD1-CB 3.42Å; I566-P582 VanDerWaalsContact CD1-CB 3.42Å; I566-P582 HydrophobicContact CD1-CG 4.29Å
567	K	85.7	Confident	87.3	Confident	184 Å²	184	74.2 Å²	74.2	80%	0.8	36%	0.361	S	S	*	.			trans	-76.2	131.3	179	-67.1	-174.3	179.1	-178.4	0	110.3
568	P	86.3	Confident	86.7	Confident	51 Å²	51	76.5 Å²	76.5	33%	0.331	38%	0.377	S	S	.	.			trans	-59.6	146.1	170.3	-20.4	31.1	0	0	0	111.3	P377 Y570	P377-P568 HydrophobicContact CG-CB 3.59Å; P568-Y570 HydrophobicContact CB-CE2 3.9Å
569	D	89.2	Confident	85.9	Confident	54 Å²	54	79 Å²	79	29%	0.289	39%	0.391	S	S	.	.			trans	-100.8	112.6	178.2	-179.7	3.7	0	0	0	109.9	I375 K376 P377 T571	I375-D569 PolarHBondContact O-N 3.48Å; K376-D569 HydrophobicContact CD-CB 4.11Å; K376-D569 WeakPolarHBondContact CE-OD2 3.39Å; K376-D569 IonicContact NZ-OD1 3.43Å; K376-D569 IonicContact NZ-OD2 3.94Å; K376-D569 PolarHBondContact NZ-OD2 2.75Å; P377-D569 WeakPolarHBondContact CD-O 3.42Å; D569-T571 VanDerWaalsContact C-N 3.3Å; D569-T571 WeakPolarHBondContact OD1-CB 3.12Å; D569-T571 WeakPolarHBondContact OD1-CG2 3.14Å; D569-T571 PolarHBondContact OD1-N 2.76Å; D569-T571 PolarHBondContact OD1-OG1 2.99Å; D569-T571 PolarHBondContact OD2-OG1 2.87Å; D569-T571 VanDerWaalsContact OD2-OG1 3.09Å
570	Y	87.5	Confident	85.3	Confident	147 Å²	147	85.9 Å²	85.9	58%	0.576	43%	0.428	S	S	*	.			trans	-92.4	16.5	-178.6	-63.3	-92.5	0	0	0	112.6	P377 K378 P568	P377-Y570 HydrophobicContact CB-CD1 4.01Å; P377-Y570 HydrophobicContact CB-CE1 3.69Å; P377-Y570 HydrophobicContact CG-CD1 4.15Å; P377-Y570 HydrophobicContact CG-CE1 3.71Å; K378-Y570 WeakPolarHBondContact CD-O 3.42Å; K378-Y570 WeakPolarHBondContact CE-O 3.4Å; K378-Y570 PolarHBondContact NZ-O 3.3Å; P568-Y570 HydrophobicContact CB-CE2 3.9Å
571	T	87.2	Confident	84.9	Confident	51 Å²	51	83.6 Å²	83.6	31%	0.313	42%	0.42	S	S	.	.			trans	-85.2	152.2	171.2	63.7	0	0	0	0	111.1	K376 D569	K376-T571 PolarHBondContact NZ-O 3.29Å; K376-T571 PolarHBondContact NZ-OG1 3.12Å; D569-T571 VanDerWaalsContact C-N 3.3Å; D569-T571 WeakPolarHBondContact OD1-CB 3.12Å; D569-T571 WeakPolarHBondContact OD1-CG2 3.14Å; D569-T571 PolarHBondContact OD1-N 2.76Å; D569-T571 PolarHBondContact OD1-OG1 2.99Å; D569-T571 PolarHBondContact OD2-OG1 2.87Å; D569-T571 VanDerWaalsContact OD2-OG1 3.09Å
572	D	82.3	Confident	84.8	Confident	85 Å²	85	84 Å²	84	46%	0.455	42%	0.424	S	S	.	.	S	Bend	trans	-84.7	-0.8	173.2	-64.5	-61.6	0	0	0	112.3	K378	K378-D572 VanDerWaalsContact CD-OD1 3.25Å; K378-D572 WeakPolarHBondContact CD-OD1 3.23Å; K378-D572 WeakPolarHBondContact CD-OD2 3.44Å; K378-D572 IonicContact NZ-OD2 2.82Å; K378-D572 PolarHBondContact NZ-OD2 3.32Å
573	D	84.3	Confident	84.8	Confident	105 Å²	105	86.8 Å²	86.8	56%	0.561	43%	0.431	S	S	*	.	S	Bend	trans	-66.9	161.5	179.5	-60.6	-31.3	0	0	0	111.7	K376 W379	K376-D573 VanDerWaalsContact CE-O 3.27Å; K376-D573 WeakPolarHBondContact CE-O 3.43Å; K376-D573 PolarHBondContact NZ-O 3.15Å; W379-D573 VanDerWaalsContact CZ2-O 3.22Å; W379-D573 WeakPolarHBondContact CZ2-O 3.31Å
574	F	85.9	Confident	85	Confident	56 Å²	56	84 Å²	84	25%	0.246	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-56.2	160.5	175.5	62.3	-97.8	0	0	0	113	T490 Y492 V497 D499 M576	T490-F574 HydrophobicContact CG2-CE1 3.76Å; T490-F574 HydrophobicContact CG2-CZ 4.17Å; Y492-F574 AromaticContact CD1-CE2 3.79Å; Y492-F574 HydrophobicContact CD1-CE2 3.79Å; Y492-F574 AromaticContact CD1-CZ 3.74Å; Y492-F574 HydrophobicContact CD1-CZ 3.74Å; Y492-F574 HydrophobicContact CE1-CE1 4.26Å; Y492-F574 AromaticContact CE1-CE2 3.41Å; Y492-F574 HydrophobicContact CE1-CE2 3.41Å; Y492-F574 VanDerWaalsContact CE1-CE2 3.41Å; Y492-F574 AromaticContact CE1-CZ 3.18Å; Y492-F574 HydrophobicContact CE1-CZ 3.18Å; Y492-F574 AromaticContact CZ-CZ 3.68Å; V497-F574 HydrophobicContact CG1-CB 3.47Å; V497-F574 VanDerWaalsContact CG1-CB 3.47Å; V497-F574 HydrophobicContact CG1-CD1 4.38Å; V497-F574 HydrophobicContact CG1-CD2 3.64Å; V497-F574 HydrophobicContact CG1-CG 3.56Å; V497-F574 HydrophobicContact CG2-CD2 4.39Å; D499-F574 HydrophobicContact CB-CB 3.92Å; F574-M576 HydrophobicContact CD2-SD 4.37Å; F574-M576 HydrophobicContact CE2-CG 4.45Å; F574-M576 HydrophobicContact CE2-SD 3.81Å
575	L	88	Confident	85.6	Confident	22 Å²	22	75.9 Å²	75.9	12%	0.115	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.8	173	178.1	70.7	0	0	0	110	V372 I375 W379 F498 W577	V372-L575 HydrophobicContact CG1-CD2 4.44Å; V372-L575 HydrophobicContact CG2-CD2 4.01Å; I375-L575 HydrophobicContact CD1-CD2 4.05Å; I375-L575 HydrophobicContact CG2-CD1 3.8Å; W379-L575 HydrophobicContact CH2-CB 4.38Å; F498-L575 HydrophobicContact CB-CB 4.22Å; F498-L575 PolarHBondContact N-O 3.49Å; F498-L575 PolarHBondContact O-N 2.74Å; L575-W577 PolarHBondContact O-N 2.87Å
576	M	85.4	Confident	85.8	Confident	100 Å²	100	68 Å²	68	49%	0.493	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.4	169.9	-70.4	-58.5	-56.7	0	0	109.5	Y492 R496 F574	Y492-M576 HydrophobicContact CD1-SD 4.01Å; Y492-M576 HydrophobicContact CE1-SD 3.88Å; R496-M576 HydrophobicContact CB-CE 3.93Å; R496-M576 CarbonylContact O-C 3.58Å; R496-M576 WeakPolarHBondContact O-CA 3.42Å; R496-M576 WeakPolarHBondContact O-CE 3.3Å; F574-M576 HydrophobicContact CD2-SD 4.37Å; F574-M576 HydrophobicContact CE2-CG 4.45Å; F574-M576 HydrophobicContact CE2-SD 3.81Å
577	W	82.3	Confident	86	Confident	24 Å²	24	70.7 Å²	70.7	9%	0.091	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-80.7	135.9	-174.3	-178.4	-118.3	0	0	0	112.2	F72 T368 V372 L436 R496 F498 L575 L581	F72-W577 AromaticContact CE1-CD1 3.46Å; F72-W577 VanDerWaalsContact CE1-CD1 3.46Å; F72-W577 HydrophobicContact CE1-CG 4.46Å; F72-W577 AromaticContact CE1-NE1 3.25Å; F72-W577 VanDerWaalsContact CE1-NE1 3.25Å; F72-W577 HydrophobicContact CE2-CZ2 4.43Å; F72-W577 AromaticContact CE2-NE1 3.95Å; F72-W577 AromaticContact CZ-CD1 3.68Å; F72-W577 HydrophobicContact CZ-CD2 4.49Å; F72-W577 AromaticContact CZ-CE2 3.52Å; F72-W577 AromaticContact CZ-CZ2 3.88Å; F72-W577 HydrophobicContact CZ-CZ2 3.88Å; F72-W577 AromaticContact CZ-NE1 2.97Å; T368-W577 HydrophobicContact CG2-CH2 3.31Å; T368-W577 HydrophobicContact CG2-CZ2 4.45Å; T368-W577 HydrophobicContact CG2-CZ3 3.57Å; V372-W577 HydrophobicContact CG2-CZ3 4.44Å; L436-W577 HydrophobicContact CB-CZ2 4.25Å; L436-W577 HydrophobicContact CD1-CB 4.5Å; L436-W577 HydrophobicContact CD1-CD2 3.94Å; L436-W577 HydrophobicContact CD1-CE3 4.31Å; L436-W577 HydrophobicContact CD1-CG 4.01Å; L436-W577 HydrophobicContact CD2-CG 4.32Å; R496-W577 PolarHBondContact O-N 3.4Å; F498-W577 HydrophobicContact CB-CB 4.44Å; F498-W577 HydrophobicContact CB-CE3 4.34Å; F498-W577 AromaticContact CD2-CE3 3.77Å; F498-W577 HydrophobicContact CD2-CE3 3.77Å; F498-W577 AromaticContact CD2-CZ3 3.93Å; F498-W577 HydrophobicContact CD2-CZ3 3.93Å; F498-W577 HydrophobicContact CE2-CZ3 4.44Å; L575-W577 PolarHBondContact O-N 2.87Å; W577-L581 HydrophobicContact CE3-CD2 4.24Å; W577-L581 HydrophobicContact CH2-CD1 3.7Å; W577-L581 HydrophobicContact CH2-CG 4.31Å; W577-L581 HydrophobicContact CZ3-CD1 3.67Å; W577-L581 HydrophobicContact CZ3-CD2 3.84Å; W577-L581 HydrophobicContact CZ3-CG 4.13Å
578	S	79.6	Confident	86	Confident	49 Å²	49	63.9 Å²	63.9	34%	0.343	32%	0.32	S	S	.	.			trans	-142.6	156.7	174.3	75.8	0	0	0	0	110.6	D580	S578-D580 PolarHBondContact O-N 3.43Å; S578-D580 PolarHBondContact OG-N 3.33Å; S578-D580 PolarHBondContact OG-O 3.19Å
579	N	74.7	Confident	85.6	Confident	77 Å²	77	65.2 Å²	65.2	41%	0.412	33%	0.325	S	S	.	.	S	Bend	trans	-68.6	-28.6	170.1	-49.1	42.6	0	0	0	111.8	F72 L581	F72-N579 WeakPolarHBondContact CB-ND2 3.37Å; F72-N579 WeakPolarHBondContact CB-OD1 3.17Å; F72-N579 WeakPolarHBondContact CD1-OD1 3.15Å; F72-N579 HydrophobicContact CD2-CB 4.18Å; F72-N579 WeakPolarHBondContact CD2-ND2 3.3Å; F72-N579 WeakPolarHBondContact CD2-OD1 3.18Å; F72-N579 WeakPolarHBondContact CE1-OD1 3.29Å; F72-N579 HydrophobicContact CE2-CB 3.83Å; F72-N579 WeakPolarHBondContact CE2-ND2 3.49Å; F72-N579 WeakPolarHBondContact CE2-OD1 3.19Å; F72-N579 WeakPolarHBondContact CG-ND2 3.35Å; F72-N579 WeakPolarHBondContact CG-OD1 3.34Å; F72-N579 HydrophobicContact CZ-CB 3.98Å; F72-N579 VanDerWaalsContact CZ-CG 3.43Å; F72-N579 VanDerWaalsContact CZ-N 3.32Å; F72-N579 WeakPolarHBondContact CZ-OD1 3.32Å; N579-L581 VanDerWaalsContact C-N 3.27Å; N579-L581 PolarHBondContact O-N 2.83Å; N579-L581 VanDerWaalsContact O-N 3.17Å
580	D	82.2	Confident	84.3	Confident	146 Å²	146	70.1 Å²	70.1	78%	0.781	34%	0.344	S	S	*	.	S	Bend	trans	-93.4	70	-173.2	-161.6	18	0	0	0	108.7	S578	S578-D580 PolarHBondContact O-N 3.43Å; S578-D580 PolarHBondContact OG-N 3.33Å; S578-D580 PolarHBondContact OG-O 3.19Å
581	L	84.4	Confident	82.4	Confident	26 Å²	26	71.6 Å²	71.6	14%	0.136	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-74.4	140.4	176	-71.4	-178.4	0	0	0	110	T368 T371 W577 N579	T368-L581 HydrophobicContact CG2-CD1 4.22Å; T371-L581 HydrophobicContact CG2-CB 3.96Å; T371-L581 HydrophobicContact CG2-CD1 4.43Å; W577-L581 HydrophobicContact CE3-CD2 4.24Å; W577-L581 HydrophobicContact CH2-CD1 3.7Å; W577-L581 HydrophobicContact CH2-CG 4.31Å; W577-L581 HydrophobicContact CZ3-CD1 3.67Å; W577-L581 HydrophobicContact CZ3-CD2 3.84Å; W577-L581 HydrophobicContact CZ3-CG 4.13Å; N579-L581 VanDerWaalsContact C-N 3.27Å; N579-L581 PolarHBondContact O-N 2.83Å; N579-L581 VanDerWaalsContact O-N 3.17Å
582	P	89.2	Confident	82.2	Confident	29 Å²	29	72.6 Å²	72.6	19%	0.188	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-63.7	160.8	176.9	29	-35.8	0	0	0	111.9	T371 I375 L561 I566 A584	T371-P582 HydrophobicContact CG2-CG 3.82Å; T371-P582 VanDerWaalsContact CG2-O 3.23Å; T371-P582 WeakPolarHBondContact CG2-O 3.26Å; T371-P582 PolarHBondContact OG1-O 3.27Å; I375-P582 HydrophobicContact CD1-CG 3.74Å; I375-P582 HydrophobicContact CG1-CG 4.05Å; L561-P582 HydrophobicContact CD2-CB 4.11Å; L561-P582 HydrophobicContact CD2-CG 3.78Å; I566-P582 HydrophobicContact CD1-CB 3.42Å; I566-P582 VanDerWaalsContact CD1-CB 3.42Å; I566-P582 HydrophobicContact CD1-CG 4.29Å; P582-A584 PolarHBondContact O-N 2.88Å
583	K	89	Confident	82.1	Confident	125 Å²	125	71.9 Å²	71.9	54%	0.543	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-73.3	131.1	176.9	-69.8	177.8	-177.3	167	0	110.3	T562	T562-K583 PolarHBondContact N-O 3.03Å; T562-K583 WeakPolarHBondContact OG1-CB 3.42Å; T562-K583 PolarHBondContact OG1-O 3.5Å
584	A	91.2	Very high	82	Confident	7 Å²	7	70.1 Å²	70.1	6%	0.058	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158.3	172.5	0	0	0	0	0	110	F188 A374 Y560 P582	F188-A584 WeakPolarHBondContact CD1-O 2.93Å; A374-A584 HydrophobicContact CB-CB 3.86Å; Y560-A584 CarbonylContact O-C 3.45Å; Y560-A584 WeakPolarHBondContact O-CA 3.34Å; Y560-A584 WeakPolarHBondContact O-CB 3.12Å; P582-A584 PolarHBondContact O-N 2.88Å
585	D	91.9	Very high	81.8	Confident	19 Å²	19	70.9 Å²	70.9	10%	0.102	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	173.1	175.9	-155.5	-19.6	0	0	0	109.3	F188 R191 S559 Y560 T562	F188-D585 HydrophobicContact CD2-CB 4.45Å; F188-D585 WeakPolarHBondContact CD2-OD1 3.21Å; F188-D585 HydrophobicContact CG-CB 4.47Å; R191-D585 IonicContact CZ-OD1 3.98Å; R191-D585 IonicContact NH1-OD1 2.99Å; R191-D585 IonicContact NH2-OD1 3.67Å; R191-D585 PolarHBondContact NH2-OD1 2.94Å; R191-D585 IonicContact NH2-OD2 3.79Å; R191-D585 PolarHBondContact NH2-OD2 3Å; S559-D585 WeakPolarHBondContact CA-O 3.49Å; Y560-D585 WeakPolarHBondContact CD1-O 3.29Å; Y560-D585 HydrophobicContact CE1-CB 3.86Å; Y560-D585 HydrophobicContact CE2-CB 4.23Å; Y560-D585 PolarHBondContact N-O 3.46Å; Y560-D585 PolarHBondContact O-N 2.91Å; T562-D585 HydrophobicContact CG2-CB 3.61Å
586	L	91.1	Very high	81.4	Confident	6 Å²	6	74 Å²	74	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139	-179.4	-79.8	173.9	0	0	0	110.7	L179 F188 L370 F552 W557 E558	L179-L586 HydrophobicContact CD1-CD1 3.97Å; F188-L586 HydrophobicContact CE2-CB 4.28Å; F188-L586 HydrophobicContact CE2-CD1 4.14Å; F188-L586 HydrophobicContact CE2-CG 4.15Å; F188-L586 HydrophobicContact CZ-CD1 4.29Å; F188-L586 HydrophobicContact CZ-CG 4.33Å; L370-L586 HydrophobicContact CD1-CD1 3.88Å; L370-L586 HydrophobicContact CD1-CG 4.21Å; L370-L586 HydrophobicContact CD2-CD1 4.43Å; L370-L586 HydrophobicContact CD2-CD2 3.94Å; L370-L586 HydrophobicContact CD2-CG 4.45Å; F552-L586 HydrophobicContact CD2-CD1 4.05Å; F552-L586 HydrophobicContact CE2-CD1 3.75Å; W557-L586 HydrophobicContact CE3-CB 3.88Å; W557-L586 HydrophobicContact CE3-CD1 4.39Å; W557-L586 HydrophobicContact CE3-CD2 4.48Å; W557-L586 HydrophobicContact CE3-CG 4.5Å; W557-L586 HydrophobicContact CZ3-CB 4Å; E558-L586 CarbonylContact O-C 3.43Å; E558-L586 VanDerWaalsContact O-CA 3.31Å; E558-L586 WeakPolarHBondContact O-CA 3.44Å
587	R	89.1	Confident	81.1	Confident	122 Å²	122	72.3 Å²	72.3	46%	0.46	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.9	169.6	66.1	-174.4	-175	-173.8	1.3	110.1	W557 E558 Y560	W557-R587 CarbonylContact C-O 3.42Å; W557-R587 WeakPolarHBondContact CA-O 3.38Å; E558-R587 HydrophobicContact CB-CG 3.87Å; E558-R587 HydrophobicContact CG-CG 4.33Å; E558-R587 PolarHBondContact N-O 2.9Å; E558-R587 PolarHBondContact O-N 3.38Å; E558-R587 IonicContact OE2-CZ 3.45Å; E558-R587 VanDerWaalsContact OE2-CZ 3.24Å; E558-R587 IonicContact OE2-NE 2.74Å; E558-R587 PolarHBondContact OE2-NE 3.03Å; E558-R587 IonicContact OE2-NH2 3.99Å; E558-R587 PolarHBondContact OE2-NH2 3.14Å; Y560-R587 HydrophobicContact CD1-CB 4.14Å; Y560-R587 HydrophobicContact CD1-CG 3.76Å; Y560-R587 HydrophobicContact CE1-CB 3.75Å; Y560-R587 HydrophobicContact CE1-CG 3.89Å
588	I	85.5	Confident	81.1	Confident	40 Å²	40	75.7 Å²	75.7	21%	0.205	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.5	170.8	-59.3	157.6	0	0	0	106.5	P172 V180 A556 W557 F590	P172-I588 HydrophobicContact CB-CD1 3.59Å; P172-I588 HydrophobicContact CG-CD1 3.34Å; P172-I588 HydrophobicContact CG-CG1 4.26Å; V180-I588 HydrophobicContact CG2-CD1 3.82Å; A556-I588 HydrophobicContact CB-CG2 4.49Å; W557-I588 HydrophobicContact CD2-CG1 3.91Å; W557-I588 HydrophobicContact CE3-CG1 3.95Å; W557-I588 HydrophobicContact CH2-CD1 4.08Å; W557-I588 HydrophobicContact CH2-CG1 4.02Å; W557-I588 HydrophobicContact CZ2-CD1 3.99Å; W557-I588 HydrophobicContact CZ2-CG1 3.95Å; W557-I588 HydrophobicContact CZ3-CG1 4.02Å; I588-F590 HydrophobicContact CB-CE2 4.34Å; I588-F590 HydrophobicContact CG2-CD1 4.29Å; I588-F590 HydrophobicContact CG2-CD2 3.88Å; I588-F590 HydrophobicContact CG2-CE1 4Å; I588-F590 HydrophobicContact CG2-CE2 3.56Å; I588-F590 HydrophobicContact CG2-CG 4.24Å; I588-F590 HydrophobicContact CG2-CZ 3.62Å
589	N	77.2	Confident	81.2	Confident	79 Å²	79	77.8 Å²	77.8	42%	0.422	40%	0.399	S	S	.	.			trans	-101.8	87.7	176.5	-168.2	6.2	0	0	0	107.6	A556 E558 P591	A556-N589 PolarHBondContact O-N 3.16Å; E558-N589 HydrophobicContact CB-CB 4.29Å; E558-N589 PolarHBondContact OE2-ND2 3.01Å; E558-N589 VanDerWaalsContact OE2-ND2 3.16Å; N589-P591 WeakPolarHBondContact O-CD 3.38Å
590	F	63.3	Low	81.7	Confident	158 Å²	158	77.8 Å²	77.8	69%	0.693	40%	0.397	S	S	*	.			trans	-63	121.4	171.6	-68.5	-74.2	0	0	0	108	I588	I588-F590 HydrophobicContact CB-CE2 4.34Å; I588-F590 HydrophobicContact CG2-CD1 4.29Å; I588-F590 HydrophobicContact CG2-CD2 3.88Å; I588-F590 HydrophobicContact CG2-CE1 4Å; I588-F590 HydrophobicContact CG2-CE2 3.56Å; I588-F590 HydrophobicContact CG2-CG 4.24Å; I588-F590 HydrophobicContact CG2-CZ 3.62Å
591	P	46.7	Very low	81.7	Confident	177 Å²	177	71.6 Å²	71.6	100%	1.149	36%	0.363	S	S	*	.			trans	-62	0	175.5	26.7	-33.6	0	0	0	112.5	N589	N589-P591 WeakPolarHBondContact O-CD 3.38Å

Retrieved 591 of 591 residues in 1123.5 ms (Link to these results)

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