A0A096NP12_PAPAN Loading...

Potassium voltage-gated channel interacting protein 1

AlphaFold DB (Q9NZI2), UniProt , Accession A0A096NP12, Species PAPAN (Papio anubis, Olive baboon), Gene KCNIP1, Length 227 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	31.8	Very low	33.8	Very low	247 Å²	247	132.4 Å²	132.4	100%	1.217	82%	0.823	S	S	*	*				0	124.7	0	-73.3	-163.4	-138.9	0	0	108.6
2	G	32.1	Very low	34.1	Very low	83 Å²	83	136.7 Å²	136.7	86%	0.856	83%	0.826	S	S	*	*			trans	67.5	140.4	161.1	0	0	0	0	0	117.2
3	A	34.7	Very low	34.2	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	82%	0.815	S	S	*	*			cis	-170	135.1	-3	0	0	0	0	0	106.8
4	V	31.6	Very low	34.4	Very low	130 Å²	130	140 Å²	140	79%	0.788	82%	0.822	S	S	*	*			trans	60.8	102.7	131	-173.7	0	0	0	0	116.8
5	M	34.8	Very low	34.4	Very low	158 Å²	158	142.2 Å²	142.2	78%	0.778	82%	0.821	S	S	*	*				55.4	80.2	93.4	-78.4	-102.6	-93.5	0	0	113.9	T7	M5-T7 HydrophobicContact SD-CG2 3.59Å; M5-T7 VanDerWaalsContact SD-CG2 3.59Å
6	G	37	Very low	34.6	Very low	84 Å²	84	148.2 Å²	148.2	87%	0.866	83%	0.826	S	S	*	*			trans	-108.9	73	151.7	0	0	0	0	0	108.8
7	T	35.8	Very low	35.3	Very low	97 Å²	97	153.1 Å²	153.1	60%	0.595	83%	0.829	S	S	*	*			trans	-64	131.2	170.8	42.8	0	0	0	0	110.7	M5	M5-T7 HydrophobicContact SD-CG2 3.59Å; M5-T7 VanDerWaalsContact SD-CG2 3.59Å
8	F	31.9	Very low	36	Very low	182 Å²	182	151.3 Å²	151.3	80%	0.798	83%	0.826	S	S	*	*			trans	40.8	94.3	139.4	-83.6	-99.3	0	0	0	117.4	L11	F8-L11 HydrophobicContact CE1-CD1 4.28Å
9	S	35.2	Very low	37.1	Very low	128 Å²	128	148.2 Å²	148.2	90%	0.895	82%	0.816	S	S	*	*				-172.4	72.9	128.6	-138.8	0	0	0	0	112.5
10	S	35.1	Very low	38.3	Very low	101 Å²	101	146.9 Å²	146.9	71%	0.706	80%	0.802	S	S	*	*			trans	-153.6	44.3	155	61.4	0	0	0	0	112	Q12	S10-Q12 PolarHBondContact O-N 2.66Å; S10-Q12 VanDerWaalsContact O-N 3.1Å
11	L	32	Very low	40.1	Very low	158 Å²	158	144.7 Å²	144.7	83%	0.827	79%	0.79	S	S	*	*			trans	-69	16.9	155	-97.7	158.9	0	0	0	112.6	F8	F8-L11 HydrophobicContact CE1-CD1 4.28Å
12	Q	37.5	Very low	42	Very low	184 Å²	184	140.1 Å²	140.1	86%	0.86	77%	0.768	S	S	*	*			trans	-126.5	64.6	172.2	-73.4	-165.8	-17.3	0	0	111.1	S10	S10-Q12 PolarHBondContact O-N 2.66Å; S10-Q12 VanDerWaalsContact O-N 3.1Å
13	T	35.1	Very low	43.7	Very low	111 Å²	111	139 Å²	139	68%	0.681	75%	0.752	S	S	*	*			trans	-149.9	72.6	140.8	24	0	0	0	0	106.3	Q15	T13-Q15 PolarHBondContact O-N 2.94Å
14	K	37.8	Very low	45.5	Very low	209 Å²	209	140.9 Å²	140.9	91%	0.909	74%	0.74	S	S	*	*			trans	-59	83.3	152.5	-150.4	174.7	-168.7	177.4	0	104.5	R16	K14-R16 PolarHBondContact O-N 2.92Å
15	Q	34.3	Very low	47.5	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	73%	0.731	S	S	*	*			trans	-52.9	115	-177.4	-83.4	-169.6	-9.9	0	0	105.9	T13 R17	T13-Q15 PolarHBondContact O-N 2.94Å; Q15-R17 PolarHBondContact O-N 2.9Å
16	R	37.4	Very low	48.6	Very low	238 Å²	238	141.5 Å²	141.5	90%	0.898	72%	0.72	S	S	*	*			trans	-45	118.4	174.1	-76.2	176.1	155.9	-170.6	-6.8	106.8	K14	K14-R16 PolarHBondContact O-N 2.92Å
17	R	46	Very low	50.1	Low	232 Å²	232	145.9 Å²	145.9	88%	0.875	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-49.6	128.4	164.9	-75.1	-174.4	176.4	-173.1	-1.3	106.2	Q15 S19	Q15-R17 PolarHBondContact O-N 2.9Å; R17-S19 PolarHBondContact O-N 3.23Å
18	P	48.6	Very low	51.6	Low	120 Å²	120	143.9 Å²	143.9	78%	0.779	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-53.4	129.2	-175.6	18.1	-28.9	0	0	0	108.9	K20	P18-K20 PolarHBondContact O-N 3.2Å; P18-K20 VanDerWaalsContact O-N 3.16Å
19	S	55.5	Low	53.2	Low	92 Å²	92	141 Å²	141	64%	0.643	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.5	121.7	173.2	179.3	0	0	0	0	107.3	R17 D21	R17-S19 PolarHBondContact O-N 3.23Å; S19-D21 VanDerWaalsContact CB-OD1 3.32Å; S19-D21 WeakPolarHBondContact CB-OD1 3.34Å; S19-D21 PolarHBondContact O-N 2.86Å; S19-D21 PolarHBondContact OG-OD1 2.73Å
20	K	61.6	Low	54.5	Low	123 Å²	123	137.6 Å²	137.6	54%	0.535	65%	0.65	S	S	.	*			trans	-70.8	83.5	174.1	-69.9	-176.5	173.8	-172.7	0	107.6	P18 W24 W25	P18-K20 PolarHBondContact O-N 3.2Å; P18-K20 VanDerWaalsContact O-N 3.16Å; K20-W24 HydrophobicContact CB-CE3 4.31Å; K20-W24 HydrophobicContact CD-CE3 4.01Å; K20-W24 HydrophobicContact CD-CZ3 3.91Å; K20-W24 HydrophobicContact CG-CD2 4.35Å; K20-W24 HydrophobicContact CG-CE3 4.03Å; K20-W24 HydrophobicContact CG-CZ3 4.39Å; K20-W25 PolarHBondContact O-NE1 2.87Å
21	D	76.1	Confident	56.3	Low	101 Å²	101	138.7 Å²	138.7	54%	0.54	64%	0.639	S	S	.	*			trans	-72.5	166.3	179.1	-66.4	-10.3	0	0	0	110.7	S19 A23 W24 W25	S19-D21 VanDerWaalsContact CB-OD1 3.32Å; S19-D21 WeakPolarHBondContact CB-OD1 3.34Å; S19-D21 PolarHBondContact O-N 2.86Å; S19-D21 PolarHBondContact OG-OD1 2.73Å; D21-A23 PolarHBondContact O-N 3.26Å; D21-A23 VanDerWaalsContact O-N 3.1Å; D21-W24 WeakPolarHBondContact O-CA 3.4Å; D21-W24 WeakPolarHBondContact O-CB 3Å; D21-W24 PolarHBondContact O-N 3.09Å; D21-W25 PolarHBondContact O-N 3.18Å
22	I	71.1	Confident	58.1	Low	150 Å²	150	133.8 Å²	133.8	77%	0.769	61%	0.614	S	S	*	*	H	α-helix	trans	-53.5	-35.3	-176.3	-66	167.6	0	0	0	112	W24 W25 Y26	I22-W24 PolarHBondContact O-N 3.4Å; I22-W25 PolarHBondContact O-N 3.33Å; I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 3.18Å
23	A	69.3	Low	59.6	Low	61 Å²	61	129.5 Å²	129.5	50%	0.504	59%	0.592	S	S	.	*	H	α-helix	trans	-61.5	-42.4	175.9	0	0	0	0	0	112	D21 Y26 Y27	D21-A23 PolarHBondContact O-N 3.26Å; D21-A23 VanDerWaalsContact O-N 3.1Å; A23-Y26 PolarHBondContact O-N 3.15Å; A23-Y27 WeakPolarHBondContact O-CB 3.33Å; A23-Y27 VanDerWaalsContact O-CD2 3.23Å; A23-Y27 WeakPolarHBondContact O-CD2 3.23Å; A23-Y27 PolarHBondContact O-N 3.27Å
24	W	72.6	Confident	60.9	Low	126 Å²	126	129 Å²	129	48%	0.477	58%	0.584	S	S	.	*	H	α-helix	trans	-65.3	-41.4	177.4	-163	91.1	0	0	0	111.2	K20 D21 I22 Y27 Q28	K20-W24 HydrophobicContact CB-CE3 4.31Å; K20-W24 HydrophobicContact CD-CE3 4.01Å; K20-W24 HydrophobicContact CD-CZ3 3.91Å; K20-W24 HydrophobicContact CG-CD2 4.35Å; K20-W24 HydrophobicContact CG-CE3 4.03Å; K20-W24 HydrophobicContact CG-CZ3 4.39Å; D21-W24 WeakPolarHBondContact O-CA 3.4Å; D21-W24 WeakPolarHBondContact O-CB 3Å; D21-W24 PolarHBondContact O-N 3.09Å; I22-W24 PolarHBondContact O-N 3.4Å; W24-Y27 PolarHBondContact O-N 2.9Å; W24-Q28 HydrophobicContact CZ3-CB 4.3Å; W24-Q28 HydrophobicContact CZ3-CG 4.44Å; W24-Q28 WeakPolarHBondContact O-CB 3.24Å; W24-Q28 PolarHBondContact O-N 3.42Å
25	W	72.1	Confident	62.1	Low	162 Å²	162	123.2 Å²	123.2	61%	0.614	56%	0.561	S	S	*	*	H	α-helix	trans	-61.6	-42.1	172.8	-79.1	100	0	0	0	112.8	K20 D21 I22 Y29	K20-W25 PolarHBondContact O-NE1 2.87Å; D21-W25 PolarHBondContact O-N 3.18Å; I22-W25 PolarHBondContact O-N 3.33Å; W25-Y29 VanDerWaalsContact O-CB 3.29Å; W25-Y29 WeakPolarHBondContact O-CB 3.47Å; W25-Y29 PolarHBondContact O-N 2.81Å
26	Y	58.8	Low	63.3	Low	139 Å²	139	116.4 Å²	116.4	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-42.7	178.5	-172.3	-97.6	0	0	0	112.1	I22 A23 Y29 Q30	I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 3.18Å; A23-Y26 PolarHBondContact O-N 3.15Å; Y26-Y29 PolarHBondContact O-N 3.11Å; Y26-Q30 HydrophobicContact CD1-CG 4.06Å; Y26-Q30 HydrophobicContact CE1-CG 3.7Å; Y26-Q30 HydrophobicContact CE2-CG 4.48Å; Y26-Q30 VanDerWaalsContact CZ-NE2 3.35Å; Y26-Q30 WeakPolarHBondContact O-CB 3.38Å; Y26-Q30 WeakPolarHBondContact O-CG 3.09Å; Y26-Q30 PolarHBondContact O-N 2.93Å; Y26-Q30 PolarHBondContact OH-NE2 2.91Å
27	Y	68.3	Low	64.4	Low	177 Å²	177	110.3 Å²	110.3	69%	0.694	51%	0.511	S	S	*	.	H	α-helix	trans	-62.5	-43.6	175	-91.4	-72.8	0	0	0	111.9	A23 W24 Q30 R31	A23-Y27 WeakPolarHBondContact O-CB 3.33Å; A23-Y27 VanDerWaalsContact O-CD2 3.23Å; A23-Y27 WeakPolarHBondContact O-CD2 3.23Å; A23-Y27 PolarHBondContact O-N 3.27Å; W24-Y27 PolarHBondContact O-N 2.9Å; Y27-Q30 PolarHBondContact O-N 2.86Å; Y27-R31 WeakPolarHBondContact O-CB 3.38Å; Y27-R31 PolarHBondContact O-N 3.17Å
28	Q	68.3	Low	64.8	Low	54 Å²	54	103.7 Å²	103.7	25%	0.252	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.5	-167.7	68.1	32.1	0	0	111	W24 Q30 R31 D32	W24-Q28 HydrophobicContact CZ3-CB 4.3Å; W24-Q28 HydrophobicContact CZ3-CG 4.44Å; W24-Q28 WeakPolarHBondContact O-CB 3.24Å; W24-Q28 PolarHBondContact O-N 3.42Å; Q28-Q30 PolarHBondContact O-N 3.42Å; Q28-R31 PolarHBondContact O-N 3.23Å; Q28-D32 PolarHBondContact NE2-OD1 3.15Å; Q28-D32 WeakPolarHBondContact O-CA 3.26Å; Q28-D32 VanDerWaalsContact O-CG 3.31Å; Q28-D32 PolarHBondContact O-N 2.99Å
29	Y	65.7	Low	65.3	Low	123 Å²	123	102.6 Å²	102.6	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-61.3	-41	177.3	178.8	-99.7	0	0	0	113	W25 Y26 K33	W25-Y29 VanDerWaalsContact O-CB 3.29Å; W25-Y29 WeakPolarHBondContact O-CB 3.47Å; W25-Y29 PolarHBondContact O-N 2.81Å; Y26-Y29 PolarHBondContact O-N 3.11Å; Y29-K33 WeakPolarHBondContact O-CB 3.18Å; Y29-K33 PolarHBondContact O-N 2.85Å
30	Q	62.3	Low	65.2	Low	55 Å²	55	101 Å²	101	26%	0.257	46%	0.46	S	S	.	.	H	α-helix	trans	-71.1	-40.2	177.1	-72.2	-68.5	-3.4	0	0	112.1	Y26 Y27 Q28 K33 I34	Y26-Q30 HydrophobicContact CD1-CG 4.06Å; Y26-Q30 HydrophobicContact CE1-CG 3.7Å; Y26-Q30 HydrophobicContact CE2-CG 4.48Å; Y26-Q30 VanDerWaalsContact CZ-NE2 3.35Å; Y26-Q30 WeakPolarHBondContact O-CB 3.38Å; Y26-Q30 WeakPolarHBondContact O-CG 3.09Å; Y26-Q30 PolarHBondContact O-N 2.93Å; Y26-Q30 PolarHBondContact OH-NE2 2.91Å; Y27-Q30 PolarHBondContact O-N 2.86Å; Q28-Q30 PolarHBondContact O-N 3.42Å; Q30-K33 PolarHBondContact O-N 2.92Å; Q30-I34 WeakPolarHBondContact O-CB 3.41Å; Q30-I34 WeakPolarHBondContact O-CD1 3.39Å; Q30-I34 WeakPolarHBondContact O-CG1 3.42Å; Q30-I34 PolarHBondContact O-N 3.35Å
31	R	72.5	Confident	64.6	Low	124 Å²	124	100.3 Å²	100.3	47%	0.468	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-47.1	175	-166.7	-167.1	72.6	147.3	14.7	110.7	Y27 Q28 K33 I34 E35	Y27-R31 WeakPolarHBondContact O-CB 3.38Å; Y27-R31 PolarHBondContact O-N 3.17Å; Q28-R31 PolarHBondContact O-N 3.23Å; R31-K33 PolarHBondContact O-N 2.85Å; R31-I34 PolarHBondContact O-N 2.87Å; R31-E35 HydrophobicContact CG-CG 4.48Å; R31-E35 IonicContact CZ-OE1 3.71Å; R31-E35 IonicContact NE-OE1 3.58Å; R31-E35 IonicContact NH2-OE2 3.98Å; R31-E35 WeakPolarHBondContact O-CB 3.3Å; R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 3.33Å
32	D	69.2	Low	63.2	Low	56 Å²	56	102.3 Å²	102.3	30%	0.299	48%	0.475	S	S	.	.	H	α-helix	trans	-26.7	-75.2	156.9	55.7	-96.6	0	0	0	110.9	Q28 I34 E35 D36	Q28-D32 PolarHBondContact NE2-OD1 3.15Å; Q28-D32 WeakPolarHBondContact O-CA 3.26Å; Q28-D32 VanDerWaalsContact O-CG 3.31Å; Q28-D32 PolarHBondContact O-N 2.99Å; D32-I34 PolarHBondContact O-N 3.45Å; D32-E35 PolarHBondContact O-N 2.94Å; D32-D36 PolarHBondContact O-N 2.73Å
33	K	68.4	Low	61.9	Low	93 Å²	93	96.5 Å²	96.5	40%	0.404	45%	0.446	S	S	.	.	H	α-helix	trans	-60.5	-36.7	-176.7	-170	-175.6	174.6	-166.3	0	114.7	Y29 Q30 R31 D36 E37	Y29-K33 WeakPolarHBondContact O-CB 3.18Å; Y29-K33 PolarHBondContact O-N 2.85Å; Q30-K33 PolarHBondContact O-N 2.92Å; R31-K33 PolarHBondContact O-N 2.85Å; K33-D36 WeakPolarHBondContact O-CB 3.37Å; K33-D36 PolarHBondContact O-N 2.87Å; K33-E37 WeakPolarHBondContact CE-OE1 3.32Å; K33-E37 IonicContact NZ-OE1 3.55Å; K33-E37 WeakPolarHBondContact O-CG 3.49Å; K33-E37 PolarHBondContact O-N 3.39Å
34	I	62.4	Low	61	Low	100 Å²	100	99.5 Å²	99.5	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-74.6	-42.7	-179.2	-70.1	165	0	0	0	110.5	Q30 R31 D32 D36 E37 L38	Q30-I34 WeakPolarHBondContact O-CB 3.41Å; Q30-I34 WeakPolarHBondContact O-CD1 3.39Å; Q30-I34 WeakPolarHBondContact O-CG1 3.42Å; Q30-I34 PolarHBondContact O-N 3.35Å; R31-I34 PolarHBondContact O-N 2.87Å; D32-I34 PolarHBondContact O-N 3.45Å; I34-D36 PolarHBondContact O-N 2.99Å; I34-E37 PolarHBondContact O-N 2.97Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 PolarHBondContact O-N 3.2Å
35	E	63.3	Low	59.8	Low	89 Å²	89	99.6 Å²	99.6	42%	0.416	47%	0.468	S	S	.	.	H	α-helix	trans	-58.5	-41.6	171.3	-74.8	174.5	-173.2	0	0	109.2	R31 D32 E37 L38 E39	R31-E35 HydrophobicContact CG-CG 4.48Å; R31-E35 IonicContact CZ-OE1 3.71Å; R31-E35 IonicContact NE-OE1 3.58Å; R31-E35 IonicContact NH2-OE2 3.98Å; R31-E35 WeakPolarHBondContact O-CB 3.3Å; R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 3.33Å; D32-E35 PolarHBondContact O-N 2.94Å; E35-E37 PolarHBondContact O-N 3.32Å; E35-L38 PolarHBondContact O-N 3.07Å; E35-E39 WeakPolarHBondContact O-CB 3.17Å; E35-E39 PolarHBondContact O-N 3.32Å
36	D	58.9	Low	58.7	Low	29 Å²	29	101.9 Å²	101.9	16%	0.155	48%	0.476	C	S	.	.	H	α-helix	trans	-60.8	-44	175.6	-56	-14.2	0	0	0	113.3	D32 K33 I34 M40 R69	D32-D36 PolarHBondContact O-N 2.73Å; K33-D36 WeakPolarHBondContact O-CB 3.37Å; K33-D36 PolarHBondContact O-N 2.87Å; I34-D36 PolarHBondContact O-N 2.99Å; D36-M40 WeakPolarHBondContact O-CG 3.41Å; D36-M40 PolarHBondContact O-N 2.85Å; D36-R69 IonicContact OD1-CZ 2.67Å; D36-R69 IonicContact OD1-NE 3.5Å; D36-R69 IonicContact OD1-NH1 2.82Å; D36-R69 PolarHBondContact OD1-NH1 3.44Å; D36-R69 IonicContact OD1-NH2 3.3Å; D36-R69 PolarHBondContact OD1-NH2 2.93Å; D36-R69 IonicContact OD2-CZ 2.82Å; D36-R69 IonicContact OD2-NH1 2.69Å; D36-R69 IonicContact OD2-NH2 2.82Å; D36-R69 PolarHBondContact OD2-NH2 3.46Å
37	E	61.7	Low	58.6	Low	110 Å²	110	96 Å²	96	51%	0.514	46%	0.455	S	S	.	.	H	α-helix	trans	-71.9	-40.1	178	-77.9	178.8	-170.1	0	0	111.6	K33 I34 E35 M40 T41	K33-E37 WeakPolarHBondContact CE-OE1 3.32Å; K33-E37 IonicContact NZ-OE1 3.55Å; K33-E37 WeakPolarHBondContact O-CG 3.49Å; K33-E37 PolarHBondContact O-N 3.39Å; I34-E37 PolarHBondContact O-N 2.97Å; E35-E37 PolarHBondContact O-N 3.32Å; E37-M40 WeakPolarHBondContact O-CB 3.32Å; E37-M40 PolarHBondContact O-N 3.34Å; E37-T41 WeakPolarHBondContact O-CG2 3.24Å; E37-T41 PolarHBondContact O-N 3.25Å
38	L	54.4	Low	58.3	Low	94 Å²	94	91.4 Å²	91.4	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-71.1	-44.3	-176.8	-159.8	82	0	0	0	111.6	I34 E35 M40 T41 M42	I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 PolarHBondContact O-N 3.2Å; E35-L38 PolarHBondContact O-N 3.07Å; L38-M40 PolarHBondContact O-N 3.06Å; L38-T41 PolarHBondContact O-N 3.05Å; L38-T41 PolarHBondContact O-OG1 2.88Å; L38-M42 HydrophobicContact CD1-CE 4.31Å; L38-M42 HydrophobicContact CD2-CE 3.92Å; L38-M42 HydrophobicContact CG-CE 3.87Å; L38-M42 PolarHBondContact O-N 2.79Å
39	E	58.2	Low	58.3	Low	96 Å²	96	90 Å²	90	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-58.8	-37.3	175.6	-168	172.5	-160.5	0	0	110.7	E35 T41 M42 V43	E35-E39 WeakPolarHBondContact O-CB 3.17Å; E35-E39 PolarHBondContact O-N 3.32Å; E39-T41 PolarHBondContact O-N 3.48Å; E39-M42 PolarHBondContact O-N 3.14Å; E39-V43 WeakPolarHBondContact O-CG2 3.39Å
40	M	53.9	Low	58.8	Low	58 Å²	58	85 Å²	85	29%	0.286	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-28.8	174.9	-70.8	-64.1	-60.5	0	0	114.2	D36 E37 L38 Y68	D36-M40 WeakPolarHBondContact O-CG 3.41Å; D36-M40 PolarHBondContact O-N 2.85Å; E37-M40 WeakPolarHBondContact O-CB 3.32Å; E37-M40 PolarHBondContact O-N 3.34Å; L38-M40 PolarHBondContact O-N 3.06Å; M40-Y68 HydrophobicContact SD-CD1 4.01Å; M40-Y68 HydrophobicContact SD-CE1 4.16Å
41	T	49.4	Very low	59.8	Low	110 Å²	110	87.9 Å²	87.9	68%	0.675	44%	0.435	S	S	*	.	H	α-helix	trans	-77.9	-24	177.2	60	0	0	0	0	113.8	E37 L38 E39	E37-T41 WeakPolarHBondContact O-CG2 3.24Å; E37-T41 PolarHBondContact O-N 3.25Å; L38-T41 PolarHBondContact O-N 3.05Å; L38-T41 PolarHBondContact O-OG1 2.88Å; E39-T41 PolarHBondContact O-N 3.48Å
42	M	46.8	Very low	60.5	Low	143 Å²	143	85.8 Å²	85.8	70%	0.704	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7.6	-172.7	-65.3	-174.8	179	0	0	113.9	L38 E39	L38-M42 HydrophobicContact CD1-CE 4.31Å; L38-M42 HydrophobicContact CD2-CE 3.92Å; L38-M42 HydrophobicContact CG-CE 3.87Å; L38-M42 PolarHBondContact O-N 2.79Å; E39-M42 PolarHBondContact O-N 3.14Å
43	V	44.3	Very low	61.4	Low	28 Å²	28	83.1 Å²	83.1	17%	0.17	42%	0.416	C	S	.	.			trans	-81	121.9	-170.1	-168.4	0	0	0	0	112.7	E39 H45 Y68	E39-V43 WeakPolarHBondContact O-CG2 3.39Å; V43-H45 VanDerWaalsContact C-N 3.33Å; V43-H45 WeakPolarHBondContact CG1-O 3.25Å; V43-H45 PolarHBondContact O-N 3.1Å; V43-Y68 WeakPolarHBondContact CG1-OH 3.3Å
44	C	50.2	Low	62.5	Low	124 Å²	124	82.4 Å²	82.4	84%	0.838	41%	0.414	S	S	*	.	S	Bend	trans	-66.3	-28.2	176.1	-164.9	0	0	0	0	113.9
45	H	47.3	Very low	63.9	Low	128 Å²	128	81.8 Å²	81.8	59%	0.593	42%	0.424	S	S	*	.	S	Bend	trans	-120.5	88.5	170.5	-74.2	-72.2	0	0	0	109	V43 P47	V43-H45 VanDerWaalsContact C-N 3.33Å; V43-H45 WeakPolarHBondContact CG1-O 3.25Å; V43-H45 PolarHBondContact O-N 3.1Å; H45-P47 VanDerWaalsContact O-CD 3.24Å; H45-P47 WeakPolarHBondContact O-CD 3.43Å
46	R	49.2	Very low	65.1	Low	209 Å²	209	82.9 Å²	82.9	79%	0.789	43%	0.429	S	S	*	.			trans	-62.8	115.7	169.2	-166.8	176.2	-176	164.1	0.2	106.5
47	P	55.3	Low	66.7	Low	15 Å²	15	82 Å²	82	10%	0.097	43%	0.425	C	S	.	.			trans	-54	157.6	167.3	21.7	-29.2	0	0	0	108.8	H45 G49 L53 Y68 F119	H45-P47 VanDerWaalsContact O-CD 3.24Å; H45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-G49 PolarHBondContact O-N 3.17Å; P47-L53 HydrophobicContact CB-CD1 4.36Å; P47-Y68 HydrophobicContact CG-CD2 4.47Å; P47-Y68 HydrophobicContact CG-CE2 4.05Å; P47-F119 HydrophobicContact CB-CD1 4.18Å; P47-F119 HydrophobicContact CG-CD1 4.42Å
48	E	62.3	Low	68.2	Low	81 Å²	81	80.7 Å²	80.7	38%	0.379	42%	0.421	S	S	.	.	S	Bend	trans	-36.7	132.1	161.6	-77.8	-172.6	173.4	0	0	108.3	L50 Q52 E120	E48-L50 PolarHBondContact O-N 3.48Å; E48-Q52 VanDerWaalsContact OE2-CD 3.26Å; E48-Q52 PolarHBondContact OE2-NE2 2.77Å; E48-E120 HydrophobicContact CB-CG 4.15Å; E48-E120 WeakPolarHBondContact CB-OE1 3.45Å; E48-E120 HydrophobicContact CG-CG 4.43Å; E48-E120 WeakPolarHBondContact CG-OE1 3.37Å; E48-E120 PolarHBondContact N-OE1 2.74Å
49	G	69.1	Low	70	Confident	25 Å²	25	76.8 Å²	76.8	26%	0.258	40%	0.401	S	S	.	.			trans	-46.8	134.7	-163	0	0	0	0	0	110.7	P47 E51 Q52 L53	P47-G49 PolarHBondContact O-N 3.17Å; G49-E51 CarbonylContact O-C 3.59Å; G49-E51 PolarHBondContact O-N 3.09Å; G49-Q52 WeakPolarHBondContact O-CA 3.42Å; G49-Q52 VanDerWaalsContact O-CB 3.32Å; G49-Q52 WeakPolarHBondContact O-CB 3.37Å; G49-Q52 PolarHBondContact O-N 2.93Å; G49-L53 PolarHBondContact O-N 3.02Å
50	L	76.7	Confident	71.5	Confident	17 Å²	17	75.5 Å²	75.5	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-51.2	-27.5	-174.9	-166.9	62.9	0	0	0	112.8	E48 E54 K61 L64 Q65	E48-L50 PolarHBondContact O-N 3.48Å; L50-E54 VanDerWaalsContact O-CB 3.31Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 PolarHBondContact O-N 3.18Å; L50-K61 HydrophobicContact CD2-CD 4.22Å; L50-K61 HydrophobicContact CD2-CG 3.49Å; L50-K61 VanDerWaalsContact CD2-CG 3.49Å; L50-K61 HydrophobicContact CG-CG 3.92Å; L50-L64 HydrophobicContact CD1-CB 3.48Å; L50-L64 VanDerWaalsContact CD1-CB 3.48Å; L50-L64 HydrophobicContact CD1-CD1 3.94Å; L50-L64 HydrophobicContact CD1-CG 4.33Å; L50-Q65 HydrophobicContact CD2-CG 3.83Å
51	E	81.6	Confident	73.3	Confident	116 Å²	116	76.4 Å²	76.4	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-40.4	170.6	-68.9	92.8	-146.2	0	0	114.2	G49 E54 A55 K61	G49-E51 CarbonylContact O-C 3.59Å; G49-E51 PolarHBondContact O-N 3.09Å; E51-E54 PolarHBondContact O-N 3.43Å; E51-A55 WeakPolarHBondContact O-CB 3.47Å; E51-A55 PolarHBondContact O-N 3.4Å; E51-K61 IonicContact OE1-NZ 2.6Å; E51-K61 PolarHBondContact OE1-NZ 2.91Å
52	Q	87.5	Confident	75.2	Confident	81 Å²	81	79.2 Å²	79.2	38%	0.379	40%	0.4	S	S	.	.	H	α-helix	trans	-67.8	-44.8	176.7	-177.2	178	-5.5	0	0	110.9	E48 G49 E54 A55 Q56	E48-Q52 VanDerWaalsContact OE2-CD 3.26Å; E48-Q52 PolarHBondContact OE2-NE2 2.77Å; G49-Q52 WeakPolarHBondContact O-CA 3.42Å; G49-Q52 VanDerWaalsContact O-CB 3.32Å; G49-Q52 WeakPolarHBondContact O-CB 3.37Å; G49-Q52 PolarHBondContact O-N 2.93Å; Q52-E54 VanDerWaalsContact C-N 3.32Å; Q52-E54 PolarHBondContact O-N 3.42Å; Q52-A55 WeakPolarHBondContact O-CB 3.41Å; Q52-A55 PolarHBondContact O-N 3.47Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; Q52-Q56 HydrophobicContact CG-CG 4.4Å; Q52-Q56 VanDerWaalsContact NE2-NE2 3.14Å; Q52-Q56 WeakPolarHBondContact O-CB 3.47Å; Q52-Q56 VanDerWaalsContact O-CG 3.29Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 3.24Å
53	L	89.8	Confident	77.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-39.7	174.3	-75.4	178.5	0	0	0	112	P47 G49 A55 Q56 T57 L64 F119 E120 V123	P47-L53 HydrophobicContact CB-CD1 4.36Å; G49-L53 PolarHBondContact O-N 3.02Å; L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.88Å; L53-Q56 PolarHBondContact O-N 2.88Å; L53-T57 VanDerWaalsContact O-CB 3.3Å; L53-T57 WeakPolarHBondContact O-CB 3.16Å; L53-T57 WeakPolarHBondContact O-CG2 3.34Å; L53-T57 PolarHBondContact O-N 2.73Å; L53-T57 PolarHBondContact O-OG1 3.13Å; L53-L64 HydrophobicContact CB-CD1 3.87Å; L53-L64 HydrophobicContact CB-CD2 4.46Å; L53-F119 HydrophobicContact CD1-CD1 3.92Å; L53-F119 HydrophobicContact CD1-CE1 3.87Å; L53-E120 HydrophobicContact CD1-CG 4.26Å; L53-E120 HydrophobicContact CD2-CB 4.32Å; L53-E120 HydrophobicContact CD2-CG 3.83Å; L53-E120 HydrophobicContact CG-CG 4.4Å; L53-V123 HydrophobicContact CD1-CG2 4.28Å; L53-V123 HydrophobicContact CD2-CG2 3.73Å
54	E	90.8	Very high	79.6	Confident	78 Å²	78	74 Å²	74	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-63.3	-32.9	173.3	-179.3	169.2	-135.3	0	0	112.1	L50 E51 Q52 K61 L64	L50-E54 VanDerWaalsContact O-CB 3.31Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 PolarHBondContact O-N 3.18Å; E51-E54 PolarHBondContact O-N 3.43Å; Q52-E54 VanDerWaalsContact C-N 3.32Å; Q52-E54 PolarHBondContact O-N 3.42Å; E54-K61 WeakPolarHBondContact OE1-CB 3.32Å; E54-K61 PolarHBondContact OE1-N 2.95Å; E54-L64 HydrophobicContact CB-CD1 4.02Å
55	A	90.8	Very high	81.4	Confident	87 Å²	87	70 Å²	70	72%	0.719	34%	0.341	S	S	*	.	H	α-helix	trans	-78	-27.8	176.4	0	0	0	0	0	113.9	E51 Q52 L53	E51-A55 WeakPolarHBondContact O-CB 3.47Å; E51-A55 PolarHBondContact O-N 3.4Å; Q52-A55 WeakPolarHBondContact O-CB 3.41Å; Q52-A55 PolarHBondContact O-N 3.47Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.88Å
56	Q	90.2	Very high	83.4	Confident	112 Å²	112	68.4 Å²	68.4	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-96.3	-19.8	-176	-70	176.8	-9.7	0	0	113.5	Q52 L53	Q52-Q56 HydrophobicContact CG-CG 4.4Å; Q52-Q56 VanDerWaalsContact NE2-NE2 3.14Å; Q52-Q56 WeakPolarHBondContact O-CB 3.47Å; Q52-Q56 VanDerWaalsContact O-CG 3.29Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 3.24Å; L53-Q56 PolarHBondContact O-N 2.88Å
57	T	92.3	Very high	85.4	Confident	11 Å²	11	60.5 Å²	60.5	7%	0.067	31%	0.313	C	S	.	.	S	Bend	trans	-114.4	162.5	-177.3	70.8	0	0	0	0	111.5	L53 F59 V123	L53-T57 VanDerWaalsContact O-CB 3.3Å; L53-T57 WeakPolarHBondContact O-CB 3.16Å; L53-T57 WeakPolarHBondContact O-CG2 3.34Å; L53-T57 PolarHBondContact O-N 2.73Å; L53-T57 PolarHBondContact O-OG1 3.13Å; T57-F59 PolarHBondContact O-N 3.39Å; T57-F59 PolarHBondContact OG1-N 3.13Å; T57-V123 HydrophobicContact CG2-CB 4.49Å; T57-V123 HydrophobicContact CG2-CG2 4.06Å
58	N	91.4	Very high	87	Confident	82 Å²	82	60.6 Å²	60.6	44%	0.439	31%	0.311	S	S	.	.	S	Bend	trans	-82.1	22	174.5	-66	-57.1	0	0	0	112.3	S127 R131	N58-S127 PolarHBondContact N-OG 3.1Å; N58-S127 PolarHBondContact ND2-OG 3.46Å; N58-S127 VanDerWaalsContact ND2-OG 3.17Å; N58-R131 HydrophobicContact CB-CB 3.63Å; N58-R131 HydrophobicContact CB-CG 4.34Å; N58-R131 WeakPolarHBondContact O-CD 3.27Å; N58-R131 PolarHBondContact O-NH1 3.1Å
59	F	92.8	Very high	88.2	Confident	12 Å²	12	59.9 Å²	59.9	5%	0.053	31%	0.305	C	S	.	.			trans	-112	141.8	-177.7	-64	-63.3	0	0	0	111.7	T57 E63 L64 L67 L126 L130 R131	T57-F59 PolarHBondContact O-N 3.39Å; T57-F59 PolarHBondContact OG1-N 3.13Å; F59-E63 HydrophobicContact CB-CB 4.22Å; F59-E63 HydrophobicContact CD1-CB 4.3Å; F59-L64 HydrophobicContact CB-CD2 3.84Å; F59-L64 HydrophobicContact CB-CG 3.8Å; F59-L64 HydrophobicContact CD2-CD2 4.2Å; F59-L64 HydrophobicContact CG-CD2 4.4Å; F59-L67 HydrophobicContact CD1-CD1 4.3Å; F59-L67 HydrophobicContact CD2-CD1 4.06Å; F59-L67 HydrophobicContact CE1-CD1 4.31Å; F59-L67 HydrophobicContact CE2-CD1 4.04Å; F59-L67 HydrophobicContact CG-CD1 4.2Å; F59-L67 HydrophobicContact CZ-CD1 4.19Å; F59-L126 HydrophobicContact CE2-CB 4.04Å; F59-L126 HydrophobicContact CZ-CB 4.06Å; F59-L130 HydrophobicContact CZ-CD1 4.27Å; F59-R131 VanDerWaalsContact CD1-CZ 3.46Å
60	T	91.1	Very high	89.1	Confident	68 Å²	68	60.6 Å²	60.6	42%	0.417	31%	0.312	S	S	.	.			trans	-73.5	159	171.3	63.2	0	0	0	0	111.1	R62 E63 L64	T60-R62 PolarHBondContact O-N 3.2Å; T60-R62 VanDerWaalsContact O-N 3.11Å; T60-E63 PolarHBondContact N-OE2 2.92Å; T60-E63 PolarHBondContact O-N 3.4Å; T60-E63 VanDerWaalsContact OG1-CD 3.32Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.22Å; T60-E63 PolarHBondContact OG1-N 3.43Å; T60-E63 PolarHBondContact OG1-OE2 2.84Å; T60-L64 PolarHBondContact O-N 3.02Å
61	K	90.7	Very high	89.6	Confident	77 Å²	77	60.3 Å²	60.3	34%	0.335	31%	0.311	S	S	.	.	H	α-helix	trans	-47.8	-41.7	173.3	-167.7	165	-171.8	159	0	113.5	L50 E51 E54 Q65	L50-K61 HydrophobicContact CD2-CD 4.22Å; L50-K61 HydrophobicContact CD2-CG 3.49Å; L50-K61 VanDerWaalsContact CD2-CG 3.49Å; L50-K61 HydrophobicContact CG-CG 3.92Å; E51-K61 IonicContact OE1-NZ 2.6Å; E51-K61 PolarHBondContact OE1-NZ 2.91Å; E54-K61 WeakPolarHBondContact OE1-CB 3.32Å; E54-K61 PolarHBondContact OE1-N 2.95Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.25Å; K61-Q65 PolarHBondContact O-N 3.3Å; K61-Q65 VanDerWaalsContact O-N 3.1Å
62	R	90.2	Very high	89.8	Confident	169 Å²	169	56.9 Å²	56.9	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-69	-39.9	179.9	-172.7	177.7	-176.8	-178.9	0.8	112.3	T60 Q65 V66	T60-R62 PolarHBondContact O-N 3.2Å; T60-R62 VanDerWaalsContact O-N 3.11Å; R62-Q65 PolarHBondContact O-N 3.1Å; R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 2.83Å
63	E	90.4	Very high	89.8	Confident	61 Å²	61	58.7 Å²	58.7	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-67.2	-42.8	177.5	-70.5	167.6	142.1	0	0	111	F59 T60 Q65 V66 L67 R131	F59-E63 HydrophobicContact CB-CB 4.22Å; F59-E63 HydrophobicContact CD1-CB 4.3Å; T60-E63 PolarHBondContact N-OE2 2.92Å; T60-E63 PolarHBondContact O-N 3.4Å; T60-E63 VanDerWaalsContact OG1-CD 3.32Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.22Å; T60-E63 PolarHBondContact OG1-N 3.43Å; T60-E63 PolarHBondContact OG1-OE2 2.84Å; E63-Q65 VanDerWaalsContact C-N 3.28Å; E63-Q65 PolarHBondContact O-N 3.45Å; E63-V66 PolarHBondContact O-N 3.26Å; E63-V66 VanDerWaalsContact O-N 3.12Å; E63-L67 WeakPolarHBondContact O-CG 3.23Å; E63-L67 PolarHBondContact O-N 2.53Å; E63-R131 VanDerWaalsContact CD-NH2 3.33Å; E63-R131 IonicContact OE1-CZ 3.47Å; E63-R131 IonicContact OE1-NH1 3.59Å; E63-R131 PolarHBondContact OE1-NH1 3.44Å; E63-R131 IonicContact OE1-NH2 3.64Å; E63-R131 PolarHBondContact OE1-NH2 2.91Å; E63-R131 IonicContact OE2-CZ 2.64Å; E63-R131 IonicContact OE2-NH1 3.44Å; E63-R131 PolarHBondContact OE2-NH1 2.8Å; E63-R131 IonicContact OE2-NH2 2.93Å
64	L	91.5	Very high	89.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.3	-38.7	174.6	-68.6	168.8	0	0	0	111.8	L50 L53 E54 F59 T60 V66 L67 Y68 F119 V123	L50-L64 HydrophobicContact CD1-CB 3.48Å; L50-L64 VanDerWaalsContact CD1-CB 3.48Å; L50-L64 HydrophobicContact CD1-CD1 3.94Å; L50-L64 HydrophobicContact CD1-CG 4.33Å; L53-L64 HydrophobicContact CB-CD1 3.87Å; L53-L64 HydrophobicContact CB-CD2 4.46Å; E54-L64 HydrophobicContact CB-CD1 4.02Å; F59-L64 HydrophobicContact CB-CD2 3.84Å; F59-L64 HydrophobicContact CB-CG 3.8Å; F59-L64 HydrophobicContact CD2-CD2 4.2Å; F59-L64 HydrophobicContact CG-CD2 4.4Å; T60-L64 PolarHBondContact O-N 3.02Å; L64-V66 PolarHBondContact O-N 3.11Å; L64-L67 PolarHBondContact O-N 3.3Å; L64-Y68 VanDerWaalsContact O-CB 3.27Å; L64-Y68 WeakPolarHBondContact O-CB 3.4Å; L64-Y68 PolarHBondContact O-N 2.94Å; L64-F119 WeakPolarHBondContact O-CZ 3.47Å; L64-V123 HydrophobicContact CD2-CB 4.11Å; L64-V123 HydrophobicContact CD2-CG1 3.99Å; L64-V123 HydrophobicContact CD2-CG2 4.32Å
65	Q	89	Confident	89.3	Confident	42 Å²	42	60.6 Å²	60.6	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-39.9	174.5	-73.9	170.9	-31	0	0	113	L50 K61 R62 E63 R69	L50-Q65 HydrophobicContact CD2-CG 3.83Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.25Å; K61-Q65 PolarHBondContact O-N 3.3Å; K61-Q65 VanDerWaalsContact O-N 3.1Å; R62-Q65 PolarHBondContact O-N 3.1Å; E63-Q65 VanDerWaalsContact C-N 3.28Å; E63-Q65 PolarHBondContact O-N 3.45Å; Q65-R69 PolarHBondContact O-N 2.93Å; Q65-R69 VanDerWaalsContact O-N 3.11Å
66	V	89.6	Confident	89	Confident	94 Å²	94	61.1 Å²	61.1	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-68.3	-45.4	177.3	173.4	0	0	0	0	110.4	R62 E63 L64 Y68 R69 G70	R62-V66 WeakPolarHBondContact O-CG2 3.45Å; R62-V66 PolarHBondContact O-N 2.83Å; E63-V66 PolarHBondContact O-N 3.26Å; E63-V66 VanDerWaalsContact O-N 3.12Å; L64-V66 PolarHBondContact O-N 3.11Å; V66-Y68 VanDerWaalsContact C-N 3.31Å; V66-Y68 PolarHBondContact O-N 3.28Å; V66-R69 PolarHBondContact O-N 2.93Å; V66-G70 PolarHBondContact O-N 3.08Å
67	L	90.2	Very high	88.8	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.225	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-42.7	175.3	-70.1	172.8	0	0	0	111.2	F59 E63 L64 R69 G70 F71 F119 V123 L126	F59-L67 HydrophobicContact CD1-CD1 4.3Å; F59-L67 HydrophobicContact CD2-CD1 4.06Å; F59-L67 HydrophobicContact CE1-CD1 4.31Å; F59-L67 HydrophobicContact CE2-CD1 4.04Å; F59-L67 HydrophobicContact CG-CD1 4.2Å; F59-L67 HydrophobicContact CZ-CD1 4.19Å; E63-L67 WeakPolarHBondContact O-CG 3.23Å; E63-L67 PolarHBondContact O-N 2.53Å; L64-L67 PolarHBondContact O-N 3.3Å; L67-R69 PolarHBondContact O-N 3.45Å; L67-G70 PolarHBondContact O-N 3.14Å; L67-F71 WeakPolarHBondContact O-CB 3.48Å; L67-F71 PolarHBondContact O-N 3.34Å; L67-F119 HydrophobicContact CB-CE2 4.05Å; L67-F119 HydrophobicContact CB-CZ 4.11Å; L67-V123 HydrophobicContact CB-CG1 4.49Å; L67-V123 HydrophobicContact CD1-CG1 4.22Å; L67-L126 HydrophobicContact CD2-CD1 4.01Å
68	Y	89.3	Confident	88.5	Confident	16 Å²	16	59.2 Å²	59.2	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-42.6	179.3	-173	-109	0	0	0	112.2	M40 V43 P47 L64 V66 F71 K72 F119	M40-Y68 HydrophobicContact SD-CD1 4.01Å; M40-Y68 HydrophobicContact SD-CE1 4.16Å; V43-Y68 WeakPolarHBondContact CG1-OH 3.3Å; P47-Y68 HydrophobicContact CG-CD2 4.47Å; P47-Y68 HydrophobicContact CG-CE2 4.05Å; L64-Y68 VanDerWaalsContact O-CB 3.27Å; L64-Y68 WeakPolarHBondContact O-CB 3.4Å; L64-Y68 PolarHBondContact O-N 2.94Å; V66-Y68 VanDerWaalsContact C-N 3.31Å; V66-Y68 PolarHBondContact O-N 3.28Å; Y68-F71 PolarHBondContact O-N 3.44Å; Y68-K72 HydrophobicContact CD1-CG 4.2Å; Y68-K72 HydrophobicContact CE1-CG 3.73Å; Y68-K72 HydrophobicContact CE2-CG 4.28Å; Y68-K72 WeakPolarHBondContact O-CB 3.47Å; Y68-K72 PolarHBondContact O-N 3.27Å; Y68-K72 WeakPolarHBondContact OH-CE 3.3Å; Y68-F119 HydrophobicContact CD2-CB 4.29Å; Y68-F119 AromaticContact CD2-CD1 3.65Å; Y68-F119 HydrophobicContact CD2-CD1 3.65Å; Y68-F119 AromaticContact CD2-CD2 3.78Å; Y68-F119 HydrophobicContact CD2-CD2 3.78Å; Y68-F119 AromaticContact CD2-CE1 3.81Å; Y68-F119 HydrophobicContact CD2-CE1 3.81Å; Y68-F119 AromaticContact CD2-CE2 3.96Å; Y68-F119 HydrophobicContact CD2-CE2 3.96Å; Y68-F119 AromaticContact CD2-CG 3.61Å; Y68-F119 HydrophobicContact CD2-CG 3.61Å; Y68-F119 AromaticContact CD2-CZ 3.96Å; Y68-F119 HydrophobicContact CD2-CZ 3.96Å; Y68-F119 HydrophobicContact CE2-CB 4.37Å; Y68-F119 HydrophobicContact CE2-CD1 4.29Å; Y68-F119 HydrophobicContact CE2-CG 4.16Å; Y68-F119 HydrophobicContact CG-CE1 4.38Å; Y68-F119 HydrophobicContact CG-CE2 4.44Å; Y68-F119 HydrophobicContact CG-CZ 4.28Å
69	R	87.8	Confident	88.4	Confident	67 Å²	67	57.9 Å²	57.9	25%	0.253	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-43.9	174.7	-82.2	-177.7	-107.6	175.9	-4.9	112.5	D36 Q65 V66 L67 F71 K72 N73	D36-R69 IonicContact OD1-CZ 2.67Å; D36-R69 IonicContact OD1-NE 3.5Å; D36-R69 IonicContact OD1-NH1 2.82Å; D36-R69 PolarHBondContact OD1-NH1 3.44Å; D36-R69 IonicContact OD1-NH2 3.3Å; D36-R69 PolarHBondContact OD1-NH2 2.93Å; D36-R69 IonicContact OD2-CZ 2.82Å; D36-R69 IonicContact OD2-NH1 2.69Å; D36-R69 IonicContact OD2-NH2 2.82Å; D36-R69 PolarHBondContact OD2-NH2 3.46Å; Q65-R69 PolarHBondContact O-N 2.93Å; Q65-R69 VanDerWaalsContact O-N 3.11Å; V66-R69 PolarHBondContact O-N 2.93Å; L67-R69 PolarHBondContact O-N 3.45Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-F71 PolarHBondContact O-N 3.11Å; R69-K72 PolarHBondContact O-N 2.96Å; R69-N73 WeakPolarHBondContact O-CB 3.29Å; R69-N73 PolarHBondContact O-N 2.97Å; R69-N73 PolarHBondContact O-ND2 2.98Å
70	G	86.8	Confident	88.3	Confident	39 Å²	39	57.7 Å²	57.7	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-49.8	173.5	0	0	0	0	0	111.5	V66 L67 K72 N73 E74	V66-G70 PolarHBondContact O-N 3.08Å; L67-G70 PolarHBondContact O-N 3.14Å; G70-K72 PolarHBondContact O-N 3.12Å; G70-N73 PolarHBondContact O-N 3.16Å; G70-E74 PolarHBondContact O-N 3.09Å
71	F	87.4	Confident	88.4	Confident	12 Å²	12	57.8 Å²	57.8	5%	0.053	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-44.7	178.3	-172	-85.6	0	0	0	112.7	L67 Y68 R69 E74 C75 V80 F119 F122	L67-F71 WeakPolarHBondContact O-CB 3.48Å; L67-F71 PolarHBondContact O-N 3.34Å; Y68-F71 PolarHBondContact O-N 3.44Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-F71 PolarHBondContact O-N 3.11Å; F71-E74 PolarHBondContact O-N 2.58Å; F71-C75 HydrophobicContact CE1-CB 4.42Å; F71-C75 WeakPolarHBondContact O-CA 3.47Å; F71-C75 WeakPolarHBondContact O-CB 2.96Å; F71-C75 PolarHBondContact O-N 2.87Å; F71-V80 HydrophobicContact CD2-CG2 4.34Å; F71-V80 HydrophobicContact CE1-CG2 4.21Å; F71-V80 HydrophobicContact CE2-CG2 3.45Å; F71-V80 VanDerWaalsContact CE2-CG2 3.45Å; F71-V80 HydrophobicContact CZ-CB 4.5Å; F71-V80 HydrophobicContact CZ-CG2 3.36Å; F71-F119 HydrophobicContact CB-CD2 3.86Å; F71-F119 HydrophobicContact CB-CE2 4.19Å; F71-F119 HydrophobicContact CD1-CB 4.36Å; F71-F119 HydrophobicContact CD1-CD2 4.21Å; F71-F119 HydrophobicContact CD2-CD2 4.16Å; F71-F119 HydrophobicContact CE1-CB 4.31Å; F71-F119 AromaticContact CG-CD2 3.83Å; F71-F119 HydrophobicContact CG-CD2 3.83Å; F71-F122 HydrophobicContact CD2-CB 4.16Å; F71-F122 AromaticContact CD2-CD1 3.72Å; F71-F122 HydrophobicContact CD2-CD1 3.72Å; F71-F122 HydrophobicContact CD2-CD2 4.5Å; F71-F122 HydrophobicContact CD2-CE1 4.18Å; F71-F122 AromaticContact CD2-CG 3.88Å; F71-F122 HydrophobicContact CD2-CG 3.88Å; F71-F122 HydrophobicContact CE2-CB 3.89Å; F71-F122 HydrophobicContact CE2-CD1 4.31Å; F71-F122 HydrophobicContact CE2-CG 4.03Å
72	K	87	Confident	88.5	Confident	44 Å²	44	56.6 Å²	56.6	19%	0.191	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-38	177.3	-90.9	-81.5	-172.4	175.2	0	113.3	Y68 R69 G70 E74 C75 P76	Y68-K72 HydrophobicContact CD1-CG 4.2Å; Y68-K72 HydrophobicContact CE1-CG 3.73Å; Y68-K72 HydrophobicContact CE2-CG 4.28Å; Y68-K72 WeakPolarHBondContact O-CB 3.47Å; Y68-K72 PolarHBondContact O-N 3.27Å; Y68-K72 WeakPolarHBondContact OH-CE 3.3Å; R69-K72 PolarHBondContact O-N 2.96Å; G70-K72 PolarHBondContact O-N 3.12Å; K72-E74 VanDerWaalsContact C-N 3.32Å; K72-C75 CarbonylContact O-C 3.22Å; K72-C75 VanDerWaalsContact O-C 3.22Å; K72-C75 PolarHBondContact O-N 3.46Å; K72-P76 PolarHBondContact NZ-O 2.97Å; K72-P76 WeakPolarHBondContact O-CA 3.35Å; K72-P76 VanDerWaalsContact O-N 3.13Å
73	N	87.4	Confident	88.6	Confident	119 Å²	119	54.4 Å²	54.4	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-63.9	-41	178.2	-74.4	-20.5	0	0	0	111.1	R69 G70	R69-N73 WeakPolarHBondContact O-CB 3.29Å; R69-N73 PolarHBondContact O-N 2.97Å; R69-N73 PolarHBondContact O-ND2 2.98Å; G70-N73 PolarHBondContact O-N 3.16Å
74	E	83.9	Confident	88.6	Confident	113 Å²	113	53.5 Å²	53.5	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-78	-33.8	176.1	-61.6	-55.8	141.8	0	0	112.2	G70 F71 K72 I88	G70-E74 PolarHBondContact O-N 3.09Å; F71-E74 PolarHBondContact O-N 2.58Å; K72-E74 VanDerWaalsContact C-N 3.32Å; E74-I88 HydrophobicContact CB-CD1 4.08Å
75	C	85.3	Confident	88.5	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.027	31%	0.306	C	S	.	.			trans	-134.4	82.2	-175.7	-68.9	0	0	0	0	111.9	F71 K72 S77 G78 V80	F71-C75 HydrophobicContact CE1-CB 4.42Å; F71-C75 WeakPolarHBondContact O-CA 3.47Å; F71-C75 WeakPolarHBondContact O-CB 2.96Å; F71-C75 PolarHBondContact O-N 2.87Å; K72-C75 CarbonylContact O-C 3.22Å; K72-C75 VanDerWaalsContact O-C 3.22Å; K72-C75 PolarHBondContact O-N 3.46Å; C75-S77 PolarHBondContact O-N 3.11Å; C75-S77 VanDerWaalsContact O-N 3.13Å; C75-G78 PolarHBondContact O-N 3.09Å; C75-V80 HydrophobicContact CB-CG2 3.94Å; C75-V80 WeakPolarHBondContact SG-CG2 3.27Å
76	P	84.5	Confident	88.6	Confident	98 Å²	98	55.4 Å²	55.4	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.1	-176.4	-27.5	35.6	0	0	0	114.5	K72 G78	K72-P76 PolarHBondContact NZ-O 2.97Å; K72-P76 WeakPolarHBondContact O-CA 3.35Å; K72-P76 VanDerWaalsContact O-N 3.13Å; P76-G78 PolarHBondContact O-N 2.95Å
77	S	86.8	Confident	88.6	Confident	73 Å²	73	57.2 Å²	57.2	51%	0.51	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.6	174.1	53.5	0	0	0	0	113.2	C75 V79	C75-S77 PolarHBondContact O-N 3.11Å; C75-S77 VanDerWaalsContact O-N 3.13Å; S77-V79 VanDerWaalsContact C-N 3.3Å; S77-V79 PolarHBondContact OG-N 3.48Å; S77-V79 PolarHBondContact OG-O 3.28Å
78	G	85.3	Confident	88.3	Confident	11 Å²	11	57.2 Å²	57.2	11%	0.113	31%	0.31	C	S	.	.	S	Bend	trans	82.3	5.6	-173.1	0	0	0	0	0	114.1	C75 P76	C75-G78 PolarHBondContact O-N 3.09Å; P76-G78 PolarHBondContact O-N 2.95Å
79	V	89.8	Confident	88	Confident	53 Å²	53	57.2 Å²	57.2	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.4	174.3	-65.5	0	0	0	0	109.8	S77 K118	S77-V79 VanDerWaalsContact C-N 3.3Å; S77-V79 PolarHBondContact OG-N 3.48Å; S77-V79 PolarHBondContact OG-O 3.28Å; V79-K118 HydrophobicContact CG1-CG 4.17Å
80	V	91.1	Very high	87.9	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.8	175.3	-172.2	0	0	0	0	107.7	F71 C75 T84 F85 S116 V117	F71-V80 HydrophobicContact CD2-CG2 4.34Å; F71-V80 HydrophobicContact CE1-CG2 4.21Å; F71-V80 HydrophobicContact CE2-CG2 3.45Å; F71-V80 VanDerWaalsContact CE2-CG2 3.45Å; F71-V80 HydrophobicContact CZ-CB 4.5Å; F71-V80 HydrophobicContact CZ-CG2 3.36Å; C75-V80 HydrophobicContact CB-CG2 3.94Å; C75-V80 WeakPolarHBondContact SG-CG2 3.27Å; V80-T84 HydrophobicContact CG1-CG2 4.21Å; V80-F85 HydrophobicContact CG1-CB 3.82Å; V80-F85 HydrophobicContact CG1-CD2 4.3Å; V80-S116 CarbonylContact O-C 3.59Å; V80-S116 WeakPolarHBondContact O-CA 3.26Å; V80-V117 HydrophobicContact CB-CB 4.39Å; V80-V117 PolarHBondContact N-O 3.47Å; V80-V117 PolarHBondContact O-N 2.84Å
81	N	92.6	Very high	87.7	Confident	69 Å²	69	60.7 Å²	60.7	37%	0.369	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	168.4	169.2	65.6	19.8	0	0	0	110.5	D83 T84 F85	N81-D83 VanDerWaalsContact C-N 3.33Å; N81-D83 PolarHBondContact O-N 3.42Å; N81-T84 PolarHBondContact O-N 2.93Å; N81-T84 VanDerWaalsContact OD1-CB 3.23Å; N81-T84 WeakPolarHBondContact OD1-CB 3.26Å; N81-T84 PolarHBondContact OD1-N 3.44Å; N81-T84 PolarHBondContact OD1-OG1 2.97Å; N81-F85 PolarHBondContact O-N 3.31Å
82	E	93.3	Very high	87.2	Confident	53 Å²	53	67 Å²	67	25%	0.248	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-42.8	-174.8	-167.6	-174.3	159.4	0	0	113.1	T84 F85 K86 H103 F106	E82-T84 PolarHBondContact O-N 3.35Å; E82-F85 WeakPolarHBondContact O-CB 3.38Å; E82-F85 PolarHBondContact O-N 2.84Å; E82-K86 HydrophobicContact CG-CD 4.38Å; E82-K86 WeakPolarHBondContact O-CB 3.5Å; E82-K86 WeakPolarHBondContact O-CG 3.5Å; E82-K86 PolarHBondContact O-N 3.19Å; E82-K86 WeakPolarHBondContact OE1-CE 3.36Å; E82-K86 IonicContact OE1-NZ 2.67Å; E82-K86 PolarHBondContact OE1-NZ 2.88Å; E82-H103 IonicContact OE1-CE1 3.67Å; E82-H103 IonicContact OE1-CG 3.97Å; E82-H103 IonicContact OE1-ND1 3.73Å; E82-H103 PolarHBondContact OE1-ND1 3.33Å; E82-H103 IonicContact OE2-ND1 2.84Å; E82-F106 HydrophobicContact CB-CD1 3.93Å; E82-F106 HydrophobicContact CB-CD2 4.37Å; E82-F106 HydrophobicContact CB-CE1 3.84Å; E82-F106 HydrophobicContact CB-CE2 4.26Å; E82-F106 HydrophobicContact CB-CG 4.2Å; E82-F106 HydrophobicContact CB-CZ 3.99Å; E82-F106 HydrophobicContact CG-CB 4.34Å; E82-F106 HydrophobicContact CG-CD1 3.84Å; E82-F106 HydrophobicContact CG-CE1 4.26Å; E82-F106 HydrophobicContact CG-CG 3.97Å
83	D	92.2	Very high	86.6	Confident	122 Å²	122	67.2 Å²	67.2	65%	0.652	36%	0.356	S	S	*	.	H	α-helix	trans	-61.3	-44.1	179.4	-68.6	-39.7	0	0	0	111.9	N81 K86 Q87	N81-D83 VanDerWaalsContact C-N 3.33Å; N81-D83 PolarHBondContact O-N 3.42Å; D83-K86 PolarHBondContact O-N 3.31Å; D83-Q87 WeakPolarHBondContact O-CB 3.47Å; D83-Q87 PolarHBondContact O-N 3.11Å
84	T	90.1	Very high	85.8	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.258	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-42.1	177.5	-54.2	0	0	0	0	110.5	V80 N81 E82 Q87 I88	V80-T84 HydrophobicContact CG1-CG2 4.21Å; N81-T84 PolarHBondContact O-N 2.93Å; N81-T84 VanDerWaalsContact OD1-CB 3.23Å; N81-T84 WeakPolarHBondContact OD1-CB 3.26Å; N81-T84 PolarHBondContact OD1-N 3.44Å; N81-T84 PolarHBondContact OD1-OG1 2.97Å; E82-T84 PolarHBondContact O-N 3.35Å; T84-Q87 PolarHBondContact O-N 3.06Å; T84-I88 HydrophobicContact CG2-CD1 3.97Å; T84-I88 WeakPolarHBondContact O-CG1 3.43Å; T84-I88 PolarHBondContact O-N 2.98Å
85	F	90.3	Very high	85.2	Confident	26 Å²	26	68.7 Å²	68.7	11%	0.114	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-48.6	176.2	-171.8	-87.7	0	0	0	111.6	V80 N81 E82 Q87 I88 Y89 A102 L105 F106 F109	V80-F85 HydrophobicContact CG1-CB 3.82Å; V80-F85 HydrophobicContact CG1-CD2 4.3Å; N81-F85 PolarHBondContact O-N 3.31Å; E82-F85 WeakPolarHBondContact O-CB 3.38Å; E82-F85 PolarHBondContact O-N 2.84Å; F85-Q87 VanDerWaalsContact C-N 3.31Å; F85-Q87 PolarHBondContact O-N 3.19Å; F85-I88 PolarHBondContact O-N 3.39Å; F85-Y89 WeakPolarHBondContact O-CB 3.46Å; F85-Y89 PolarHBondContact O-N 3.47Å; F85-A102 HydrophobicContact CD1-CB 4.48Å; F85-L105 HydrophobicContact CE1-CB 4.14Å; F85-L105 HydrophobicContact CE1-CD2 3.95Å; F85-L105 HydrophobicContact CE1-CG 4Å; F85-L105 HydrophobicContact CZ-CB 4.44Å; F85-L105 HydrophobicContact CZ-CD2 3.84Å; F85-L105 HydrophobicContact CZ-CG 3.83Å; F85-F106 HydrophobicContact CB-CD2 3.59Å; F85-F106 HydrophobicContact CB-CE2 4.17Å; F85-F106 HydrophobicContact CD1-CB 3.89Å; F85-F106 HydrophobicContact CD1-CD2 4.2Å; F85-F106 HydrophobicContact CD2-CD2 4.01Å; F85-F106 HydrophobicContact CE1-CB 4.21Å; F85-F106 HydrophobicContact CG-CB 4.24Å; F85-F106 AromaticContact CG-CD2 3.68Å; F85-F106 HydrophobicContact CG-CD2 3.68Å; F85-F106 HydrophobicContact CG-CG 4.44Å; F85-F109 HydrophobicContact CE2-CD2 4.02Å; F85-F109 HydrophobicContact CE2-CE2 4.22Å; F85-F109 AromaticContact CZ-CD2 3.91Å; F85-F109 HydrophobicContact CZ-CD2 3.91Å; F85-F109 AromaticContact CZ-CE2 3.99Å; F85-F109 HydrophobicContact CZ-CE2 3.99Å
86	K	90.7	Very high	84.5	Confident	56 Å²	56	69.8 Å²	69.8	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-42.4	176	-75.4	179	179.1	170.4	0	111.8	E82 D83 Y89 A90 S99 A102	E82-K86 HydrophobicContact CG-CD 4.38Å; E82-K86 WeakPolarHBondContact O-CB 3.5Å; E82-K86 WeakPolarHBondContact O-CG 3.5Å; E82-K86 PolarHBondContact O-N 3.19Å; E82-K86 WeakPolarHBondContact OE1-CE 3.36Å; E82-K86 IonicContact OE1-NZ 2.67Å; E82-K86 PolarHBondContact OE1-NZ 2.88Å; D83-K86 PolarHBondContact O-N 3.31Å; K86-Y89 PolarHBondContact O-N 2.98Å; K86-A90 VanDerWaalsContact O-CB 3.25Å; K86-A90 WeakPolarHBondContact O-CB 3.4Å; K86-A90 PolarHBondContact O-N 2.87Å; K86-S99 WeakPolarHBondContact CE-O 3.3Å; K86-A102 HydrophobicContact CB-CB 4.48Å; K86-A102 HydrophobicContact CG-CB 3.8Å
87	Q	88.2	Confident	84.4	Confident	133 Å²	133	69.3 Å²	69.3	62%	0.621	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-44.3	178	-175.9	-179	-2.8	0	0	112	D83 T84 F85 Q91	D83-Q87 WeakPolarHBondContact O-CB 3.47Å; D83-Q87 PolarHBondContact O-N 3.11Å; T84-Q87 PolarHBondContact O-N 3.06Å; F85-Q87 VanDerWaalsContact C-N 3.31Å; F85-Q87 PolarHBondContact O-N 3.19Å; Q87-Q91 WeakPolarHBondContact O-CG 3.44Å
88	I	84.9	Confident	84.3	Confident	43 Å²	43	66.2 Å²	66.2	22%	0.221	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-48.6	176.4	-66.5	165	0	0	0	109.6	E74 T84 F85 A90 Q91	E74-I88 HydrophobicContact CB-CD1 4.08Å; T84-I88 HydrophobicContact CG2-CD1 3.97Å; T84-I88 WeakPolarHBondContact O-CG1 3.43Å; T84-I88 PolarHBondContact O-N 2.98Å; F85-I88 PolarHBondContact O-N 3.39Å; I88-A90 VanDerWaalsContact C-N 3.34Å; I88-A90 PolarHBondContact O-N 3.04Å; I88-Q91 WeakPolarHBondContact O-CB 3.47Å; I88-Q91 PolarHBondContact O-N 3.28Å; I88-Q91 VanDerWaalsContact O-N 3.15Å
89	Y	83.8	Confident	84.5	Confident	15 Å²	15	67.8 Å²	67.8	6%	0.059	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-38.5	-177.2	-164.3	-105.9	0	0	0	112.6	F85 K86 Q91 F92 F93 A98 Y101 A102 L105 M168 V226	F85-Y89 WeakPolarHBondContact O-CB 3.46Å; F85-Y89 PolarHBondContact O-N 3.47Å; K86-Y89 PolarHBondContact O-N 2.98Å; Y89-Q91 PolarHBondContact O-N 3.36Å; Y89-Q91 VanDerWaalsContact O-N 3.17Å; Y89-F92 PolarHBondContact O-N 2.67Å; Y89-F92 VanDerWaalsContact O-N 3.13Å; Y89-F93 HydrophobicContact CD1-CD2 4.32Å; Y89-F93 HydrophobicContact CD1-CE2 4.35Å; Y89-F93 HydrophobicContact CE1-CD2 4.01Å; Y89-F93 AromaticContact CE1-CE2 3.72Å; Y89-F93 HydrophobicContact CE1-CE2 3.72Å; Y89-F93 HydrophobicContact CE2-CE2 4.17Å; Y89-F93 AromaticContact CZ-CE2 3.6Å; Y89-A98 HydrophobicContact CD1-CB 3.76Å; Y89-A98 HydrophobicContact CE1-CB 3.87Å; Y89-Y101 HydrophobicContact CE1-CD1 4.07Å; Y89-A102 HydrophobicContact CD1-CB 3.74Å; Y89-A102 HydrophobicContact CE1-CB 4.48Å; Y89-A102 HydrophobicContact CG-CB 4.21Å; Y89-L105 HydrophobicContact CD2-CD2 3.97Å; Y89-L105 HydrophobicContact CE2-CD2 3.57Å; Y89-M168 HydrophobicContact CE1-SD 3.83Å; Y89-V226 PolarHBondContact OH-O 3.5Å
90	A	85.5	Confident	84.6	Confident	49 Å²	49	67.6 Å²	67.6	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-23.8	177.3	0	0	0	0	0	113.6	K86 I88 F92 F93	K86-A90 VanDerWaalsContact O-CB 3.25Å; K86-A90 WeakPolarHBondContact O-CB 3.4Å; K86-A90 PolarHBondContact O-N 2.87Å; I88-A90 VanDerWaalsContact C-N 3.34Å; I88-A90 PolarHBondContact O-N 3.04Å; A90-F92 PolarHBondContact O-N 2.64Å; A90-F93 CarbonylContact O-C 3.4Å; A90-F93 PolarHBondContact O-N 3.23Å; A90-F93 VanDerWaalsContact O-N 3.08Å
91	Q	81.7	Confident	84.6	Confident	131 Å²	131	67.3 Å²	67.3	61%	0.612	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.4	177	-61.1	-178.4	20.6	0	0	112.7	Q87 I88 Y89 F93	Q87-Q91 WeakPolarHBondContact O-CG 3.44Å; I88-Q91 WeakPolarHBondContact O-CB 3.47Å; I88-Q91 PolarHBondContact O-N 3.28Å; I88-Q91 VanDerWaalsContact O-N 3.15Å; Y89-Q91 PolarHBondContact O-N 3.36Å; Y89-Q91 VanDerWaalsContact O-N 3.17Å; Q91-F93 VanDerWaalsContact C-N 3.32Å
92	F	76.5	Confident	84.6	Confident	143 Å²	143	64 Å²	64	63%	0.627	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.9	176.2	-62.3	-79.9	0	0	0	112.9	Y89 A90	Y89-F92 PolarHBondContact O-N 2.67Å; Y89-F92 VanDerWaalsContact O-N 3.13Å; A90-F92 PolarHBondContact O-N 2.64Å
93	F	73.9	Confident	84.6	Confident	49 Å²	49	64.2 Å²	64.2	22%	0.215	34%	0.34	C	S	.	.			trans	-130.3	66.8	-174	-59.1	-80.9	0	0	0	112.1	Y89 A90 Q91 H95 G96 A98 M168 V226	Y89-F93 HydrophobicContact CD1-CD2 4.32Å; Y89-F93 HydrophobicContact CD1-CE2 4.35Å; Y89-F93 HydrophobicContact CE1-CD2 4.01Å; Y89-F93 AromaticContact CE1-CE2 3.72Å; Y89-F93 HydrophobicContact CE1-CE2 3.72Å; Y89-F93 HydrophobicContact CE2-CE2 4.17Å; Y89-F93 AromaticContact CZ-CE2 3.6Å; A90-F93 CarbonylContact O-C 3.4Å; A90-F93 PolarHBondContact O-N 3.23Å; A90-F93 VanDerWaalsContact O-N 3.08Å; Q91-F93 VanDerWaalsContact C-N 3.32Å; F93-H95 PolarHBondContact O-N 3.01Å; F93-G96 PolarHBondContact O-N 3.38Å; F93-A98 HydrophobicContact CB-CB 4.3Å; F93-A98 HydrophobicContact CD2-CB 4.13Å; F93-A98 HydrophobicContact CG-CB 4.41Å; F93-M168 HydrophobicContact CD1-CG 4.14Å; F93-M168 HydrophobicContact CD2-SD 4.43Å; F93-M168 HydrophobicContact CE1-CG 4.37Å; F93-M168 HydrophobicContact CE1-SD 4.38Å; F93-M168 HydrophobicContact CE2-SD 4.19Å; F93-M168 HydrophobicContact CG-CG 4.25Å; F93-M168 HydrophobicContact CZ-SD 4.17Å; F93-V226 HydrophobicContact CE1-CG1 3.68Å; F93-V226 HydrophobicContact CE2-CG1 4.42Å; F93-V226 HydrophobicContact CZ-CG1 3.37Å; F93-V226 WeakPolarHBondContact CZ-O 3.38Å
94	P	70.9	Confident	84.6	Confident	103 Å²	103	59.7 Å²	59.7	67%	0.669	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.2	-173.6	27.3	-36.4	0	0	0	115.1
95	H	71.3	Confident	84.7	Confident	160 Å²	160	57.9 Å²	57.9	74%	0.741	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-3.2	-174.7	-59.4	-36.6	0	0	0	114.2	F93	F93-H95 PolarHBondContact O-N 3.01Å
96	G	70.9	Confident	84.8	Confident	28 Å²	28	56.8 Å²	56.8	29%	0.289	30%	0.298	S	S	.	.	S	Bend	trans	-117.7	169.5	179.7	0	0	0	0	0	112	F93 M168	F93-G96 PolarHBondContact O-N 3.38Å; G96-M168 WeakPolarHBondContact CA-O 3.23Å
97	D	82	Confident	84.9	Confident	88 Å²	88	56.3 Å²	56.3	47%	0.471	30%	0.298	S	S	.	.			trans	-101.6	93.7	169	-174	-1.6	0	0	0	109.3	S99 D167 M168	D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.24Å; D97-S99 WeakPolarHBondContact OD1-CB 3.49Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 2.99Å; D97-S99 PolarHBondContact OD2-OG 3.29Å; D97-D167 PolarHBondContact N-O 3.5Å; D97-D167 VanDerWaalsContact N-O 3.1Å; D97-D167 CarbonylContact O-C 3.58Å; D97-M168 WeakPolarHBondContact O-CA 3.46Å; D97-M168 PolarHBondContact O-N 3.42Å
98	A	85.8	Confident	85.1	Confident	7 Å²	7	50 Å²	50	6%	0.058	27%	0.269	C	S	.	.			trans	-83.6	3	178.2	0	0	0	0	0	113	Y89 F93 T100 Y101 A102 M168	Y89-A98 HydrophobicContact CD1-CB 3.76Å; Y89-A98 HydrophobicContact CE1-CB 3.87Å; F93-A98 HydrophobicContact CB-CB 4.3Å; F93-A98 HydrophobicContact CD2-CB 4.13Å; F93-A98 HydrophobicContact CG-CB 4.41Å; A98-T100 PolarHBondContact O-N 2.98Å; A98-Y101 PolarHBondContact O-N 3.29Å; A98-A102 WeakPolarHBondContact O-CB 3.45Å; A98-A102 PolarHBondContact O-N 3Å; A98-M168 HydrophobicContact CB-CB 4.42Å; A98-M168 HydrophobicContact CB-CG 3.86Å; A98-M168 HydrophobicContact CB-SD 4.16Å
99	S	90.1	Very high	85.4	Confident	45 Å²	45	48.5 Å²	48.5	32%	0.315	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-43.6	-168	64.5	0	0	0	0	113.5	K86 D97 H103	K86-S99 WeakPolarHBondContact CE-O 3.3Å; D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.24Å; D97-S99 WeakPolarHBondContact OD1-CB 3.49Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 2.99Å; D97-S99 PolarHBondContact OD2-OG 3.29Å; S99-H103 PolarHBondContact O-N 2.77Å
100	T	91.5	Very high	85.7	Confident	49 Å²	49	48 Å²	48	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-68.5	-43.7	178.5	-50.2	0	0	0	0	111.3	A98 A102 H103 Y104 A164	A98-T100 PolarHBondContact O-N 2.98Å; T100-A102 VanDerWaalsContact C-N 3.35Å; T100-A102 PolarHBondContact O-N 3.05Å; T100-H103 WeakPolarHBondContact O-CB 2.93Å; T100-H103 PolarHBondContact O-N 2.72Å; T100-Y104 HydrophobicContact CG2-CD2 4.4Å; T100-Y104 HydrophobicContact CG2-CE2 3.64Å; T100-Y104 WeakPolarHBondContact O-CD2 3.36Å; T100-Y104 PolarHBondContact O-N 3.49Å; T100-A164 HydrophobicContact CG2-CB 3.71Å
101	Y	90.2	Very high	85.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-67.2	-39	177.7	-169.4	-102.5	0	0	0	111.4	Y89 A98 H103 Y104 L105 A164 I165 M168	Y89-Y101 HydrophobicContact CE1-CD1 4.07Å; A98-Y101 PolarHBondContact O-N 3.29Å; Y101-H103 VanDerWaalsContact C-N 3.28Å; Y101-H103 PolarHBondContact O-N 3.41Å; Y101-Y104 PolarHBondContact O-N 2.84Å; Y101-L105 VanDerWaalsContact O-CB 3.29Å; Y101-L105 WeakPolarHBondContact O-CB 3.49Å; Y101-L105 PolarHBondContact O-N 2.85Å; Y101-A164 HydrophobicContact CD2-CB 4.43Å; Y101-I165 HydrophobicContact CD2-CG1 3.77Å; Y101-I165 HydrophobicContact CE2-CD1 4.15Å; Y101-I165 HydrophobicContact CE2-CG1 3.7Å; Y101-M168 HydrophobicContact CD1-CE 3.64Å; Y101-M168 HydrophobicContact CD1-SD 3.66Å; Y101-M168 HydrophobicContact CD2-CE 4.33Å; Y101-M168 HydrophobicContact CE1-CE 3.97Å; Y101-M168 HydrophobicContact CE1-SD 4.37Å; Y101-M168 HydrophobicContact CG-CE 3.82Å; Y101-M168 HydrophobicContact CG-SD 4.07Å
102	A	92.1	Very high	85.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-32.8	174	0	0	0	0	0	112.7	F85 K86 Y89 A98 T100 F106	F85-A102 HydrophobicContact CD1-CB 4.48Å; K86-A102 HydrophobicContact CB-CB 4.48Å; K86-A102 HydrophobicContact CG-CB 3.8Å; Y89-A102 HydrophobicContact CD1-CB 3.74Å; Y89-A102 HydrophobicContact CE1-CB 4.48Å; Y89-A102 HydrophobicContact CG-CB 4.21Å; A98-A102 WeakPolarHBondContact O-CB 3.45Å; A98-A102 PolarHBondContact O-N 3Å; T100-A102 VanDerWaalsContact C-N 3.35Å; T100-A102 PolarHBondContact O-N 3.05Å; A102-F106 WeakPolarHBondContact O-CB 3.34Å; A102-F106 PolarHBondContact O-N 3.24Å
103	H	94.1	Very high	86.3	Confident	56 Å²	56	47.8 Å²	47.8	26%	0.259	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-51.7	171.6	171.8	71.3	0	0	0	111.5	E82 S99 T100 Y101 L105 F106 N107	E82-H103 IonicContact OE1-CE1 3.67Å; E82-H103 IonicContact OE1-CG 3.97Å; E82-H103 IonicContact OE1-ND1 3.73Å; E82-H103 PolarHBondContact OE1-ND1 3.33Å; E82-H103 IonicContact OE2-ND1 2.84Å; S99-H103 PolarHBondContact O-N 2.77Å; T100-H103 WeakPolarHBondContact O-CB 2.93Å; T100-H103 PolarHBondContact O-N 2.72Å; Y101-H103 VanDerWaalsContact C-N 3.28Å; Y101-H103 PolarHBondContact O-N 3.41Å; H103-L105 VanDerWaalsContact C-N 3.31Å; H103-L105 PolarHBondContact O-N 2.99Å; H103-F106 WeakPolarHBondContact O-CB 3.12Å; H103-F106 PolarHBondContact O-N 2.98Å; H103-N107 PolarHBondContact CE1-ND2 3Å; H103-N107 VanDerWaalsContact CE1-ND2 3.3Å; H103-N107 PolarHBondContact NE2-ND2 3.25Å; H103-N107 VanDerWaalsContact NE2-ND2 3.14Å; H103-N107 PolarHBondContact O-N 2.84Å
104	Y	92.9	Very high	87.1	Confident	28 Å²	28	49 Å²	49	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-40.2	178.2	-58.8	-43.2	0	0	0	112	T100 Y101 N107 A108 L144 I147 D160 I161 A164	T100-Y104 HydrophobicContact CG2-CD2 4.4Å; T100-Y104 HydrophobicContact CG2-CE2 3.64Å; T100-Y104 WeakPolarHBondContact O-CD2 3.36Å; T100-Y104 PolarHBondContact O-N 3.49Å; Y101-Y104 PolarHBondContact O-N 2.84Å; Y104-N107 PolarHBondContact O-N 3.01Å; Y104-A108 PolarHBondContact O-N 3.42Å; Y104-L144 WeakPolarHBondContact O-CD1 3.01Å; Y104-I147 HydrophobicContact CD1-CD1 4.07Å; Y104-I147 HydrophobicContact CD1-CG1 4.02Å; Y104-I147 HydrophobicContact CD1-CG2 4.16Å; Y104-I147 HydrophobicContact CE1-CD1 3.64Å; Y104-I147 HydrophobicContact CE1-CG1 4.04Å; Y104-I147 HydrophobicContact CE1-CG2 3.91Å; Y104-I147 HydrophobicContact CE2-CD1 4.28Å; Y104-D160 HydrophobicContact CE2-CB 4.47Å; Y104-I161 HydrophobicContact CD2-CD1 3.7Å; Y104-I161 HydrophobicContact CE2-CD1 4.28Å; Y104-I161 HydrophobicContact CG-CD1 4.03Å; Y104-A164 HydrophobicContact CD2-CB 4.16Å; Y104-A164 HydrophobicContact CE2-CB 3.93Å
105	L	91.5	Very high	88.1	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-47.5	175.2	-172.6	60.8	0	0	0	111	F85 Y89 Y101 H103 N107 A108 F109 W140 L144 M227	F85-L105 HydrophobicContact CE1-CB 4.14Å; F85-L105 HydrophobicContact CE1-CD2 3.95Å; F85-L105 HydrophobicContact CE1-CG 4Å; F85-L105 HydrophobicContact CZ-CB 4.44Å; F85-L105 HydrophobicContact CZ-CD2 3.84Å; F85-L105 HydrophobicContact CZ-CG 3.83Å; Y89-L105 HydrophobicContact CD2-CD2 3.97Å; Y89-L105 HydrophobicContact CE2-CD2 3.57Å; Y101-L105 VanDerWaalsContact O-CB 3.29Å; Y101-L105 WeakPolarHBondContact O-CB 3.49Å; Y101-L105 PolarHBondContact O-N 2.85Å; H103-L105 VanDerWaalsContact C-N 3.31Å; H103-L105 PolarHBondContact O-N 2.99Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.29Å; L105-A108 WeakPolarHBondContact O-CA 3.34Å; L105-A108 WeakPolarHBondContact O-CB 3.5Å; L105-A108 PolarHBondContact O-N 3.03Å; L105-F109 HydrophobicContact CD1-CD2 4.22Å; L105-F109 HydrophobicContact CD1-CE2 3.84Å; L105-F109 HydrophobicContact CD2-CE2 4.47Å; L105-F109 HydrophobicContact CG-CD2 4.1Å; L105-F109 HydrophobicContact CG-CE2 3.89Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.34Å; L105-F109 PolarHBondContact O-N 3.05Å; L105-W140 HydrophobicContact CD1-CH2 3.54Å; L105-W140 HydrophobicContact CD1-CZ2 4.2Å; L105-L144 HydrophobicContact CB-CD1 4.45Å; L105-L144 HydrophobicContact CD1-CD1 4.32Å; L105-M227 HydrophobicContact CD1-SD 4.13Å
106	F	93.2	Very high	89.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-46.6	175.9	178.8	-94	0	0	0	111.9	E82 F85 A102 H103 A108 F109 D110 V117	E82-F106 HydrophobicContact CB-CD1 3.93Å; E82-F106 HydrophobicContact CB-CD2 4.37Å; E82-F106 HydrophobicContact CB-CE1 3.84Å; E82-F106 HydrophobicContact CB-CE2 4.26Å; E82-F106 HydrophobicContact CB-CG 4.2Å; E82-F106 HydrophobicContact CB-CZ 3.99Å; E82-F106 HydrophobicContact CG-CB 4.34Å; E82-F106 HydrophobicContact CG-CD1 3.84Å; E82-F106 HydrophobicContact CG-CE1 4.26Å; E82-F106 HydrophobicContact CG-CG 3.97Å; F85-F106 HydrophobicContact CB-CD2 3.59Å; F85-F106 HydrophobicContact CB-CE2 4.17Å; F85-F106 HydrophobicContact CD1-CB 3.89Å; F85-F106 HydrophobicContact CD1-CD2 4.2Å; F85-F106 HydrophobicContact CD2-CD2 4.01Å; F85-F106 HydrophobicContact CE1-CB 4.21Å; F85-F106 HydrophobicContact CG-CB 4.24Å; F85-F106 AromaticContact CG-CD2 3.68Å; F85-F106 HydrophobicContact CG-CD2 3.68Å; F85-F106 HydrophobicContact CG-CG 4.44Å; A102-F106 WeakPolarHBondContact O-CB 3.34Å; A102-F106 PolarHBondContact O-N 3.24Å; H103-F106 WeakPolarHBondContact O-CB 3.12Å; H103-F106 PolarHBondContact O-N 2.98Å; F106-A108 PolarHBondContact O-N 3.49Å; F106-F109 CarbonylContact O-C 3.36Å; F106-F109 WeakPolarHBondContact O-CA 3.45Å; F106-F109 WeakPolarHBondContact O-CB 3.25Å; F106-F109 PolarHBondContact O-N 3.24Å; F106-D110 HydrophobicContact CE1-CB 4.29Å; F106-D110 PolarHBondContact O-N 2.92Å; F106-V117 HydrophobicContact CD2-CG2 3.8Å; F106-V117 HydrophobicContact CE2-CB 4.26Å; F106-V117 HydrophobicContact CE2-CG2 3.51Å; F106-V117 HydrophobicContact CZ-CG2 4.05Å
107	N	92.8	Very high	90.1	Very high	46 Å²	46	38.9 Å²	38.9	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-27.8	177	-65.6	-10.9	0	0	0	112.6	H103 Y104 L105	H103-N107 PolarHBondContact CE1-ND2 3Å; H103-N107 VanDerWaalsContact CE1-ND2 3.3Å; H103-N107 PolarHBondContact NE2-ND2 3.25Å; H103-N107 VanDerWaalsContact NE2-ND2 3.14Å; H103-N107 PolarHBondContact O-N 2.84Å; Y104-N107 PolarHBondContact O-N 3.01Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.29Å
108	A	91.2	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.6	-28	173	0	0	0	0	0	112.8	Y104 L105 F106 W140 L144	Y104-A108 PolarHBondContact O-N 3.42Å; L105-A108 WeakPolarHBondContact O-CA 3.34Å; L105-A108 WeakPolarHBondContact O-CB 3.5Å; L105-A108 PolarHBondContact O-N 3.03Å; F106-A108 PolarHBondContact O-N 3.49Å; A108-W140 HydrophobicContact CB-CZ2 4.21Å; A108-L144 HydrophobicContact CB-CB 4.13Å; A108-L144 HydrophobicContact CB-CD1 3.74Å
109	F	90.5	Very high	90.7	Very high	12 Å²	12	39 Å²	39	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-77.3	-42.9	170.8	-84.6	-88.7	0	0	0	112.2	F85 L105 F106 T111 V117 F122 A125 L129 W140	F85-F109 HydrophobicContact CE2-CD2 4.02Å; F85-F109 HydrophobicContact CE2-CE2 4.22Å; F85-F109 AromaticContact CZ-CD2 3.91Å; F85-F109 HydrophobicContact CZ-CD2 3.91Å; F85-F109 AromaticContact CZ-CE2 3.99Å; F85-F109 HydrophobicContact CZ-CE2 3.99Å; L105-F109 HydrophobicContact CD1-CD2 4.22Å; L105-F109 HydrophobicContact CD1-CE2 3.84Å; L105-F109 HydrophobicContact CD2-CE2 4.47Å; L105-F109 HydrophobicContact CG-CD2 4.1Å; L105-F109 HydrophobicContact CG-CE2 3.89Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.34Å; L105-F109 PolarHBondContact O-N 3.05Å; F106-F109 CarbonylContact O-C 3.36Å; F106-F109 WeakPolarHBondContact O-CA 3.45Å; F106-F109 WeakPolarHBondContact O-CB 3.25Å; F106-F109 PolarHBondContact O-N 3.24Å; F109-T111 PolarHBondContact O-N 3.46Å; F109-V117 HydrophobicContact CB-CG1 4.15Å; F109-V117 HydrophobicContact CB-CG2 3.62Å; F109-V117 HydrophobicContact CD1-CG1 4.46Å; F109-F122 HydrophobicContact CD1-CD2 4.46Å; F109-F122 AromaticContact CE1-CD2 3.95Å; F109-F122 HydrophobicContact CE1-CD2 3.95Å; F109-A125 HydrophobicContact CD1-CB 3.46Å; F109-A125 VanDerWaalsContact CD1-CB 3.46Å; F109-A125 HydrophobicContact CE1-CB 3.3Å; F109-A125 HydrophobicContact CG-CB 4.38Å; F109-A125 HydrophobicContact CZ-CB 4.1Å; F109-L129 HydrophobicContact CZ-CD1 4.45Å; F109-W140 HydrophobicContact CE2-CZ2 4.28Å
110	D	91	Very high	90.7	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	22%	0.216	C	C	.	.			trans	-77.2	66.6	179.7	-176.7	21.3	0	0	0	111.6	F106 T112 Q113 T114 G115 S116 V117	F106-D110 HydrophobicContact CE1-CB 4.29Å; F106-D110 PolarHBondContact O-N 2.92Å; D110-T112 PolarHBondContact O-N 3.16Å; D110-T112 VanDerWaalsContact O-N 3.09Å; D110-Q113 PolarHBondContact O-N 3.45Å; D110-Q113 PolarHBondContact OD1-N 2.91Å; D110-Q113 VanDerWaalsContact OD1-N 3.16Å; D110-Q113 WeakPolarHBondContact OD2-CA 3.35Å; D110-T114 PolarHBondContact OD1-N 2.87Å; D110-T114 PolarHBondContact OD1-OG1 3.27Å; D110-T114 PolarHBondContact OD2-N 3.31Å; D110-G115 WeakPolarHBondContact OD2-CA 3.49Å; D110-G115 PolarHBondContact OD2-N 2.88Å; D110-S116 PolarHBondContact OD2-N 3.19Å; D110-V117 HydrophobicContact CB-CG2 4.1Å
111	T	84	Confident	90.7	Very high	96 Å²	96	37.2 Å²	37.2	59%	0.589	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.7	-178	62.8	0	0	0	0	113.5	F109 D121	F109-T111 PolarHBondContact O-N 3.46Å; T111-D121 PolarHBondContact OG1-OD1 3.45Å
112	T	85.6	Confident	90.6	Very high	80 Å²	80	39.6 Å²	39.6	49%	0.491	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.2	178.5	60.4	0	0	0	0	113.6	D110 T114	D110-T112 PolarHBondContact O-N 3.16Å; D110-T112 VanDerWaalsContact O-N 3.09Å; T112-T114 PolarHBondContact O-N 3.34Å; T112-T114 VanDerWaalsContact OG1-CG2 3.26Å; T112-T114 WeakPolarHBondContact OG1-CG2 3.22Å
113	Q	86.9	Confident	90.6	Very high	142 Å²	142	39.6 Å²	39.6	66%	0.664	22%	0.216	S	C	*	.			trans	51.3	40.6	179.9	-61.2	-176.1	-14.2	0	0	113.2	D110 G115	D110-Q113 PolarHBondContact O-N 3.45Å; D110-Q113 PolarHBondContact OD1-N 2.91Å; D110-Q113 VanDerWaalsContact OD1-N 3.16Å; D110-Q113 WeakPolarHBondContact OD2-CA 3.35Å; Q113-G115 VanDerWaalsContact C-N 3.33Å
114	T	89.6	Confident	90.5	Very high	75 Å²	75	39.7 Å²	39.7	46%	0.46	22%	0.221	S	C	.	.	S	Bend	trans	-86.4	-7.1	-179.4	61.7	0	0	0	0	113.4	D110 T112 S116	D110-T114 PolarHBondContact OD1-N 2.87Å; D110-T114 PolarHBondContact OD1-OG1 3.27Å; D110-T114 PolarHBondContact OD2-N 3.31Å; T112-T114 PolarHBondContact O-N 3.34Å; T112-T114 VanDerWaalsContact OG1-CG2 3.26Å; T112-T114 WeakPolarHBondContact OG1-CG2 3.22Å; T114-S116 VanDerWaalsContact C-N 3.26Å; T114-S116 PolarHBondContact OG1-O 2.97Å
115	G	92	Very high	90.4	Very high	42 Å²	42	38.7 Å²	38.7	43%	0.433	22%	0.218	S	C	.	.	S	Bend	trans	74.6	16.4	-169.5	0	0	0	0	0	112.7	D110 Q113	D110-G115 WeakPolarHBondContact OD2-CA 3.49Å; D110-G115 PolarHBondContact OD2-N 2.88Å; Q113-G115 VanDerWaalsContact C-N 3.33Å
116	S	92.5	Very high	90.3	Very high	33 Å²	33	39.8 Å²	39.8	23%	0.231	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	135.4	-177.4	-71.2	0	0	0	0	111.2	V80 D110 T114	V80-S116 CarbonylContact O-C 3.59Å; V80-S116 WeakPolarHBondContact O-CA 3.26Å; D110-S116 PolarHBondContact OD2-N 3.19Å; T114-S116 VanDerWaalsContact C-N 3.26Å; T114-S116 PolarHBondContact OG1-O 2.97Å
117	V	91.8	Very high	90.3	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.6	175.7	174.7	0	0	0	0	108.6	V80 F106 F109 D110 D121 F122	V80-V117 HydrophobicContact CB-CB 4.39Å; V80-V117 PolarHBondContact N-O 3.47Å; V80-V117 PolarHBondContact O-N 2.84Å; F106-V117 HydrophobicContact CD2-CG2 3.8Å; F106-V117 HydrophobicContact CE2-CB 4.26Å; F106-V117 HydrophobicContact CE2-CG2 3.51Å; F106-V117 HydrophobicContact CZ-CG2 4.05Å; F109-V117 HydrophobicContact CB-CG1 4.15Å; F109-V117 HydrophobicContact CB-CG2 3.62Å; F109-V117 HydrophobicContact CD1-CG1 4.46Å; D110-V117 HydrophobicContact CB-CG2 4.1Å; V117-D121 HydrophobicContact CG1-CB 3.97Å; V117-F122 HydrophobicContact CG1-CB 4.19Å
118	K	90.9	Very high	90.2	Very high	91 Å²	91	39.6 Å²	39.6	40%	0.396	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	169.8	173.1	-62.4	173.2	-174.8	166.5	0	110.3	V79 E120 D121 F122	V79-K118 HydrophobicContact CG1-CG 4.17Å; K118-E120 PolarHBondContact O-N 2.91Å; K118-D121 WeakPolarHBondContact CB-OD2 3.3Å; K118-D121 PolarHBondContact N-OD2 2.91Å; K118-D121 PolarHBondContact O-N 2.75Å; K118-F122 WeakPolarHBondContact O-CB 3.43Å; K118-F122 PolarHBondContact O-N 2.86Å
119	F	90.3	Very high	90	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-38.9	174.8	-177.8	-112.7	0	0	0	112.6	P47 L53 L64 L67 Y68 F71 F122 V123	P47-F119 HydrophobicContact CB-CD1 4.18Å; P47-F119 HydrophobicContact CG-CD1 4.42Å; L53-F119 HydrophobicContact CD1-CD1 3.92Å; L53-F119 HydrophobicContact CD1-CE1 3.87Å; L64-F119 WeakPolarHBondContact O-CZ 3.47Å; L67-F119 HydrophobicContact CB-CE2 4.05Å; L67-F119 HydrophobicContact CB-CZ 4.11Å; Y68-F119 HydrophobicContact CD2-CB 4.29Å; Y68-F119 AromaticContact CD2-CD1 3.65Å; Y68-F119 HydrophobicContact CD2-CD1 3.65Å; Y68-F119 AromaticContact CD2-CD2 3.78Å; Y68-F119 HydrophobicContact CD2-CD2 3.78Å; Y68-F119 AromaticContact CD2-CE1 3.81Å; Y68-F119 HydrophobicContact CD2-CE1 3.81Å; Y68-F119 AromaticContact CD2-CE2 3.96Å; Y68-F119 HydrophobicContact CD2-CE2 3.96Å; Y68-F119 AromaticContact CD2-CG 3.61Å; Y68-F119 HydrophobicContact CD2-CG 3.61Å; Y68-F119 AromaticContact CD2-CZ 3.96Å; Y68-F119 HydrophobicContact CD2-CZ 3.96Å; Y68-F119 HydrophobicContact CE2-CB 4.37Å; Y68-F119 HydrophobicContact CE2-CD1 4.29Å; Y68-F119 HydrophobicContact CE2-CG 4.16Å; Y68-F119 HydrophobicContact CG-CE1 4.38Å; Y68-F119 HydrophobicContact CG-CE2 4.44Å; Y68-F119 HydrophobicContact CG-CZ 4.28Å; F71-F119 HydrophobicContact CB-CD2 3.86Å; F71-F119 HydrophobicContact CB-CE2 4.19Å; F71-F119 HydrophobicContact CD1-CB 4.36Å; F71-F119 HydrophobicContact CD1-CD2 4.21Å; F71-F119 HydrophobicContact CD2-CD2 4.16Å; F71-F119 HydrophobicContact CE1-CB 4.31Å; F71-F119 AromaticContact CG-CD2 3.83Å; F71-F119 HydrophobicContact CG-CD2 3.83Å; F119-F122 HydrophobicContact CD2-CD1 4.39Å; F119-F122 HydrophobicContact CE2-CD1 4.44Å; F119-F122 WeakPolarHBondContact O-CB 3.29Å; F119-F122 PolarHBondContact O-N 3.29Å; F119-V123 HydrophobicContact CD1-CG1 4.26Å; F119-V123 HydrophobicContact CD2-CG1 4.02Å; F119-V123 HydrophobicContact CE1-CG1 3.72Å; F119-V123 HydrophobicContact CE2-CG1 3.42Å; F119-V123 VanDerWaalsContact CE2-CG1 3.42Å; F119-V123 HydrophobicContact CG-CG1 4.41Å; F119-V123 HydrophobicContact CZ-CG1 3.27Å; F119-V123 WeakPolarHBondContact O-CG2 3.47Å; F119-V123 PolarHBondContact O-N 3.1Å
120	E	90.2	Very high	89.8	Confident	40 Å²	40	45.6 Å²	45.6	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-48.8	176.8	-74.4	148.4	-142.2	0	0	112.4	E48 L53 K118 F122 V123 T124	E48-E120 HydrophobicContact CB-CG 4.15Å; E48-E120 WeakPolarHBondContact CB-OE1 3.45Å; E48-E120 HydrophobicContact CG-CG 4.43Å; E48-E120 WeakPolarHBondContact CG-OE1 3.37Å; E48-E120 PolarHBondContact N-OE1 2.74Å; L53-E120 HydrophobicContact CD1-CG 4.26Å; L53-E120 HydrophobicContact CD2-CB 4.32Å; L53-E120 HydrophobicContact CD2-CG 3.83Å; L53-E120 HydrophobicContact CG-CG 4.4Å; K118-E120 PolarHBondContact O-N 2.91Å; E120-F122 VanDerWaalsContact C-N 3.31Å; E120-F122 PolarHBondContact O-N 3.04Å; E120-V123 WeakPolarHBondContact O-CG2 3.45Å; E120-V123 PolarHBondContact O-N 2.9Å; E120-T124 VanDerWaalsContact O-CB 3.27Å; E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 3.26Å; E120-T124 PolarHBondContact O-OG1 2.93Å
121	D	90.5	Very high	89.8	Confident	18 Å²	18	50.6 Å²	50.6	10%	0.096	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-45.8	176.4	-59.8	-59.1	0	0	0	110.7	T111 V117 K118 T124 A125	T111-D121 PolarHBondContact OG1-OD1 3.45Å; V117-D121 HydrophobicContact CG1-CB 3.97Å; K118-D121 WeakPolarHBondContact CB-OD2 3.3Å; K118-D121 PolarHBondContact N-OD2 2.91Å; K118-D121 PolarHBondContact O-N 2.75Å; D121-T124 PolarHBondContact O-N 2.89Å; D121-A125 WeakPolarHBondContact O-CB 3.48Å; D121-A125 PolarHBondContact O-N 3.4Å
122	F	89.7	Confident	90	Very high	52 Å²	52	46.5 Å²	46.5	23%	0.228	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-50.6	179.5	178	-108.1	0	0	0	112.6	F71 F109 V117 K118 F119 E120 T124 A125 L126	F71-F122 HydrophobicContact CD2-CB 4.16Å; F71-F122 AromaticContact CD2-CD1 3.72Å; F71-F122 HydrophobicContact CD2-CD1 3.72Å; F71-F122 HydrophobicContact CD2-CD2 4.5Å; F71-F122 HydrophobicContact CD2-CE1 4.18Å; F71-F122 AromaticContact CD2-CG 3.88Å; F71-F122 HydrophobicContact CD2-CG 3.88Å; F71-F122 HydrophobicContact CE2-CB 3.89Å; F71-F122 HydrophobicContact CE2-CD1 4.31Å; F71-F122 HydrophobicContact CE2-CG 4.03Å; F109-F122 HydrophobicContact CD1-CD2 4.46Å; F109-F122 AromaticContact CE1-CD2 3.95Å; F109-F122 HydrophobicContact CE1-CD2 3.95Å; V117-F122 HydrophobicContact CG1-CB 4.19Å; K118-F122 WeakPolarHBondContact O-CB 3.43Å; K118-F122 PolarHBondContact O-N 2.86Å; F119-F122 HydrophobicContact CD2-CD1 4.39Å; F119-F122 HydrophobicContact CE2-CD1 4.44Å; F119-F122 WeakPolarHBondContact O-CB 3.29Å; F119-F122 PolarHBondContact O-N 3.29Å; E120-F122 VanDerWaalsContact C-N 3.31Å; E120-F122 PolarHBondContact O-N 3.04Å; F122-T124 VanDerWaalsContact C-N 3.34Å; F122-T124 PolarHBondContact O-N 3.5Å; F122-A125 PolarHBondContact O-N 3.24Å; F122-L126 HydrophobicContact CD1-CD1 4.05Å; F122-L126 HydrophobicContact CE1-CD1 3.43Å; F122-L126 VanDerWaalsContact CE1-CD1 3.43Å; F122-L126 HydrophobicContact CE1-CG 4.36Å; F122-L126 HydrophobicContact CE2-CD1 3.98Å; F122-L126 HydrophobicContact CE2-CG 4.21Å; F122-L126 HydrophobicContact CZ-CD1 3.4Å; F122-L126 HydrophobicContact CZ-CG 4.14Å; F122-L126 WeakPolarHBondContact O-CB 2.99Å; F122-L126 WeakPolarHBondContact O-CG 3.49Å; F122-L126 PolarHBondContact O-N 3.44Å
123	V	91.2	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.3	-31.6	-179.9	-62.8	0	0	0	0	112.5	L53 T57 L64 L67 F119 E120 L126 S127	L53-V123 HydrophobicContact CD1-CG2 4.28Å; L53-V123 HydrophobicContact CD2-CG2 3.73Å; T57-V123 HydrophobicContact CG2-CB 4.49Å; T57-V123 HydrophobicContact CG2-CG2 4.06Å; L64-V123 HydrophobicContact CD2-CB 4.11Å; L64-V123 HydrophobicContact CD2-CG1 3.99Å; L64-V123 HydrophobicContact CD2-CG2 4.32Å; L67-V123 HydrophobicContact CB-CG1 4.49Å; L67-V123 HydrophobicContact CD1-CG1 4.22Å; F119-V123 HydrophobicContact CD1-CG1 4.26Å; F119-V123 HydrophobicContact CD2-CG1 4.02Å; F119-V123 HydrophobicContact CE1-CG1 3.72Å; F119-V123 HydrophobicContact CE2-CG1 3.42Å; F119-V123 VanDerWaalsContact CE2-CG1 3.42Å; F119-V123 HydrophobicContact CG-CG1 4.41Å; F119-V123 HydrophobicContact CZ-CG1 3.27Å; F119-V123 WeakPolarHBondContact O-CG2 3.47Å; F119-V123 PolarHBondContact O-N 3.1Å; E120-V123 WeakPolarHBondContact O-CG2 3.45Å; E120-V123 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 2.72Å; V123-S127 WeakPolarHBondContact O-CB 3.45Å; V123-S127 PolarHBondContact O-N 3.48Å
124	T	91.2	Very high	90.2	Very high	59 Å²	59	43.4 Å²	43.4	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-48.3	175.6	-60.4	0	0	0	0	110.3	E120 D121 F122 S127 I128	E120-T124 VanDerWaalsContact O-CB 3.27Å; E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 3.26Å; E120-T124 PolarHBondContact O-OG1 2.93Å; D121-T124 PolarHBondContact O-N 2.89Å; F122-T124 VanDerWaalsContact C-N 3.34Å; F122-T124 PolarHBondContact O-N 3.5Å; T124-S127 WeakPolarHBondContact O-CB 3.21Å; T124-S127 PolarHBondContact O-N 2.62Å; T124-I128 PolarHBondContact O-N 3Å
125	A	90.9	Very high	90.2	Very high	6 Å²	6	43.9 Å²	43.9	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-46.8	175.5	0	0	0	0	0	111.9	F109 D121 F122 S127 I128 L129	F109-A125 HydrophobicContact CD1-CB 3.46Å; F109-A125 VanDerWaalsContact CD1-CB 3.46Å; F109-A125 HydrophobicContact CE1-CB 3.3Å; F109-A125 HydrophobicContact CG-CB 4.38Å; F109-A125 HydrophobicContact CZ-CB 4.1Å; D121-A125 WeakPolarHBondContact O-CB 3.48Å; D121-A125 PolarHBondContact O-N 3.4Å; F122-A125 PolarHBondContact O-N 3.24Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 2.95Å; A125-I128 PolarHBondContact O-N 3.43Å; A125-L129 WeakPolarHBondContact O-CB 3.43Å; A125-L129 VanDerWaalsContact O-CG 3.32Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.75Å
126	L	90.2	Very high	90.2	Very high	28 Å²	28	45.1 Å²	45.1	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-36.7	176.6	-75.6	-173.5	0	0	0	113	F59 L67 F122 V123 I128 L129 L130	F59-L126 HydrophobicContact CE2-CB 4.04Å; F59-L126 HydrophobicContact CZ-CB 4.06Å; L67-L126 HydrophobicContact CD2-CD1 4.01Å; F122-L126 HydrophobicContact CD1-CD1 4.05Å; F122-L126 HydrophobicContact CE1-CD1 3.43Å; F122-L126 VanDerWaalsContact CE1-CD1 3.43Å; F122-L126 HydrophobicContact CE1-CG 4.36Å; F122-L126 HydrophobicContact CE2-CD1 3.98Å; F122-L126 HydrophobicContact CE2-CG 4.21Å; F122-L126 HydrophobicContact CZ-CD1 3.4Å; F122-L126 HydrophobicContact CZ-CG 4.14Å; F122-L126 WeakPolarHBondContact O-CB 2.99Å; F122-L126 WeakPolarHBondContact O-CG 3.49Å; F122-L126 PolarHBondContact O-N 3.44Å; V123-L126 PolarHBondContact O-N 2.72Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 PolarHBondContact O-N 3.42Å; L126-L129 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CB-CD1 4.36Å; L126-L130 HydrophobicContact CD2-CD1 4.24Å; L126-L130 VanDerWaalsContact O-CB 3.23Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.32Å
127	S	93	Very high	90	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-43.3	177	177.1	0	0	0	0	110.7	N58 V123 T124 A125 R131 G132	N58-S127 PolarHBondContact N-OG 3.1Å; N58-S127 PolarHBondContact ND2-OG 3.46Å; N58-S127 VanDerWaalsContact ND2-OG 3.17Å; V123-S127 WeakPolarHBondContact O-CB 3.45Å; V123-S127 PolarHBondContact O-N 3.48Å; T124-S127 WeakPolarHBondContact O-CB 3.21Å; T124-S127 PolarHBondContact O-N 2.62Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 2.95Å; S127-R131 CarbonylContact O-C 3.38Å; S127-R131 WeakPolarHBondContact O-CA 3.35Å; S127-R131 WeakPolarHBondContact O-CB 3.41Å; S127-R131 PolarHBondContact O-N 3.47Å; S127-G132 PolarHBondContact O-N 3.23Å
128	I	90.7	Very high	90	Very high	39 Å²	39	46.4 Å²	46.4	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-52	176.7	-65.8	164.8	0	0	0	110.8	T124 A125 L126 L130 G132 E136 K137 W140	T124-I128 PolarHBondContact O-N 3Å; A125-I128 PolarHBondContact O-N 3.43Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 PolarHBondContact O-N 3.42Å; I128-L130 PolarHBondContact O-N 3.25Å; I128-G132 WeakPolarHBondContact O-CA 3.24Å; I128-G132 PolarHBondContact O-N 3.39Å; I128-E136 HydrophobicContact CG2-CB 3.9Å; I128-K137 WeakPolarHBondContact O-CE 3.47Å; I128-K137 WeakPolarHBondContact O-CG 3.38Å; I128-W140 HydrophobicContact CG2-CB 3.92Å; I128-W140 HydrophobicContact CG2-CG 4.33Å
129	L	87.4	Confident	90	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-42.7	-174.7	-71	174.4	0	0	0	112.5	F109 A125 L126 K137 W140 M227	F109-L129 HydrophobicContact CZ-CD1 4.45Å; A125-L129 WeakPolarHBondContact O-CB 3.43Å; A125-L129 VanDerWaalsContact O-CG 3.32Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.75Å; L126-L129 PolarHBondContact O-N 2.86Å; L129-K137 WeakPolarHBondContact O-CE 3.29Å; L129-K137 PolarHBondContact O-NZ 3.44Å; L129-W140 HydrophobicContact CD1-CH2 4.03Å; L129-W140 HydrophobicContact CD1-CZ2 3.95Å; L129-W140 HydrophobicContact CD1-CZ3 4.48Å; L129-W140 HydrophobicContact CD2-CD2 3.85Å; L129-W140 HydrophobicContact CD2-CE3 3.57Å; L129-W140 HydrophobicContact CD2-CH2 4.12Å; L129-W140 HydrophobicContact CD2-CZ2 4.4Å; L129-W140 HydrophobicContact CD2-CZ3 3.72Å; L129-W140 HydrophobicContact CG-CD2 4.37Å; L129-W140 HydrophobicContact CG-CE3 4.49Å; L129-W140 HydrophobicContact CG-CZ2 4.46Å; L129-M227 HydrophobicContact CD1-CE 4.48Å; L129-M227 HydrophobicContact CD1-SD 3.82Å; L129-M227 HydrophobicContact CD2-CE 3.63Å; L129-M227 HydrophobicContact CD2-SD 4.02Å
130	L	87.3	Confident	90.1	Very high	112 Å²	112	48 Å²	48	59%	0.586	24%	0.238	S	C	*	.	H	α-helix	trans	-90.2	-38.3	-174.5	-59	179.3	0	0	0	112.8	F59 L126 I128	F59-L130 HydrophobicContact CZ-CD1 4.27Å; L126-L130 HydrophobicContact CB-CD1 4.36Å; L126-L130 HydrophobicContact CD2-CD1 4.24Å; L126-L130 VanDerWaalsContact O-CB 3.23Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.32Å; I128-L130 PolarHBondContact O-N 3.25Å
131	R	89.4	Confident	90.1	Very high	111 Å²	111	46.2 Å²	46.2	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-127.3	-2.2	-169.2	-61.5	-177.6	-177.8	-175.1	1.3	114.4	N58 F59 E63 S127	N58-R131 HydrophobicContact CB-CB 3.63Å; N58-R131 HydrophobicContact CB-CG 4.34Å; N58-R131 WeakPolarHBondContact O-CD 3.27Å; N58-R131 PolarHBondContact O-NH1 3.1Å; F59-R131 VanDerWaalsContact CD1-CZ 3.46Å; E63-R131 VanDerWaalsContact CD-NH2 3.33Å; E63-R131 IonicContact OE1-CZ 3.47Å; E63-R131 IonicContact OE1-NH1 3.59Å; E63-R131 PolarHBondContact OE1-NH1 3.44Å; E63-R131 IonicContact OE1-NH2 3.64Å; E63-R131 PolarHBondContact OE1-NH2 2.91Å; E63-R131 IonicContact OE2-CZ 2.64Å; E63-R131 IonicContact OE2-NH1 3.44Å; E63-R131 PolarHBondContact OE2-NH1 2.8Å; E63-R131 IonicContact OE2-NH2 2.93Å; S127-R131 CarbonylContact O-C 3.38Å; S127-R131 WeakPolarHBondContact O-CA 3.35Å; S127-R131 WeakPolarHBondContact O-CB 3.41Å; S127-R131 PolarHBondContact O-N 3.47Å
132	G	88	Confident	90.2	Very high	11 Å²	11	45.9 Å²	45.9	11%	0.113	23%	0.227	C	C	.	.			trans	-70.8	158	177.5	0	0	0	0	0	112.8	S127 I128 E136 K137	S127-G132 PolarHBondContact O-N 3.23Å; I128-G132 WeakPolarHBondContact O-CA 3.24Å; I128-G132 PolarHBondContact O-N 3.39Å; G132-E136 WeakPolarHBondContact CA-OE2 3.38Å; G132-K137 WeakPolarHBondContact O-CE 3.47Å
133	T	90.1	Very high	90.4	Very high	77 Å²	77	45.5 Å²	45.5	47%	0.472	23%	0.227	S	C	.	.			trans	-61.9	160.7	168.2	62.7	0	0	0	0	111.2	H135 E136 K137	T133-H135 PolarHBondContact O-N 3.36Å; T133-E136 WeakPolarHBondContact CB-OE2 3.3Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.11Å; T133-E136 PolarHBondContact N-OE2 3.18Å; T133-E136 PolarHBondContact O-N 3.23Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 VanDerWaalsContact OG1-CG 3.3Å; T133-E136 WeakPolarHBondContact OG1-CG 3.39Å; T133-E136 PolarHBondContact OG1-N 2.67Å; T133-E136 PolarHBondContact OG1-OE2 2.92Å; T133-K137 WeakPolarHBondContact O-CG 3.49Å; T133-K137 PolarHBondContact O-N 2.88Å
134	V	87.2	Confident	90.5	Very high	79 Å²	79	45.7 Å²	45.7	48%	0.479	23%	0.228	S	C	.	.	H	α-helix	trans	-53.5	-43.4	174.5	177.6	0	0	0	0	110.9	E136 K137 L138 M217	V134-E136 PolarHBondContact O-N 2.92Å; V134-K137 PolarHBondContact O-N 3Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.23Å; V134-L138 WeakPolarHBondContact O-CB 3.12Å; V134-L138 VanDerWaalsContact O-CG 3.3Å; V134-L138 WeakPolarHBondContact O-CG 3.28Å; V134-L138 PolarHBondContact O-N 3.13Å; V134-M217 HydrophobicContact CG1-SD 4.1Å
135	H	90.2	Very high	90.5	Very high	85 Å²	85	43.1 Å²	43.1	39%	0.394	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-39.9	178.1	-68.5	-73.3	0	0	0	113.6	T133 L138 R139 Q211	T133-H135 PolarHBondContact O-N 3.36Å; H135-L138 PolarHBondContact O-N 2.76Å; H135-R139 WeakPolarHBondContact O-CB 3.23Å; H135-R139 WeakPolarHBondContact O-CG 3.43Å; H135-R139 PolarHBondContact O-N 3.4Å; H135-Q211 PolarHBondContact CE1-NE2 3.2Å
136	E	91.3	Very high	90.7	Very high	68 Å²	68	43.1 Å²	43.1	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-41.7	176.5	-70.7	163.3	130.8	0	0	111.4	I128 G132 T133 V134 L138 R139 W140	I128-E136 HydrophobicContact CG2-CB 3.9Å; G132-E136 WeakPolarHBondContact CA-OE2 3.38Å; T133-E136 WeakPolarHBondContact CB-OE2 3.3Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.11Å; T133-E136 PolarHBondContact N-OE2 3.18Å; T133-E136 PolarHBondContact O-N 3.23Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 VanDerWaalsContact OG1-CG 3.3Å; T133-E136 WeakPolarHBondContact OG1-CG 3.39Å; T133-E136 PolarHBondContact OG1-N 2.67Å; T133-E136 PolarHBondContact OG1-OE2 2.92Å; V134-E136 PolarHBondContact O-N 2.92Å; E136-L138 PolarHBondContact O-N 2.82Å; E136-R139 PolarHBondContact O-N 2.91Å; E136-W140 WeakPolarHBondContact O-CB 3.44Å; E136-W140 PolarHBondContact O-N 3.37Å
137	K	89.1	Confident	90.9	Very high	54 Å²	54	43.8 Å²	43.8	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-40.8	175.9	-64	-175.7	-168.9	-154.6	0	112.2	I128 L129 G132 T133 V134 W140 T141	I128-K137 WeakPolarHBondContact O-CE 3.47Å; I128-K137 WeakPolarHBondContact O-CG 3.38Å; L129-K137 WeakPolarHBondContact O-CE 3.29Å; L129-K137 PolarHBondContact O-NZ 3.44Å; G132-K137 WeakPolarHBondContact O-CE 3.47Å; T133-K137 WeakPolarHBondContact O-CG 3.49Å; T133-K137 PolarHBondContact O-N 2.88Å; V134-K137 PolarHBondContact O-N 3Å; K137-W140 PolarHBondContact O-N 3.29Å; K137-T141 WeakPolarHBondContact O-CB 3.35Å; K137-T141 PolarHBondContact O-N 3.05Å; K137-T141 PolarHBondContact O-OG1 3.12Å
138	L	90.7	Very high	90.9	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-45	176.4	-71.4	175.5	0	0	0	111.6	V134 H135 E136 W140 T141 F142 F206 L207 C210	V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.23Å; V134-L138 WeakPolarHBondContact O-CB 3.12Å; V134-L138 VanDerWaalsContact O-CG 3.3Å; V134-L138 WeakPolarHBondContact O-CG 3.28Å; V134-L138 PolarHBondContact O-N 3.13Å; H135-L138 PolarHBondContact O-N 2.76Å; E136-L138 PolarHBondContact O-N 2.82Å; L138-W140 VanDerWaalsContact C-N 3.32Å; L138-W140 PolarHBondContact O-N 3.32Å; L138-T141 WeakPolarHBondContact O-CB 3.2Å; L138-T141 PolarHBondContact O-N 3.33Å; L138-F142 PolarHBondContact O-N 3.45Å; L138-F206 HydrophobicContact CB-CE1 4.32Å; L138-F206 HydrophobicContact CD2-CE1 4.18Å; L138-L207 HydrophobicContact CB-CD2 3.57Å; L138-L207 HydrophobicContact CD1-CD2 4Å; L138-L207 HydrophobicContact CG-CD2 4.45Å; L138-C210 HydrophobicContact CD1-CB 3.68Å; L138-C210 HydrophobicContact CD2-CB 3.96Å; L138-C210 HydrophobicContact CG-CB 4.48Å
139	R	92.3	Very high	91	Very high	112 Å²	112	48.7 Å²	48.7	42%	0.423	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-43.7	173.9	-81.2	-173.5	-74.5	-92.2	2.2	112.3	H135 E136 T141 F142 N143 L203 L207	H135-R139 WeakPolarHBondContact O-CB 3.23Å; H135-R139 WeakPolarHBondContact O-CG 3.43Å; H135-R139 PolarHBondContact O-N 3.4Å; E136-R139 PolarHBondContact O-N 2.91Å; R139-T141 VanDerWaalsContact C-N 3.31Å; R139-T141 PolarHBondContact O-N 3.19Å; R139-F142 WeakPolarHBondContact O-CB 3.32Å; R139-F142 PolarHBondContact O-N 3.49Å; R139-N143 PolarHBondContact O-N 3.46Å; R139-L203 HydrophobicContact CG-CD1 4.07Å; R139-L203 HydrophobicContact CG-CD2 4.29Å; R139-L207 HydrophobicContact CG-CD1 4.44Å
140	W	91.8	Very high	91.4	Very high	19 Å²	19	50.4 Å²	50.4	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-38.8	177.2	-172.2	93.6	0	0	0	111.7	L105 A108 F109 I128 L129 E136 K137 L138 N143 L144 M227	L105-W140 HydrophobicContact CD1-CH2 3.54Å; L105-W140 HydrophobicContact CD1-CZ2 4.2Å; A108-W140 HydrophobicContact CB-CZ2 4.21Å; F109-W140 HydrophobicContact CE2-CZ2 4.28Å; I128-W140 HydrophobicContact CG2-CB 3.92Å; I128-W140 HydrophobicContact CG2-CG 4.33Å; L129-W140 HydrophobicContact CD1-CH2 4.03Å; L129-W140 HydrophobicContact CD1-CZ2 3.95Å; L129-W140 HydrophobicContact CD1-CZ3 4.48Å; L129-W140 HydrophobicContact CD2-CD2 3.85Å; L129-W140 HydrophobicContact CD2-CE3 3.57Å; L129-W140 HydrophobicContact CD2-CH2 4.12Å; L129-W140 HydrophobicContact CD2-CZ2 4.4Å; L129-W140 HydrophobicContact CD2-CZ3 3.72Å; L129-W140 HydrophobicContact CG-CD2 4.37Å; L129-W140 HydrophobicContact CG-CE3 4.49Å; L129-W140 HydrophobicContact CG-CZ2 4.46Å; E136-W140 WeakPolarHBondContact O-CB 3.44Å; E136-W140 PolarHBondContact O-N 3.37Å; K137-W140 PolarHBondContact O-N 3.29Å; L138-W140 VanDerWaalsContact C-N 3.32Å; L138-W140 PolarHBondContact O-N 3.32Å; W140-N143 WeakPolarHBondContact O-CB 3.38Å; W140-N143 PolarHBondContact O-N 2.96Å; W140-L144 HydrophobicContact CH2-CD2 4.36Å; W140-L144 HydrophobicContact CZ3-CB 4.35Å; W140-L144 HydrophobicContact CZ3-CD2 3.96Å; W140-L144 PolarHBondContact O-N 3.43Å; W140-M227 HydrophobicContact CH2-CE 4.31Å; W140-M227 HydrophobicContact CH2-SD 3.56Å; W140-M227 VanDerWaalsContact CH2-SD 3.56Å; W140-M227 HydrophobicContact CZ3-CE 3.81Å; W140-M227 HydrophobicContact CZ3-SD 3.69Å
141	T	90.9	Very high	91.8	Very high	2 Å²	2	47 Å²	47	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-40.6	176.1	-54.5	0	0	0	0	111.9	K137 L138 R139 N143 L144 Y145 F206 Q224	K137-T141 WeakPolarHBondContact O-CB 3.35Å; K137-T141 PolarHBondContact O-N 3.05Å; K137-T141 PolarHBondContact O-OG1 3.12Å; L138-T141 WeakPolarHBondContact O-CB 3.2Å; L138-T141 PolarHBondContact O-N 3.33Å; R139-T141 VanDerWaalsContact C-N 3.31Å; R139-T141 PolarHBondContact O-N 3.19Å; T141-N143 VanDerWaalsContact C-N 3.31Å; T141-N143 PolarHBondContact O-N 2.91Å; T141-L144 WeakPolarHBondContact O-CB 3.37Å; T141-L144 PolarHBondContact O-N 3.41Å; T141-L144 VanDerWaalsContact O-N 3.09Å; T141-Y145 HydrophobicContact CG2-CE1 4.17Å; T141-Y145 HydrophobicContact CG2-CE2 4.17Å; T141-Y145 PolarHBondContact O-N 3.49Å; T141-Y145 VanDerWaalsContact O-N 3.11Å; T141-F206 HydrophobicContact CG2-CZ 4.28Å; T141-Q224 PolarHBondContact OG1-NE2 2.72Å
142	F	92.9	Very high	92.1	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-47.5	172.8	-179.2	-87.2	0	0	0	110.5	L138 R139 L144 Y145 D146 G151 I153 L203 F206	L138-F142 PolarHBondContact O-N 3.45Å; R139-F142 WeakPolarHBondContact O-CB 3.32Å; R139-F142 PolarHBondContact O-N 3.49Å; F142-L144 PolarHBondContact O-N 2.98Å; F142-Y145 PolarHBondContact O-N 2.73Å; F142-D146 HydrophobicContact CD1-CB 4.49Å; F142-D146 HydrophobicContact CE1-CB 4.15Å; F142-D146 PolarHBondContact O-N 2.72Å; F142-G151 WeakPolarHBondContact CZ-O 3.4Å; F142-I153 HydrophobicContact CD2-CD1 3.51Å; F142-I153 HydrophobicContact CD2-CG1 4.18Å; F142-I153 HydrophobicContact CE2-CD1 3.56Å; F142-I153 HydrophobicContact CE2-CG1 3.78Å; F142-I153 HydrophobicContact CG-CD1 4.29Å; F142-I153 HydrophobicContact CZ-CD1 4.35Å; F142-I153 HydrophobicContact CZ-CG1 4.13Å; F142-L203 HydrophobicContact CB-CD1 3.75Å; F142-L203 HydrophobicContact CD1-CB 4.26Å; F142-L203 HydrophobicContact CD1-CD1 3.86Å; F142-L203 HydrophobicContact CD2-CB 4.44Å; F142-L203 HydrophobicContact CD2-CD1 4.03Å; F142-L203 HydrophobicContact CE1-CB 4.05Å; F142-L203 HydrophobicContact CE1-CD1 4.5Å; F142-L203 HydrophobicContact CE2-CB 4.23Å; F142-L203 HydrophobicContact CG-CB 4.45Å; F142-L203 HydrophobicContact CG-CD1 3.59Å; F142-L203 HydrophobicContact CZ-CB 4.02Å; F142-F206 HydrophobicContact CB-CD1 4.07Å; F142-F206 HydrophobicContact CB-CE1 4.16Å; F142-F206 HydrophobicContact CD2-CB 3.75Å; F142-F206 HydrophobicContact CD2-CD1 4.09Å; F142-F206 HydrophobicContact CD2-CD2 4.18Å; F142-F206 AromaticContact CD2-CG 3.75Å; F142-F206 HydrophobicContact CD2-CG 3.75Å; F142-F206 HydrophobicContact CE2-CB 4.17Å
143	N	93	Very high	92.6	Very high	44 Å²	44	45.2 Å²	45.2	24%	0.235	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-34.4	174.4	178.7	57	0	0	0	112.2	R139 W140 T141 Y145 D146 K149	R139-N143 PolarHBondContact O-N 3.46Å; W140-N143 WeakPolarHBondContact O-CB 3.38Å; W140-N143 PolarHBondContact O-N 2.96Å; T141-N143 VanDerWaalsContact C-N 3.31Å; T141-N143 PolarHBondContact O-N 2.91Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 3.33Å; N143-D146 VanDerWaalsContact O-O 3.14Å; N143-K149 PolarHBondContact O-NZ 3.42Å; N143-K149 WeakPolarHBondContact OD1-CD 3.43Å; N143-K149 PolarHBondContact OD1-NZ 2.9Å
144	L	92.6	Very high	92.9	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-33.4	173.8	175	63.5	0	0	0	112.6	Y104 L105 A108 W140 T141 F142	Y104-L144 WeakPolarHBondContact O-CD1 3.01Å; L105-L144 HydrophobicContact CB-CD1 4.45Å; L105-L144 HydrophobicContact CD1-CD1 4.32Å; A108-L144 HydrophobicContact CB-CB 4.13Å; A108-L144 HydrophobicContact CB-CD1 3.74Å; W140-L144 HydrophobicContact CH2-CD2 4.36Å; W140-L144 HydrophobicContact CZ3-CB 4.35Å; W140-L144 HydrophobicContact CZ3-CD2 3.96Å; W140-L144 PolarHBondContact O-N 3.43Å; T141-L144 WeakPolarHBondContact O-CB 3.37Å; T141-L144 PolarHBondContact O-N 3.41Å; T141-L144 VanDerWaalsContact O-N 3.09Å; F142-L144 PolarHBondContact O-N 2.98Å
145	Y	92.7	Very high	93.3	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-90.5	-27.6	-174.8	-68.5	3.8	0	0	0	113.6	T141 F142 N143 I147 I153 M158 I161 L220	T141-Y145 HydrophobicContact CG2-CE1 4.17Å; T141-Y145 HydrophobicContact CG2-CE2 4.17Å; T141-Y145 PolarHBondContact O-N 3.49Å; T141-Y145 VanDerWaalsContact O-N 3.11Å; F142-Y145 PolarHBondContact O-N 2.73Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 3.33Å; Y145-I147 PolarHBondContact O-N 3.18Å; Y145-I147 VanDerWaalsContact O-N 3.17Å; Y145-I153 HydrophobicContact CD2-CD1 4.41Å; Y145-M158 HydrophobicContact CD2-SD 4.23Å; Y145-M158 HydrophobicContact CE2-CE 4.35Å; Y145-I161 HydrophobicContact CD1-CD1 4.11Å; Y145-I161 HydrophobicContact CD1-CG1 4.13Å; Y145-I161 HydrophobicContact CD1-CG2 3.86Å; Y145-I161 HydrophobicContact CE1-CG2 3.73Å; Y145-I161 HydrophobicContact CG-CG1 4.41Å; Y145-I161 HydrophobicContact CG-CG2 4.42Å; Y145-L220 HydrophobicContact CE2-CD2 3.7Å
146	D	94.7	Very high	93.6	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	23%	0.228	C	C	.	.			trans	-74.2	94.9	165.9	175.6	1.5	0	0	0	108.2	F142 N143 N148 K149 D150 G151 I153	F142-D146 HydrophobicContact CD1-CB 4.49Å; F142-D146 HydrophobicContact CE1-CB 4.15Å; F142-D146 PolarHBondContact O-N 2.72Å; N143-D146 VanDerWaalsContact O-O 3.14Å; D146-N148 PolarHBondContact OD1-OD1 3.31Å; D146-K149 WeakPolarHBondContact O-CD 3.48Å; D146-K149 PolarHBondContact O-NZ 2.96Å; D146-K149 WeakPolarHBondContact OD1-CA 3.41Å; D146-K149 PolarHBondContact OD1-N 2.8Å; D146-K149 WeakPolarHBondContact OD2-CA 3.49Å; D146-D150 PolarHBondContact OD1-N 3Å; D146-G151 WeakPolarHBondContact OD2-CA 3.48Å; D146-G151 PolarHBondContact OD2-N 3.29Å; D146-I153 HydrophobicContact CB-CG1 4.29Å
147	I	93.7	Very high	93.8	Very high	42 Å²	42	44.5 Å²	44.5	22%	0.215	22%	0.215	C	C	.	.	S	Bend	trans	-74.7	-42.6	-171.2	-67.7	173	0	0	0	109.6	Y104 Y145 E157 D160 I161	Y104-I147 HydrophobicContact CD1-CD1 4.07Å; Y104-I147 HydrophobicContact CD1-CG1 4.02Å; Y104-I147 HydrophobicContact CD1-CG2 4.16Å; Y104-I147 HydrophobicContact CE1-CD1 3.64Å; Y104-I147 HydrophobicContact CE1-CG1 4.04Å; Y104-I147 HydrophobicContact CE1-CG2 3.91Å; Y104-I147 HydrophobicContact CE2-CD1 4.28Å; Y145-I147 PolarHBondContact O-N 3.18Å; Y145-I147 VanDerWaalsContact O-N 3.17Å; I147-E157 HydrophobicContact CB-CG 4.19Å; I147-E157 HydrophobicContact CD1-CB 4.04Å; I147-E157 HydrophobicContact CD1-CG 4.3Å; I147-E157 HydrophobicContact CG1-CB 4.32Å; I147-E157 HydrophobicContact CG1-CG 4.42Å; I147-E157 PolarHBondContact N-OE1 3.23Å; I147-E157 VanDerWaalsContact N-OE1 3.1Å; I147-D160 HydrophobicContact CD1-CB 4.05Å; I147-I161 HydrophobicContact CD1-CD1 4.31Å; I147-I161 HydrophobicContact CD1-CG1 4.29Å; I147-I161 HydrophobicContact CG1-CD1 4.34Å
148	N	93.3	Very high	94	Very high	87 Å²	87	42.6 Å²	42.6	47%	0.465	21%	0.207	S	C	.	.	S	Bend	trans	-88.7	-7.6	-174.5	73.8	13.1	0	0	0	113.9	D146 D150 E157	D146-N148 PolarHBondContact OD1-OD1 3.31Å; N148-D150 PolarHBondContact ND2-OD2 3.35Å; N148-D150 VanDerWaalsContact OD1-CB 3.23Å; N148-D150 WeakPolarHBondContact OD1-CB 3.49Å; N148-D150 PolarHBondContact OD1-N 2.84Å; N148-D150 PolarHBondContact OD1-OD1 2.9Å; N148-D150 PolarHBondContact OD1-OD2 3.41Å; N148-E157 VanDerWaalsContact CG-OE1 3.31Å; N148-E157 PolarHBondContact N-OE1 3.42Å; N148-E157 VanDerWaalsContact N-OE1 3.14Å; N148-E157 PolarHBondContact OD1-OE1 2.88Å
149	K	92.8	Very high	94.1	Very high	60 Å²	60	43.7 Å²	43.7	26%	0.261	21%	0.213	S	C	.	.			trans	67.1	31.3	-179.6	-48.2	-57.9	176.8	-166.6	0	114.5	N143 D146 G151	N143-K149 PolarHBondContact O-NZ 3.42Å; N143-K149 WeakPolarHBondContact OD1-CD 3.43Å; N143-K149 PolarHBondContact OD1-NZ 2.9Å; D146-K149 WeakPolarHBondContact O-CD 3.48Å; D146-K149 PolarHBondContact O-NZ 2.96Å; D146-K149 WeakPolarHBondContact OD1-CA 3.41Å; D146-K149 PolarHBondContact OD1-N 2.8Å; D146-K149 WeakPolarHBondContact OD2-CA 3.49Å; K149-G151 VanDerWaalsContact C-N 3.34Å
150	D	95.4	Very high	94.2	Very high	61 Å²	61	41.2 Å²	41.2	33%	0.326	21%	0.208	S	C	.	.	S	Bend	trans	-87.1	-4.4	178.8	70.5	17.7	0	0	0	113.9	D146 N148 Y152	D146-D150 PolarHBondContact OD1-N 3Å; N148-D150 PolarHBondContact ND2-OD2 3.35Å; N148-D150 VanDerWaalsContact OD1-CB 3.23Å; N148-D150 WeakPolarHBondContact OD1-CB 3.49Å; N148-D150 PolarHBondContact OD1-N 2.84Å; N148-D150 PolarHBondContact OD1-OD1 2.9Å; N148-D150 PolarHBondContact OD1-OD2 3.41Å; D150-Y152 HydrophobicContact CB-CE1 4.13Å; D150-Y152 VanDerWaalsContact CG-CE1 3.49Å; D150-Y152 WeakPolarHBondContact OD1-CD1 3.38Å; D150-Y152 WeakPolarHBondContact OD1-CD2 3.32Å; D150-Y152 WeakPolarHBondContact OD1-CE1 3.37Å; D150-Y152 WeakPolarHBondContact OD1-CE2 3.47Å; D150-Y152 PolarHBondContact OD1-N 2.98Å; D150-Y152 VanDerWaalsContact OD1-O 3.13Å; D150-Y152 WeakPolarHBondContact OD2-CE2 3.4Å; D150-Y152 PolarHBondContact OD2-OH 3.46Å
151	G	95.5	Very high	94.2	Very high	40 Å²	40	40.3 Å²	40.3	41%	0.412	21%	0.205	S	C	.	.	S	Bend	trans	93.8	5.3	173.6	0	0	0	0	0	114.6	F142 D146 K149	F142-G151 WeakPolarHBondContact CZ-O 3.4Å; D146-G151 WeakPolarHBondContact OD2-CA 3.48Å; D146-G151 PolarHBondContact OD2-N 3.29Å; K149-G151 VanDerWaalsContact C-N 3.34Å
152	Y	97.4	Very high	94	Very high	84 Å²	84	40.7 Å²	40.7	33%	0.329	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159	171.5	53.9	-95.7	0	0	0	110.8	D150 I200 V201	D150-Y152 HydrophobicContact CB-CE1 4.13Å; D150-Y152 VanDerWaalsContact CG-CE1 3.49Å; D150-Y152 WeakPolarHBondContact OD1-CD1 3.38Å; D150-Y152 WeakPolarHBondContact OD1-CD2 3.32Å; D150-Y152 WeakPolarHBondContact OD1-CE1 3.37Å; D150-Y152 WeakPolarHBondContact OD1-CE2 3.47Å; D150-Y152 PolarHBondContact OD1-N 2.98Å; D150-Y152 VanDerWaalsContact OD1-O 3.13Å; D150-Y152 WeakPolarHBondContact OD2-CE2 3.4Å; D150-Y152 PolarHBondContact OD2-OH 3.46Å; Y152-I200 HydrophobicContact CD1-CD1 4.14Å; Y152-I200 HydrophobicContact CD2-CB 3.9Å; Y152-I200 HydrophobicContact CD2-CD1 4.14Å; Y152-I200 HydrophobicContact CD2-CG2 3.6Å; Y152-I200 HydrophobicContact CE2-CG2 3.99Å; Y152-I200 HydrophobicContact CG-CB 4.22Å; Y152-I200 HydrophobicContact CG-CD1 3.82Å; Y152-I200 HydrophobicContact CG-CG2 4.34Å; Y152-V201 CarbonylContact C-O 3.21Å; Y152-V201 WeakPolarHBondContact CA-O 3.27Å
153	I	96.7	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.8	175.2	-59.5	163	0	0	0	107.7	F142 Y145 D146 E157 M158 F190 V201 F206	F142-I153 HydrophobicContact CD2-CD1 3.51Å; F142-I153 HydrophobicContact CD2-CG1 4.18Å; F142-I153 HydrophobicContact CE2-CD1 3.56Å; F142-I153 HydrophobicContact CE2-CG1 3.78Å; F142-I153 HydrophobicContact CG-CD1 4.29Å; F142-I153 HydrophobicContact CZ-CD1 4.35Å; F142-I153 HydrophobicContact CZ-CG1 4.13Å; Y145-I153 HydrophobicContact CD2-CD1 4.41Å; D146-I153 HydrophobicContact CB-CG1 4.29Å; I153-E157 HydrophobicContact CG2-CB 4.46Å; I153-M158 HydrophobicContact CG2-CB 4.16Å; I153-F190 WeakPolarHBondContact O-CZ 3.23Å; I153-V201 HydrophobicContact CB-CB 4.37Å; I153-V201 PolarHBondContact N-O 2.91Å; I153-V201 PolarHBondContact O-N 3.4Å; I153-F206 HydrophobicContact CD1-CD2 4.47Å
154	N	97	Very high	93.7	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	171.9	173.9	72.6	55.5	0	0	0	112.1	E156 E157 M158 F190 I200	N154-E156 VanDerWaalsContact C-N 3.27Å; N154-E156 PolarHBondContact O-N 2.68Å; N154-E156 WeakPolarHBondContact OD1-CA 3.41Å; N154-E156 WeakPolarHBondContact OD1-CB 3.21Å; N154-E156 PolarHBondContact OD1-N 3.32Å; N154-E157 PolarHBondContact N-OE2 3.09Å; N154-E157 PolarHBondContact ND2-OE2 2.9Å; N154-E157 VanDerWaalsContact ND2-OE2 3.11Å; N154-E157 PolarHBondContact O-N 2.9Å; N154-E157 PolarHBondContact OD1-N 3.17Å; N154-M158 PolarHBondContact O-N 3Å; N154-M158 VanDerWaalsContact O-N 3.09Å; N154-F190 VanDerWaalsContact C-CZ 3.41Å; N154-I200 HydrophobicContact CB-CG2 4.21Å
155	K	95.5	Very high	93.2	Very high	100 Å²	100	42.5 Å²	42.5	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-63.6	-30.8	-177.2	-71.4	-168.5	176.1	-163.1	0	113.9	M159 V186 D187 F190	K155-M159 VanDerWaalsContact O-CB 3.24Å; K155-M159 WeakPolarHBondContact O-CB 3.44Å; K155-M159 PolarHBondContact O-N 3.36Å; K155-V186 HydrophobicContact CB-CG1 4.35Å; K155-V186 HydrophobicContact CG-CG1 4.39Å; K155-D187 IonicContact NZ-OD1 3.76Å; K155-F190 HydrophobicContact CB-CE2 4.28Å; K155-F190 HydrophobicContact CB-CZ 4.33Å; K155-F190 HydrophobicContact CG-CD1 4.06Å; K155-F190 HydrophobicContact CG-CD2 3.89Å; K155-F190 HydrophobicContact CG-CE1 3.85Å; K155-F190 HydrophobicContact CG-CE2 3.68Å; K155-F190 HydrophobicContact CG-CG 4.1Å; K155-F190 HydrophobicContact CG-CZ 3.67Å
156	E	96.4	Very high	92.6	Very high	150 Å²	150	45 Å²	45	70%	0.701	22%	0.223	S	C	*	.	H	α-helix	trans	-71.7	-44.6	179.9	-58.7	-176.4	169.3	0	0	110.1	N154 M159 D160	N154-E156 VanDerWaalsContact C-N 3.27Å; N154-E156 PolarHBondContact O-N 2.68Å; N154-E156 WeakPolarHBondContact OD1-CA 3.41Å; N154-E156 WeakPolarHBondContact OD1-CB 3.21Å; N154-E156 PolarHBondContact OD1-N 3.32Å; E156-M159 VanDerWaalsContact O-CB 3.32Å; E156-M159 WeakPolarHBondContact O-CB 3.18Å; E156-M159 PolarHBondContact O-N 3.42Å; E156-D160 PolarHBondContact O-N 3.17Å
157	E	96.3	Very high	92.1	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-47	177	-65.1	174.4	125.7	0	0	111.9	I147 N148 I153 N154 M159 D160 I161	I147-E157 HydrophobicContact CB-CG 4.19Å; I147-E157 HydrophobicContact CD1-CB 4.04Å; I147-E157 HydrophobicContact CD1-CG 4.3Å; I147-E157 HydrophobicContact CG1-CB 4.32Å; I147-E157 HydrophobicContact CG1-CG 4.42Å; I147-E157 PolarHBondContact N-OE1 3.23Å; I147-E157 VanDerWaalsContact N-OE1 3.1Å; N148-E157 VanDerWaalsContact CG-OE1 3.31Å; N148-E157 PolarHBondContact N-OE1 3.42Å; N148-E157 VanDerWaalsContact N-OE1 3.14Å; N148-E157 PolarHBondContact OD1-OE1 2.88Å; I153-E157 HydrophobicContact CG2-CB 4.46Å; N154-E157 PolarHBondContact N-OE2 3.09Å; N154-E157 PolarHBondContact ND2-OE2 2.9Å; N154-E157 VanDerWaalsContact ND2-OE2 3.11Å; N154-E157 PolarHBondContact O-N 2.9Å; N154-E157 PolarHBondContact OD1-N 3.17Å; E157-M159 VanDerWaalsContact C-N 3.25Å; E157-M159 PolarHBondContact O-N 2.94Å; E157-D160 PolarHBondContact O-N 3.21Å; E157-D160 VanDerWaalsContact O-N 3.08Å; E157-I161 WeakPolarHBondContact O-CG1 3.19Å; E157-I161 PolarHBondContact O-N 2.97Å
158	M	93.4	Very high	91.6	Very high	13 Å²	13	47 Å²	47	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-38.3	176.4	-169.7	68.6	-139.7	0	0	111.4	Y145 I153 N154 D160 I161 V162 V186 F189 F190	Y145-M158 HydrophobicContact CD2-SD 4.23Å; Y145-M158 HydrophobicContact CE2-CE 4.35Å; I153-M158 HydrophobicContact CG2-CB 4.16Å; N154-M158 PolarHBondContact O-N 3Å; N154-M158 VanDerWaalsContact O-N 3.09Å; M158-D160 VanDerWaalsContact C-N 3.31Å; M158-D160 PolarHBondContact O-N 3.27Å; M158-I161 HydrophobicContact CE-CG2 4.37Å; M158-I161 PolarHBondContact O-N 3.41Å; M158-V162 HydrophobicContact CE-CG2 3.55Å; M158-V162 HydrophobicContact CG-CG2 4.49Å; M158-V162 VanDerWaalsContact O-CG2 3.26Å; M158-V162 WeakPolarHBondContact O-CG2 3.49Å; M158-V162 PolarHBondContact O-N 3.26Å; M158-V186 HydrophobicContact CB-CG1 4.36Å; M158-V186 HydrophobicContact CB-CG2 4.3Å; M158-V186 HydrophobicContact CG-CG1 4.42Å; M158-V186 HydrophobicContact CG-CG2 4.01Å; M158-F189 HydrophobicContact CE-CD2 4.15Å; M158-F189 HydrophobicContact CE-CE2 4.4Å; M158-F189 HydrophobicContact CE-CG 4.42Å; M158-F189 HydrophobicContact CG-CB 4.47Å; M158-F189 HydrophobicContact CG-CD1 3.91Å; M158-F189 HydrophobicContact CG-CE1 4.28Å; M158-F189 HydrophobicContact CG-CG 4.12Å; M158-F189 HydrophobicContact SD-CD1 3.88Å; M158-F189 HydrophobicContact SD-CD2 3.93Å; M158-F189 HydrophobicContact SD-CE1 3.83Å; M158-F189 HydrophobicContact SD-CE2 3.88Å; M158-F189 HydrophobicContact SD-CG 3.93Å; M158-F189 HydrophobicContact SD-CZ 3.83Å; M158-F190 HydrophobicContact CB-CE2 3.93Å; M158-F190 HydrophobicContact CG-CE2 4.36Å
159	M	92.3	Very high	90.7	Very high	32 Å²	32	45 Å²	45	16%	0.158	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-42.1	174.9	178.1	64.2	63.2	0	0	111.8	K155 E156 E157 V162 K163 P182 R183 V186	K155-M159 VanDerWaalsContact O-CB 3.24Å; K155-M159 WeakPolarHBondContact O-CB 3.44Å; K155-M159 PolarHBondContact O-N 3.36Å; E156-M159 VanDerWaalsContact O-CB 3.32Å; E156-M159 WeakPolarHBondContact O-CB 3.18Å; E156-M159 PolarHBondContact O-N 3.42Å; E157-M159 VanDerWaalsContact C-N 3.25Å; E157-M159 PolarHBondContact O-N 2.94Å; M159-V162 PolarHBondContact O-N 2.87Å; M159-K163 HydrophobicContact CG-CD 4.21Å; M159-K163 VanDerWaalsContact CG-CE 3.49Å; M159-K163 WeakPolarHBondContact O-CB 3.43Å; M159-K163 VanDerWaalsContact O-CG 3.29Å; M159-K163 WeakPolarHBondContact O-CG 3.32Å; M159-K163 PolarHBondContact O-N 3.39Å; M159-K163 HydrophobicContact SD-CD 4.43Å; M159-K163 HydrophobicContact SD-CG 4.31Å; M159-P182 HydrophobicContact SD-CB 3.8Å; M159-R183 HydrophobicContact CE-CB 4.15Å; M159-R183 HydrophobicContact CE-CG 3.52Å; M159-V186 HydrophobicContact CB-CG2 4.14Å; M159-V186 HydrophobicContact CE-CB 4.32Å; M159-V186 HydrophobicContact CE-CG2 3.88Å; M159-V186 HydrophobicContact SD-CG2 4.39Å
160	D	93.9	Very high	89.6	Confident	60 Å²	60	43.6 Å²	43.6	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-70.1	-38.6	-179.5	-71	-19.1	0	0	0	112.1	Y104 I147 E156 E157 M158 K163 A164	Y104-D160 HydrophobicContact CE2-CB 4.47Å; I147-D160 HydrophobicContact CD1-CB 4.05Å; E156-D160 PolarHBondContact O-N 3.17Å; E157-D160 PolarHBondContact O-N 3.21Å; E157-D160 VanDerWaalsContact O-N 3.08Å; M158-D160 VanDerWaalsContact C-N 3.31Å; M158-D160 PolarHBondContact O-N 3.27Å; D160-K163 IonicContact OD1-NZ 2.73Å; D160-A164 VanDerWaalsContact O-CB 3.27Å; D160-A164 WeakPolarHBondContact O-CB 3.45Å; D160-A164 PolarHBondContact O-N 2.96Å
161	I	91.3	Very high	87.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-50	170.7	-66	-65.6	0	0	0	110.8	Y104 Y145 I147 E157 M158 K163 A164 I165	Y104-I161 HydrophobicContact CD2-CD1 3.7Å; Y104-I161 HydrophobicContact CE2-CD1 4.28Å; Y104-I161 HydrophobicContact CG-CD1 4.03Å; Y145-I161 HydrophobicContact CD1-CD1 4.11Å; Y145-I161 HydrophobicContact CD1-CG1 4.13Å; Y145-I161 HydrophobicContact CD1-CG2 3.86Å; Y145-I161 HydrophobicContact CE1-CG2 3.73Å; Y145-I161 HydrophobicContact CG-CG1 4.41Å; Y145-I161 HydrophobicContact CG-CG2 4.42Å; I147-I161 HydrophobicContact CD1-CD1 4.31Å; I147-I161 HydrophobicContact CD1-CG1 4.29Å; I147-I161 HydrophobicContact CG1-CD1 4.34Å; E157-I161 WeakPolarHBondContact O-CG1 3.19Å; E157-I161 PolarHBondContact O-N 2.97Å; M158-I161 HydrophobicContact CE-CG2 4.37Å; M158-I161 PolarHBondContact O-N 3.41Å; I161-K163 PolarHBondContact O-N 3.41Å; I161-A164 PolarHBondContact O-N 3.4Å; I161-I165 HydrophobicContact CG2-CD1 3.72Å; I161-I165 VanDerWaalsContact O-CG1 3.25Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 2.87Å
162	V	88.2	Confident	86	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-46.3	-179.7	174.3	0	0	0	0	110.7	M158 M159 A164 I165 Y166 P182 H185 V186	M158-V162 HydrophobicContact CE-CG2 3.55Å; M158-V162 HydrophobicContact CG-CG2 4.49Å; M158-V162 VanDerWaalsContact O-CG2 3.26Å; M158-V162 WeakPolarHBondContact O-CG2 3.49Å; M158-V162 PolarHBondContact O-N 3.26Å; M159-V162 PolarHBondContact O-N 2.87Å; V162-A164 PolarHBondContact O-N 3.2Å; V162-I165 PolarHBondContact O-N 3.46Å; V162-Y166 HydrophobicContact CG1-CD2 3.78Å; V162-Y166 HydrophobicContact CG1-CE2 3.47Å; V162-Y166 VanDerWaalsContact CG1-CE2 3.47Å; V162-Y166 WeakPolarHBondContact O-CD2 3.11Å; V162-Y166 PolarHBondContact O-N 3.25Å; V162-P182 HydrophobicContact CG1-CB 3.8Å; V162-P182 HydrophobicContact CG1-CG 4.46Å; V162-H185 HydrophobicContact CG1-CB 4.2Å; V162-H185 HydrophobicContact CG2-CB 4.45Å; V162-V186 HydrophobicContact CG2-CG2 4.15Å
163	K	88.3	Confident	83.8	Confident	92 Å²	92	56.1 Å²	56.1	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-46.9	176.8	-74.1	171.7	-172.6	158.2	0	112	M159 D160 I161 I165 Y166 D167 P182	M159-K163 HydrophobicContact CG-CD 4.21Å; M159-K163 VanDerWaalsContact CG-CE 3.49Å; M159-K163 WeakPolarHBondContact O-CB 3.43Å; M159-K163 VanDerWaalsContact O-CG 3.29Å; M159-K163 WeakPolarHBondContact O-CG 3.32Å; M159-K163 PolarHBondContact O-N 3.39Å; M159-K163 HydrophobicContact SD-CD 4.43Å; M159-K163 HydrophobicContact SD-CG 4.31Å; D160-K163 IonicContact OD1-NZ 2.73Å; I161-K163 PolarHBondContact O-N 3.41Å; K163-I165 PolarHBondContact O-N 3Å; K163-Y166 WeakPolarHBondContact O-CB 3.45Å; K163-Y166 PolarHBondContact O-N 2.86Å; K163-D167 PolarHBondContact O-N 2.89Å; K163-P182 HydrophobicContact CG-CB 4.45Å
164	A	89.3	Confident	80.8	Confident	1 Å²	1	66 Å²	66	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-38.1	179.3	0	0	0	0	0	112.1	T100 Y101 Y104 D160 I161 V162 M168	T100-A164 HydrophobicContact CG2-CB 3.71Å; Y101-A164 HydrophobicContact CD2-CB 4.43Å; Y104-A164 HydrophobicContact CD2-CB 4.16Å; Y104-A164 HydrophobicContact CE2-CB 3.93Å; D160-A164 VanDerWaalsContact O-CB 3.27Å; D160-A164 WeakPolarHBondContact O-CB 3.45Å; D160-A164 PolarHBondContact O-N 2.96Å; I161-A164 PolarHBondContact O-N 3.4Å; V162-A164 PolarHBondContact O-N 3.2Å; A164-M168 WeakPolarHBondContact O-CB 3.35Å; A164-M168 PolarHBondContact O-N 2.94Å
165	I	83.6	Confident	78.3	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-44.1	174.3	-69.8	167.7	0	0	0	111.3	Y101 I161 V162 K163 M168 M169 F223	Y101-I165 HydrophobicContact CD2-CG1 3.77Å; Y101-I165 HydrophobicContact CE2-CD1 4.15Å; Y101-I165 HydrophobicContact CE2-CG1 3.7Å; I161-I165 HydrophobicContact CG2-CD1 3.72Å; I161-I165 VanDerWaalsContact O-CG1 3.25Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 2.87Å; V162-I165 PolarHBondContact O-N 3.46Å; K163-I165 PolarHBondContact O-N 3Å; I165-M168 PolarHBondContact O-N 2.71Å; I165-M169 HydrophobicContact CG2-CE 3.34Å; I165-M169 HydrophobicContact CG2-CG 4.28Å; I165-M169 HydrophobicContact CG2-SD 3.52Å; I165-M169 VanDerWaalsContact CG2-SD 3.52Å; I165-M169 VanDerWaalsContact O-CB 3.28Å; I165-M169 WeakPolarHBondContact O-CB 3.3Å; I165-M169 WeakPolarHBondContact O-CG 3.45Å; I165-M169 PolarHBondContact O-N 3.43Å; I165-F223 HydrophobicContact CD1-CD1 3.84Å; I165-F223 HydrophobicContact CD1-CE1 4.2Å; I165-F223 HydrophobicContact CD1-CG 4.28Å; I165-F223 HydrophobicContact CG2-CD1 3.81Å; I165-F223 HydrophobicContact CG2-CE1 3.65Å
166	Y	80.3	Confident	75.8	Confident	57 Å²	57	68.4 Å²	68.4	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.7	-86.6	-121.5	0	0	0	112	V162 K163 M168 M169 G170 L177 D180 P182 H185	V162-Y166 HydrophobicContact CG1-CD2 3.78Å; V162-Y166 HydrophobicContact CG1-CE2 3.47Å; V162-Y166 VanDerWaalsContact CG1-CE2 3.47Å; V162-Y166 WeakPolarHBondContact O-CD2 3.11Å; V162-Y166 PolarHBondContact O-N 3.25Å; K163-Y166 WeakPolarHBondContact O-CB 3.45Å; K163-Y166 PolarHBondContact O-N 2.86Å; Y166-M168 VanDerWaalsContact C-N 3.34Å; Y166-M169 PolarHBondContact O-N 3.28Å; Y166-G170 PolarHBondContact O-N 3.48Å; Y166-L177 HydrophobicContact CD1-CD1 4.32Å; Y166-L177 HydrophobicContact CD2-CD1 3.93Å; Y166-L177 HydrophobicContact CE1-CB 4.33Å; Y166-L177 HydrophobicContact CE1-CD1 3.71Å; Y166-L177 HydrophobicContact CE2-CD1 3.28Å; Y166-L177 HydrophobicContact CG-CD1 4.45Å; Y166-L177 WeakPolarHBondContact OH-CB 3.47Å; Y166-L177 WeakPolarHBondContact OH-CD1 3.25Å; Y166-D180 PolarHBondContact OH-O 3.29Å; Y166-P182 HydrophobicContact CD1-CG 4.39Å; Y166-P182 HydrophobicContact CE1-CG 4.26Å; Y166-H185 AromaticContact CE2-ND1 3.77Å; Y166-H185 AromaticContact CZ-CE1 3.98Å; Y166-H185 AromaticContact CZ-ND1 3.92Å; Y166-H185 PolarHBondContact OH-CE1 2.96Å; Y166-H185 PolarHBondContact OH-ND1 3.37Å; Y166-H185 VanDerWaalsContact OH-ND1 3.12Å
167	D	83.4	Confident	73.6	Confident	86 Å²	86	63.7 Å²	63.7	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-40.3	178.1	-67.6	-24.7	0	0	0	111.4	D97 K163 G170	D97-D167 PolarHBondContact N-O 3.5Å; D97-D167 VanDerWaalsContact N-O 3.1Å; D97-D167 CarbonylContact O-C 3.58Å; K163-D167 PolarHBondContact O-N 2.89Å; D167-G170 PolarHBondContact O-N 2.74Å
168	M	82.6	Confident	71.4	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-43.8	176.1	178	175.3	57.8	0	0	112.6	Y89 F93 G96 D97 A98 Y101 A164 I165 Y166 G170 V226	Y89-M168 HydrophobicContact CE1-SD 3.83Å; F93-M168 HydrophobicContact CD1-CG 4.14Å; F93-M168 HydrophobicContact CD2-SD 4.43Å; F93-M168 HydrophobicContact CE1-CG 4.37Å; F93-M168 HydrophobicContact CE1-SD 4.38Å; F93-M168 HydrophobicContact CE2-SD 4.19Å; F93-M168 HydrophobicContact CG-CG 4.25Å; F93-M168 HydrophobicContact CZ-SD 4.17Å; G96-M168 WeakPolarHBondContact CA-O 3.23Å; D97-M168 WeakPolarHBondContact O-CA 3.46Å; D97-M168 PolarHBondContact O-N 3.42Å; A98-M168 HydrophobicContact CB-CB 4.42Å; A98-M168 HydrophobicContact CB-CG 3.86Å; A98-M168 HydrophobicContact CB-SD 4.16Å; Y101-M168 HydrophobicContact CD1-CE 3.64Å; Y101-M168 HydrophobicContact CD1-SD 3.66Å; Y101-M168 HydrophobicContact CD2-CE 4.33Å; Y101-M168 HydrophobicContact CE1-CE 3.97Å; Y101-M168 HydrophobicContact CE1-SD 4.37Å; Y101-M168 HydrophobicContact CG-CE 3.82Å; Y101-M168 HydrophobicContact CG-SD 4.07Å; A164-M168 WeakPolarHBondContact O-CB 3.35Å; A164-M168 PolarHBondContact O-N 2.94Å; I165-M168 PolarHBondContact O-N 2.71Å; Y166-M168 VanDerWaalsContact C-N 3.34Å; M168-G170 VanDerWaalsContact C-N 3.25Å; M168-G170 PolarHBondContact O-N 2.93Å; M168-V226 HydrophobicContact CE-CB 4.44Å; M168-V226 HydrophobicContact CE-CG1 3.53Å; M168-V226 HydrophobicContact SD-CG1 3.92Å
169	M	75.8	Confident	69.4	Low	43 Å²	43	78.8 Å²	78.8	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-69.4	-24.8	179.3	-76.9	176.6	178.7	0	0	112.8	I165 Y166 T173 F223 V226	I165-M169 HydrophobicContact CG2-CE 3.34Å; I165-M169 HydrophobicContact CG2-CG 4.28Å; I165-M169 HydrophobicContact CG2-SD 3.52Å; I165-M169 VanDerWaalsContact CG2-SD 3.52Å; I165-M169 VanDerWaalsContact O-CB 3.28Å; I165-M169 WeakPolarHBondContact O-CB 3.3Å; I165-M169 WeakPolarHBondContact O-CG 3.45Å; I165-M169 PolarHBondContact O-N 3.43Å; Y166-M169 PolarHBondContact O-N 3.28Å; M169-T173 HydrophobicContact CB-CG2 3.45Å; M169-T173 VanDerWaalsContact CB-CG2 3.45Å; M169-T173 HydrophobicContact CG-CG2 3.47Å; M169-T173 VanDerWaalsContact CG-CG2 3.47Å; M169-T173 HydrophobicContact SD-CG2 3.65Å; M169-F223 HydrophobicContact CE-CD1 3.9Å; M169-F223 HydrophobicContact CE-CE1 3.82Å; M169-V226 HydrophobicContact CE-CG2 4.43Å
170	G	69.4	Low	67.9	Low	32 Å²	32	80 Å²	80	33%	0.33	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	57.1	-150.2	-177.9	0	0	0	0	0	112.5	Y166 D167 M168 Y172	Y166-G170 PolarHBondContact O-N 3.48Å; D167-G170 PolarHBondContact O-N 2.74Å; M168-G170 VanDerWaalsContact C-N 3.25Å; M168-G170 PolarHBondContact O-N 2.93Å; G170-Y172 VanDerWaalsContact C-N 3.28Å; G170-Y172 PolarHBondContact O-N 2.97Å
171	K	59.3	Low	67	Low	201 Å²	201	80.5 Å²	80.5	87%	0.874	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-81.8	0.8	-178.7	-63	-178.5	-178.6	176.5	0	114.3
172	Y	55.2	Low	66.6	Low	196 Å²	196	82.1 Å²	82.1	77%	0.769	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-104.8	0.6	-168.4	-72	-73.2	0	0	0	115.3	G170 Y174	G170-Y172 VanDerWaalsContact C-N 3.28Å; G170-Y172 PolarHBondContact O-N 2.97Å; Y172-Y174 PolarHBondContact O-N 3.15Å
173	T	51.3	Low	66.6	Low	50 Å²	50	90.2 Å²	90.2	31%	0.307	43%	0.431	S	S	.	.			trans	-77	96.3	166.1	46.9	0	0	0	0	109.8	M169 P175 V176	M169-T173 HydrophobicContact CB-CG2 3.45Å; M169-T173 VanDerWaalsContact CB-CG2 3.45Å; M169-T173 HydrophobicContact CG-CG2 3.47Å; M169-T173 VanDerWaalsContact CG-CG2 3.47Å; M169-T173 HydrophobicContact SD-CG2 3.65Å; T173-P175 CarbonylContact C-O 3.42Å; T173-P175 CarbonylContact O-C 3.56Å; T173-V176 PolarHBondContact O-N 3.17Å
174	Y	34	Very low	66.4	Low	209 Å²	209	90.1 Å²	90.1	82%	0.82	43%	0.432	S	S	*	.	S	Bend	trans	-92.4	136.6	163.7	-132.7	-95	0	0	0	109.1	Y172 V176	Y172-Y174 PolarHBondContact O-N 3.15Å; Y174-V176 HydrophobicContact CD2-CG2 4.16Å; Y174-V176 HydrophobicContact CE2-CG2 3.95Å
175	P	44.3	Very low	66.1	Low	97 Å²	97	92.3 Å²	92.3	63%	0.63	44%	0.442	S	S	*	.	S	Bend	cis	-64.3	140.3	-2.2	31.2	-31.1	0	0	0	107.8	T173 L177	T173-P175 CarbonylContact C-O 3.42Å; T173-P175 CarbonylContact O-C 3.56Å; P175-L177 VanDerWaalsContact C-N 3.26Å; P175-L177 PolarHBondContact O-N 3.08Å
176	V	44	Very low	66.4	Low	85 Å²	85	92.1 Å²	92.1	52%	0.515	44%	0.441	S	S	.	.			trans	-37.6	110.4	156.1	175.1	0	0	0	0	102.1	T173 Y174 K178	T173-V176 PolarHBondContact O-N 3.17Å; Y174-V176 HydrophobicContact CD2-CG2 4.16Å; Y174-V176 HydrophobicContact CE2-CG2 3.95Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 WeakPolarHBondContact O-CA 3.49Å; V176-K178 PolarHBondContact O-N 3.13Å
177	L	49.3	Very low	66.8	Low	51 Å²	51	93.5 Å²	93.5	27%	0.267	45%	0.452	S	S	.	.			trans	-40.5	114.9	169	-70.2	165.3	0	0	0	101.6	Y166 P175 E179	Y166-L177 HydrophobicContact CD1-CD1 4.32Å; Y166-L177 HydrophobicContact CD2-CD1 3.93Å; Y166-L177 HydrophobicContact CE1-CB 4.33Å; Y166-L177 HydrophobicContact CE1-CD1 3.71Å; Y166-L177 HydrophobicContact CE2-CD1 3.28Å; Y166-L177 HydrophobicContact CG-CD1 4.45Å; Y166-L177 WeakPolarHBondContact OH-CB 3.47Å; Y166-L177 WeakPolarHBondContact OH-CD1 3.25Å; P175-L177 VanDerWaalsContact C-N 3.26Å; P175-L177 PolarHBondContact O-N 3.08Å; L177-E179 PolarHBondContact O-N 3.29Å
178	K	50.5	Low	67	Low	161 Å²	161	92.7 Å²	92.7	70%	0.7	45%	0.451	S	S	*	.			trans	-40.2	145.7	-169.9	-74.9	174.9	176.4	175.8	0	106.3	V176 D180	V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 WeakPolarHBondContact O-CA 3.49Å; V176-K178 PolarHBondContact O-N 3.13Å; K178-D180 CarbonylContact O-C 3.59Å; K178-D180 WeakPolarHBondContact O-CA 3.36Å; K178-D180 WeakPolarHBondContact O-CB 3.31Å; K178-D180 PolarHBondContact O-N 3.13Å
179	E	51.2	Low	67.2	Low	182 Å²	182	93.5 Å²	93.5	85%	0.85	45%	0.454	S	S	*	.	S	Bend	trans	-45.2	-4	-170.6	-63	175.1	151	0	0	117.1	L177 T181	L177-E179 PolarHBondContact O-N 3.29Å; E179-T181 VanDerWaalsContact C-N 3.31Å; E179-T181 PolarHBondContact O-N 3.41Å
180	D	61	Low	68.1	Low	58 Å²	58	91.9 Å²	91.9	31%	0.31	45%	0.446	S	S	.	.			trans	-15.1	86.7	134.5	-38	4.8	0	0	0	114.2	Y166 K178 Q184	Y166-D180 PolarHBondContact OH-O 3.29Å; K178-D180 CarbonylContact O-C 3.59Å; K178-D180 WeakPolarHBondContact O-CA 3.36Å; K178-D180 WeakPolarHBondContact O-CB 3.31Å; K178-D180 PolarHBondContact O-N 3.13Å; D180-Q184 HydrophobicContact CB-CB 3.94Å; D180-Q184 PolarHBondContact OD1-OE1 3.44Å; D180-Q184 VanDerWaalsContact OD1-OE1 3.11Å
181	T	75.6	Confident	69.1	Low	69 Å²	69	98.1 Å²	98.1	42%	0.423	47%	0.466	S	S	.	.			trans	-52.8	155.1	167.1	62.4	0	0	0	0	110.4	E179 R183 Q184	E179-T181 VanDerWaalsContact C-N 3.31Å; E179-T181 PolarHBondContact O-N 3.41Å; T181-R183 PolarHBondContact O-N 3.43Å; T181-Q184 PolarHBondContact O-N 2.92Å
182	P	82.4	Confident	70.5	Confident	34 Å²	34	92.5 Å²	92.5	22%	0.221	44%	0.442	C	S	.	.	H	α-helix	trans	-43.3	-32.7	171.9	-33.9	37.2	0	0	0	114.6	M159 V162 K163 Y166 H185 V186	M159-P182 HydrophobicContact SD-CB 3.8Å; V162-P182 HydrophobicContact CG1-CB 3.8Å; V162-P182 HydrophobicContact CG1-CG 4.46Å; K163-P182 HydrophobicContact CG-CB 4.45Å; Y166-P182 HydrophobicContact CD1-CG 4.39Å; Y166-P182 HydrophobicContact CE1-CG 4.26Å; P182-H185 PolarHBondContact O-N 2.8Å; P182-V186 WeakPolarHBondContact O-CG2 3.45Å; P182-V186 PolarHBondContact O-N 3.11Å
183	R	87.1	Confident	72.2	Confident	179 Å²	179	83.2 Å²	83.2	68%	0.675	41%	0.406	S	S	*	.	H	α-helix	trans	-59	-44.1	173.7	-66.1	174.5	-179.4	-173.4	0.1	113.9	M159 T181 H185 V186 D187	M159-R183 HydrophobicContact CE-CB 4.15Å; M159-R183 HydrophobicContact CE-CG 3.52Å; T181-R183 PolarHBondContact O-N 3.43Å; R183-H185 VanDerWaalsContact C-N 3.33Å; R183-H185 PolarHBondContact O-N 3.19Å; R183-V186 PolarHBondContact O-N 3.34Å; R183-D187 VanDerWaalsContact O-CG 3.32Å; R183-D187 PolarHBondContact O-N 3.35Å
184	Q	85.5	Confident	74.2	Confident	90 Å²	90	81.6 Å²	81.6	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-67.2	-37	179.7	-68	-173.3	11.7	0	0	111.4	D180 T181 D187 V188	D180-Q184 HydrophobicContact CB-CB 3.94Å; D180-Q184 PolarHBondContact OD1-OE1 3.44Å; D180-Q184 VanDerWaalsContact OD1-OE1 3.11Å; T181-Q184 PolarHBondContact O-N 2.92Å; Q184-D187 PolarHBondContact O-N 2.87Å; Q184-V188 WeakPolarHBondContact O-CB 3.32Å; Q184-V188 VanDerWaalsContact O-CG2 3.25Å; Q184-V188 WeakPolarHBondContact O-CG2 3.49Å; Q184-V188 PolarHBondContact O-N 3.29Å
185	H	83.1	Confident	77	Confident	47 Å²	47	75.7 Å²	75.7	22%	0.218	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-42.3	172.7	-78.1	-166.7	0	0	0	112.4	V162 Y166 P182 R183 V188 F189	V162-H185 HydrophobicContact CG1-CB 4.2Å; V162-H185 HydrophobicContact CG2-CB 4.45Å; Y166-H185 AromaticContact CE2-ND1 3.77Å; Y166-H185 AromaticContact CZ-CE1 3.98Å; Y166-H185 AromaticContact CZ-ND1 3.92Å; Y166-H185 PolarHBondContact OH-CE1 2.96Å; Y166-H185 PolarHBondContact OH-ND1 3.37Å; Y166-H185 VanDerWaalsContact OH-ND1 3.12Å; P182-H185 PolarHBondContact O-N 2.8Å; R183-H185 VanDerWaalsContact C-N 3.33Å; R183-H185 PolarHBondContact O-N 3.19Å; H185-V188 PolarHBondContact O-N 2.84Å; H185-F189 WeakPolarHBondContact O-CB 3.24Å; H185-F189 PolarHBondContact O-N 3.27Å
186	V	88.6	Confident	79.5	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.018	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-46	173.8	174	0	0	0	0	110.8	K155 M158 M159 V162 P182 R183 V188 F189 F190	K155-V186 HydrophobicContact CB-CG1 4.35Å; K155-V186 HydrophobicContact CG-CG1 4.39Å; M158-V186 HydrophobicContact CB-CG1 4.36Å; M158-V186 HydrophobicContact CB-CG2 4.3Å; M158-V186 HydrophobicContact CG-CG1 4.42Å; M158-V186 HydrophobicContact CG-CG2 4.01Å; M159-V186 HydrophobicContact CB-CG2 4.14Å; M159-V186 HydrophobicContact CE-CB 4.32Å; M159-V186 HydrophobicContact CE-CG2 3.88Å; M159-V186 HydrophobicContact SD-CG2 4.39Å; V162-V186 HydrophobicContact CG2-CG2 4.15Å; P182-V186 WeakPolarHBondContact O-CG2 3.45Å; P182-V186 PolarHBondContact O-N 3.11Å; R183-V186 PolarHBondContact O-N 3.34Å; V186-V188 VanDerWaalsContact C-N 3.34Å; V186-V188 PolarHBondContact O-N 3.47Å; V186-F189 WeakPolarHBondContact O-CB 3.47Å; V186-F189 PolarHBondContact O-N 2.83Å; V186-F190 HydrophobicContact CG1-CD2 3.86Å; V186-F190 HydrophobicContact CG1-CE2 4.09Å; V186-F190 WeakPolarHBondContact O-CD2 3.35Å; V186-F190 PolarHBondContact O-N 2.89Å
187	D	90.3	Very high	81.9	Confident	85 Å²	85	80.2 Å²	80.2	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-40.7	179.6	-71.3	-31.6	0	0	0	111.9	K155 R183 Q184 F190 Q191	K155-D187 IonicContact NZ-OD1 3.76Å; R183-D187 VanDerWaalsContact O-CG 3.32Å; R183-D187 PolarHBondContact O-N 3.35Å; Q184-D187 PolarHBondContact O-N 2.87Å; D187-F190 PolarHBondContact O-N 3.36Å; D187-Q191 VanDerWaalsContact O-CB 3.26Å; D187-Q191 WeakPolarHBondContact O-CB 3.31Å; D187-Q191 PolarHBondContact O-N 3.49Å
188	V	86.6	Confident	84.2	Confident	70 Å²	70	81.9 Å²	81.9	42%	0.424	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-39.7	174.6	169.9	0	0	0	0	111.4	Q184 H185 V186 K192	Q184-V188 WeakPolarHBondContact O-CB 3.32Å; Q184-V188 VanDerWaalsContact O-CG2 3.25Å; Q184-V188 WeakPolarHBondContact O-CG2 3.49Å; Q184-V188 PolarHBondContact O-N 3.29Å; H185-V188 PolarHBondContact O-N 2.84Å; V186-V188 VanDerWaalsContact C-N 3.34Å; V186-V188 PolarHBondContact O-N 3.47Å; V188-K192 HydrophobicContact CG1-CD 4.26Å; V188-K192 WeakPolarHBondContact O-CG 3.07Å; V188-K192 PolarHBondContact O-N 3.49Å
189	F	87.8	Confident	86.3	Confident	22 Å²	22	75.5 Å²	75.5	10%	0.096	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-53.9	175.1	179.1	-89.5	0	0	0	110.6	M158 H185 V186 Q191 K192 M193 V201 F206	M158-F189 HydrophobicContact CE-CD2 4.15Å; M158-F189 HydrophobicContact CE-CE2 4.4Å; M158-F189 HydrophobicContact CE-CG 4.42Å; M158-F189 HydrophobicContact CG-CB 4.47Å; M158-F189 HydrophobicContact CG-CD1 3.91Å; M158-F189 HydrophobicContact CG-CE1 4.28Å; M158-F189 HydrophobicContact CG-CG 4.12Å; M158-F189 HydrophobicContact SD-CD1 3.88Å; M158-F189 HydrophobicContact SD-CD2 3.93Å; M158-F189 HydrophobicContact SD-CE1 3.83Å; M158-F189 HydrophobicContact SD-CE2 3.88Å; M158-F189 HydrophobicContact SD-CG 3.93Å; M158-F189 HydrophobicContact SD-CZ 3.83Å; H185-F189 WeakPolarHBondContact O-CB 3.24Å; H185-F189 PolarHBondContact O-N 3.27Å; V186-F189 WeakPolarHBondContact O-CB 3.47Å; V186-F189 PolarHBondContact O-N 2.83Å; F189-Q191 PolarHBondContact O-N 3.12Å; F189-K192 PolarHBondContact O-N 3.43Å; F189-K192 VanDerWaalsContact O-N 3.13Å; F189-M193 HydrophobicContact CD1-CB 4.42Å; F189-M193 HydrophobicContact CD1-CG 4.15Å; F189-M193 HydrophobicContact CD2-CE 4.21Å; F189-M193 HydrophobicContact CD2-CG 4Å; F189-M193 HydrophobicContact CE1-CB 4.18Å; F189-M193 HydrophobicContact CE1-CG 3.97Å; F189-M193 HydrophobicContact CE2-CE 3.64Å; F189-M193 HydrophobicContact CE2-CG 3.81Å; F189-M193 HydrophobicContact CG-CG 4.17Å; F189-M193 HydrophobicContact CZ-CB 4.4Å; F189-M193 HydrophobicContact CZ-CE 4.21Å; F189-M193 HydrophobicContact CZ-CG 3.8Å; F189-M193 WeakPolarHBondContact O-CB 3.42Å; F189-M193 VanDerWaalsContact O-CG 3.27Å; F189-M193 WeakPolarHBondContact O-CG 3.19Å; F189-M193 PolarHBondContact O-N 2.99Å; F189-V201 HydrophobicContact CE1-CB 4.42Å; F189-V201 HydrophobicContact CE1-CG2 3.94Å; F189-F206 HydrophobicContact CE2-CE2 4.21Å; F189-F206 HydrophobicContact CZ-CD2 4.17Å; F189-F206 HydrophobicContact CZ-CE2 4.12Å
190	F	92.8	Very high	88.5	Confident	8 Å²	8	69 Å²	69	4%	0.035	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-38.5	179.5	-86.3	-96.1	0	0	0	112.3	I153 N154 K155 M158 V186 D187 K192 M193 D194 G199 V201	I153-F190 WeakPolarHBondContact O-CZ 3.23Å; N154-F190 VanDerWaalsContact C-CZ 3.41Å; K155-F190 HydrophobicContact CB-CE2 4.28Å; K155-F190 HydrophobicContact CB-CZ 4.33Å; K155-F190 HydrophobicContact CG-CD1 4.06Å; K155-F190 HydrophobicContact CG-CD2 3.89Å; K155-F190 HydrophobicContact CG-CE1 3.85Å; K155-F190 HydrophobicContact CG-CE2 3.68Å; K155-F190 HydrophobicContact CG-CG 4.1Å; K155-F190 HydrophobicContact CG-CZ 3.67Å; M158-F190 HydrophobicContact CB-CE2 3.93Å; M158-F190 HydrophobicContact CG-CE2 4.36Å; V186-F190 HydrophobicContact CG1-CD2 3.86Å; V186-F190 HydrophobicContact CG1-CE2 4.09Å; V186-F190 WeakPolarHBondContact O-CD2 3.35Å; V186-F190 PolarHBondContact O-N 2.89Å; D187-F190 PolarHBondContact O-N 3.36Å; F190-K192 PolarHBondContact O-N 3.38Å; F190-K192 VanDerWaalsContact O-N 3.15Å; F190-M193 PolarHBondContact O-N 3.1Å; F190-D194 HydrophobicContact CD1-CB 3.93Å; F190-D194 VanDerWaalsContact O-CB 3.3Å; F190-D194 WeakPolarHBondContact O-CB 3.36Å; F190-D194 PolarHBondContact O-N 3.34Å; F190-G199 VanDerWaalsContact CE1-O 3.24Å; F190-G199 WeakPolarHBondContact CE1-O 3.38Å; F190-V201 HydrophobicContact CD1-CG2 4.08Å; F190-V201 HydrophobicContact CE1-CG2 3.83Å; F190-V201 HydrophobicContact CZ-CG2 4.18Å
191	Q	91.5	Very high	90.2	Very high	163 Å²	163	66.2 Å²	66.2	76%	0.762	33%	0.326	S	S	*	.	H	α-helix	trans	-58.8	-30.9	176.1	-176.6	179	5.8	0	0	113	D187 F189	D187-Q191 VanDerWaalsContact O-CB 3.26Å; D187-Q191 WeakPolarHBondContact O-CB 3.31Å; D187-Q191 PolarHBondContact O-N 3.49Å; F189-Q191 PolarHBondContact O-N 3.12Å
192	K	88.6	Confident	91.3	Very high	83 Å²	83	65 Å²	65	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-91.9	-38.4	-177.9	-73.8	179.9	161.2	-136	0	113.3	V188 F189 F190 S209 D213 I216	V188-K192 HydrophobicContact CG1-CD 4.26Å; V188-K192 WeakPolarHBondContact O-CG 3.07Å; V188-K192 PolarHBondContact O-N 3.49Å; F189-K192 PolarHBondContact O-N 3.43Å; F189-K192 VanDerWaalsContact O-N 3.13Å; F190-K192 PolarHBondContact O-N 3.38Å; F190-K192 VanDerWaalsContact O-N 3.15Å; K192-S209 PolarHBondContact O-OG 2.83Å; K192-D213 IonicContact NZ-OD2 3.73Å; K192-D213 PolarHBondContact NZ-OD2 2.97Å; K192-I216 HydrophobicContact CB-CD1 3.8Å; K192-I216 HydrophobicContact CD-CD1 3.79Å; K192-I216 HydrophobicContact CD-CG1 3.89Å; K192-I216 HydrophobicContact CG-CD1 4.26Å
193	M	90.4	Very high	91.9	Very high	2 Å²	2	66 Å²	66	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-93.9	-43	-170	-62.4	-66.8	-155.4	0	0	113.2	F189 F190 K195 V201 E205 F206 S209 I216 L220	F189-M193 HydrophobicContact CD1-CB 4.42Å; F189-M193 HydrophobicContact CD1-CG 4.15Å; F189-M193 HydrophobicContact CD2-CE 4.21Å; F189-M193 HydrophobicContact CD2-CG 4Å; F189-M193 HydrophobicContact CE1-CB 4.18Å; F189-M193 HydrophobicContact CE1-CG 3.97Å; F189-M193 HydrophobicContact CE2-CE 3.64Å; F189-M193 HydrophobicContact CE2-CG 3.81Å; F189-M193 HydrophobicContact CG-CG 4.17Å; F189-M193 HydrophobicContact CZ-CB 4.4Å; F189-M193 HydrophobicContact CZ-CE 4.21Å; F189-M193 HydrophobicContact CZ-CG 3.8Å; F189-M193 WeakPolarHBondContact O-CB 3.42Å; F189-M193 VanDerWaalsContact O-CG 3.27Å; F189-M193 WeakPolarHBondContact O-CG 3.19Å; F189-M193 PolarHBondContact O-N 2.99Å; F190-M193 PolarHBondContact O-N 3.1Å; M193-K195 PolarHBondContact O-N 3.11Å; M193-V201 HydrophobicContact CB-CB 4.48Å; M193-V201 HydrophobicContact CB-CG1 3.86Å; M193-V201 HydrophobicContact CB-CG2 3.71Å; M193-E205 WeakPolarHBondContact O-CB 3.31Å; M193-F206 HydrophobicContact CE-CD2 3.89Å; M193-F206 HydrophobicContact CE-CE2 3.84Å; M193-F206 HydrophobicContact SD-CD2 4.32Å; M193-S209 WeakPolarHBondContact SD-CB 3.47Å; M193-I216 HydrophobicContact CE-CG2 3.28Å; M193-I216 HydrophobicContact SD-CG2 4.22Å; M193-L220 HydrophobicContact CE-CD1 4Å
194	D	94.2	Very high	92.3	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.08	32%	0.32	C	S	.	.			trans	-78.7	93.3	-178.2	174.5	3.1	0	0	0	108.8	F190 N196 K197 D198 G199 V201	F190-D194 HydrophobicContact CD1-CB 3.93Å; F190-D194 VanDerWaalsContact O-CB 3.3Å; F190-D194 WeakPolarHBondContact O-CB 3.36Å; F190-D194 PolarHBondContact O-N 3.34Å; D194-N196 PolarHBondContact OD1-OD1 2.82Å; D194-N196 VanDerWaalsContact OD1-OD1 3.09Å; D194-K197 WeakPolarHBondContact OD1-CA 3.48Å; D194-K197 PolarHBondContact OD1-N 3.3Å; D194-K197 WeakPolarHBondContact OD2-CA 2.98Å; D194-D198 PolarHBondContact OD1-N 2.99Å; D194-G199 WeakPolarHBondContact OD2-CA 3.32Å; D194-G199 PolarHBondContact OD2-N 3.45Å; D194-V201 HydrophobicContact CB-CG2 3.97Å
195	K	92.9	Very high	92.8	Very high	86 Å²	86	59.6 Å²	59.6	37%	0.374	30%	0.303	S	S	.	.	S	Bend	trans	-74.9	-39.4	-171.5	-64.2	-60	-167.3	-177.5	0	111	M193 E205 S209 E212	M193-K195 PolarHBondContact O-N 3.11Å; K195-E205 HydrophobicContact CB-CG 4.34Å; K195-E205 HydrophobicContact CG-CG 4.23Å; K195-E205 PolarHBondContact N-OE1 3.41Å; K195-S209 WeakPolarHBondContact CE-OG 3.33Å; K195-E212 IonicContact NZ-OE2 3.92Å; K195-E212 PolarHBondContact NZ-OE2 2.67Å
196	N	95.7	Very high	93.2	Very high	95 Å²	95	57.4 Å²	57.4	51%	0.508	29%	0.293	S	S	.	.	S	Bend	trans	-86.5	-12.7	-176.2	75.1	15.4	0	0	0	112.8	D194 D198 E205	D194-N196 PolarHBondContact OD1-OD1 2.82Å; D194-N196 VanDerWaalsContact OD1-OD1 3.09Å; N196-D198 PolarHBondContact ND2-OD2 3.25Å; N196-D198 VanDerWaalsContact OD1-CB 3.23Å; N196-D198 WeakPolarHBondContact OD1-CB 3.14Å; N196-D198 PolarHBondContact OD1-N 2.85Å; N196-D198 PolarHBondContact OD1-OD1 2.86Å; N196-D198 PolarHBondContact OD1-OD2 3.05Å; N196-E205 PolarHBondContact N-OE1 2.87Å
197	K	94.8	Very high	93.4	Very high	181 Å²	181	58.1 Å²	58.1	79%	0.787	30%	0.297	S	S	*	.			trans	64.9	34.5	-179	-55.8	-177.8	179.9	178.5	0	114.3	D194 G199	D194-K197 WeakPolarHBondContact OD1-CA 3.48Å; D194-K197 PolarHBondContact OD1-N 3.3Å; D194-K197 WeakPolarHBondContact OD2-CA 2.98Å; K197-G199 VanDerWaalsContact C-N 3.31Å
198	D	97.1	Very high	93.4	Very high	86 Å²	86	58.7 Å²	58.7	46%	0.46	30%	0.296	S	S	.	.	S	Bend	trans	-84.3	-7.4	176.7	68.8	11.4	0	0	0	113.2	D194 N196 I200	D194-D198 PolarHBondContact OD1-N 2.99Å; N196-D198 PolarHBondContact ND2-OD2 3.25Å; N196-D198 VanDerWaalsContact OD1-CB 3.23Å; N196-D198 WeakPolarHBondContact OD1-CB 3.14Å; N196-D198 PolarHBondContact OD1-N 2.85Å; N196-D198 PolarHBondContact OD1-OD1 2.86Å; N196-D198 PolarHBondContact OD1-OD2 3.05Å; D198-I200 WeakPolarHBondContact OD1-CG1 3.06Å; D198-I200 PolarHBondContact OD1-N 3.33Å
199	G	95.5	Very high	93.5	Very high	27 Å²	27	55.4 Å²	55.4	28%	0.278	28%	0.277	S	S	.	.	S	Bend	trans	91.2	5.7	177.1	0	0	0	0	0	114.5	F190 D194 K197	F190-G199 VanDerWaalsContact CE1-O 3.24Å; F190-G199 WeakPolarHBondContact CE1-O 3.38Å; D194-G199 WeakPolarHBondContact OD2-CA 3.32Å; D194-G199 PolarHBondContact OD2-N 3.45Å; K197-G199 VanDerWaalsContact C-N 3.31Å
200	I	97.2	Very high	93.4	Very high	45 Å²	45	54.4 Å²	54.4	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	162.6	170.3	57.6	167.1	0	0	0	109.9	Y152 N154 D198	Y152-I200 HydrophobicContact CD1-CD1 4.14Å; Y152-I200 HydrophobicContact CD2-CB 3.9Å; Y152-I200 HydrophobicContact CD2-CD1 4.14Å; Y152-I200 HydrophobicContact CD2-CG2 3.6Å; Y152-I200 HydrophobicContact CE2-CG2 3.99Å; Y152-I200 HydrophobicContact CG-CB 4.22Å; Y152-I200 HydrophobicContact CG-CD1 3.82Å; Y152-I200 HydrophobicContact CG-CG2 4.34Å; N154-I200 HydrophobicContact CB-CG2 4.21Å; D198-I200 WeakPolarHBondContact OD1-CG1 3.06Å; D198-I200 PolarHBondContact OD1-N 3.33Å
201	V	96.7	Very high	93	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.4	173.8	175.1	0	0	0	0	108.3	Y152 I153 F189 F190 M193 D194 E205 F206	Y152-V201 CarbonylContact C-O 3.21Å; Y152-V201 WeakPolarHBondContact CA-O 3.27Å; I153-V201 HydrophobicContact CB-CB 4.37Å; I153-V201 PolarHBondContact N-O 2.91Å; I153-V201 PolarHBondContact O-N 3.4Å; F189-V201 HydrophobicContact CE1-CB 4.42Å; F189-V201 HydrophobicContact CE1-CG2 3.94Å; F190-V201 HydrophobicContact CD1-CG2 4.08Å; F190-V201 HydrophobicContact CE1-CG2 3.83Å; F190-V201 HydrophobicContact CZ-CG2 4.18Å; M193-V201 HydrophobicContact CB-CB 4.48Å; M193-V201 HydrophobicContact CB-CG1 3.86Å; M193-V201 HydrophobicContact CB-CG2 3.71Å; D194-V201 HydrophobicContact CB-CG2 3.97Å; V201-E205 HydrophobicContact CG1-CB 4.39Å; V201-F206 HydrophobicContact CG1-CB 4.05Å; V201-F206 HydrophobicContact CG1-CD2 4.46Å
202	T	97.4	Very high	92.6	Very high	44 Å²	44	58 Å²	58	27%	0.27	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	163.5	175.6	61.4	0	0	0	0	111.8	D204 E205 F206	T202-D204 PolarHBondContact O-N 2.72Å; T202-E205 PolarHBondContact N-OE2 2.82Å; T202-E205 PolarHBondContact O-N 3.46Å; T202-E205 WeakPolarHBondContact OG1-CG 3.27Å; T202-E205 PolarHBondContact OG1-N 3.31Å; T202-E205 PolarHBondContact OG1-OE2 2.69Å; T202-F206 WeakPolarHBondContact O-CB 3.49Å; T202-F206 PolarHBondContact O-N 3.04Å
203	L	95.5	Very high	92	Very high	54 Å²	54	56 Å²	56	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-39.5	175.2	177.3	62.4	0	0	0	111.9	R139 F142 F206 L207	R139-L203 HydrophobicContact CG-CD1 4.07Å; R139-L203 HydrophobicContact CG-CD2 4.29Å; F142-L203 HydrophobicContact CB-CD1 3.75Å; F142-L203 HydrophobicContact CD1-CB 4.26Å; F142-L203 HydrophobicContact CD1-CD1 3.86Å; F142-L203 HydrophobicContact CD2-CB 4.44Å; F142-L203 HydrophobicContact CD2-CD1 4.03Å; F142-L203 HydrophobicContact CE1-CB 4.05Å; F142-L203 HydrophobicContact CE1-CD1 4.5Å; F142-L203 HydrophobicContact CE2-CB 4.23Å; F142-L203 HydrophobicContact CG-CB 4.45Å; F142-L203 HydrophobicContact CG-CD1 3.59Å; F142-L203 HydrophobicContact CZ-CB 4.02Å; L203-F206 PolarHBondContact O-N 3.2Å; L203-L207 HydrophobicContact CD1-CD1 3.99Å; L203-L207 HydrophobicContact CD1-CG 3.97Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 VanDerWaalsContact O-CG 3.23Å; L203-L207 WeakPolarHBondContact O-CG 3.05Å; L203-L207 PolarHBondContact O-N 3.43Å
204	D	95.8	Very high	91.3	Very high	123 Å²	123	60.2 Å²	60.2	66%	0.658	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-46.3	-179.6	-71.9	-23	0	0	0	111.2	T202 F206 L207 E208	T202-D204 PolarHBondContact O-N 2.72Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 2.85Å; D204-L207 PolarHBondContact O-N 3.46Å; D204-E208 VanDerWaalsContact O-CB 3.3Å; D204-E208 WeakPolarHBondContact O-CB 3.38Å; D204-E208 PolarHBondContact O-N 3.22Å
205	E	95.2	Very high	90.1	Very high	13 Å²	13	64.2 Å²	64.2	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-39.7	175.4	-74.7	172.3	130.8	0	0	112.6	M193 K195 N196 V201 T202 S209	M193-E205 WeakPolarHBondContact O-CB 3.31Å; K195-E205 HydrophobicContact CB-CG 4.34Å; K195-E205 HydrophobicContact CG-CG 4.23Å; K195-E205 PolarHBondContact N-OE1 3.41Å; N196-E205 PolarHBondContact N-OE1 2.87Å; V201-E205 HydrophobicContact CG1-CB 4.39Å; T202-E205 PolarHBondContact N-OE2 2.82Å; T202-E205 PolarHBondContact O-N 3.46Å; T202-E205 WeakPolarHBondContact OG1-CG 3.27Å; T202-E205 PolarHBondContact OG1-N 3.31Å; T202-E205 PolarHBondContact OG1-OE2 2.69Å; E205-S209 WeakPolarHBondContact O-CB 3.5Å; E205-S209 PolarHBondContact O-N 3.45Å; E205-S209 PolarHBondContact O-OG 2.9Å
206	F	93	Very high	88.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-46.8	175.4	-174.2	-94.7	0	0	0	111.3	L138 T141 F142 I153 F189 M193 V201 T202 L203 D204 C210 L220	L138-F206 HydrophobicContact CB-CE1 4.32Å; L138-F206 HydrophobicContact CD2-CE1 4.18Å; T141-F206 HydrophobicContact CG2-CZ 4.28Å; F142-F206 HydrophobicContact CB-CD1 4.07Å; F142-F206 HydrophobicContact CB-CE1 4.16Å; F142-F206 HydrophobicContact CD2-CB 3.75Å; F142-F206 HydrophobicContact CD2-CD1 4.09Å; F142-F206 HydrophobicContact CD2-CD2 4.18Å; F142-F206 AromaticContact CD2-CG 3.75Å; F142-F206 HydrophobicContact CD2-CG 3.75Å; F142-F206 HydrophobicContact CE2-CB 4.17Å; I153-F206 HydrophobicContact CD1-CD2 4.47Å; F189-F206 HydrophobicContact CE2-CE2 4.21Å; F189-F206 HydrophobicContact CZ-CD2 4.17Å; F189-F206 HydrophobicContact CZ-CE2 4.12Å; M193-F206 HydrophobicContact CE-CD2 3.89Å; M193-F206 HydrophobicContact CE-CE2 3.84Å; M193-F206 HydrophobicContact SD-CD2 4.32Å; V201-F206 HydrophobicContact CG1-CB 4.05Å; V201-F206 HydrophobicContact CG1-CD2 4.46Å; T202-F206 WeakPolarHBondContact O-CB 3.49Å; T202-F206 PolarHBondContact O-N 3.04Å; L203-F206 PolarHBondContact O-N 3.2Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 2.85Å; F206-C210 WeakPolarHBondContact O-CB 3.25Å; F206-C210 PolarHBondContact O-N 3.28Å; F206-C210 VanDerWaalsContact O-N 3.1Å; F206-C210 PolarHBondContact O-SG 2.94Å; F206-L220 HydrophobicContact CE1-CD1 4.42Å; F206-L220 HydrophobicContact CE2-CD1 4.04Å; F206-L220 HydrophobicContact CZ-CD1 3.63Å; F206-L220 HydrophobicContact CZ-CD2 4.37Å
207	L	92.1	Very high	87.4	Confident	19 Å²	19	58 Å²	58	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-39.6	179.7	-71.3	176.4	0	0	0	112.7	L138 R139 L203 D204 Q211	L138-L207 HydrophobicContact CB-CD2 3.57Å; L138-L207 HydrophobicContact CD1-CD2 4Å; L138-L207 HydrophobicContact CG-CD2 4.45Å; R139-L207 HydrophobicContact CG-CD1 4.44Å; L203-L207 HydrophobicContact CD1-CD1 3.99Å; L203-L207 HydrophobicContact CD1-CG 3.97Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 VanDerWaalsContact O-CG 3.23Å; L203-L207 WeakPolarHBondContact O-CG 3.05Å; L203-L207 PolarHBondContact O-N 3.43Å; D204-L207 PolarHBondContact O-N 3.46Å; L207-Q211 VanDerWaalsContact O-CG 3.3Å; L207-Q211 WeakPolarHBondContact O-CG 3.37Å; L207-Q211 PolarHBondContact O-N 2.96Å; L207-Q211 PolarHBondContact O-NE2 3.37Å; L207-Q211 VanDerWaalsContact O-NE2 3.1Å
208	E	91.4	Very high	85.9	Confident	96 Å²	96	56 Å²	56	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-50.4	176	-176.8	175.6	-167.3	0	0	110.2	D204 C210 Q211 E212	D204-E208 VanDerWaalsContact O-CB 3.3Å; D204-E208 WeakPolarHBondContact O-CB 3.38Å; D204-E208 PolarHBondContact O-N 3.22Å; E208-C210 VanDerWaalsContact C-N 3.31Å; E208-C210 PolarHBondContact O-N 3.31Å; E208-Q211 WeakPolarHBondContact O-CB 3.19Å; E208-Q211 PolarHBondContact O-N 3.48Å; E208-E212 WeakPolarHBondContact O-CG 3.46Å; E208-E212 PolarHBondContact O-N 2.83Å; E208-E212 VanDerWaalsContact O-N 3.11Å
209	S	88.8	Confident	84.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-37.3	-179.9	-60.1	0	0	0	0	113.3	K192 M193 K195 E205 Q211 E212 D213	K192-S209 PolarHBondContact O-OG 2.83Å; M193-S209 WeakPolarHBondContact SD-CB 3.47Å; K195-S209 WeakPolarHBondContact CE-OG 3.33Å; E205-S209 WeakPolarHBondContact O-CB 3.5Å; E205-S209 PolarHBondContact O-N 3.45Å; E205-S209 PolarHBondContact O-OG 2.9Å; S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.34Å; S209-E212 PolarHBondContact O-N 2.6Å; S209-D213 PolarHBondContact O-N 3.32Å
210	C	85.7	Confident	82.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-70.2	-22.1	176.4	-69.6	0	0	0	0	113.5	L138 F206 E208 L220	L138-C210 HydrophobicContact CD1-CB 3.68Å; L138-C210 HydrophobicContact CD2-CB 3.96Å; L138-C210 HydrophobicContact CG-CB 4.48Å; F206-C210 WeakPolarHBondContact O-CB 3.25Å; F206-C210 PolarHBondContact O-N 3.28Å; F206-C210 VanDerWaalsContact O-N 3.1Å; F206-C210 PolarHBondContact O-SG 2.94Å; E208-C210 VanDerWaalsContact C-N 3.31Å; E208-C210 PolarHBondContact O-N 3.31Å; C210-L220 WeakPolarHBondContact SG-CD1 3.41Å
211	Q	83.1	Confident	80.9	Confident	122 Å²	122	54.5 Å²	54.5	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-84.4	-29.2	175.2	-71.9	167.9	47.5	0	0	112.2	H135 L207 E208 S209	H135-Q211 PolarHBondContact CE1-NE2 3.2Å; L207-Q211 VanDerWaalsContact O-CG 3.3Å; L207-Q211 WeakPolarHBondContact O-CG 3.37Å; L207-Q211 PolarHBondContact O-N 2.96Å; L207-Q211 PolarHBondContact O-NE2 3.37Å; L207-Q211 VanDerWaalsContact O-NE2 3.1Å; E208-Q211 WeakPolarHBondContact O-CB 3.19Å; E208-Q211 PolarHBondContact O-N 3.48Å; S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.34Å
212	E	83.5	Confident	78.6	Confident	125 Å²	125	60.2 Å²	60.2	58%	0.584	30%	0.302	S	S	*	.	H	α-helix	trans	-82.3	-33.9	-178.5	-68.6	-176.7	148.8	0	0	114	K195 E208 S209	K195-E212 IonicContact NZ-OE2 3.92Å; K195-E212 PolarHBondContact NZ-OE2 2.67Å; E208-E212 WeakPolarHBondContact O-CG 3.46Å; E208-E212 PolarHBondContact O-N 2.83Å; E208-E212 VanDerWaalsContact O-N 3.11Å; S209-E212 PolarHBondContact O-N 2.6Å
213	D	76.3	Confident	76.4	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.214	30%	0.3	C	S	.	.			trans	-123.9	100.6	-175	-172.4	-7.7	0	0	0	112	K192 S209 N215 I216 M217	K192-D213 IonicContact NZ-OD2 3.73Å; K192-D213 PolarHBondContact NZ-OD2 2.97Å; S209-D213 PolarHBondContact O-N 3.32Å; D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 WeakPolarHBondContact OD1-CA 3.32Å; D213-N215 VanDerWaalsContact OD1-CB 3.23Å; D213-N215 WeakPolarHBondContact OD1-CB 3.22Å; D213-N215 PolarHBondContact OD1-N 2.75Å; D213-N215 PolarHBondContact OD1-ND2 3.34Å; D213-N215 VanDerWaalsContact OD1-ND2 3.11Å; D213-I216 HydrophobicContact CB-CB 4.22Å; D213-I216 HydrophobicContact CB-CD1 3.66Å; D213-I216 HydrophobicContact CB-CG1 3.8Å; D213-I216 WeakPolarHBondContact O-CB 3.37Å; D213-I216 PolarHBondContact O-N 2.9Å; D213-I216 WeakPolarHBondContact OD2-CG1 3.35Å; D213-M217 PolarHBondContact O-N 2.73Å
214	D	74.5	Confident	74.4	Confident	91 Å²	91	59.5 Å²	59.5	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-52.6	-28.7	173.9	-81.7	-24.4	0	0	0	113.2	R218	D214-R218 WeakPolarHBondContact O-CB 3.38Å; D214-R218 VanDerWaalsContact O-CG 3.24Å; D214-R218 WeakPolarHBondContact O-CG 3.4Å; D214-R218 PolarHBondContact O-N 3.44Å
215	N	70.3	Confident	72	Confident	98 Å²	98	59.6 Å²	59.6	52%	0.524	29%	0.294	S	S	.	.	H	α-helix	trans	-74	-34.1	179	-56.2	-65.9	0	0	0	111.9	D213 R218 S219	D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 WeakPolarHBondContact OD1-CA 3.32Å; D213-N215 VanDerWaalsContact OD1-CB 3.23Å; D213-N215 WeakPolarHBondContact OD1-CB 3.22Å; D213-N215 PolarHBondContact OD1-N 2.75Å; D213-N215 PolarHBondContact OD1-ND2 3.34Å; D213-N215 VanDerWaalsContact OD1-ND2 3.11Å; N215-R218 PolarHBondContact O-N 2.89Å; N215-S219 WeakPolarHBondContact O-CB 3.5Å; N215-S219 PolarHBondContact O-N 2.89Å; N215-S219 PolarHBondContact O-OG 2.88Å
216	I	64.4	Low	69.7	Low	11 Å²	11	60.5 Å²	60.5	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-47.1	172.3	-66.4	175.5	0	0	0	109.2	K192 M193 D213 R218 S219 L220	K192-I216 HydrophobicContact CB-CD1 3.8Å; K192-I216 HydrophobicContact CD-CD1 3.79Å; K192-I216 HydrophobicContact CD-CG1 3.89Å; K192-I216 HydrophobicContact CG-CD1 4.26Å; M193-I216 HydrophobicContact CE-CG2 3.28Å; M193-I216 HydrophobicContact SD-CG2 4.22Å; D213-I216 HydrophobicContact CB-CB 4.22Å; D213-I216 HydrophobicContact CB-CD1 3.66Å; D213-I216 HydrophobicContact CB-CG1 3.8Å; D213-I216 WeakPolarHBondContact O-CB 3.37Å; D213-I216 PolarHBondContact O-N 2.9Å; D213-I216 WeakPolarHBondContact OD2-CG1 3.35Å; I216-R218 VanDerWaalsContact C-N 3.31Å; I216-R218 PolarHBondContact O-N 3.43Å; I216-S219 WeakPolarHBondContact CA-OG 3.4Å; I216-S219 PolarHBondContact O-N 3Å; I216-S219 PolarHBondContact O-OG 2.86Å; I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.45Å; I216-L220 WeakPolarHBondContact O-CG 3.29Å; I216-L220 PolarHBondContact O-N 3.28Å
217	M	66.8	Low	67.2	Low	41 Å²	41	65.3 Å²	65.3	20%	0.202	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-44.5	177.7	-172.9	179.3	61.3	0	0	110.9	V134 D213 L220 Q221	V134-M217 HydrophobicContact CG1-SD 4.1Å; D213-M217 PolarHBondContact O-N 2.73Å; M217-L220 PolarHBondContact O-N 3.2Å; M217-Q221 WeakPolarHBondContact O-CB 3.46Å; M217-Q221 WeakPolarHBondContact O-CG 3.32Å; M217-Q221 PolarHBondContact O-N 2.89Å
218	R	63.7	Low	66	Low	137 Å²	137	67.6 Å²	67.6	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-40	175.8	-75.2	176.3	-166.8	150.5	7.5	112.8	D214 N215 I216 Q221 L222	D214-R218 WeakPolarHBondContact O-CB 3.38Å; D214-R218 VanDerWaalsContact O-CG 3.24Å; D214-R218 WeakPolarHBondContact O-CG 3.4Å; D214-R218 PolarHBondContact O-N 3.44Å; N215-R218 PolarHBondContact O-N 2.89Å; I216-R218 VanDerWaalsContact C-N 3.31Å; I216-R218 PolarHBondContact O-N 3.43Å; R218-Q221 PolarHBondContact O-N 3.33Å; R218-L222 WeakPolarHBondContact O-CG 3.35Å; R218-L222 PolarHBondContact O-N 3.1Å
219	S	59.4	Low	64.6	Low	50 Å²	50	66.1 Å²	66.1	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-42	178.5	64.4	0	0	0	0	111.5	N215 I216 Q221 L222 F223	N215-S219 WeakPolarHBondContact O-CB 3.5Å; N215-S219 PolarHBondContact O-N 2.89Å; N215-S219 PolarHBondContact O-OG 2.88Å; I216-S219 WeakPolarHBondContact CA-OG 3.4Å; I216-S219 PolarHBondContact O-N 3Å; I216-S219 PolarHBondContact O-OG 2.86Å; S219-Q221 VanDerWaalsContact C-N 3.34Å; S219-L222 WeakPolarHBondContact O-CB 3.2Å; S219-L222 PolarHBondContact O-N 2.95Å; S219-F223 WeakPolarHBondContact O-CD2 3.47Å; S219-F223 WeakPolarHBondContact O-CE2 3.43Å; S219-F223 PolarHBondContact O-N 3.49Å
220	L	64.3	Low	63.3	Low	7 Å²	7	69.7 Å²	69.7	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-40.6	173.6	-71.2	172.1	0	0	0	111.5	Y145 M193 F206 C210 I216 M217 L222 F223 Q224	Y145-L220 HydrophobicContact CE2-CD2 3.7Å; M193-L220 HydrophobicContact CE-CD1 4Å; F206-L220 HydrophobicContact CE1-CD1 4.42Å; F206-L220 HydrophobicContact CE2-CD1 4.04Å; F206-L220 HydrophobicContact CZ-CD1 3.63Å; F206-L220 HydrophobicContact CZ-CD2 4.37Å; C210-L220 WeakPolarHBondContact SG-CD1 3.41Å; I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.45Å; I216-L220 WeakPolarHBondContact O-CG 3.29Å; I216-L220 PolarHBondContact O-N 3.28Å; M217-L220 PolarHBondContact O-N 3.2Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.32Å; L220-F223 PolarHBondContact O-N 3.43Å; L220-F223 VanDerWaalsContact O-N 3.16Å; L220-Q224 PolarHBondContact O-N 3.16Å
221	Q	60.7	Low	62	Low	71 Å²	71	73.7 Å²	73.7	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-35.1	175.2	-77.3	174.4	-2.6	0	0	112.9	M217 R218 S219 F223 Q224 N225	M217-Q221 WeakPolarHBondContact O-CB 3.46Å; M217-Q221 WeakPolarHBondContact O-CG 3.32Å; M217-Q221 PolarHBondContact O-N 2.89Å; R218-Q221 PolarHBondContact O-N 3.33Å; S219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-F223 VanDerWaalsContact C-N 3.26Å; Q221-F223 PolarHBondContact O-N 2.86Å; Q221-Q224 WeakPolarHBondContact O-CB 3.46Å; Q221-Q224 PolarHBondContact O-N 2.77Å; Q221-Q224 VanDerWaalsContact O-N 3.13Å; Q221-N225 PolarHBondContact O-N 3.1Å; Q221-N225 PolarHBondContact O-ND2 3.48Å
222	L	48.2	Very low	60.6	Low	119 Å²	119	70.7 Å²	70.7	62%	0.623	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-38.3	173.3	-77.6	165.6	0	0	0	111.4	R218 S219 L220	R218-L222 WeakPolarHBondContact O-CG 3.35Å; R218-L222 PolarHBondContact O-N 3.1Å; S219-L222 WeakPolarHBondContact O-CB 3.2Å; S219-L222 PolarHBondContact O-N 2.95Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.32Å
223	F	51.2	Low	59.1	Low	53 Å²	53	67.1 Å²	67.1	23%	0.232	34%	0.338	C	S	.	.	H	α-helix	trans	-73.4	-32.1	173.1	-61.4	-65.5	0	0	0	112.5	I165 M169 S219 L220 Q221 V226	I165-F223 HydrophobicContact CD1-CD1 3.84Å; I165-F223 HydrophobicContact CD1-CE1 4.2Å; I165-F223 HydrophobicContact CD1-CG 4.28Å; I165-F223 HydrophobicContact CG2-CD1 3.81Å; I165-F223 HydrophobicContact CG2-CE1 3.65Å; M169-F223 HydrophobicContact CE-CD1 3.9Å; M169-F223 HydrophobicContact CE-CE1 3.82Å; S219-F223 WeakPolarHBondContact O-CD2 3.47Å; S219-F223 WeakPolarHBondContact O-CE2 3.43Å; S219-F223 PolarHBondContact O-N 3.49Å; L220-F223 PolarHBondContact O-N 3.43Å; L220-F223 VanDerWaalsContact O-N 3.16Å; Q221-F223 VanDerWaalsContact C-N 3.26Å; Q221-F223 PolarHBondContact O-N 2.86Å; F223-V226 WeakPolarHBondContact O-CB 3.23Å; F223-V226 PolarHBondContact O-N 3.2Å
224	Q	53.2	Low	57.9	Low	30 Å²	30	69 Å²	69	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-35.5	172.4	-71.5	177.2	-5.3	0	0	112.9	T141 L220 Q221 V226 M227	T141-Q224 PolarHBondContact OG1-NE2 2.72Å; L220-Q224 PolarHBondContact O-N 3.16Å; Q221-Q224 WeakPolarHBondContact O-CB 3.46Å; Q221-Q224 PolarHBondContact O-N 2.77Å; Q221-Q224 VanDerWaalsContact O-N 3.13Å; Q224-V226 PolarHBondContact O-N 3.05Å; Q224-V226 VanDerWaalsContact O-N 3.12Å; Q224-M227 HydrophobicContact CB-CE 3.81Å; Q224-M227 HydrophobicContact CG-CE 3.97Å; Q224-M227 VanDerWaalsContact O-CB 3.32Å; Q224-M227 WeakPolarHBondContact O-CB 3.5Å; Q224-M227 WeakPolarHBondContact O-CE 3.32Å; Q224-M227 PolarHBondContact O-N 2.95Å
225	N	45.7	Very low	56.6	Low	126 Å²	126	67.3 Å²	67.3	67%	0.674	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	0	178.7	-66.3	-31.1	0	0	0	113.5	Q221 M227	Q221-N225 PolarHBondContact O-N 3.1Å; Q221-N225 PolarHBondContact O-ND2 3.48Å; N225-M227 VanDerWaalsContact C-N 3.25Å
226	V	46.2	Very low	55.5	Low	31 Å²	31	64.8 Å²	64.8	19%	0.188	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.6	168.4	-168.1	0	0	0	0	111.1	Y89 F93 M168 M169 F223 Q224	Y89-V226 PolarHBondContact OH-O 3.5Å; F93-V226 HydrophobicContact CE1-CG1 3.68Å; F93-V226 HydrophobicContact CE2-CG1 4.42Å; F93-V226 HydrophobicContact CZ-CG1 3.37Å; F93-V226 WeakPolarHBondContact CZ-O 3.38Å; M168-V226 HydrophobicContact CE-CB 4.44Å; M168-V226 HydrophobicContact CE-CG1 3.53Å; M168-V226 HydrophobicContact SD-CG1 3.92Å; M169-V226 HydrophobicContact CE-CG2 4.43Å; F223-V226 WeakPolarHBondContact O-CB 3.23Å; F223-V226 PolarHBondContact O-N 3.2Å; Q224-V226 PolarHBondContact O-N 3.05Å; Q224-V226 VanDerWaalsContact O-N 3.12Å
227	M	41.5	Very low	54.6	Low	101 Å²	101	69.6 Å²	69.6	50%	0.498	35%	0.345	S	S	.	.			trans	-86.3	0	167	-65.5	-177.7	-81.4	0	0	112.5	L105 L129 W140 Q224 N225	L105-M227 HydrophobicContact CD1-SD 4.13Å; L129-M227 HydrophobicContact CD1-CE 4.48Å; L129-M227 HydrophobicContact CD1-SD 3.82Å; L129-M227 HydrophobicContact CD2-CE 3.63Å; L129-M227 HydrophobicContact CD2-SD 4.02Å; W140-M227 HydrophobicContact CH2-CE 4.31Å; W140-M227 HydrophobicContact CH2-SD 3.56Å; W140-M227 VanDerWaalsContact CH2-SD 3.56Å; W140-M227 HydrophobicContact CZ3-CE 3.81Å; W140-M227 HydrophobicContact CZ3-SD 3.69Å; Q224-M227 HydrophobicContact CB-CE 3.81Å; Q224-M227 HydrophobicContact CG-CE 3.97Å; Q224-M227 VanDerWaalsContact O-CB 3.32Å; Q224-M227 WeakPolarHBondContact O-CB 3.5Å; Q224-M227 WeakPolarHBondContact O-CE 3.32Å; Q224-M227 PolarHBondContact O-N 2.95Å; N225-M227 VanDerWaalsContact C-N 3.25Å

Retrieved 227 of 227 residues in 100.3 ms (Link to these results)

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