A0A061ACH4_CAEEL Loading...

Phosphoserine phosphatase

AlphaFold DB , UniProt , Accession A0A061ACH4, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 263 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	44.7	Very low	38.2	Very low	241 Å²	241	151.3 Å²	151.3	100%	1.187	87%	0.871	S	S	*	*				0	83	0	-75.2	-180	171.8	0	0	109.1
2	I	31.6	Very low	38.8	Very low	174 Å²	174	146.6 Å²	146.6	89%	0.892	86%	0.864	S	S	*	*			trans	-142.6	138	174.7	-59.5	-176.7	0	0	0	109.1
3	R	34.7	Very low	39	Very low	244 Å²	244	146.9 Å²	146.9	92%	0.921	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-73.7	145.1	-152.1	-69.1	168	159.1	179	-7.7	115.5
4	V	36.3	Very low	38.9	Very low	140 Å²	140	144.6 Å²	144.6	85%	0.848	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-79.1	130.4	161.6	176.8	0	0	0	0	108.7
5	A	39.6	Very low	38.9	Very low	97 Å²	97	151.2 Å²	151.2	80%	0.802	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-90.9	133.9	172.1	0	0	0	0	0	110.3
6	L	37.3	Very low	39.2	Very low	155 Å²	155	148.3 Å²	148.3	81%	0.812	85%	0.846	S	S	*	*			trans	-107.2	144.9	169.4	-85.5	161.1	0	0	0	109.6
7	P	39.3	Very low	40	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	84%	0.843	S	S	*	*			trans	-81.5	138.6	179.2	30.2	-26.4	0	0	0	111.3
8	T	37.6	Very low	40.3	Very low	146 Å²	146	146.4 Å²	146.4	90%	0.896	84%	0.838	S	S	*	*			trans	-91.2	112.5	179.1	-20	0	0	0	0	109.3
9	T	40.8	Very low	40.7	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	82%	0.818	S	S	*	*			trans	-88.1	115.2	168.2	48.8	0	0	0	0	109.2	S11	T9-S11 PolarHBondContact O-N 3.43Å
10	A	40.3	Very low	41	Very low	107 Å²	107	138.1 Å²	138.1	88%	0.884	80%	0.795	S	S	*	*			trans	-78.2	112.5	171.7	0	0	0	0	0	109.7
11	S	37.6	Very low	41.9	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-85.7	118.7	168.4	-173.4	0	0	0	0	108.8	T9 I13	T9-S11 PolarHBondContact O-N 3.43Å; S11-I13 PolarHBondContact O-N 3.43Å
12	A	45.4	Very low	42.3	Very low	95 Å²	95	127.4 Å²	127.4	79%	0.785	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.8	122.2	170.9	0	0	0	0	0	109.5
13	I	41.2	Very low	43.7	Very low	151 Å²	151	123.9 Å²	123.9	77%	0.774	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-84.3	128.1	172.6	-57.9	171.9	0	0	0	107.2	S11 R15	S11-I13 PolarHBondContact O-N 3.43Å; I13-R15 PolarHBondContact O-N 3.37Å
14	P	38.7	Very low	44.9	Very low	114 Å²	114	115.1 Å²	115.1	74%	0.74	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.9	128.9	174.9	27.7	-31.2	0	0	0	109.1	S16	P14-S16 PolarHBondContact O-N 3.31Å
15	R	38.7	Very low	46.1	Very low	244 Å²	244	113 Å²	113	92%	0.921	69%	0.694	S	S	*	*			trans	-64.3	99.8	171.8	-80.6	-179.5	173.7	176.5	-2.4	108.5	I13 I17	I13-R15 PolarHBondContact O-N 3.37Å; R15-I17 PolarHBondContact O-N 2.96Å
16	S	43.4	Very low	47.6	Very low	105 Å²	105	111.7 Å²	111.7	73%	0.734	68%	0.679	S	S	*	*			trans	-65.6	118	164.2	56	0	0	0	0	108.4	P14 S18	P14-S16 PolarHBondContact O-N 3.31Å; S16-S18 VanDerWaalsContact C-N 3.34Å; S16-S18 PolarHBondContact O-N 3.01Å
17	I	53.5	Low	49.3	Very low	155 Å²	155	110.5 Å²	110.5	80%	0.795	67%	0.667	S	S	*	*			trans	-70.5	94.9	168.3	-59.8	170.7	0	0	0	106	R15 T19	R15-I17 PolarHBondContact O-N 2.96Å; I17-T19 HydrophobicContact CG2-CG2 4.23Å; I17-T19 PolarHBondContact O-N 3.29Å
18	S	44.8	Very low	51.4	Low	108 Å²	108	110 Å²	110	76%	0.755	66%	0.658	S	S	*	*			trans	-84.6	92.5	172.1	69	0	0	0	0	108.5	S16	S16-S18 VanDerWaalsContact C-N 3.34Å; S16-S18 PolarHBondContact O-N 3.01Å
19	T	46.9	Very low	53.8	Low	72 Å²	72	106.9 Å²	106.9	44%	0.442	63%	0.633	S	S	.	*			trans	-70	131.3	164.1	47.2	0	0	0	0	108.8	I17	I17-T19 HydrophobicContact CG2-CG2 4.23Å; I17-T19 PolarHBondContact O-N 3.29Å
20	S	48.1	Very low	56.4	Low	53 Å²	53	103.3 Å²	103.3	37%	0.371	61%	0.607	S	S	.	*			trans	-69.1	150.8	-178.7	64.1	0	0	0	0	111.1	G22 E23 T24	S20-G22 PolarHBondContact O-N 3.24Å; S20-G22 VanDerWaalsContact O-N 3.08Å; S20-E23 PolarHBondContact N-OE2 3.21Å; S20-E23 PolarHBondContact O-N 3.26Å; S20-E23 VanDerWaalsContact OG-CD 3.32Å; S20-E23 WeakPolarHBondContact OG-CG 3.32Å; S20-E23 PolarHBondContact OG-OE2 3.33Å; S20-T24 PolarHBondContact O-N 2.64Å; S20-T24 PolarHBondContact O-OG1 2.68Å
21	P	58.5	Low	59	Low	106 Å²	106	101.3 Å²	101.3	69%	0.688	58%	0.579	S	S	*	*	H	α-helix	trans	-54.9	-30.8	-179.5	-26.5	34	0	0	0	114.2	I25	P21-I25 WeakPolarHBondContact O-CD1 3.48Å; P21-I25 WeakPolarHBondContact O-CG1 2.96Å; P21-I25 PolarHBondContact O-N 2.78Å
22	G	53.3	Low	61.7	Low	49 Å²	49	100 Å²	100	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-71	-36	176.2	0	0	0	0	0	113.9	S20 S26	S20-G22 PolarHBondContact O-N 3.24Å; S20-G22 VanDerWaalsContact O-N 3.08Å; G22-S26 WeakPolarHBondContact O-CB 3.14Å; G22-S26 PolarHBondContact O-N 2.86Å; G22-S26 VanDerWaalsContact O-N 3.11Å
23	E	61	Low	64.2	Low	101 Å²	101	95.8 Å²	95.8	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-68.5	-38.2	176.2	-75.2	167.9	140.4	0	0	111.7	S20 S26 K27	S20-E23 PolarHBondContact N-OE2 3.21Å; S20-E23 PolarHBondContact O-N 3.26Å; S20-E23 VanDerWaalsContact OG-CD 3.32Å; S20-E23 WeakPolarHBondContact OG-CG 3.32Å; S20-E23 PolarHBondContact OG-OE2 3.33Å; E23-S26 PolarHBondContact O-N 3.33Å; E23-K27 WeakPolarHBondContact O-CB 3.47Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.02Å
24	T	61.2	Low	66.9	Low	60 Å²	60	89.9 Å²	89.9	37%	0.368	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-41.7	177.8	-50.4	0	0	0	0	111.8	S20 K27 N28	S20-T24 PolarHBondContact O-N 2.64Å; S20-T24 PolarHBondContact O-OG1 2.68Å; T24-K27 PolarHBondContact O-N 3.2Å; T24-N28 VanDerWaalsContact O-CG 3.27Å; T24-N28 PolarHBondContact O-N 2.69Å; T24-N28 VanDerWaalsContact O-N 3.07Å; T24-N28 PolarHBondContact O-OD1 2.74Å
25	I	61.7	Low	69.7	Low	96 Å²	96	89.9 Å²	89.9	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-43.1	177.1	-67.3	166.5	0	0	0	111.1	P21 K27 N28 H29	P21-I25 WeakPolarHBondContact O-CD1 3.48Å; P21-I25 WeakPolarHBondContact O-CG1 2.96Å; P21-I25 PolarHBondContact O-N 2.78Å; I25-K27 PolarHBondContact O-N 2.99Å; I25-N28 PolarHBondContact O-N 3.49Å; I25-H29 VanDerWaalsContact CG2-CE1 3.49Å; I25-H29 WeakPolarHBondContact CG2-CE1 3.49Å; I25-H29 PolarHBondContact O-N 3.47Å; I25-H29 VanDerWaalsContact O-N 3.13Å
26	S	69.4	Low	72.5	Confident	68 Å²	68	79.9 Å²	79.9	48%	0.476	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.8	-168.1	0	0	0	0	112.1	G22 E23 N28 H29 E30	G22-S26 WeakPolarHBondContact O-CB 3.14Å; G22-S26 PolarHBondContact O-N 2.86Å; G22-S26 VanDerWaalsContact O-N 3.11Å; E23-S26 PolarHBondContact O-N 3.33Å; S26-N28 VanDerWaalsContact C-N 3.35Å; S26-N28 PolarHBondContact O-N 3.04Å; S26-H29 PolarHBondContact O-N 2.94Å; S26-E30 PolarHBondContact O-N 3.46Å; S26-E30 VanDerWaalsContact O-N 3.08Å
27	K	74.1	Confident	75.1	Confident	130 Å²	130	75 Å²	75	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-63	-39.9	176.3	-75.3	179.8	178.3	-174.5	0	112.2	E23 T24 I25 H29 E30 E31	E23-K27 WeakPolarHBondContact O-CB 3.47Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.02Å; T24-K27 PolarHBondContact O-N 3.2Å; I25-K27 PolarHBondContact O-N 2.99Å; K27-H29 VanDerWaalsContact C-N 3.33Å; K27-H29 PolarHBondContact O-N 3.08Å; K27-E30 PolarHBondContact O-N 3.28Å; K27-E31 PolarHBondContact O-N 3.5Å
28	N	82.5	Confident	77.2	Confident	105 Å²	105	68.8 Å²	68.8	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-64	-37.5	177.5	-72.6	-6.8	0	0	0	112.7	T24 I25 S26 E32	T24-N28 VanDerWaalsContact O-CG 3.27Å; T24-N28 PolarHBondContact O-N 2.69Å; T24-N28 VanDerWaalsContact O-N 3.07Å; T24-N28 PolarHBondContact O-OD1 2.74Å; I25-N28 PolarHBondContact O-N 3.49Å; S26-N28 VanDerWaalsContact C-N 3.35Å; S26-N28 PolarHBondContact O-N 3.04Å; N28-E32 PolarHBondContact O-N 3.43Å; N28-E32 VanDerWaalsContact O-N 3.16Å
29	H	89.3	Confident	79.7	Confident	80 Å²	80	68.8 Å²	68.8	37%	0.37	36%	0.364	S	S	.	.	H	α-helix	trans	-70.4	-37.2	175.9	-66.9	158.2	0	0	0	112.8	I25 S26 K27 E32 V33 K240	I25-H29 VanDerWaalsContact CG2-CE1 3.49Å; I25-H29 WeakPolarHBondContact CG2-CE1 3.49Å; I25-H29 PolarHBondContact O-N 3.47Å; I25-H29 VanDerWaalsContact O-N 3.13Å; S26-H29 PolarHBondContact O-N 2.94Å; K27-H29 VanDerWaalsContact C-N 3.33Å; K27-H29 PolarHBondContact O-N 3.08Å; H29-E32 PolarHBondContact O-N 3.07Å; H29-V33 WeakPolarHBondContact O-CG2 3.35Å; H29-V33 PolarHBondContact O-N 3.49Å; H29-K240 HydrophobicContact CB-CB 4.28Å; H29-K240 HydrophobicContact CB-CD 4.05Å; H29-K240 HydrophobicContact CB-CG 4.03Å
30	E	94.4	Very high	82.1	Confident	61 Å²	61	65.7 Å²	65.7	29%	0.285	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-47.3	175.7	-173.6	-179.7	129.9	0	0	111.2	S26 K27 E32 V33 K34 W241	S26-E30 PolarHBondContact O-N 3.46Å; S26-E30 VanDerWaalsContact O-N 3.08Å; K27-E30 PolarHBondContact O-N 3.28Å; E30-E32 VanDerWaalsContact C-N 3.29Å; E30-E32 PolarHBondContact O-N 3.31Å; E30-V33 PolarHBondContact O-N 3.3Å; E30-K34 PolarHBondContact O-N 3.05Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.68Å; E30-K34 PolarHBondContact OE1-NZ 3.28Å; E30-W241 HydrophobicContact CG-CB 4.14Å; E30-W241 HydrophobicContact CG-CG 3.91Å
31	E	94.8	Very high	84.5	Confident	64 Å²	64	66.1 Å²	66.1	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-31.5	179	-70.2	-54	134.7	0	0	112.9	K27 K34 R35	K27-E31 PolarHBondContact O-N 3.5Å; E31-K34 PolarHBondContact O-N 2.73Å; E31-K34 WeakPolarHBondContact OE1-CD 3.29Å; E31-K34 IonicContact OE1-NZ 2.78Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; E31-R35 WeakPolarHBondContact O-CG 3.19Å; E31-R35 PolarHBondContact O-N 3.12Å
32	E	94.9	Very high	86.4	Confident	82 Å²	82	61 Å²	61	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-47.4	169.4	-175.7	-173	-156.4	0	0	111.4	N28 H29 E30 R35 V36 K240	N28-E32 PolarHBondContact O-N 3.43Å; N28-E32 VanDerWaalsContact O-N 3.16Å; H29-E32 PolarHBondContact O-N 3.07Å; E30-E32 VanDerWaalsContact C-N 3.29Å; E30-E32 PolarHBondContact O-N 3.31Å; E32-R35 PolarHBondContact O-N 3.06Å; E32-V36 WeakPolarHBondContact O-CG2 3.47Å; E32-V36 PolarHBondContact O-N 2.9Å; E32-V36 VanDerWaalsContact O-N 3.15Å; E32-K240 IonicContact OE2-NZ 3.14Å; E32-K240 PolarHBondContact OE2-NZ 3.44Å
33	V	97.5	Very high	88.6	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-40.9	178.2	178.6	0	0	0	0	111.6	H29 E30 R35 V36 W37 A222 I224 K240 W241	H29-V33 WeakPolarHBondContact O-CG2 3.35Å; H29-V33 PolarHBondContact O-N 3.49Å; E30-V33 PolarHBondContact O-N 3.3Å; V33-R35 VanDerWaalsContact C-N 3.35Å; V33-R35 PolarHBondContact O-N 3.28Å; V33-V36 PolarHBondContact O-N 3.45Å; V33-W37 WeakPolarHBondContact O-CB 3.33Å; V33-W37 PolarHBondContact O-N 3.49Å; V33-A222 HydrophobicContact CG1-CB 3.93Å; V33-I224 HydrophobicContact CG1-CG1 3.88Å; V33-K240 HydrophobicContact CG2-CB 3.59Å; V33-K240 HydrophobicContact CG2-CD 4.06Å; V33-W241 HydrophobicContact CB-CB 4.02Å; V33-W241 HydrophobicContact CG1-CB 3.8Å; V33-W241 HydrophobicContact CG1-CE3 3.84Å
34	K	97.8	Very high	90.4	Very high	28 Å²	28	53.9 Å²	53.9	12%	0.122	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-41.7	175.5	-73.7	174.5	-179.2	164	0	112.5	E30 E31 V36 W37 R38 W241 D252	E30-K34 PolarHBondContact O-N 3.05Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.68Å; E30-K34 PolarHBondContact OE1-NZ 3.28Å; E31-K34 PolarHBondContact O-N 2.73Å; E31-K34 WeakPolarHBondContact OE1-CD 3.29Å; E31-K34 IonicContact OE1-NZ 2.78Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.89Å; K34-W37 WeakPolarHBondContact O-CB 3.42Å; K34-W37 PolarHBondContact O-N 2.8Å; K34-R38 WeakPolarHBondContact O-CG 3.47Å; K34-R38 PolarHBondContact O-N 2.86Å; K34-W241 HydrophobicContact CD-CZ2 4.37Å; K34-W241 HydrophobicContact CG-CD2 4.06Å; K34-W241 HydrophobicContact CG-CE3 4Å; K34-W241 HydrophobicContact CG-CH2 3.75Å; K34-W241 HydrophobicContact CG-CZ2 3.82Å; K34-W241 HydrophobicContact CG-CZ3 3.85Å; K34-D252 WeakPolarHBondContact CD-OD1 3.33Å
35	R	96.8	Very high	92.2	Very high	113 Å²	113	51 Å²	51	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-43.3	173.5	-74.4	-170.6	-57.1	-89.2	1.3	112.2	E31 E32 V33 K39	E31-R35 WeakPolarHBondContact O-CG 3.19Å; E31-R35 PolarHBondContact O-N 3.12Å; E32-R35 PolarHBondContact O-N 3.06Å; V33-R35 VanDerWaalsContact C-N 3.35Å; V33-R35 PolarHBondContact O-N 3.28Å; R35-K39 PolarHBondContact O-N 2.98Å
36	V	97.7	Very high	94	Very high	34 Å²	34	47 Å²	47	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-42.7	176	177.6	0	0	0	0	110.7	E32 V33 K34 K39 A40 T203 V205 D221 A222	E32-V36 WeakPolarHBondContact O-CG2 3.47Å; E32-V36 PolarHBondContact O-N 2.9Å; E32-V36 VanDerWaalsContact O-N 3.15Å; V33-V36 PolarHBondContact O-N 3.45Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.89Å; V36-K39 CarbonylContact O-C 3.59Å; V36-K39 PolarHBondContact O-N 3.26Å; V36-A40 PolarHBondContact O-N 2.75Å; V36-A40 VanDerWaalsContact O-N 3.15Å; V36-T203 HydrophobicContact CG1-CG2 3.53Å; V36-V205 HydrophobicContact CG1-CG2 4.01Å; V36-D221 HydrophobicContact CG1-CB 3.88Å; V36-A222 HydrophobicContact CB-CB 4.1Å; V36-A222 HydrophobicContact CG1-CB 3.66Å
37	W	98.3	Very high	95.4	Very high	2 Å²	2	44 Å²	44	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-49.4	177	170.4	-114.1	0	0	0	113.1	V33 K34 K39 A40 V43 F45 L120 L124 V205 V207 I224 W241 L249 L253	V33-W37 WeakPolarHBondContact O-CB 3.33Å; V33-W37 PolarHBondContact O-N 3.49Å; K34-W37 WeakPolarHBondContact O-CB 3.42Å; K34-W37 PolarHBondContact O-N 2.8Å; W37-K39 PolarHBondContact O-N 3.37Å; W37-A40 WeakPolarHBondContact O-CB 3.45Å; W37-A40 PolarHBondContact O-N 3.18Å; W37-V43 HydrophobicContact CE3-CG2 4.28Å; W37-V43 HydrophobicContact CH2-CG1 4.31Å; W37-V43 HydrophobicContact CH2-CG2 4.2Å; W37-V43 HydrophobicContact CZ3-CB 4.34Å; W37-V43 HydrophobicContact CZ3-CG1 3.75Å; W37-V43 HydrophobicContact CZ3-CG2 3.57Å; W37-F45 HydrophobicContact CH2-CZ 4.42Å; W37-L120 HydrophobicContact CH2-CD1 4.12Å; W37-L120 HydrophobicContact CZ2-CD1 3.76Å; W37-L124 HydrophobicContact CH2-CD1 4.11Å; W37-L124 HydrophobicContact CH2-CD2 4.01Å; W37-L124 HydrophobicContact CZ2-CD2 4.26Å; W37-V205 HydrophobicContact CE3-CB 4.28Å; W37-V205 HydrophobicContact CE3-CG1 3.98Å; W37-V205 HydrophobicContact CE3-CG2 4.4Å; W37-V205 HydrophobicContact CZ3-CG1 4.37Å; W37-V207 HydrophobicContact CZ3-CG2 4.18Å; W37-I224 HydrophobicContact CB-CD1 4.24Å; W37-I224 HydrophobicContact CD2-CD1 3.86Å; W37-I224 HydrophobicContact CE3-CD1 3.57Å; W37-I224 HydrophobicContact CG-CD1 4.16Å; W37-I224 HydrophobicContact CZ3-CD1 4.18Å; W37-W241 HydrophobicContact CB-CZ3 3.81Å; W37-W241 AromaticContact CD1-CH2 3.76Å; W37-W241 AromaticContact CD1-CZ3 3.64Å; W37-W241 HydrophobicContact CD2-CZ3 4.36Å; W37-W241 HydrophobicContact CG-CH2 4.25Å; W37-W241 AromaticContact CG-CZ3 3.66Å; W37-W241 HydrophobicContact CG-CZ3 3.66Å; W37-L249 HydrophobicContact CH2-CB 4.45Å; W37-L249 HydrophobicContact CH2-CD1 4.42Å; W37-L249 HydrophobicContact CZ2-CB 3.71Å; W37-L249 HydrophobicContact CZ2-CD1 4.43Å; W37-L249 PolarHBondContact NE1-O 2.88Å; W37-L253 HydrophobicContact CD2-CD2 4.24Å; W37-L253 HydrophobicContact CG-CD2 4.41Å; W37-L253 HydrophobicContact CZ2-CD1 3.87Å; W37-L253 HydrophobicContact CZ2-CD2 3.94Å; W37-L253 HydrophobicContact CZ2-CG 3.91Å
38	R	97.8	Very high	96.5	Very high	25 Å²	25	38.7 Å²	38.7	9%	0.094	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-27.4	178.7	-66.6	174.6	-159.6	161.8	3.5	112.6	K34 R127 D252	K34-R38 WeakPolarHBondContact O-CG 3.47Å; K34-R38 PolarHBondContact O-N 2.86Å; R38-R127 PolarHBondContact O-NH2 3.44Å; R38-D252 WeakPolarHBondContact CG-O 3.44Å; R38-D252 IonicContact CZ-OD1 3.84Å; R38-D252 IonicContact CZ-OD2 2.71Å; R38-D252 PolarHBondContact NE-O 3.33Å; R38-D252 IonicContact NE-OD1 3.62Å; R38-D252 IonicContact NE-OD2 3.83Å; R38-D252 PolarHBondContact NE-OD2 3.12Å; R38-D252 IonicContact NH2-OD1 3.66Å; R38-D252 PolarHBondContact NH2-OD1 3.31Å; R38-D252 IonicContact NH2-OD2 2.77Å
39	K	96.9	Very high	97.2	Very high	109 Å²	109	33.9 Å²	33.9	47%	0.474	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.2	-179.2	-72.1	172.9	167.1	145.3	0	114.2	R35 V36 W37 D41 E257	R35-K39 PolarHBondContact O-N 2.98Å; V36-K39 CarbonylContact O-C 3.59Å; V36-K39 PolarHBondContact O-N 3.26Å; W37-K39 PolarHBondContact O-N 3.37Å; K39-D41 PolarHBondContact O-N 3.05Å; K39-E257 VanDerWaalsContact CE-OE1 3.29Å; K39-E257 WeakPolarHBondContact CE-OE1 3.4Å; K39-E257 VanDerWaalsContact CE-OE2 3.27Å; K39-E257 WeakPolarHBondContact CE-OE2 3.3Å; K39-E257 IonicContact NZ-OE1 2.93Å; K39-E257 PolarHBondContact NZ-OE1 3.09Å; K39-E257 IonicContact NZ-OE2 3.64Å; K39-E257 PolarHBondContact NZ-OE2 2.93Å
40	A	98.3	Very high	97.6	Very high	6 Å²	6	30 Å²	30	5%	0.05	14%	0.14	C	C	.	.			trans	-63.8	121.7	-175.1	0	0	0	0	0	113	V36 W37 V43 T129 V205	V36-A40 PolarHBondContact O-N 2.75Å; V36-A40 VanDerWaalsContact O-N 3.15Å; W37-A40 WeakPolarHBondContact O-CB 3.45Å; W37-A40 PolarHBondContact O-N 3.18Å; A40-V43 HydrophobicContact CB-CG2 3.93Å; A40-T129 HydrophobicContact CB-CG2 4.48Å; A40-T129 WeakPolarHBondContact O-CG2 3.09Å; A40-T129 PolarHBondContact O-OG1 2.89Å; A40-T129 VanDerWaalsContact O-OG1 3.09Å; A40-V205 HydrophobicContact CB-CG2 3.85Å
41	D	98.3	Very high	97.8	Very high	62 Å²	62	27.1 Å²	27.1	33%	0.332	13%	0.126	S	C	.	.	S	Bend	trans	-73.4	-36.5	169	-56.7	-46.3	0	0	0	110.3	K39 H130 Y201 K202 T203	K39-D41 PolarHBondContact O-N 3.05Å; D41-H130 PolarHBondContact O-N 2.98Å; D41-Y201 HydrophobicContact CB-CD1 3.68Å; D41-Y201 HydrophobicContact CB-CE1 4.45Å; D41-Y201 HydrophobicContact CB-CG 4.33Å; D41-K202 WeakPolarHBondContact OD2-CA 3.48Å; D41-K202 WeakPolarHBondContact OD2-CB 3.5Å; D41-K202 PolarHBondContact OD2-N 2.75Å; D41-T203 PolarHBondContact N-O 3.2Å; D41-T203 PolarHBondContact OD2-N 2.69Å
42	A	98.8	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.8	176	0	0	0	0	0	112.5	H130 Y132 Y201 T203 V204 V205	A42-H130 CarbonylContact C-O 3.59Å; A42-H130 WeakPolarHBondContact CA-O 3.22Å; A42-H130 HydrophobicContact CB-CB 4.23Å; A42-H130 WeakPolarHBondContact CB-O 3.44Å; A42-Y132 HydrophobicContact CB-CD2 4.19Å; A42-Y132 HydrophobicContact CB-CE2 3.94Å; A42-Y201 HydrophobicContact CB-CD1 4.21Å; A42-Y201 HydrophobicContact CB-CD2 3.85Å; A42-Y201 HydrophobicContact CB-CE1 4.13Å; A42-Y201 HydrophobicContact CB-CE2 3.75Å; A42-Y201 HydrophobicContact CB-CG 4.09Å; A42-T203 PolarHBondContact N-O 3.13Å; A42-V204 HydrophobicContact CB-CG1 4.5Å; A42-V204 HydrophobicContact CB-CG2 4.29Å; A42-V204 WeakPolarHBondContact O-CA 3.28Å; A42-V205 PolarHBondContact O-N 3.34Å
43	V	98.9	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.8	174.2	-177.7	0	0	0	0	109	W37 A40 F45 L124 T129 H130 V131 Y132 V205 V207	W37-V43 HydrophobicContact CE3-CG2 4.28Å; W37-V43 HydrophobicContact CH2-CG1 4.31Å; W37-V43 HydrophobicContact CH2-CG2 4.2Å; W37-V43 HydrophobicContact CZ3-CB 4.34Å; W37-V43 HydrophobicContact CZ3-CG1 3.75Å; W37-V43 HydrophobicContact CZ3-CG2 3.57Å; A40-V43 HydrophobicContact CB-CG2 3.93Å; V43-F45 HydrophobicContact CB-CE2 4.01Å; V43-F45 HydrophobicContact CG1-CD2 3.79Å; V43-F45 HydrophobicContact CG1-CE1 4.33Å; V43-F45 HydrophobicContact CG1-CE2 3.3Å; V43-F45 HydrophobicContact CG1-CG 4.48Å; V43-F45 HydrophobicContact CG1-CZ 3.61Å; V43-L124 HydrophobicContact CB-CD1 4.34Å; V43-L124 HydrophobicContact CG2-CD1 4.27Å; V43-L124 HydrophobicContact CG2-CD2 4.02Å; V43-T129 HydrophobicContact CG2-CG2 3.82Å; V43-H130 PolarHBondContact N-O 3.14Å; V43-V131 WeakPolarHBondContact O-CA 3.35Å; V43-Y132 PolarHBondContact O-N 2.81Å; V43-V205 WeakPolarHBondContact CA-O 3.27Å; V43-V207 HydrophobicContact CG1-CG2 3.9Å
44	C	98.9	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.8	172.1	-61.9	0	0	0	0	108.6	V134 V205 M206 V207	C44-V134 HydrophobicContact CB-CG2 3.84Å; C44-V205 PolarHBondContact N-O 3.1Å; C44-M206 HydrophobicContact CB-SD 3.59Å; C44-M206 VanDerWaalsContact CB-SD 3.59Å; C44-M206 CarbonylContact O-C 3.17Å; C44-M206 WeakPolarHBondContact O-CA 3.4Å; C44-M206 VanDerWaalsContact O-SD 3.36Å; C44-V207 PolarHBondContact O-N 3.15Å
45	F	98.9	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.4	173.2	-71	-88.3	0	0	0	110.4	W37 V43 V51 I117 L120 L124 V131 Y132 L133 V134 V207 F246	W37-F45 HydrophobicContact CH2-CZ 4.42Å; V43-F45 HydrophobicContact CB-CE2 4.01Å; V43-F45 HydrophobicContact CG1-CD2 3.79Å; V43-F45 HydrophobicContact CG1-CE1 4.33Å; V43-F45 HydrophobicContact CG1-CE2 3.3Å; V43-F45 HydrophobicContact CG1-CG 4.48Å; V43-F45 HydrophobicContact CG1-CZ 3.61Å; F45-V51 HydrophobicContact CB-CG2 3.61Å; F45-V51 HydrophobicContact CD1-CG2 4.3Å; F45-V51 HydrophobicContact CG-CG2 4.09Å; F45-I117 HydrophobicContact CD1-CD1 4.27Å; F45-I117 HydrophobicContact CE1-CD1 4.04Å; F45-I117 HydrophobicContact CZ-CD1 4.37Å; F45-L120 HydrophobicContact CE1-CD2 4.01Å; F45-L120 HydrophobicContact CZ-CD2 3.86Å; F45-L120 HydrophobicContact CZ-CG 4.34Å; F45-L124 HydrophobicContact CE2-CD1 3.75Å; F45-L124 HydrophobicContact CZ-CD1 3.87Å; F45-V131 HydrophobicContact CD2-CG1 3.74Å; F45-V131 HydrophobicContact CE2-CG1 3.87Å; F45-Y132 PolarHBondContact N-O 3.49Å; F45-L133 HydrophobicContact CB-CD2 4.23Å; F45-V134 PolarHBondContact O-N 2.97Å; F45-V207 WeakPolarHBondContact CA-O 3.43Å; F45-V207 HydrophobicContact CD1-CB 3.62Å; F45-V207 HydrophobicContact CD1-CG1 3.92Å; F45-V207 HydrophobicContact CD1-CG2 4.18Å; F45-V207 HydrophobicContact CE1-CB 3.74Å; F45-V207 HydrophobicContact CE1-CG1 3.87Å; F45-V207 HydrophobicContact CE1-CG2 3.86Å; F45-V207 HydrophobicContact CG-CB 4.45Å; F45-V207 HydrophobicContact CZ-CG2 4.37Å; F45-F246 HydrophobicContact CE1-CE1 4.11Å
46	D	98.8	Very high	97.5	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.064	11%	0.112	C	C	.	.			trans	-63.9	157.4	155.8	-163	17.2	0	0	0	110.9	T50 V51 K188 M206 V207 D213	D46-T50 HydrophobicContact CB-CG2 4.23Å; D46-T50 WeakPolarHBondContact O-CB 3.49Å; D46-T50 WeakPolarHBondContact O-CG2 3.32Å; D46-V51 WeakPolarHBondContact O-CG2 3.49Å; D46-V51 PolarHBondContact O-N 2.8Å; D46-K188 IonicContact OD1-NZ 3.62Å; D46-K188 PolarHBondContact OD1-NZ 3.28Å; D46-K188 IonicContact OD2-NZ 2.8Å; D46-K188 PolarHBondContact OD2-NZ 2.95Å; D46-M206 HydrophobicContact CB-CE 4.26Å; D46-V207 PolarHBondContact N-O 3.18Å; D46-D213 WeakPolarHBondContact CB-OD1 3.27Å
47	V	98.6	Very high	97.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	10%	0.104	C	C	.	.	I	π-helix	trans	-101.2	-65.8	-179	-177.1	0	0	0	0	111.6	T50 V51 C52 L133 I142	V47-T50 PolarHBondContact O-N 3.38Å; V47-V51 PolarHBondContact O-N 3.15Å; V47-C52 PolarHBondContact O-N 3.27Å; V47-L133 HydrophobicContact CG2-CB 3.87Å; V47-L133 HydrophobicContact CG2-CD1 4.37Å; V47-L133 HydrophobicContact CG2-CD2 4.27Å; V47-L133 HydrophobicContact CG2-CG 4.39Å; V47-I142 HydrophobicContact CB-CG1 4.45Å; V47-I142 HydrophobicContact CG1-CG1 4.17Å; V47-I142 HydrophobicContact CG2-CD1 4.13Å; V47-I142 HydrophobicContact CG2-CG1 4.21Å; V47-I142 HydrophobicContact CG2-CG2 4.01Å
48	D	97.3	Very high	97.2	Very high	19 Å²	19	23.7 Å²	23.7	10%	0.102	12%	0.12	C	C	.	.	I	π-helix	trans	-65.3	137.4	-176.1	-59.7	-52.6	0	0	0	109.5	T50 E55 G56	D48-T50 PolarHBondContact O-N 2.88Å; D48-E55 WeakPolarHBondContact CB-OE2 3.38Å; D48-G56 PolarHBondContact OD1-N 3.13Å
49	S	97.3	Very high	97.1	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.028	13%	0.132	C	C	.	.	I	π-helix	trans	57.1	3	-175.8	-65.2	0	0	0	0	116.6	C52 D54 E55 D209 N229	S49-C52 CarbonylContact C-O 3.55Å; S49-C52 VanDerWaalsContact CA-O 3.31Å; S49-C52 WeakPolarHBondContact CA-O 3.1Å; S49-C52 PolarHBondContact N-O 3.29Å; S49-D54 PolarHBondContact N-O 3.08Å; S49-E55 PolarHBondContact OG-OE1 3.12Å; S49-D209 WeakPolarHBondContact CB-OD1 3.29Å; S49-D209 WeakPolarHBondContact CB-OD2 3.23Å; S49-N229 WeakPolarHBondContact O-CB 3.36Å; S49-N229 PolarHBondContact O-ND2 3.26Å
50	T	98.6	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-122.3	-78.7	179.8	-65.9	0	0	0	0	111.8	D46 V47 D48 C52 T114 G208 D209 F226 F246	D46-T50 HydrophobicContact CB-CG2 4.23Å; D46-T50 WeakPolarHBondContact O-CB 3.49Å; D46-T50 WeakPolarHBondContact O-CG2 3.32Å; V47-T50 PolarHBondContact O-N 3.38Å; D48-T50 PolarHBondContact O-N 2.88Å; T50-C52 VanDerWaalsContact C-N 3.33Å; T50-C52 PolarHBondContact N-O 3.11Å; T50-T114 VanDerWaalsContact O-CB 3.3Å; T50-T114 WeakPolarHBondContact O-CB 3.47Å; T50-T114 PolarHBondContact O-OG1 2.76Å; T50-G208 WeakPolarHBondContact OG1-CA 3.5Å; T50-D209 PolarHBondContact OG1-N 2.87Å; T50-D209 VanDerWaalsContact OG1-N 3.16Å; T50-D209 PolarHBondContact OG1-OD1 3.01Å; T50-F226 HydrophobicContact CG2-CB 4.36Å; T50-F226 HydrophobicContact CG2-CD1 4.25Å; T50-F226 HydrophobicContact CG2-CG 4.44Å; T50-F246 HydrophobicContact CG2-CZ 4.06Å; T50-F246 WeakPolarHBondContact O-CE2 3.36Å; T50-F246 WeakPolarHBondContact O-CZ 3.46Å
51	V	98.8	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-70.6	-35	175.7	166.7	0	0	0	0	110.9	F45 D46 V47 L113 T114 I117 L133 V145 L149	F45-V51 HydrophobicContact CB-CG2 3.61Å; F45-V51 HydrophobicContact CD1-CG2 4.3Å; F45-V51 HydrophobicContact CG-CG2 4.09Å; D46-V51 WeakPolarHBondContact O-CG2 3.49Å; D46-V51 PolarHBondContact O-N 2.8Å; V47-V51 PolarHBondContact O-N 3.15Å; V51-L113 HydrophobicContact CG1-CD2 4.23Å; V51-T114 PolarHBondContact O-N 2.83Å; V51-T114 PolarHBondContact O-OG1 2.71Å; V51-I117 HydrophobicContact CB-CG1 4.36Å; V51-I117 HydrophobicContact CG1-CG1 4.1Å; V51-I117 HydrophobicContact CG2-CD1 4.15Å; V51-I117 HydrophobicContact CG2-CG1 4.06Å; V51-L133 HydrophobicContact CG2-CD2 4.07Å; V51-V145 HydrophobicContact CG1-CG1 3.49Å; V51-V145 VanDerWaalsContact CG1-CG1 3.49Å; V51-L149 HydrophobicContact CG1-CD1 3.6Å
52	C	98.2	Very high	96.9	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.027	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-108.3	151.5	173.2	-60.7	0	0	0	0	110.5	V47 S49 T50 D54 K112 N229	V47-C52 PolarHBondContact O-N 3.27Å; S49-C52 CarbonylContact C-O 3.55Å; S49-C52 VanDerWaalsContact CA-O 3.31Å; S49-C52 WeakPolarHBondContact CA-O 3.1Å; S49-C52 PolarHBondContact N-O 3.29Å; T50-C52 VanDerWaalsContact C-N 3.33Å; T50-C52 PolarHBondContact N-O 3.11Å; C52-D54 VanDerWaalsContact C-N 3.31Å; C52-D54 WeakPolarHBondContact CB-OD1 3.48Å; C52-K112 CarbonylContact C-O 3.5Å; C52-K112 WeakPolarHBondContact CA-O 3.42Å; C52-N229 PolarHBondContact O-ND2 2.95Å
53	Q	97.6	Very high	96.8	Very high	93 Å²	93	24.8 Å²	24.8	44%	0.435	13%	0.132	S	C	.	.	S	Bend	trans	-77.4	-23.5	177.4	-58.9	178.5	24.6	0	0	112.1	K112 L113 N229	Q53-K112 HydrophobicContact CB-CB 4.22Å; Q53-K112 WeakPolarHBondContact CG-O 3.39Å; Q53-K112 PolarHBondContact N-O 2.84Å; Q53-L113 PolarHBondContact NE2-O 2.87Å; Q53-N229 WeakPolarHBondContact CG-OD1 3.36Å
54	D	93.1	Very high	96.8	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.134	14%	0.14	C	C	.	.	S	Bend	trans	-104.3	167.7	-177.3	45.2	6.7	0	0	0	112.8	S49 C52 E59 K112	S49-D54 PolarHBondContact N-O 3.08Å; C52-D54 VanDerWaalsContact C-N 3.31Å; C52-D54 WeakPolarHBondContact CB-OD1 3.48Å; D54-E59 HydrophobicContact CB-CG 3.87Å; D54-K112 WeakPolarHBondContact OD2-CG 3.44Å; D54-K112 IonicContact OD2-NZ 3.1Å; D54-K112 PolarHBondContact OD2-NZ 2.86Å
55	E	93.6	Very high	96.7	Very high	53 Å²	53	29.6 Å²	29.6	25%	0.248	17%	0.174	C	C	.	.			trans	-102.4	111.4	173.8	-67.8	-85.2	171.1	0	0	108.1	D48 S49 I57 D58 E59 R232	D48-E55 WeakPolarHBondContact CB-OE2 3.38Å; S49-E55 PolarHBondContact OG-OE1 3.12Å; E55-I57 PolarHBondContact O-N 3.33Å; E55-I57 VanDerWaalsContact O-N 3.14Å; E55-D58 HydrophobicContact CB-CB 4.07Å; E55-D58 PolarHBondContact O-N 3.07Å; E55-E59 PolarHBondContact O-N 3.37Å; E55-E59 VanDerWaalsContact O-N 3.12Å; E55-R232 IonicContact OE1-NH2 2.73Å
56	G	93.7	Very high	96.7	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-32.1	-168.8	0	0	0	0	0	114.2	D48 L60 L141	D48-G56 PolarHBondContact OD1-N 3.13Å; G56-L60 PolarHBondContact O-N 3.16Å; G56-L60 VanDerWaalsContact O-N 3.13Å; G56-L141 WeakPolarHBondContact O-CD1 3.35Å
57	I	94.2	Very high	96.5	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-71.2	-34.8	176.2	-162.1	176.6	0	0	0	112.5	E55 L60 A61 L88 R91 M95 F138	E55-I57 PolarHBondContact O-N 3.33Å; E55-I57 VanDerWaalsContact O-N 3.14Å; I57-L60 PolarHBondContact O-N 2.86Å; I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 2.89Å; I57-L88 HydrophobicContact CD1-CD1 4.44Å; I57-R91 HydrophobicContact CD1-CB 3.95Å; I57-R91 VanDerWaalsContact CD1-CZ 3.43Å; I57-R91 VanDerWaalsContact CD1-NH2 3.28Å; I57-M95 HydrophobicContact CD1-CE 3.95Å; I57-M95 HydrophobicContact CD1-SD 4.35Å; I57-M95 HydrophobicContact CG1-CE 3.69Å; I57-M95 HydrophobicContact CG1-SD 3.79Å; I57-F138 HydrophobicContact CD1-CE2 3.86Å; I57-F138 HydrophobicContact CD1-CZ 4.47Å; I57-F138 HydrophobicContact CG1-CE2 4.08Å
58	D	94.6	Very high	96.4	Very high	63 Å²	63	39.4 Å²	39.4	34%	0.337	23%	0.229	S	C	.	.	H	α-helix	trans	-73.6	-38	-179.2	-69.7	-17.2	0	0	0	110.2	E55 A61 A62	E55-D58 HydrophobicContact CB-CB 4.07Å; E55-D58 PolarHBondContact O-N 3.07Å; D58-A61 PolarHBondContact O-N 3.25Å; D58-A62 WeakPolarHBondContact O-CB 3.41Å; D58-A62 PolarHBondContact O-N 2.92Å
59	E	95.6	Very high	96.3	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-41.4	172.6	-62.3	-73.4	121.3	0	0	111.4	D54 E55 A62 Y63 F105 K112	D54-E59 HydrophobicContact CB-CG 3.87Å; E55-E59 PolarHBondContact O-N 3.37Å; E55-E59 VanDerWaalsContact O-N 3.12Å; E59-A62 PolarHBondContact O-N 3.15Å; E59-Y63 PolarHBondContact O-N 3.49Å; E59-F105 HydrophobicContact CB-CE2 4.28Å; E59-F105 HydrophobicContact CB-CZ 3.71Å; E59-K112 IonicContact OE1-NZ 2.57Å; E59-K112 IonicContact OE2-NZ 2.69Å; E59-K112 PolarHBondContact OE2-NZ 2.8Å
60	L	96.6	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-42.2	173.8	177.8	61.6	0	0	0	111.4	G56 I57 A62 Y63 L64 M95 P97 L102 F105	G56-L60 PolarHBondContact O-N 3.16Å; G56-L60 VanDerWaalsContact O-N 3.13Å; I57-L60 PolarHBondContact O-N 2.86Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-Y63 HydrophobicContact CD1-CD1 4.36Å; L60-Y63 WeakPolarHBondContact O-CB 3.08Å; L60-Y63 PolarHBondContact O-N 3.36Å; L60-L64 HydrophobicContact CD1-CD1 4.16Å; L60-L64 HydrophobicContact CD1-CG 4.28Å; L60-L64 HydrophobicContact CG-CD1 4.06Å; L60-L64 VanDerWaalsContact O-CG 3.26Å; L60-L64 WeakPolarHBondContact O-CG 3.42Å; L60-L64 PolarHBondContact O-N 2.94Å; L60-M95 HydrophobicContact CD2-CE 4.09Å; L60-P97 HydrophobicContact CD2-CG 4.44Å; L60-L102 HydrophobicContact CD1-CD1 4.47Å; L60-L102 HydrophobicContact CD2-CD1 4.07Å; L60-F105 HydrophobicContact CB-CD1 4.32Å; L60-F105 HydrophobicContact CB-CE1 4.06Å; L60-F105 HydrophobicContact CB-CZ 4.29Å; L60-F105 HydrophobicContact CD1-CB 3.99Å; L60-F105 HydrophobicContact CD1-CD1 3.82Å; L60-F105 HydrophobicContact CD1-CD2 4.36Å; L60-F105 HydrophobicContact CD1-CE1 4.42Å; L60-F105 HydrophobicContact CD1-CG 3.78Å
61	A	97.1	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-40.4	177.1	0	0	0	0	0	112.1	I57 D58 L64 G65 V66 G67 V70 M95	I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 2.89Å; D58-A61 PolarHBondContact O-N 3.25Å; A61-L64 PolarHBondContact O-N 3.45Å; A61-G65 PolarHBondContact O-N 3.18Å; A61-V66 HydrophobicContact CB-CG2 4.35Å; A61-V66 CarbonylContact O-C 3.57Å; A61-V66 PolarHBondContact O-N 2.95Å; A61-G67 PolarHBondContact O-N 3.47Å; A61-G67 VanDerWaalsContact O-N 3.13Å; A61-V70 HydrophobicContact CB-CB 3.87Å; A61-V70 HydrophobicContact CB-CG1 4.14Å; A61-V70 HydrophobicContact CB-CG2 3.65Å; A61-M95 HydrophobicContact CB-CG 4.22Å; A61-M95 HydrophobicContact CB-SD 3.76Å
62	A	96.4	Very high	95.6	Very high	63 Å²	63	45 Å²	45	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-45	175	0	0	0	0	0	111.4	D58 E59 L60 L64 G65	D58-A62 WeakPolarHBondContact O-CB 3.41Å; D58-A62 PolarHBondContact O-N 2.92Å; E59-A62 PolarHBondContact O-N 3.15Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 3.24Å; A62-G65 PolarHBondContact O-N 3.44Å
63	Y	96.9	Very high	95.3	Very high	86 Å²	86	46.6 Å²	46.6	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-57.7	-39.4	174.8	172.7	-104.3	0	0	0	112.8	E59 L60 G65 Q101 Q104 F105 I108	E59-Y63 PolarHBondContact O-N 3.49Å; L60-Y63 HydrophobicContact CD1-CD1 4.36Å; L60-Y63 WeakPolarHBondContact O-CB 3.08Å; L60-Y63 PolarHBondContact O-N 3.36Å; Y63-G65 PolarHBondContact O-N 2.82Å; Y63-Q101 HydrophobicContact CE1-CB 4.44Å; Y63-Q104 PolarHBondContact OH-OE1 3.01Å; Y63-F105 HydrophobicContact CD1-CB 3.82Å; Y63-F105 AromaticContact CD1-CD2 3.91Å; Y63-F105 HydrophobicContact CD1-CD2 3.91Å; Y63-F105 HydrophobicContact CD1-CG 4.22Å; Y63-F105 HydrophobicContact CD2-CD2 4.07Å; Y63-F105 HydrophobicContact CE1-CB 3.92Å; Y63-F105 HydrophobicContact CG-CB 4.28Å; Y63-F105 AromaticContact CG-CD2 3.55Å; Y63-F105 HydrophobicContact CG-CD2 3.55Å; Y63-F105 HydrophobicContact CG-CE2 4.36Å; Y63-F105 HydrophobicContact CG-CG 4.32Å; Y63-I108 HydrophobicContact CD2-CD1 4.06Å; Y63-I108 HydrophobicContact CE2-CD1 3.56Å
64	L	97.4	Very high	94.8	Very high	33 Å²	33	43.5 Å²	43.5	17%	0.173	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.5	177.7	-64.9	171.3	0	0	0	113.8	L60 A61 A62 V66 M95 P97 Q101	L60-L64 HydrophobicContact CD1-CD1 4.16Å; L60-L64 HydrophobicContact CD1-CG 4.28Å; L60-L64 HydrophobicContact CG-CD1 4.06Å; L60-L64 VanDerWaalsContact O-CG 3.26Å; L60-L64 WeakPolarHBondContact O-CG 3.42Å; L60-L64 PolarHBondContact O-N 2.94Å; A61-L64 PolarHBondContact O-N 3.45Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 3.24Å; L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 HydrophobicContact CB-CG2 3.94Å; L64-V66 PolarHBondContact O-N 3.34Å; L64-M95 HydrophobicContact CD1-CB 3.96Å; L64-M95 HydrophobicContact CD1-CG 4.49Å; L64-P97 HydrophobicContact CD1-CB 4Å; L64-Q101 HydrophobicContact CD2-CB 3.99Å; L64-Q101 HydrophobicContact CD2-CG 4.18Å
65	G	97.7	Very high	94.5	Very high	69 Å²	69	48.7 Å²	48.7	71%	0.711	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	17.8	-178.5	0	0	0	0	0	114.5	A61 A62 Y63	A61-G65 PolarHBondContact O-N 3.18Å; A62-G65 PolarHBondContact O-N 3.44Å; Y63-G65 PolarHBondContact O-N 2.82Å
66	V	97.8	Very high	94.1	Very high	41 Å²	41	51.1 Å²	51.1	25%	0.248	30%	0.302	C	S	.	.			trans	-120.7	15.9	-177.1	-61.6	0	0	0	0	113.3	A61 L64 E68 A69 V70 V94 M95	A61-V66 HydrophobicContact CB-CG2 4.35Å; A61-V66 CarbonylContact O-C 3.57Å; A61-V66 PolarHBondContact O-N 2.95Å; L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 HydrophobicContact CB-CG2 3.94Å; L64-V66 PolarHBondContact O-N 3.34Å; V66-E68 VanDerWaalsContact C-N 3.33Å; V66-E68 PolarHBondContact O-N 3.41Å; V66-A69 PolarHBondContact O-N 3.4Å; V66-A69 VanDerWaalsContact O-N 3.1Å; V66-V70 HydrophobicContact CG2-CG2 4.23Å; V66-V70 PolarHBondContact O-N 3.22Å; V66-V94 HydrophobicContact CB-CG1 4.41Å; V66-M95 HydrophobicContact CG2-CB 4.46Å; V66-M95 HydrophobicContact CG2-CG 4.06Å
67	G	96.3	Very high	93.5	Very high	25 Å²	25	51.2 Å²	51.2	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-52.7	-44.7	-177.3	0	0	0	0	0	114	A61 A69 V70 A71	A61-G67 PolarHBondContact O-N 3.47Å; A61-G67 VanDerWaalsContact O-N 3.13Å; G67-A69 PolarHBondContact O-N 3.2Å; G67-V70 PolarHBondContact O-N 2.98Å; G67-A71 WeakPolarHBondContact O-CB 3.35Å; G67-A71 PolarHBondContact O-N 3.33Å
68	E	95.9	Very high	92.4	Very high	155 Å²	155	57.2 Å²	57.2	72%	0.724	33%	0.331	S	S	*	.	H	α-helix	trans	-63.4	-42.4	178.3	-171.2	-175.8	175	0	0	112.2	V66 A71 N72	V66-E68 VanDerWaalsContact C-N 3.33Å; V66-E68 PolarHBondContact O-N 3.41Å; E68-A71 PolarHBondContact O-N 3.2Å; E68-N72 PolarHBondContact O-N 3.43Å; E68-N72 PolarHBondContact O-ND2 3.26Å; E68-N72 PolarHBondContact O-OD1 3.42Å
69	A	94.9	Very high	91.4	Very high	42 Å²	42	61 Å²	61	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-40.5	179.3	0	0	0	0	0	111.6	V66 G67 N72 V73 V94	V66-A69 PolarHBondContact O-N 3.4Å; V66-A69 VanDerWaalsContact O-N 3.1Å; G67-A69 PolarHBondContact O-N 3.2Å; A69-N72 PolarHBondContact O-N 2.97Å; A69-V73 PolarHBondContact O-N 3.09Å; A69-V94 HydrophobicContact CB-CG1 3.57Å
70	V	95.3	Very high	89.9	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-46.1	174.2	173.1	0	0	0	0	110.8	A61 V66 G67 N72 V73 T74 R91 V94 M95	A61-V70 HydrophobicContact CB-CB 3.87Å; A61-V70 HydrophobicContact CB-CG1 4.14Å; A61-V70 HydrophobicContact CB-CG2 3.65Å; V66-V70 HydrophobicContact CG2-CG2 4.23Å; V66-V70 PolarHBondContact O-N 3.22Å; G67-V70 PolarHBondContact O-N 2.98Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 2.95Å; V70-V73 PolarHBondContact O-N 2.93Å; V70-V73 VanDerWaalsContact O-N 3.15Å; V70-T74 PolarHBondContact O-N 3.22Å; V70-T74 PolarHBondContact O-OG1 2.92Å; V70-R91 HydrophobicContact CG1-CB 4.22Å; V70-R91 HydrophobicContact CG1-CG 4.16Å; V70-V94 HydrophobicContact CG2-CB 4.23Å; V70-V94 HydrophobicContact CG2-CG1 3.89Å; V70-M95 HydrophobicContact CG2-CG 3.42Å; V70-M95 VanDerWaalsContact CG2-CG 3.42Å; V70-M95 HydrophobicContact CG2-SD 4.12Å
71	A	92.3	Very high	88.7	Confident	34 Å²	34	68 Å²	68	28%	0.281	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-38.9	177.4	0	0	0	0	0	112.2	G67 E68 T74 R75	G67-A71 WeakPolarHBondContact O-CB 3.35Å; G67-A71 PolarHBondContact O-N 3.33Å; E68-A71 PolarHBondContact O-N 3.2Å; A71-T74 PolarHBondContact O-N 3.15Å; A71-R75 WeakPolarHBondContact O-CG 3.45Å; A71-R75 PolarHBondContact O-N 2.9Å; A71-R75 PolarHBondContact O-NH1 3.48Å
72	N	92.1	Very high	88	Confident	63 Å²	63	70.2 Å²	70.2	34%	0.337	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176	-68.8	-12.2	0	0	0	112	E68 A69 V70 R75 T76	E68-N72 PolarHBondContact O-N 3.43Å; E68-N72 PolarHBondContact O-ND2 3.26Å; E68-N72 PolarHBondContact O-OD1 3.42Å; A69-N72 PolarHBondContact O-N 2.97Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 2.95Å; N72-R75 PolarHBondContact OD1-NH2 2.94Å; N72-T76 PolarHBondContact O-N 3.3Å; N72-T76 VanDerWaalsContact O-N 3.13Å; N72-T76 PolarHBondContact O-OG1 3.11Å
73	V	91.4	Very high	87.7	Confident	39 Å²	39	73.3 Å²	73.3	24%	0.236	42%	0.421	C	S	.	.	H	α-helix	trans	-67.1	-42.4	176.9	171.8	0	0	0	0	111.4	A69 V70 R75 T76 A77 A90 R91 V94	A69-V73 PolarHBondContact O-N 3.09Å; V70-V73 PolarHBondContact O-N 2.93Å; V70-V73 VanDerWaalsContact O-N 3.15Å; V73-R75 PolarHBondContact O-N 3.01Å; V73-T76 PolarHBondContact O-N 3.21Å; V73-A77 WeakPolarHBondContact O-CB 3.26Å; V73-A77 PolarHBondContact O-N 2.77Å; V73-A90 HydrophobicContact CG1-CB 3.49Å; V73-A90 VanDerWaalsContact CG1-CB 3.49Å; V73-R91 HydrophobicContact CG1-CG 4.37Å; V73-V94 HydrophobicContact CG2-CG2 3.89Å
74	T	87.7	Confident	87.4	Confident	27 Å²	27	71.8 Å²	71.8	17%	0.166	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-48.1	175.7	-59.8	0	0	0	0	111.2	V70 A71 T76 A77 M78 R91	V70-T74 PolarHBondContact O-N 3.22Å; V70-T74 PolarHBondContact O-OG1 2.92Å; A71-T74 PolarHBondContact O-N 3.15Å; T74-T76 VanDerWaalsContact C-N 3.33Å; T74-T76 PolarHBondContact O-N 2.98Å; T74-A77 PolarHBondContact O-N 3.44Å; T74-M78 HydrophobicContact CG2-CG 4.39Å; T74-M78 HydrophobicContact CG2-SD 3.76Å; T74-M78 WeakPolarHBondContact O-CB 3.33Å; T74-M78 VanDerWaalsContact O-CG 3.31Å; T74-M78 WeakPolarHBondContact O-CG 3.46Å; T74-M78 PolarHBondContact O-N 3.47Å; T74-R91 WeakPolarHBondContact OG1-CD 3.46Å
75	R	87.1	Confident	87.3	Confident	135 Å²	135	73 Å²	73	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-40.6	177.4	-71.9	-166.4	-55.1	-84.3	7.5	112.5	A71 N72 V73 N79	A71-R75 WeakPolarHBondContact O-CG 3.45Å; A71-R75 PolarHBondContact O-N 2.9Å; A71-R75 PolarHBondContact O-NH1 3.48Å; N72-R75 PolarHBondContact OD1-NH2 2.94Å; V73-R75 PolarHBondContact O-N 3.01Å; R75-N79 WeakPolarHBondContact O-CB 3.43Å; R75-N79 VanDerWaalsContact O-CG 3.23Å; R75-N79 PolarHBondContact O-N 3.28Å; R75-N79 VanDerWaalsContact O-N 3.1Å; R75-N79 PolarHBondContact O-ND2 3.49Å
76	T	84.8	Confident	87.1	Confident	103 Å²	103	74.2 Å²	74.2	63%	0.632	41%	0.409	S	S	*	.	H	α-helix	trans	-65.6	-44.1	178.9	-54.7	0	0	0	0	111.2	N72 V73 T74 N79 G80	N72-T76 PolarHBondContact O-N 3.3Å; N72-T76 VanDerWaalsContact O-N 3.13Å; N72-T76 PolarHBondContact O-OG1 3.11Å; V73-T76 PolarHBondContact O-N 3.21Å; T74-T76 VanDerWaalsContact C-N 3.33Å; T74-T76 PolarHBondContact O-N 2.98Å; T76-N79 PolarHBondContact O-N 3.38Å; T76-G80 PolarHBondContact O-N 2.9Å; T76-G80 VanDerWaalsContact O-N 3.11Å
77	A	81.9	Confident	86.8	Confident	17 Å²	17	73.2 Å²	73.2	14%	0.14	41%	0.405	C	S	.	.	H	α-helix	trans	-64.8	-44.9	179.1	0	0	0	0	0	112.3	V73 T74 N79 G80 A82 A87	V73-A77 WeakPolarHBondContact O-CB 3.26Å; V73-A77 PolarHBondContact O-N 2.77Å; T74-A77 PolarHBondContact O-N 3.44Å; A77-N79 VanDerWaalsContact C-N 3.35Å; A77-N79 PolarHBondContact O-N 2.92Å; A77-G80 PolarHBondContact O-N 2.97Å; A77-A82 HydrophobicContact CB-CB 4.01Å; A77-A82 WeakPolarHBondContact O-CB 3.49Å; A77-A82 PolarHBondContact O-N 3.32Å; A77-A87 HydrophobicContact CB-CB 3.59Å
78	M	71.3	Confident	86.8	Confident	131 Å²	131	72.1 Å²	72.1	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-67.6	-32.2	179.8	-69.2	178.4	72.8	0	0	113.1	T74	T74-M78 HydrophobicContact CG2-CG 4.39Å; T74-M78 HydrophobicContact CG2-SD 3.76Å; T74-M78 WeakPolarHBondContact O-CB 3.33Å; T74-M78 VanDerWaalsContact O-CG 3.31Å; T74-M78 WeakPolarHBondContact O-CG 3.46Å; T74-M78 PolarHBondContact O-N 3.47Å
79	N	73.6	Confident	86.7	Confident	143 Å²	143	66.1 Å²	66.1	77%	0.765	37%	0.37	S	S	*	.	H	α-helix	trans	-79.7	-19.4	175.6	-70.9	-21	0	0	0	113.2	R75 T76 A77	R75-N79 WeakPolarHBondContact O-CB 3.43Å; R75-N79 VanDerWaalsContact O-CG 3.23Å; R75-N79 PolarHBondContact O-N 3.28Å; R75-N79 VanDerWaalsContact O-N 3.1Å; R75-N79 PolarHBondContact O-ND2 3.49Å; T76-N79 PolarHBondContact O-N 3.38Å; A77-N79 VanDerWaalsContact C-N 3.35Å; A77-N79 PolarHBondContact O-N 2.92Å
80	G	62.8	Low	86.7	Confident	55 Å²	55	66 Å²	66	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	10.6	-167.2	0	0	0	0	0	116.3	T76 A77 A82	T76-G80 PolarHBondContact O-N 2.9Å; T76-G80 VanDerWaalsContact O-N 3.11Å; A77-G80 PolarHBondContact O-N 2.97Å; G80-A82 PolarHBondContact O-N 2.9Å; G80-A82 VanDerWaalsContact O-N 3.14Å
81	N	71.8	Confident	86.8	Confident	166 Å²	166	67.8 Å²	67.8	89%	0.888	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	31.7	-167.8	-84	3.8	0	0	0	112.6
82	A	82.3	Confident	87	Confident	47 Å²	47	66.2 Å²	66.2	39%	0.388	36%	0.362	S	S	.	.			trans	-64.8	139.9	179.6	0	0	0	0	0	110.1	A77 G80	A77-A82 HydrophobicContact CB-CB 4.01Å; A77-A82 WeakPolarHBondContact O-CB 3.49Å; A77-A82 PolarHBondContact O-N 3.32Å; G80-A82 PolarHBondContact O-N 2.9Å; G80-A82 VanDerWaalsContact O-N 3.14Å
83	R	90.3	Very high	87.2	Confident	129 Å²	129	68 Å²	68	49%	0.487	37%	0.369	S	S	.	.			trans	-58.9	141.1	170.9	-176.6	-178.4	176.8	178.1	3	109.2	R85 D86 A87 D180	R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 HydrophobicContact CG-CB 4.39Å; R83-R85 PolarHBondContact O-N 2.9Å; R83-D86 HydrophobicContact CB-CB 4.42Å; R83-D86 WeakPolarHBondContact CB-OD2 3.31Å; R83-D86 PolarHBondContact O-N 2.96Å; R83-A87 PolarHBondContact O-N 2.86Å; R83-D180 WeakPolarHBondContact CG-OD1 3.11Å; R83-D180 IonicContact CZ-OD2 3.08Å; R83-D180 IonicContact NE-OD1 3.41Å; R83-D180 PolarHBondContact NE-OD1 3.01Å; R83-D180 IonicContact NE-OD2 2.74Å; R83-D180 PolarHBondContact NE-OD2 3.34Å; R83-D180 IonicContact NH2-OD2 2.63Å; R83-D180 PolarHBondContact NH2-OD2 3.02Å
84	F	91.6	Very high	87.4	Confident	53 Å²	53	68.6 Å²	68.6	23%	0.232	37%	0.372	C	S	.	.	H	α-helix	trans	-52	-47.6	-178.1	179	-85.4	0	0	0	112.2	D86 A87 L88 T178 S181	F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.24Å; F84-A87 WeakPolarHBondContact O-CB 3.43Å; F84-A87 PolarHBondContact O-N 3.15Å; F84-L88 HydrophobicContact CE1-CB 4.5Å; F84-L88 HydrophobicContact CE1-CD2 4.16Å; F84-L88 WeakPolarHBondContact O-CB 3.46Å; F84-L88 PolarHBondContact O-N 3.31Å; F84-T178 WeakPolarHBondContact CE1-O 3.21Å; F84-S181 WeakPolarHBondContact CB-OG 3.31Å
85	R	94.3	Very high	87.8	Confident	59 Å²	59	67.9 Å²	67.9	22%	0.223	37%	0.367	C	S	.	.	H	α-helix	trans	-55.7	-43.4	177.5	-174.9	174.6	-70.7	-173.3	-8	113.2	R83 L88 A89 F172 T174 S179 D180	R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 HydrophobicContact CG-CB 4.39Å; R83-R85 PolarHBondContact O-N 2.9Å; R85-L88 PolarHBondContact O-N 2.89Å; R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.41Å; R85-F172 HydrophobicContact CG-CE2 4.46Å; R85-F172 HydrophobicContact CG-CZ 3.93Å; R85-T174 PolarHBondContact NH2-O 3.31Å; R85-S179 WeakPolarHBondContact CB-O 3.41Å; R85-S179 PolarHBondContact NE-O 3.21Å; R85-S179 PolarHBondContact NH2-OG 3.35Å; R85-D180 HydrophobicContact CB-CB 4.4Å; R85-D180 PolarHBondContact N-OD1 2.65Å
86	D	93.4	Very high	88.3	Confident	95 Å²	95	67.2 Å²	67.2	51%	0.508	37%	0.368	S	S	.	.	H	α-helix	trans	-70.8	-38.6	-177.6	-61.5	-28.2	0	0	0	110.7	R83 F84 A89 A90	R83-D86 HydrophobicContact CB-CB 4.42Å; R83-D86 WeakPolarHBondContact CB-OD2 3.31Å; R83-D86 PolarHBondContact O-N 2.96Å; F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.24Å; D86-A89 PolarHBondContact O-N 3.22Å; D86-A90 WeakPolarHBondContact O-CB 3.48Å; D86-A90 PolarHBondContact O-N 3.25Å
87	A	92.9	Very high	88.9	Confident	20 Å²	20	62.3 Å²	62.3	17%	0.165	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-46.8	173	0	0	0	0	0	111.6	A77 R83 F84 A90 R91	A77-A87 HydrophobicContact CB-CB 3.59Å; R83-A87 PolarHBondContact O-N 2.86Å; F84-A87 WeakPolarHBondContact O-CB 3.43Å; F84-A87 PolarHBondContact O-N 3.15Å; A87-A90 PolarHBondContact O-N 2.82Å; A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.45Å; A87-R91 VanDerWaalsContact O-N 3.13Å
88	L	94.6	Very high	89.7	Confident	2 Å²	2	64 Å²	64	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.7	-179.7	61.6	0	0	0	111.4	I57 F84 R85 A90 R91 L92 F138 N159 F172	I57-L88 HydrophobicContact CD1-CD1 4.44Å; F84-L88 HydrophobicContact CE1-CB 4.5Å; F84-L88 HydrophobicContact CE1-CD2 4.16Å; F84-L88 WeakPolarHBondContact O-CB 3.46Å; F84-L88 PolarHBondContact O-N 3.31Å; R85-L88 PolarHBondContact O-N 2.89Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.9Å; L88-R91 PolarHBondContact O-N 2.99Å; L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 PolarHBondContact O-N 3.27Å; L88-L92 VanDerWaalsContact O-N 3.08Å; L88-F138 HydrophobicContact CD1-CE1 4.43Å; L88-F138 HydrophobicContact CD1-CE2 4.37Å; L88-F138 HydrophobicContact CD1-CZ 3.7Å; L88-N159 HydrophobicContact CD2-CB 4.48Å; L88-F172 HydrophobicContact CD2-CD2 3.97Å; L88-F172 HydrophobicContact CD2-CE2 3.65Å; L88-F172 HydrophobicContact CD2-CZ 4.05Å; L88-F172 HydrophobicContact CG-CE2 4.33Å; L88-F172 HydrophobicContact CG-CZ 4.28Å
89	A	95.6	Very high	90.9	Very high	29 Å²	29	61.9 Å²	61.9	24%	0.24	33%	0.332	C	S	.	.	H	α-helix	trans	-58.1	-46.1	177	0	0	0	0	0	111.4	R85 D86 R91 L92 Q93 F172	R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.41Å; D86-A89 PolarHBondContact O-N 3.22Å; A89-R91 PolarHBondContact O-N 2.86Å; A89-L92 PolarHBondContact O-N 2.91Å; A89-Q93 WeakPolarHBondContact O-CB 3.47Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.39Å; A89-Q93 PolarHBondContact O-N 2.76Å; A89-F172 HydrophobicContact CB-CE1 3.83Å; A89-F172 HydrophobicContact CB-CZ 4.39Å
90	A	94.8	Very high	92.1	Very high	38 Å²	38	60.9 Å²	60.9	31%	0.314	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-43.3	-179.1	0	0	0	0	0	112.3	V73 D86 A87 L88 Q93 V94	V73-A90 HydrophobicContact CG1-CB 3.49Å; V73-A90 VanDerWaalsContact CG1-CB 3.49Å; D86-A90 WeakPolarHBondContact O-CB 3.48Å; D86-A90 PolarHBondContact O-N 3.25Å; A87-A90 PolarHBondContact O-N 2.82Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.9Å; A90-Q93 PolarHBondContact O-N 3.14Å; A90-V94 PolarHBondContact O-N 3.27Å
91	R	96.1	Very high	93.8	Very high	39 Å²	39	61.2 Å²	61.2	15%	0.147	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-47.9	175.1	-63.9	-178.8	-45.8	176.1	12	111.5	I57 V70 V73 T74 A87 L88 A89 Q93 V94 M95	I57-R91 HydrophobicContact CD1-CB 3.95Å; I57-R91 VanDerWaalsContact CD1-CZ 3.43Å; I57-R91 VanDerWaalsContact CD1-NH2 3.28Å; V70-R91 HydrophobicContact CG1-CB 4.22Å; V70-R91 HydrophobicContact CG1-CG 4.16Å; V73-R91 HydrophobicContact CG1-CG 4.37Å; T74-R91 WeakPolarHBondContact OG1-CD 3.46Å; A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.45Å; A87-R91 VanDerWaalsContact O-N 3.13Å; L88-R91 PolarHBondContact O-N 2.99Å; A89-R91 PolarHBondContact O-N 2.86Å; R91-Q93 VanDerWaalsContact C-N 3.29Å; R91-Q93 PolarHBondContact O-N 3.21Å; R91-V94 WeakPolarHBondContact O-CB 3.3Å; R91-V94 PolarHBondContact O-N 2.92Å; R91-V94 VanDerWaalsContact O-N 3.14Å; R91-M95 WeakPolarHBondContact O-CG 3.47Å; R91-M95 PolarHBondContact O-N 3.29Å; R91-M95 VanDerWaalsContact O-N 3.08Å
92	L	96.6	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-32.9	178.4	-71.9	173	0	0	0	112.9	L88 A89 V94 M95 K96 F138 I161 Y169 F172	L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 PolarHBondContact O-N 3.27Å; L88-L92 VanDerWaalsContact O-N 3.08Å; A89-L92 PolarHBondContact O-N 2.91Å; L92-V94 VanDerWaalsContact C-N 3.28Å; L92-V94 PolarHBondContact O-N 3.2Å; L92-M95 HydrophobicContact CD2-CE 3.47Å; L92-M95 VanDerWaalsContact CD2-CE 3.47Å; L92-M95 PolarHBondContact O-N 3.06Å; L92-K96 PolarHBondContact O-N 3.49Å; L92-F138 HydrophobicContact CD1-CE1 4Å; L92-F138 HydrophobicContact CD1-CZ 3.69Å; L92-F138 HydrophobicContact CD2-CE1 4.12Å; L92-F138 HydrophobicContact CD2-CE2 3.78Å; L92-F138 HydrophobicContact CD2-CZ 3.3Å; L92-F138 HydrophobicContact CG-CZ 3.74Å; L92-I161 HydrophobicContact CD2-CD1 4.11Å; L92-I161 HydrophobicContact CD2-CG1 4.42Å; L92-Y169 HydrophobicContact CB-CE2 3.99Å; L92-Y169 WeakPolarHBondContact CB-OH 3.29Å; L92-Y169 HydrophobicContact CD1-CE2 4.36Å; L92-Y169 HydrophobicContact CD2-CE2 4.46Å; L92-F172 HydrophobicContact CD1-CB 3.79Å; L92-F172 HydrophobicContact CD1-CD1 3.44Å; L92-F172 VanDerWaalsContact CD1-CD1 3.44Å; L92-F172 HydrophobicContact CD1-CE1 4.21Å; L92-F172 HydrophobicContact CD1-CG 3.8Å
93	Q	95.9	Very high	95.6	Very high	102 Å²	102	53.3 Å²	53.3	48%	0.477	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-26	175.5	-72.8	-62.7	-5	0	0	113.4	A89 A90 R91 K96	A89-Q93 WeakPolarHBondContact O-CB 3.47Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.39Å; A89-Q93 PolarHBondContact O-N 2.76Å; A90-Q93 PolarHBondContact O-N 3.14Å; R91-Q93 VanDerWaalsContact C-N 3.29Å; R91-Q93 PolarHBondContact O-N 3.21Å; Q93-K96 WeakPolarHBondContact O-CE 3.48Å; Q93-K96 WeakPolarHBondContact O-CG 3.35Å
94	V	96.5	Very high	96	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-75.5	-43.2	170.4	173	0	0	0	0	110.4	V66 A69 V70 V73 A90 R91 L92	V66-V94 HydrophobicContact CB-CG1 4.41Å; A69-V94 HydrophobicContact CB-CG1 3.57Å; V70-V94 HydrophobicContact CG2-CB 4.23Å; V70-V94 HydrophobicContact CG2-CG1 3.89Å; V73-V94 HydrophobicContact CG2-CG2 3.89Å; A90-V94 PolarHBondContact O-N 3.27Å; R91-V94 WeakPolarHBondContact O-CB 3.3Å; R91-V94 PolarHBondContact O-N 2.92Å; R91-V94 VanDerWaalsContact O-N 3.14Å; L92-V94 VanDerWaalsContact C-N 3.28Å; L92-V94 PolarHBondContact O-N 3.2Å
95	M	97	Very high	96.2	Very high	12 Å²	12	49 Å²	49	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-74.2	-46.6	-176	-63.4	-171.7	-37.8	0	0	114.3	I57 L60 A61 L64 V66 V70 R91 L92 P97	I57-M95 HydrophobicContact CD1-CE 3.95Å; I57-M95 HydrophobicContact CD1-SD 4.35Å; I57-M95 HydrophobicContact CG1-CE 3.69Å; I57-M95 HydrophobicContact CG1-SD 3.79Å; L60-M95 HydrophobicContact CD2-CE 4.09Å; A61-M95 HydrophobicContact CB-CG 4.22Å; A61-M95 HydrophobicContact CB-SD 3.76Å; L64-M95 HydrophobicContact CD1-CB 3.96Å; L64-M95 HydrophobicContact CD1-CG 4.49Å; V66-M95 HydrophobicContact CG2-CB 4.46Å; V66-M95 HydrophobicContact CG2-CG 4.06Å; V70-M95 HydrophobicContact CG2-CG 3.42Å; V70-M95 VanDerWaalsContact CG2-CG 3.42Å; V70-M95 HydrophobicContact CG2-SD 4.12Å; R91-M95 WeakPolarHBondContact O-CG 3.47Å; R91-M95 PolarHBondContact O-N 3.29Å; R91-M95 VanDerWaalsContact O-N 3.08Å; L92-M95 HydrophobicContact CD2-CE 3.47Å; L92-M95 VanDerWaalsContact CD2-CE 3.47Å; L92-M95 PolarHBondContact O-N 3.06Å; M95-P97 VanDerWaalsContact C-N 3.3Å
96	K	96.9	Very high	96.2	Very high	120 Å²	120	46.8 Å²	46.8	52%	0.522	24%	0.239	S	C	.	.			trans	37.9	53.7	-172.5	-63	-178.5	173.2	174	0	113.3	L92 Q93 N98 Y169	L92-K96 PolarHBondContact O-N 3.49Å; Q93-K96 WeakPolarHBondContact O-CE 3.48Å; Q93-K96 WeakPolarHBondContact O-CG 3.35Å; K96-N98 PolarHBondContact O-N 3.44Å; K96-Y169 HydrophobicContact CB-CD1 4.08Å; K96-Y169 HydrophobicContact CB-CG 4.23Å; K96-Y169 HydrophobicContact CG-CD1 3.74Å; K96-Y169 HydrophobicContact CG-CE1 4.23Å; K96-Y169 HydrophobicContact CG-CG 4.38Å
97	P	97.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.			trans	-58.6	137.1	179.5	26.3	-33.2	0	0	0	109.4	L60 L64 M95 I161 F163 Y169	L60-P97 HydrophobicContact CD2-CG 4.44Å; L64-P97 HydrophobicContact CD1-CB 4Å; M95-P97 VanDerWaalsContact C-N 3.3Å; P97-I161 HydrophobicContact CG-CD1 4.1Å; P97-F163 WeakPolarHBondContact O-CE1 3.38Å; P97-Y169 WeakPolarHBondContact O-CB 3.4Å
98	N	97.9	Very high	96.2	Very high	52 Å²	52	52.4 Å²	52.4	28%	0.278	27%	0.265	S	S	.	.			trans	-84.4	165.5	163.9	76.3	43.6	0	0	0	110.3	K96 E100 Q101 L102 F163 G167	K96-N98 PolarHBondContact O-N 3.44Å; N98-E100 VanDerWaalsContact C-N 3.34Å; N98-E100 PolarHBondContact O-N 3.5Å; N98-E100 WeakPolarHBondContact OD1-CB 3.38Å; N98-E100 PolarHBondContact OD1-N 2.97Å; N98-Q101 VanDerWaalsContact CG-OE1 3.26Å; N98-Q101 VanDerWaalsContact ND2-CD 3.34Å; N98-Q101 PolarHBondContact ND2-OE1 3.33Å; N98-Q101 PolarHBondContact O-N 2.86Å; N98-Q101 WeakPolarHBondContact OD1-CG 3.46Å; N98-Q101 PolarHBondContact OD1-N 2.99Å; N98-L102 PolarHBondContact O-N 2.95Å; N98-L102 VanDerWaalsContact O-N 3.11Å; N98-F163 VanDerWaalsContact C-CE1 3.41Å; N98-G167 CarbonylContact C-O 3.56Å; N98-G167 WeakPolarHBondContact CA-O 3.32Å; N98-G167 WeakPolarHBondContact CB-O 3.17Å
99	H	97.9	Very high	95.9	Very high	87 Å²	87	54.2 Å²	54.2	40%	0.403	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-44.6	-176.2	179	-78.7	0	0	0	111.6	Q101 L102 E103 F163 G167	H99-Q101 PolarHBondContact O-N 3.16Å; H99-L102 PolarHBondContact O-N 2.95Å; H99-E103 VanDerWaalsContact CE1-CG 3.4Å; H99-E103 WeakPolarHBondContact CE1-CG 3.16Å; H99-E103 WeakPolarHBondContact O-CG 3.32Å; H99-E103 PolarHBondContact O-N 2.96Å; H99-F163 HydrophobicContact CB-CD1 3.89Å; H99-F163 HydrophobicContact CB-CD2 4.13Å; H99-F163 HydrophobicContact CB-CE1 4.07Å; H99-F163 HydrophobicContact CB-CE2 4.3Å; H99-F163 HydrophobicContact CB-CG 3.92Å; H99-F163 HydrophobicContact CB-CZ 4.26Å; H99-F163 AromaticContact CD2-CD2 3.83Å; H99-G167 PolarHBondContact N-O 3.2Å
100	E	97.8	Very high	95.6	Very high	123 Å²	123	61.8 Å²	61.8	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-42.5	-179.9	-174.5	-178.8	-176.8	0	0	112.1	N98 L102 E103 Q104	N98-E100 VanDerWaalsContact C-N 3.34Å; N98-E100 PolarHBondContact O-N 3.5Å; N98-E100 WeakPolarHBondContact OD1-CB 3.38Å; N98-E100 PolarHBondContact OD1-N 2.97Å; E100-L102 PolarHBondContact O-N 2.85Å; E100-E103 PolarHBondContact O-N 3.48Å; E100-Q104 HydrophobicContact CG-CG 4.34Å; E100-Q104 WeakPolarHBondContact O-CB 3.5Å; E100-Q104 VanDerWaalsContact O-CG 3.23Å; E100-Q104 WeakPolarHBondContact O-CG 3.35Å; E100-Q104 PolarHBondContact O-N 3.33Å; E100-Q104 PolarHBondContact OE1-NE2 3.19Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.11Å
101	Q	97.8	Very high	95.3	Very high	62 Å²	62	61.5 Å²	61.5	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.7	-73	170.8	-42	0	0	111.8	Y63 L64 N98 H99 F105	Y63-Q101 HydrophobicContact CE1-CB 4.44Å; L64-Q101 HydrophobicContact CD2-CB 3.99Å; L64-Q101 HydrophobicContact CD2-CG 4.18Å; N98-Q101 VanDerWaalsContact CG-OE1 3.26Å; N98-Q101 VanDerWaalsContact ND2-CD 3.34Å; N98-Q101 PolarHBondContact ND2-OE1 3.33Å; N98-Q101 PolarHBondContact O-N 2.86Å; N98-Q101 WeakPolarHBondContact OD1-CG 3.46Å; N98-Q101 PolarHBondContact OD1-N 2.99Å; H99-Q101 PolarHBondContact O-N 3.16Å; Q101-F105 VanDerWaalsContact O-CB 3.28Å; Q101-F105 WeakPolarHBondContact O-CB 3.38Å; Q101-F105 PolarHBondContact O-N 3.39Å
102	L	97.1	Very high	95.3	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-45.8	176.4	-179.9	62.6	0	0	0	111	L60 N98 H99 E100 F105 V106 R140 L141 I161 F163	L60-L102 HydrophobicContact CD1-CD1 4.47Å; L60-L102 HydrophobicContact CD2-CD1 4.07Å; N98-L102 PolarHBondContact O-N 2.95Å; N98-L102 VanDerWaalsContact O-N 3.11Å; H99-L102 PolarHBondContact O-N 2.95Å; E100-L102 PolarHBondContact O-N 2.85Å; L102-F105 PolarHBondContact O-N 3.2Å; L102-V106 HydrophobicContact CD1-CG2 4.33Å; L102-V106 WeakPolarHBondContact O-CB 3.48Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 2.79Å; L102-R140 HydrophobicContact CD2-CB 4.04Å; L102-R140 HydrophobicContact CD2-CG 3.99Å; L102-R140 HydrophobicContact CG-CB 4.48Å; L102-R140 HydrophobicContact CG-CG 4.12Å; L102-L141 HydrophobicContact CD1-CD2 3.6Å; L102-L141 HydrophobicContact CD1-CG 4.41Å; L102-I161 HydrophobicContact CD2-CD1 4.3Å; L102-F163 HydrophobicContact CB-CZ 4.34Å; L102-F163 HydrophobicContact CD2-CE2 4.02Å; L102-F163 HydrophobicContact CD2-CZ 3.72Å
103	E	96.6	Very high	95.4	Very high	43 Å²	43	65.6 Å²	65.6	20%	0.201	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-46.2	177.2	-70.8	-59.2	131.1	0	0	112.3	H99 E100 F105 V106 N107 R140	H99-E103 VanDerWaalsContact CE1-CG 3.4Å; H99-E103 WeakPolarHBondContact CE1-CG 3.16Å; H99-E103 WeakPolarHBondContact O-CG 3.32Å; H99-E103 PolarHBondContact O-N 2.96Å; E100-E103 PolarHBondContact O-N 3.48Å; E103-F105 PolarHBondContact O-N 3.37Å; E103-V106 PolarHBondContact O-N 2.91Å; E103-N107 WeakPolarHBondContact O-CB 3.21Å; E103-N107 PolarHBondContact O-N 3.16Å; E103-N107 PolarHBondContact O-ND2 3.03Å; E103-N107 VanDerWaalsContact O-ND2 3.08Å; E103-R140 IonicContact OE1-CZ 3.58Å; E103-R140 IonicContact OE1-NE 3.57Å; E103-R140 PolarHBondContact OE1-NE 2.86Å; E103-R140 IonicContact OE1-NH2 3.62Å; E103-R140 PolarHBondContact OE1-NH2 2.72Å; E103-R140 IonicContact OE2-CZ 2.75Å; E103-R140 IonicContact OE2-NE 2.75Å; E103-R140 IonicContact OE2-NH2 2.65Å; E103-R140 PolarHBondContact OE2-NH2 2.85Å
104	Q	97.1	Very high	95.5	Very high	76 Å²	76	61.1 Å²	61.1	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-48.4	176.3	-75.2	173.7	-3.2	0	0	110.8	Y63 E100 V106 N107 I108	Y63-Q104 PolarHBondContact OH-OE1 3.01Å; E100-Q104 HydrophobicContact CG-CG 4.34Å; E100-Q104 WeakPolarHBondContact O-CB 3.5Å; E100-Q104 VanDerWaalsContact O-CG 3.23Å; E100-Q104 WeakPolarHBondContact O-CG 3.35Å; E100-Q104 PolarHBondContact O-N 3.33Å; E100-Q104 PolarHBondContact OE1-NE2 3.19Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.11Å; Q104-V106 VanDerWaalsContact C-N 3.35Å; Q104-V106 PolarHBondContact O-N 2.82Å; Q104-N107 PolarHBondContact O-N 3.38Å; Q104-I108 WeakPolarHBondContact O-CG1 3.45Å; Q104-I108 WeakPolarHBondContact O-CG2 3.46Å; Q104-I108 PolarHBondContact O-N 2.88Å
105	F	96.4	Very high	95.6	Very high	16 Å²	16	64.2 Å²	64.2	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-48.6	177.3	175.8	-104.7	0	0	0	111.7	E59 L60 Y63 Q101 L102 E103 N107 I108 S109 L141	E59-F105 HydrophobicContact CB-CE2 4.28Å; E59-F105 HydrophobicContact CB-CZ 3.71Å; L60-F105 HydrophobicContact CB-CD1 4.32Å; L60-F105 HydrophobicContact CB-CE1 4.06Å; L60-F105 HydrophobicContact CB-CZ 4.29Å; L60-F105 HydrophobicContact CD1-CB 3.99Å; L60-F105 HydrophobicContact CD1-CD1 3.82Å; L60-F105 HydrophobicContact CD1-CD2 4.36Å; L60-F105 HydrophobicContact CD1-CE1 4.42Å; L60-F105 HydrophobicContact CD1-CG 3.78Å; Y63-F105 HydrophobicContact CD1-CB 3.82Å; Y63-F105 AromaticContact CD1-CD2 3.91Å; Y63-F105 HydrophobicContact CD1-CD2 3.91Å; Y63-F105 HydrophobicContact CD1-CG 4.22Å; Y63-F105 HydrophobicContact CD2-CD2 4.07Å; Y63-F105 HydrophobicContact CE1-CB 3.92Å; Y63-F105 HydrophobicContact CG-CB 4.28Å; Y63-F105 AromaticContact CG-CD2 3.55Å; Y63-F105 HydrophobicContact CG-CD2 3.55Å; Y63-F105 HydrophobicContact CG-CE2 4.36Å; Y63-F105 HydrophobicContact CG-CG 4.32Å; Q101-F105 VanDerWaalsContact O-CB 3.28Å; Q101-F105 WeakPolarHBondContact O-CB 3.38Å; Q101-F105 PolarHBondContact O-N 3.39Å; L102-F105 PolarHBondContact O-N 3.2Å; E103-F105 PolarHBondContact O-N 3.37Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 2.86Å; F105-I108 WeakPolarHBondContact O-CG1 3.45Å; F105-I108 PolarHBondContact O-N 3.27Å; F105-S109 WeakPolarHBondContact CD2-OG 3.36Å; F105-S109 WeakPolarHBondContact CE2-OG 3.39Å; F105-S109 WeakPolarHBondContact CZ-OG 3.29Å; F105-S109 WeakPolarHBondContact O-CB 3.31Å; F105-S109 PolarHBondContact O-N 2.87Å; F105-S109 PolarHBondContact O-OG 2.92Å; F105-L141 HydrophobicContact CD1-CD2 3.69Å; F105-L141 HydrophobicContact CE1-CD2 3.71Å
106	V	94.8	Very high	95.7	Very high	13 Å²	13	64.3 Å²	64.3	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-34.2	-179.8	169.2	0	0	0	0	112.1	L102 E103 Q104 R140 L141 P144	L102-V106 HydrophobicContact CD1-CG2 4.33Å; L102-V106 WeakPolarHBondContact O-CB 3.48Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 2.79Å; E103-V106 PolarHBondContact O-N 2.91Å; Q104-V106 VanDerWaalsContact C-N 3.35Å; Q104-V106 PolarHBondContact O-N 2.82Å; V106-R140 HydrophobicContact CG2-CG 4.12Å; V106-L141 HydrophobicContact CG2-CD2 3.65Å; V106-P144 HydrophobicContact CG1-CG 3.74Å
107	N	93.4	Very high	95.8	Very high	121 Å²	121	58.6 Å²	58.6	65%	0.647	30%	0.298	S	S	*	.	H	α-helix	trans	-75.5	-32.8	180	-72.1	-29.6	0	0	0	113.4	E103 Q104 F105	E103-N107 WeakPolarHBondContact O-CB 3.21Å; E103-N107 PolarHBondContact O-N 3.16Å; E103-N107 PolarHBondContact O-ND2 3.03Å; E103-N107 VanDerWaalsContact O-ND2 3.08Å; Q104-N107 PolarHBondContact O-N 3.38Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 2.86Å
108	I	93	Very high	95.8	Very high	111 Å²	111	64.1 Å²	64.1	57%	0.569	32%	0.319	S	S	*	.	H	α-helix	trans	-91.4	-27.7	-179.2	70	-179.6	0	0	0	112.7	Y63 Q104 F105	Y63-I108 HydrophobicContact CD2-CD1 4.06Å; Y63-I108 HydrophobicContact CE2-CD1 3.56Å; Q104-I108 WeakPolarHBondContact O-CG1 3.45Å; Q104-I108 WeakPolarHBondContact O-CG2 3.46Å; Q104-I108 PolarHBondContact O-N 2.88Å; F105-I108 WeakPolarHBondContact O-CG1 3.45Å; F105-I108 PolarHBondContact O-N 3.27Å
109	S	88.1	Confident	95.9	Very high	41 Å²	41	66.6 Å²	66.6	29%	0.287	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-81.8	130.5	-174.8	-57.6	0	0	0	0	110.4	F105	F105-S109 WeakPolarHBondContact CD2-OG 3.36Å; F105-S109 WeakPolarHBondContact CE2-OG 3.39Å; F105-S109 WeakPolarHBondContact CZ-OG 3.29Å; F105-S109 WeakPolarHBondContact O-CB 3.31Å; F105-S109 PolarHBondContact O-N 2.87Å; F105-S109 PolarHBondContact O-OG 2.92Å
110	K	88	Confident	95.9	Very high	187 Å²	187	62.4 Å²	62.4	81%	0.813	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-100.6	122.8	172.9	-67.6	-175	179.8	-179.2	0	108.5	K112	K110-K112 PolarHBondContact O-N 3.44Å
111	P	89.4	Confident	95.9	Very high	32 Å²	32	56.6 Å²	56.6	21%	0.208	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-55.8	130	174.3	-26.2	34	0	0	0	111.9	L113 P144 V145 L148	P111-L113 PolarHBondContact O-N 2.88Å; P111-L113 VanDerWaalsContact O-N 3.15Å; P111-P144 HydrophobicContact CG-CB 3.86Å; P111-V145 HydrophobicContact CB-CG2 3.81Å; P111-V145 HydrophobicContact CG-CG2 3.84Å; P111-L148 HydrophobicContact CB-CD1 4.25Å; P111-L148 HydrophobicContact CG-CD1 4.07Å
112	K	95.9	Very high	96	Very high	91 Å²	91	57.2 Å²	57.2	40%	0.396	29%	0.294	S	S	.	.			trans	-85.5	82.5	174.4	-59.7	-175.4	-157.7	100.4	0	108.4	C52 Q53 D54 E59 K110 T114	C52-K112 CarbonylContact C-O 3.5Å; C52-K112 WeakPolarHBondContact CA-O 3.42Å; Q53-K112 HydrophobicContact CB-CB 4.22Å; Q53-K112 WeakPolarHBondContact CG-O 3.39Å; Q53-K112 PolarHBondContact N-O 2.84Å; D54-K112 WeakPolarHBondContact OD2-CG 3.44Å; D54-K112 IonicContact OD2-NZ 3.1Å; D54-K112 PolarHBondContact OD2-NZ 2.86Å; E59-K112 IonicContact OE1-NZ 2.57Å; E59-K112 IonicContact OE2-NZ 2.69Å; E59-K112 PolarHBondContact OE2-NZ 2.8Å; K110-K112 PolarHBondContact O-N 3.44Å; K112-T114 PolarHBondContact O-N 2.88Å
113	L	98.3	Very high	96	Very high	34 Å²	34	61.1 Å²	61.1	18%	0.178	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-59.5	136.5	178.3	-63.8	-178.7	0	0	0	110.8	V51 Q53 P111 I117 V145 L148 L149	V51-L113 HydrophobicContact CG1-CD2 4.23Å; Q53-L113 PolarHBondContact NE2-O 2.87Å; P111-L113 PolarHBondContact O-N 2.88Å; P111-L113 VanDerWaalsContact O-N 3.15Å; L113-I117 HydrophobicContact CB-CG2 3.93Å; L113-I117 HydrophobicContact CD2-CG2 4.41Å; L113-V145 HydrophobicContact CD2-CG1 3.84Å; L113-L148 HydrophobicContact CD1-CB 4.18Å; L113-L148 HydrophobicContact CD1-CD1 4.28Å; L113-L148 HydrophobicContact CG-CD1 4.49Å; L113-L149 HydrophobicContact CD1-CD2 4.02Å; L113-L149 HydrophobicContact CD2-CD1 4.43Å; L113-L149 HydrophobicContact CD2-CG 4.47Å
114	T	98.8	Very high	96.1	Very high	9 Å²	9	59 Å²	59	6%	0.055	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.3	138.7	172.5	-56.6	0	0	0	0	110.1	T50 V51 K112 G116 I117 F226 N229 F246	T50-T114 VanDerWaalsContact O-CB 3.3Å; T50-T114 WeakPolarHBondContact O-CB 3.47Å; T50-T114 PolarHBondContact O-OG1 2.76Å; V51-T114 PolarHBondContact O-N 2.83Å; V51-T114 PolarHBondContact O-OG1 2.71Å; K112-T114 PolarHBondContact O-N 2.88Å; T114-G116 PolarHBondContact O-N 3.05Å; T114-I117 WeakPolarHBondContact O-CG2 3.47Å; T114-I117 PolarHBondContact O-N 3.06Å; T114-F226 HydrophobicContact CG2-CE1 3.9Å; T114-F226 HydrophobicContact CG2-CZ 3.61Å; T114-N229 PolarHBondContact OG1-ND2 2.75Å; T114-F246 HydrophobicContact CG2-CD2 3.79Å; T114-F246 HydrophobicContact CG2-CE2 3.53Å
115	V	98.4	Very high	96.2	Very high	115 Å²	115	58.4 Å²	58.4	70%	0.697	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133	-178.4	179.9	0	0	0	0	110.4	I117	V115-I117 PolarHBondContact O-N 2.77Å
116	G	98.4	Very high	96.3	Very high	14 Å²	14	61.2 Å²	61.2	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-13.2	179.1	0	0	0	0	0	115.7	T114 R118 E119 L120	T114-G116 PolarHBondContact O-N 3.05Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 2.88Å; G116-E119 VanDerWaalsContact C-OE2 3.25Å; G116-E119 WeakPolarHBondContact CA-OE2 3.31Å; G116-E119 PolarHBondContact O-N 2.98Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 PolarHBondContact O-N 2.98Å
117	I	98.8	Very high	96.4	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-34.7	-176.5	-167.4	52.8	0	0	0	112.6	F45 V51 L113 T114 V115 L120 V121 L149 F246	F45-I117 HydrophobicContact CD1-CD1 4.27Å; F45-I117 HydrophobicContact CE1-CD1 4.04Å; F45-I117 HydrophobicContact CZ-CD1 4.37Å; V51-I117 HydrophobicContact CB-CG1 4.36Å; V51-I117 HydrophobicContact CG1-CG1 4.1Å; V51-I117 HydrophobicContact CG2-CD1 4.15Å; V51-I117 HydrophobicContact CG2-CG1 4.06Å; L113-I117 HydrophobicContact CB-CG2 3.93Å; L113-I117 HydrophobicContact CD2-CG2 4.41Å; T114-I117 WeakPolarHBondContact O-CG2 3.47Å; T114-I117 PolarHBondContact O-N 3.06Å; V115-I117 PolarHBondContact O-N 2.77Å; I117-L120 HydrophobicContact CD1-CD2 4.24Å; I117-L120 PolarHBondContact O-N 3.49Å; I117-V121 HydrophobicContact CD1-CG2 4.03Å; I117-V121 HydrophobicContact CG1-CG2 4.25Å; I117-V121 WeakPolarHBondContact O-CB 2.9Å; I117-V121 WeakPolarHBondContact O-CG2 3.45Å; I117-V121 PolarHBondContact O-N 3.31Å; I117-L149 HydrophobicContact CG1-CD1 4.49Å; I117-L149 HydrophobicContact CG2-CD2 4.21Å; I117-F246 HydrophobicContact CB-CD2 3.75Å; I117-F246 HydrophobicContact CB-CE2 3.84Å; I117-F246 HydrophobicContact CD1-CD1 4.28Å; I117-F246 HydrophobicContact CD1-CD2 4.03Å; I117-F246 HydrophobicContact CD1-CE1 4.07Å; I117-F246 HydrophobicContact CD1-CE2 3.79Å; I117-F246 HydrophobicContact CD1-CG 4.28Å; I117-F246 HydrophobicContact CD1-CZ 3.82Å; I117-F246 HydrophobicContact CG1-CD2 4.36Å; I117-F246 HydrophobicContact CG1-CE2 4.1Å
118	R	98.6	Very high	96.6	Very high	116 Å²	116	62.2 Å²	62.2	44%	0.438	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-44.3	179.4	-178.4	-178.2	-83.5	-78.4	-1.3	110.4	G116 S122 L148 L149	G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 2.88Å; R118-S122 VanDerWaalsContact O-CB 3.26Å; R118-S122 WeakPolarHBondContact O-CB 3.38Å; R118-S122 PolarHBondContact O-N 2.97Å; R118-L148 PolarHBondContact NH1-O 2.85Å; R118-L148 PolarHBondContact NH2-O 3.44Å; R118-L149 HydrophobicContact CB-CD2 4.23Å
119	E	98.6	Very high	96.9	Very high	103 Å²	103	57.5 Å²	57.5	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-42.3	178.2	-63.9	74	-165.8	0	0	111.1	G116 S122 R123	G116-E119 VanDerWaalsContact C-OE2 3.25Å; G116-E119 WeakPolarHBondContact CA-OE2 3.31Å; G116-E119 PolarHBondContact O-N 2.98Å; E119-S122 PolarHBondContact O-N 3.34Å; E119-R123 WeakPolarHBondContact O-CB 3.44Å; E119-R123 PolarHBondContact O-N 3.28Å
120	L	98.8	Very high	97.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-51.3	176	173	57.3	0	0	0	112	W37 F45 G116 I117 S122 R123 L124 F246 L249 R250 L253	W37-L120 HydrophobicContact CH2-CD1 4.12Å; W37-L120 HydrophobicContact CZ2-CD1 3.76Å; F45-L120 HydrophobicContact CE1-CD2 4.01Å; F45-L120 HydrophobicContact CZ-CD2 3.86Å; F45-L120 HydrophobicContact CZ-CG 4.34Å; G116-L120 WeakPolarHBondContact O-CB 3.41Å; G116-L120 PolarHBondContact O-N 2.98Å; I117-L120 HydrophobicContact CD1-CD2 4.24Å; I117-L120 PolarHBondContact O-N 3.49Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.03Å; L120-R123 PolarHBondContact O-N 3.41Å; L120-R123 VanDerWaalsContact O-N 3.12Å; L120-L124 HydrophobicContact CD1-CD1 4.18Å; L120-L124 HydrophobicContact CD1-CG 4.24Å; L120-L124 HydrophobicContact CG-CD1 4.23Å; L120-L124 WeakPolarHBondContact O-CG 3.45Å; L120-L124 PolarHBondContact O-N 2.71Å; L120-F246 HydrophobicContact CB-CB 4.44Å; L120-F246 HydrophobicContact CD2-CB 4.06Å; L120-F246 HydrophobicContact CD2-CD1 3.49Å; L120-F246 VanDerWaalsContact CD2-CD1 3.49Å; L120-F246 HydrophobicContact CD2-CE1 4.22Å; L120-F246 HydrophobicContact CD2-CG 4.01Å; L120-L249 HydrophobicContact CD1-CB 4.16Å; L120-L249 HydrophobicContact CD2-CB 4.06Å; L120-L249 HydrophobicContact CD2-CD1 4.08Å; L120-R250 HydrophobicContact CB-CB 4.45Å; L120-R250 HydrophobicContact CD1-CB 4.18Å; L120-L253 HydrophobicContact CD1-CD1 3.94Å
121	V	98.8	Very high	97.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-40.9	178.9	171.5	0	0	0	0	110.9	I117 R123 L124 H125 V131 L149 I151	I117-V121 HydrophobicContact CD1-CG2 4.03Å; I117-V121 HydrophobicContact CG1-CG2 4.25Å; I117-V121 WeakPolarHBondContact O-CB 2.9Å; I117-V121 WeakPolarHBondContact O-CG2 3.45Å; I117-V121 PolarHBondContact O-N 3.31Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 2.9Å; V121-L124 PolarHBondContact O-N 3.3Å; V121-H125 VanDerWaalsContact CG1-CE1 3.48Å; V121-H125 WeakPolarHBondContact CG1-CE1 3.37Å; V121-H125 PolarHBondContact O-N 3.26Å; V121-V131 HydrophobicContact CG1-CG1 4.43Å; V121-V131 HydrophobicContact CG1-CG2 4.37Å; V121-V131 HydrophobicContact CG2-CG1 4.3Å; V121-L149 HydrophobicContact CG1-CB 4.23Å; V121-L149 HydrophobicContact CG2-CD1 4.44Å; V121-I151 HydrophobicContact CG1-CD1 4.29Å; V121-I151 HydrophobicContact CG1-CG1 4.22Å
122	S	98.6	Very high	98.3	Very high	75 Å²	75	48.3 Å²	48.3	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-41	174.3	-179.6	0	0	0	0	112	R118 E119 L120 H125 A126	R118-S122 VanDerWaalsContact O-CB 3.26Å; R118-S122 WeakPolarHBondContact O-CB 3.38Å; R118-S122 PolarHBondContact O-N 2.97Å; E119-S122 PolarHBondContact O-N 3.34Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.03Å; S122-H125 PolarHBondContact O-N 3.44Å; S122-A126 WeakPolarHBondContact O-CB 3.25Å; S122-A126 PolarHBondContact O-N 3.36Å
123	R	98.4	Very high	98.5	Very high	84 Å²	84	44 Å²	44	32%	0.317	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-41.4	176.9	-175.4	56.3	176	145.9	-1.1	112.3	E119 L120 V121 A126 R127 R250 L253 D254	E119-R123 WeakPolarHBondContact O-CB 3.44Å; E119-R123 PolarHBondContact O-N 3.28Å; L120-R123 PolarHBondContact O-N 3.41Å; L120-R123 VanDerWaalsContact O-N 3.12Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 2.9Å; R123-A126 PolarHBondContact O-N 3.13Å; R123-R127 WeakPolarHBondContact O-CG 3.44Å; R123-R127 PolarHBondContact O-N 2.69Å; R123-R127 VanDerWaalsContact O-N 3.15Å; R123-R250 HydrophobicContact CB-CG 4.17Å; R123-R250 HydrophobicContact CG-CG 4.4Å; R123-L253 HydrophobicContact CB-CD1 4.48Å; R123-L253 HydrophobicContact CG-CB 4.41Å; R123-L253 HydrophobicContact CG-CD1 3.97Å; R123-D254 IonicContact CZ-OD1 2.86Å; R123-D254 IonicContact NE-OD1 2.8Å; R123-D254 PolarHBondContact NE-OD1 2.91Å; R123-D254 IonicContact NH2-OD1 3.6Å; R123-D254 PolarHBondContact NH2-OD1 3.46Å
124	L	98.6	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-45.7	174.8	-71.1	168.6	0	0	0	111.3	W37 V43 F45 L120 V121 A126 R127 G128 T129 V131 L253	W37-L124 HydrophobicContact CH2-CD1 4.11Å; W37-L124 HydrophobicContact CH2-CD2 4.01Å; W37-L124 HydrophobicContact CZ2-CD2 4.26Å; V43-L124 HydrophobicContact CB-CD1 4.34Å; V43-L124 HydrophobicContact CG2-CD1 4.27Å; V43-L124 HydrophobicContact CG2-CD2 4.02Å; F45-L124 HydrophobicContact CE2-CD1 3.75Å; F45-L124 HydrophobicContact CZ-CD1 3.87Å; L120-L124 HydrophobicContact CD1-CD1 4.18Å; L120-L124 HydrophobicContact CD1-CG 4.24Å; L120-L124 HydrophobicContact CG-CD1 4.23Å; L120-L124 WeakPolarHBondContact O-CG 3.45Å; L120-L124 PolarHBondContact O-N 2.71Å; V121-L124 PolarHBondContact O-N 3.3Å; L124-A126 PolarHBondContact O-N 3.12Å; L124-R127 WeakPolarHBondContact O-CB 3.43Å; L124-R127 PolarHBondContact O-N 3.34Å; L124-R127 VanDerWaalsContact O-N 3.11Å; L124-G128 PolarHBondContact O-N 3.19Å; L124-T129 HydrophobicContact CD2-CG2 3.99Å; L124-T129 WeakPolarHBondContact O-CB 3.33Å; L124-T129 PolarHBondContact O-N 3.12Å; L124-V131 HydrophobicContact CB-CG2 3.77Å; L124-V131 HydrophobicContact CD1-CG2 3.94Å; L124-L253 HydrophobicContact CD2-CD1 3.65Å; L124-L253 HydrophobicContact CD2-CD2 4.29Å; L124-L253 HydrophobicContact CG-CD1 4.04Å
125	H	98.3	Very high	98.5	Very high	63 Å²	63	42 Å²	42	29%	0.292	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-42.4	174.7	-70.3	167.3	0	0	0	112.4	V121 S122 R127 G128 L149 G150	V121-H125 VanDerWaalsContact CG1-CE1 3.48Å; V121-H125 WeakPolarHBondContact CG1-CE1 3.37Å; V121-H125 PolarHBondContact O-N 3.26Å; S122-H125 PolarHBondContact O-N 3.44Å; H125-R127 PolarHBondContact O-N 3.3Å; H125-G128 PolarHBondContact O-N 3.12Å; H125-L149 PolarHBondContact CE1-O 2.91Å; H125-G150 PolarHBondContact CE1-O 3.48Å
126	A	98.1	Very high	98.3	Very high	74 Å²	74	37.3 Å²	37.3	61%	0.612	21%	0.206	S	C	*	.	H	α-helix	trans	-62.7	-23.8	177.3	0	0	0	0	0	113.2	S122 R123 L124	S122-A126 WeakPolarHBondContact O-CB 3.25Å; S122-A126 PolarHBondContact O-N 3.36Å; R123-A126 PolarHBondContact O-N 3.13Å; L124-A126 PolarHBondContact O-N 3.12Å
127	R	97.2	Very high	98.2	Very high	100 Å²	100	36.9 Å²	36.9	38%	0.377	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.7	174.1	-65.8	170.6	65.3	80.8	3.2	113.3	R38 R123 L124 H125 T129 L253	R38-R127 PolarHBondContact O-NH2 3.44Å; R123-R127 WeakPolarHBondContact O-CG 3.44Å; R123-R127 PolarHBondContact O-N 2.69Å; R123-R127 VanDerWaalsContact O-N 3.15Å; L124-R127 WeakPolarHBondContact O-CB 3.43Å; L124-R127 PolarHBondContact O-N 3.34Å; L124-R127 VanDerWaalsContact O-N 3.11Å; H125-R127 PolarHBondContact O-N 3.3Å; R127-T129 VanDerWaalsContact C-N 3.26Å; R127-T129 PolarHBondContact O-N 3.28Å; R127-L253 PolarHBondContact NH1-O 2.63Å
128	G	97.6	Very high	98.2	Very high	56 Å²	56	37 Å²	37	58%	0.577	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	9.4	-174	0	0	0	0	0	114.2	L124 H125	L124-G128 PolarHBondContact O-N 3.19Å; H125-G128 PolarHBondContact O-N 3.12Å
129	T	98.5	Very high	98.1	Very high	11 Å²	11	34 Å²	34	7%	0.067	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-72.1	130.3	176.5	-58.5	0	0	0	0	110	A40 V43 L124 R127	A40-T129 HydrophobicContact CB-CG2 4.48Å; A40-T129 WeakPolarHBondContact O-CG2 3.09Å; A40-T129 PolarHBondContact O-OG1 2.89Å; A40-T129 VanDerWaalsContact O-OG1 3.09Å; V43-T129 HydrophobicContact CG2-CG2 3.82Å; L124-T129 HydrophobicContact CD2-CG2 3.99Å; L124-T129 WeakPolarHBondContact O-CB 3.33Å; L124-T129 PolarHBondContact O-N 3.12Å; R127-T129 VanDerWaalsContact C-N 3.26Å; R127-T129 PolarHBondContact O-N 3.28Å
130	H	98.8	Very high	98	Very high	66 Å²	66	32 Å²	32	31%	0.306	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.2	177.1	-68.6	155.1	0	0	0	111.3	D41 A42 V43 Y132 Y201	D41-H130 PolarHBondContact O-N 2.98Å; A42-H130 CarbonylContact C-O 3.59Å; A42-H130 WeakPolarHBondContact CA-O 3.22Å; A42-H130 HydrophobicContact CB-CB 4.23Å; A42-H130 WeakPolarHBondContact CB-O 3.44Å; V43-H130 PolarHBondContact N-O 3.14Å; H130-Y132 HydrophobicContact CB-CD2 4.49Å; H130-Y132 HydrophobicContact CB-CE2 3.77Å; H130-Y201 AromaticContact ND1-CE1 3.53Å; H130-Y201 AromaticContact ND1-CZ 3.51Å; H130-Y201 PolarHBondContact ND1-OH 2.93Å
131	V	98.9	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.7	179.6	-175.6	0	0	0	0	110.3	V43 F45 V121 L124 I151 R155	V43-V131 WeakPolarHBondContact O-CA 3.35Å; F45-V131 HydrophobicContact CD2-CG1 3.74Å; F45-V131 HydrophobicContact CE2-CG1 3.87Å; V121-V131 HydrophobicContact CG1-CG1 4.43Å; V121-V131 HydrophobicContact CG1-CG2 4.37Å; V121-V131 HydrophobicContact CG2-CG1 4.3Å; L124-V131 HydrophobicContact CB-CG2 3.77Å; L124-V131 HydrophobicContact CD1-CG2 3.94Å; V131-I151 HydrophobicContact CB-CD1 4.37Å; V131-I151 HydrophobicContact CB-CG1 4.37Å; V131-I151 HydrophobicContact CG1-CD1 3.67Å; V131-I151 HydrophobicContact CG1-CG1 4.2Å; V131-R155 VanDerWaalsContact O-CD 3.22Å; V131-R155 WeakPolarHBondContact O-CD 3.38Å
132	Y	98.9	Very high	97.8	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.3	178.5	-67.5	-92.7	0	0	0	110.8	A42 V43 F45 H130 R155 Y157 L195 Y199 Y201	A42-Y132 HydrophobicContact CB-CD2 4.19Å; A42-Y132 HydrophobicContact CB-CE2 3.94Å; V43-Y132 PolarHBondContact O-N 2.81Å; F45-Y132 PolarHBondContact N-O 3.49Å; H130-Y132 HydrophobicContact CB-CD2 4.49Å; H130-Y132 HydrophobicContact CB-CE2 3.77Å; Y132-R155 WeakPolarHBondContact CA-O 3.48Å; Y132-R155 HydrophobicContact CD1-CB 3.52Å; Y132-R155 HydrophobicContact CD1-CG 3.91Å; Y132-R155 HydrophobicContact CE1-CB 3.79Å; Y132-R155 HydrophobicContact CE1-CG 3.63Å; Y132-R155 HydrophobicContact CG-CB 4.2Å; Y132-Y157 HydrophobicContact CD1-CD2 4.21Å; Y132-Y157 AromaticContact CD1-CE2 3.74Å; Y132-Y157 HydrophobicContact CD1-CE2 3.74Å; Y132-Y157 AromaticContact CE1-CE2 3.99Å; Y132-Y157 HydrophobicContact CE1-CE2 3.99Å; Y132-L195 HydrophobicContact CD1-CD1 3.78Å; Y132-L195 HydrophobicContact CD1-CD2 3.95Å; Y132-L195 HydrophobicContact CD2-CD1 4.05Å; Y132-L195 HydrophobicContact CE1-CD1 3.99Å; Y132-L195 HydrophobicContact CE1-CD2 3.36Å; Y132-L195 HydrophobicContact CE1-CG 4.32Å; Y132-L195 HydrophobicContact CE2-CD1 4.24Å; Y132-L195 HydrophobicContact CE2-CD2 4.4Å; Y132-L195 HydrophobicContact CG-CD1 3.81Å; Y132-Y199 WeakPolarHBondContact OH-CD2 3.22Å; Y132-Y199 VanDerWaalsContact OH-CE2 3.29Å; Y132-Y199 WeakPolarHBondContact OH-CE2 3.29Å; Y132-Y201 AromaticContact CE2-CE2 3.88Å; Y132-Y201 HydrophobicContact CE2-CE2 3.88Å; Y132-Y201 PolarHBondContact OH-OH 3.35Å
133	L	98.9	Very high	97.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.7	168.6	-60.3	-176.7	0	0	0	108.2	F45 V47 V51 I142 V145 A146 I151 R155 I156 Y157	F45-L133 HydrophobicContact CB-CD2 4.23Å; V47-L133 HydrophobicContact CG2-CB 3.87Å; V47-L133 HydrophobicContact CG2-CD1 4.37Å; V47-L133 HydrophobicContact CG2-CD2 4.27Å; V47-L133 HydrophobicContact CG2-CG 4.39Å; V51-L133 HydrophobicContact CG2-CD2 4.07Å; L133-I142 HydrophobicContact CB-CG2 4.1Å; L133-I142 HydrophobicContact CD1-CG2 3.48Å; L133-I142 VanDerWaalsContact CD1-CG2 3.48Å; L133-I142 HydrophobicContact CG-CG2 4.44Å; L133-V145 HydrophobicContact CD1-CG1 4.32Å; L133-A146 HydrophobicContact CD1-CB 3.96Å; L133-I151 HydrophobicContact CD1-CD1 4.22Å; L133-I151 HydrophobicContact CD2-CD1 3.87Å; L133-I151 HydrophobicContact CG-CD1 3.94Å; L133-R155 PolarHBondContact N-O 2.57Å; L133-I156 CarbonylContact O-C 3.46Å; L133-I156 WeakPolarHBondContact O-CA 3.44Å; L133-Y157 PolarHBondContact O-N 3.5Å
134	V	98.8	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	105.8	-176.3	-171.8	0	0	0	0	108.7	C44 F45 Y157 T178 K188 V191	C44-V134 HydrophobicContact CB-CG2 3.84Å; F45-V134 PolarHBondContact O-N 2.97Å; V134-Y157 WeakPolarHBondContact CA-O 3.49Å; V134-T178 HydrophobicContact CG1-CG2 4.24Å; V134-K188 HydrophobicContact CG1-CB 4.18Å; V134-K188 HydrophobicContact CG1-CG 3.99Å; V134-K188 VanDerWaalsContact O-CE 3.32Å; V134-K188 WeakPolarHBondContact O-CE 3.38Å; V134-V191 HydrophobicContact CB-CG1 4.49Å; V134-V191 HydrophobicContact CG1-CB 3.87Å; V134-V191 HydrophobicContact CG1-CG1 3.78Å; V134-V191 HydrophobicContact CG1-CG2 4.01Å; V134-V191 HydrophobicContact CG2-CG1 3.81Å
135	S	98	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.1	-167.2	172.3	0	0	0	0	112.6	G137 Y157 A158 T178	S135-G137 PolarHBondContact OG-N 2.89Å; S135-Y157 PolarHBondContact N-O 3.11Å; S135-A158 WeakPolarHBondContact O-CA 3.09Å; S135-T178 VanDerWaalsContact O-CB 3.28Å; S135-T178 WeakPolarHBondContact O-CB 3.45Å; S135-T178 WeakPolarHBondContact O-CG2 3.43Å; S135-T178 PolarHBondContact O-OG1 3.13Å
136	G	95.7	Very high	97.6	Very high	17 Å²	17	25.8 Å²	25.8	18%	0.175	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-5.6	166.8	0	0	0	0	0	113.6	N159	G136-N159 PolarHBondContact O-ND2 3.13Å
137	G	96	Very high	97.6	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-163.8	171.9	0	0	0	0	0	112.7	S135 N159	S135-G137 PolarHBondContact OG-N 2.89Å; G137-N159 WeakPolarHBondContact O-CB 3.47Å; G137-N159 PolarHBondContact O-N 2.98Å
138	F	97.5	Very high	97.6	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.3	-173.1	-60.6	-74.2	0	0	0	112.9	I57 L88 L92 R140 L141 I142 N159 I161	I57-F138 HydrophobicContact CD1-CE2 3.86Å; I57-F138 HydrophobicContact CD1-CZ 4.47Å; I57-F138 HydrophobicContact CG1-CE2 4.08Å; L88-F138 HydrophobicContact CD1-CE1 4.43Å; L88-F138 HydrophobicContact CD1-CE2 4.37Å; L88-F138 HydrophobicContact CD1-CZ 3.7Å; L92-F138 HydrophobicContact CD1-CE1 4Å; L92-F138 HydrophobicContact CD1-CZ 3.69Å; L92-F138 HydrophobicContact CD2-CE1 4.12Å; L92-F138 HydrophobicContact CD2-CE2 3.78Å; L92-F138 HydrophobicContact CD2-CZ 3.3Å; L92-F138 HydrophobicContact CG-CZ 3.74Å; F138-R140 PolarHBondContact O-N 2.82Å; F138-R140 VanDerWaalsContact O-N 3.15Å; F138-L141 HydrophobicContact CB-CD1 4.3Å; F138-L141 HydrophobicContact CB-CG 4.18Å; F138-L141 HydrophobicContact CD2-CD1 4.18Å; F138-L141 WeakPolarHBondContact O-CB 3.34Å; F138-L141 PolarHBondContact O-N 2.92Å; F138-I142 WeakPolarHBondContact O-CG1 3.28Å; F138-I142 PolarHBondContact O-N 3.3Å; F138-N159 CarbonylContact C-O 3.5Å; F138-N159 VanDerWaalsContact CA-O 3.27Å; F138-N159 WeakPolarHBondContact CA-O 3.4Å; F138-N159 HydrophobicContact CD1-CB 3.7Å; F138-N159 HydrophobicContact CE1-CB 3.83Å; F138-I161 HydrophobicContact CD1-CD1 3.97Å; F138-I161 HydrophobicContact CD1-CG1 3.36Å; F138-I161 HydrophobicContact CD2-CD1 4.06Å; F138-I161 HydrophobicContact CD2-CG1 4.37Å; F138-I161 HydrophobicContact CE1-CD1 4.13Å; F138-I161 HydrophobicContact CE1-CG1 3.51Å; F138-I161 HydrophobicContact CE2-CD1 4.22Å; F138-I161 HydrophobicContact CE2-CG1 4.49Å; F138-I161 HydrophobicContact CG-CD1 3.94Å; F138-I161 HydrophobicContact CG-CG1 3.82Å; F138-I161 HydrophobicContact CZ-CD1 4.25Å; F138-I161 HydrophobicContact CZ-CG1 4.1Å
139	R	97.4	Very high	97.6	Very high	53 Å²	53	26.2 Å²	26.2	20%	0.2	13%	0.131	C	C	.	.	H	α-helix	trans	-49.9	-44.6	-179.2	-174.4	178.2	-54.6	-67.8	1.1	112.6	L141 I142 L143 I156 A158 N159 E160 E176	R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.05Å; R139-I142 PolarHBondContact O-N 3.3Å; R139-I142 VanDerWaalsContact O-N 3.09Å; R139-L143 WeakPolarHBondContact O-CG 3.32Å; R139-L143 PolarHBondContact O-N 3.37Å; R139-I156 HydrophobicContact CG-CG2 4.28Å; R139-I156 PolarHBondContact NH1-O 2.97Å; R139-A158 HydrophobicContact CB-CB 4.15Å; R139-A158 PolarHBondContact NH2-O 3.08Å; R139-N159 PolarHBondContact N-O 3.05Å; R139-E160 WeakPolarHBondContact CB-OE2 3.46Å; R139-E160 WeakPolarHBondContact CD-OE2 3.44Å; R139-E160 IonicContact NE-OE2 2.69Å; R139-E176 IonicContact CZ-OE1 3.75Å; R139-E176 IonicContact NE-OE1 3.87Å; R139-E176 IonicContact NH2-OE1 2.81Å; R139-E176 PolarHBondContact NH2-OE1 2.89Å; R139-E176 IonicContact NH2-OE2 3.55Å
140	R	96.1	Very high	97.6	Very high	63 Å²	63	28.4 Å²	28.4	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-34.5	-178.9	-164.5	69.5	-171.9	99.4	-3.3	113.2	L102 E103 V106 F138	L102-R140 HydrophobicContact CD2-CB 4.04Å; L102-R140 HydrophobicContact CD2-CG 3.99Å; L102-R140 HydrophobicContact CG-CB 4.48Å; L102-R140 HydrophobicContact CG-CG 4.12Å; E103-R140 IonicContact OE1-CZ 3.58Å; E103-R140 IonicContact OE1-NE 3.57Å; E103-R140 PolarHBondContact OE1-NE 2.86Å; E103-R140 IonicContact OE1-NH2 3.62Å; E103-R140 PolarHBondContact OE1-NH2 2.72Å; E103-R140 IonicContact OE2-CZ 2.75Å; E103-R140 IonicContact OE2-NE 2.75Å; E103-R140 IonicContact OE2-NH2 2.65Å; E103-R140 PolarHBondContact OE2-NH2 2.85Å; V106-R140 HydrophobicContact CG2-CG 4.12Å; F138-R140 PolarHBondContact O-N 2.82Å; F138-R140 VanDerWaalsContact O-N 3.15Å
141	L	96.6	Very high	97.6	Very high	23 Å²	23	25.6 Å²	25.6	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-76.7	-26.9	177.5	-56.4	-175.2	0	0	0	112.4	G56 L102 F105 V106 F138 R139 P144	G56-L141 WeakPolarHBondContact O-CD1 3.35Å; L102-L141 HydrophobicContact CD1-CD2 3.6Å; L102-L141 HydrophobicContact CD1-CG 4.41Å; F105-L141 HydrophobicContact CD1-CD2 3.69Å; F105-L141 HydrophobicContact CE1-CD2 3.71Å; V106-L141 HydrophobicContact CG2-CD2 3.65Å; F138-L141 HydrophobicContact CB-CD1 4.3Å; F138-L141 HydrophobicContact CB-CG 4.18Å; F138-L141 HydrophobicContact CD2-CD1 4.18Å; F138-L141 WeakPolarHBondContact O-CB 3.34Å; F138-L141 PolarHBondContact O-N 2.92Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.05Å; L141-P144 WeakPolarHBondContact O-CD 3.43Å
142	I	97.9	Very high	97.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-85.9	-23.9	-177.3	-61.3	164.4	0	0	0	111.8	V47 L133 F138 R139 V145 A146 I156 A158	V47-I142 HydrophobicContact CB-CG1 4.45Å; V47-I142 HydrophobicContact CG1-CG1 4.17Å; V47-I142 HydrophobicContact CG2-CD1 4.13Å; V47-I142 HydrophobicContact CG2-CG1 4.21Å; V47-I142 HydrophobicContact CG2-CG2 4.01Å; L133-I142 HydrophobicContact CB-CG2 4.1Å; L133-I142 HydrophobicContact CD1-CG2 3.48Å; L133-I142 VanDerWaalsContact CD1-CG2 3.48Å; L133-I142 HydrophobicContact CG-CG2 4.44Å; F138-I142 WeakPolarHBondContact O-CG1 3.28Å; F138-I142 PolarHBondContact O-N 3.3Å; R139-I142 PolarHBondContact O-N 3.3Å; R139-I142 VanDerWaalsContact O-N 3.09Å; I142-V145 WeakPolarHBondContact O-CA 3.28Å; I142-V145 WeakPolarHBondContact O-CB 3.27Å; I142-V145 PolarHBondContact O-N 3.39Å; I142-A146 PolarHBondContact O-N 2.71Å; I142-I156 HydrophobicContact CB-CG2 4.26Å; I142-I156 HydrophobicContact CD1-CG2 4.48Å; I142-I156 HydrophobicContact CG2-CD1 4.3Å; I142-I156 HydrophobicContact CG2-CG1 4.43Å; I142-I156 HydrophobicContact CG2-CG2 3.88Å; I142-A158 HydrophobicContact CD1-CB 3.48Å; I142-A158 VanDerWaalsContact CD1-CB 3.48Å
143	L	97	Very high	97.5	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-52.7	-46.5	-178.7	-80.6	170.6	0	0	0	114.1	R139 V145 A146 E147 K153 I156	R139-L143 WeakPolarHBondContact O-CG 3.32Å; R139-L143 PolarHBondContact O-N 3.37Å; L143-V145 VanDerWaalsContact C-N 3.29Å; L143-V145 PolarHBondContact O-N 3.36Å; L143-A146 PolarHBondContact O-N 3.3Å; L143-E147 PolarHBondContact O-N 3.21Å; L143-K153 HydrophobicContact CD2-CB 4.07Å; L143-K153 HydrophobicContact CD2-CD 3.68Å; L143-K153 HydrophobicContact CD2-CG 3.59Å; L143-I156 HydrophobicContact CD2-CD1 3.72Å; L143-I156 HydrophobicContact CG-CD1 4.33Å
144	P	96.4	Very high	97.5	Very high	27 Å²	27	41.2 Å²	41.2	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-33.1	175.7	-21.2	33.3	0	0	0	113.2	V106 P111 L141 E147 L148	V106-P144 HydrophobicContact CG1-CG 3.74Å; P111-P144 HydrophobicContact CG-CB 3.86Å; L141-P144 WeakPolarHBondContact O-CD 3.43Å; P144-E147 PolarHBondContact O-N 3.09Å; P144-L148 VanDerWaalsContact O-CG 3.29Å; P144-L148 WeakPolarHBondContact O-CG 3.48Å; P144-L148 PolarHBondContact O-N 2.83Å
145	V	97.6	Very high	97.5	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-49.7	175.2	-173.1	0	0	0	0	109.9	V51 P111 L113 L133 I142 L143 E147 L148 L149	V51-V145 HydrophobicContact CG1-CG1 3.49Å; V51-V145 VanDerWaalsContact CG1-CG1 3.49Å; P111-V145 HydrophobicContact CB-CG2 3.81Å; P111-V145 HydrophobicContact CG-CG2 3.84Å; L113-V145 HydrophobicContact CD2-CG1 3.84Å; L133-V145 HydrophobicContact CD1-CG1 4.32Å; I142-V145 WeakPolarHBondContact O-CA 3.28Å; I142-V145 WeakPolarHBondContact O-CB 3.27Å; I142-V145 PolarHBondContact O-N 3.39Å; L143-V145 VanDerWaalsContact C-N 3.29Å; L143-V145 PolarHBondContact O-N 3.36Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 2.96Å; V145-L148 PolarHBondContact O-N 2.93Å; V145-L149 HydrophobicContact CG1-CD1 4.02Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.01Å; V145-L149 VanDerWaalsContact O-N 3.14Å
146	A	98.1	Very high	97.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-42.8	179.5	0	0	0	0	0	111.7	L133 I142 L143 L148 L149 G150 I151 I156	L133-A146 HydrophobicContact CD1-CB 3.96Å; I142-A146 PolarHBondContact O-N 2.71Å; L143-A146 PolarHBondContact O-N 3.3Å; A146-L148 PolarHBondContact O-N 3.33Å; A146-L149 CarbonylContact O-C 3.58Å; A146-L149 PolarHBondContact O-N 3.35Å; A146-G150 PolarHBondContact O-N 3.45Å; A146-I151 HydrophobicContact CB-CB 4.13Å; A146-I151 PolarHBondContact O-N 3.08Å; A146-I156 HydrophobicContact CB-CD1 3.65Å; A146-I156 HydrophobicContact CB-CG1 4.16Å
147	E	97.1	Very high	97.6	Very high	158 Å²	158	43.8 Å²	43.8	74%	0.738	23%	0.225	S	C	*	.	H	α-helix	trans	-60	-46.3	176.5	-177.6	172.3	-174.5	0	0	112	L143 P144 V145 L149 G150	L143-E147 PolarHBondContact O-N 3.21Å; P144-E147 PolarHBondContact O-N 3.09Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 2.96Å; E147-L149 PolarHBondContact O-N 3.29Å; E147-G150 PolarHBondContact O-N 3.31Å
148	L	97.4	Very high	97.8	Very high	69 Å²	69	43.5 Å²	43.5	36%	0.361	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-33.4	177.5	-73.1	172.5	0	0	0	112.6	P111 L113 R118 P144 V145 A146	P111-L148 HydrophobicContact CB-CD1 4.25Å; P111-L148 HydrophobicContact CG-CD1 4.07Å; L113-L148 HydrophobicContact CD1-CB 4.18Å; L113-L148 HydrophobicContact CD1-CD1 4.28Å; L113-L148 HydrophobicContact CG-CD1 4.49Å; R118-L148 PolarHBondContact NH1-O 2.85Å; R118-L148 PolarHBondContact NH2-O 3.44Å; P144-L148 VanDerWaalsContact O-CG 3.29Å; P144-L148 WeakPolarHBondContact O-CG 3.48Å; P144-L148 PolarHBondContact O-N 2.83Å; V145-L148 PolarHBondContact O-N 2.93Å; A146-L148 PolarHBondContact O-N 3.33Å
149	L	98.4	Very high	97.8	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-92.6	-2.5	-178.1	-63.1	176.4	0	0	0	113.7	V51 L113 I117 R118 V121 H125 V145 A146 E147 I151	V51-L149 HydrophobicContact CG1-CD1 3.6Å; L113-L149 HydrophobicContact CD1-CD2 4.02Å; L113-L149 HydrophobicContact CD2-CD1 4.43Å; L113-L149 HydrophobicContact CD2-CG 4.47Å; I117-L149 HydrophobicContact CG1-CD1 4.49Å; I117-L149 HydrophobicContact CG2-CD2 4.21Å; R118-L149 HydrophobicContact CB-CD2 4.23Å; V121-L149 HydrophobicContact CG1-CB 4.23Å; V121-L149 HydrophobicContact CG2-CD1 4.44Å; H125-L149 PolarHBondContact CE1-O 2.91Å; V145-L149 HydrophobicContact CG1-CD1 4.02Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.01Å; V145-L149 VanDerWaalsContact O-N 3.14Å; A146-L149 CarbonylContact O-C 3.58Å; A146-L149 PolarHBondContact O-N 3.35Å; E147-L149 PolarHBondContact O-N 3.29Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CD1 3.81Å; L149-I151 HydrophobicContact CB-CG1 3.98Å; L149-I151 HydrophobicContact CD1-CD1 4.05Å; L149-I151 PolarHBondContact O-N 2.96Å
150	G	98.3	Very high	97.8	Very high	56 Å²	56	43.5 Å²	43.5	58%	0.577	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	30.1	-176.1	0	0	0	0	0	113.4	H125 A146 E147	H125-G150 PolarHBondContact CE1-O 3.48Å; A146-G150 PolarHBondContact O-N 3.45Å; E147-G150 PolarHBondContact O-N 3.31Å
151	I	98.7	Very high	97.9	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.041	22%	0.215	C	C	.	.			trans	-93.8	129.7	177.5	-61.4	168.8	0	0	0	108.8	V121 V131 L133 A146 L149 R155	V121-I151 HydrophobicContact CG1-CD1 4.29Å; V121-I151 HydrophobicContact CG1-CG1 4.22Å; V131-I151 HydrophobicContact CB-CD1 4.37Å; V131-I151 HydrophobicContact CB-CG1 4.37Å; V131-I151 HydrophobicContact CG1-CD1 3.67Å; V131-I151 HydrophobicContact CG1-CG1 4.2Å; L133-I151 HydrophobicContact CD1-CD1 4.22Å; L133-I151 HydrophobicContact CD2-CD1 3.87Å; L133-I151 HydrophobicContact CG-CD1 3.94Å; A146-I151 HydrophobicContact CB-CB 4.13Å; A146-I151 PolarHBondContact O-N 3.08Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CD1 3.81Å; L149-I151 HydrophobicContact CB-CG1 3.98Å; L149-I151 HydrophobicContact CD1-CD1 4.05Å; L149-I151 PolarHBondContact O-N 2.96Å; I151-R155 HydrophobicContact CG2-CB 4Å
152	E	97.9	Very high	98	Very high	104 Å²	104	42.9 Å²	42.9	49%	0.486	23%	0.226	S	C	.	.			trans	-62.8	142.6	179.1	-65.7	176.5	-173.5	0	0	112	S154 R155	E152-S154 WeakPolarHBondContact CB-OG 3.05Å; E152-S154 PolarHBondContact O-N 3.05Å; E152-S154 VanDerWaalsContact O-N 3.13Å; E152-S154 PolarHBondContact OE2-OG 3.42Å; E152-R155 HydrophobicContact CB-CG 4.3Å; E152-R155 WeakPolarHBondContact O-CB 3.48Å; E152-R155 PolarHBondContact O-N 3.2Å; E152-R155 IonicContact OE1-NH2 3.33Å; E152-R155 IonicContact OE2-CZ 2.68Å; E152-R155 IonicContact OE2-NE 2.74Å; E152-R155 IonicContact OE2-NH2 3.6Å
153	K	97.9	Very high	98	Very high	154 Å²	154	45 Å²	45	67%	0.67	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-58.1	-29.7	179	-60.1	-174.5	178.5	-179.9	0	113.2	L143 R155 I156	L143-K153 HydrophobicContact CD2-CB 4.07Å; L143-K153 HydrophobicContact CD2-CD 3.68Å; L143-K153 HydrophobicContact CD2-CG 3.59Å; K153-R155 PolarHBondContact O-N 2.98Å; K153-I156 PolarHBondContact O-N 3.34Å
154	S	97.8	Very high	98	Very high	71 Å²	71	46 Å²	46	50%	0.497	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-66.7	-16.6	175.5	53.2	0	0	0	0	113.6	E152	E152-S154 WeakPolarHBondContact CB-OG 3.05Å; E152-S154 PolarHBondContact O-N 3.05Å; E152-S154 VanDerWaalsContact O-N 3.13Å; E152-S154 PolarHBondContact OE2-OG 3.42Å
155	R	98.6	Very high	98.1	Very high	37 Å²	37	53.6 Å²	53.6	14%	0.14	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-99.3	15.9	-179.9	-60	-172.9	-173.1	149.5	4.5	113.1	V131 Y132 L133 I151 E152 K153	V131-R155 VanDerWaalsContact O-CD 3.22Å; V131-R155 WeakPolarHBondContact O-CD 3.38Å; Y132-R155 WeakPolarHBondContact CA-O 3.48Å; Y132-R155 HydrophobicContact CD1-CB 3.52Å; Y132-R155 HydrophobicContact CD1-CG 3.91Å; Y132-R155 HydrophobicContact CE1-CB 3.79Å; Y132-R155 HydrophobicContact CE1-CG 3.63Å; Y132-R155 HydrophobicContact CG-CB 4.2Å; L133-R155 PolarHBondContact N-O 2.57Å; I151-R155 HydrophobicContact CG2-CB 4Å; E152-R155 HydrophobicContact CB-CG 4.3Å; E152-R155 WeakPolarHBondContact O-CB 3.48Å; E152-R155 PolarHBondContact O-N 3.2Å; E152-R155 IonicContact OE1-NH2 3.33Å; E152-R155 IonicContact OE2-CZ 2.68Å; E152-R155 IonicContact OE2-NE 2.74Å; E152-R155 IonicContact OE2-NH2 3.6Å; K153-R155 PolarHBondContact O-N 2.98Å
156	I	98.8	Very high	98.1	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130	172.4	-55.4	171.7	0	0	0	107.9	L133 R139 I142 L143 A146 K153 A158	L133-I156 CarbonylContact O-C 3.46Å; L133-I156 WeakPolarHBondContact O-CA 3.44Å; R139-I156 HydrophobicContact CG-CG2 4.28Å; R139-I156 PolarHBondContact NH1-O 2.97Å; I142-I156 HydrophobicContact CB-CG2 4.26Å; I142-I156 HydrophobicContact CD1-CG2 4.48Å; I142-I156 HydrophobicContact CG2-CD1 4.3Å; I142-I156 HydrophobicContact CG2-CG1 4.43Å; I142-I156 HydrophobicContact CG2-CG2 3.88Å; L143-I156 HydrophobicContact CD2-CD1 3.72Å; L143-I156 HydrophobicContact CG-CD1 4.33Å; A146-I156 HydrophobicContact CB-CD1 3.65Å; A146-I156 HydrophobicContact CB-CG1 4.16Å; K153-I156 PolarHBondContact O-N 3.34Å; I156-A158 HydrophobicContact CG2-CB 4.12Å
157	Y	98.8	Very high	98	Very high	30 Å²	30	61.3 Å²	61.3	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	110.2	170.4	-68.2	-94.6	0	0	0	107.9	Y132 L133 V134 S135 V191 L194 L195	Y132-Y157 HydrophobicContact CD1-CD2 4.21Å; Y132-Y157 AromaticContact CD1-CE2 3.74Å; Y132-Y157 HydrophobicContact CD1-CE2 3.74Å; Y132-Y157 AromaticContact CE1-CE2 3.99Å; Y132-Y157 HydrophobicContact CE1-CE2 3.99Å; L133-Y157 PolarHBondContact O-N 3.5Å; V134-Y157 WeakPolarHBondContact CA-O 3.49Å; S135-Y157 PolarHBondContact N-O 3.11Å; Y157-V191 HydrophobicContact CD1-CG1 3.75Å; Y157-V191 HydrophobicContact CD1-CG2 4.12Å; Y157-V191 HydrophobicContact CD2-CG1 3.73Å; Y157-V191 HydrophobicContact CE1-CG1 4.29Å; Y157-V191 HydrophobicContact CE2-CG1 4.29Å; Y157-V191 HydrophobicContact CG-CB 4.49Å; Y157-V191 HydrophobicContact CG-CG1 3.43Å; Y157-V191 VanDerWaalsContact CG-CG1 3.43Å; Y157-V191 HydrophobicContact CG-CG2 4.21Å; Y157-L194 HydrophobicContact CE1-CD2 3.96Å; Y157-L195 HydrophobicContact CE2-CD1 4.28Å; Y157-L195 HydrophobicContact CE2-CD2 3.72Å; Y157-L195 HydrophobicContact CE2-CG 4.29Å; Y157-L195 VanDerWaalsContact OH-CD2 3.29Å; Y157-L195 WeakPolarHBondContact OH-CD2 3.46Å
158	A	98.4	Very high	98.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	168.2	-170.9	0	0	0	0	0	110.3	S135 R139 I142 I156 T178	S135-A158 WeakPolarHBondContact O-CA 3.09Å; R139-A158 HydrophobicContact CB-CB 4.15Å; R139-A158 PolarHBondContact NH2-O 3.08Å; I142-A158 HydrophobicContact CD1-CB 3.48Å; I142-A158 VanDerWaalsContact CD1-CB 3.48Å; I156-A158 HydrophobicContact CG2-CB 4.12Å; A158-T178 VanDerWaalsContact CA-OG1 3.3Å; A158-T178 WeakPolarHBondContact CA-OG1 3.41Å
159	N	98.4	Very high	98.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	156.4	176.1	-70	-58.3	0	0	0	111.8	L88 G136 G137 F138 R139 T178 S179	L88-N159 HydrophobicContact CD2-CB 4.48Å; G136-N159 PolarHBondContact O-ND2 3.13Å; G137-N159 WeakPolarHBondContact O-CB 3.47Å; G137-N159 PolarHBondContact O-N 2.98Å; F138-N159 CarbonylContact C-O 3.5Å; F138-N159 VanDerWaalsContact CA-O 3.27Å; F138-N159 WeakPolarHBondContact CA-O 3.4Å; F138-N159 HydrophobicContact CD1-CB 3.7Å; F138-N159 HydrophobicContact CE1-CB 3.83Å; R139-N159 PolarHBondContact N-O 3.05Å; N159-T178 PolarHBondContact N-OG1 2.92Å; N159-T178 PolarHBondContact ND2-O 3.04Å; N159-T178 PolarHBondContact OD1-O 3.06Å; N159-S179 WeakPolarHBondContact OD1-CA 3.46Å; N159-S179 WeakPolarHBondContact OD1-CB 3.24Å; N159-S179 PolarHBondContact OD1-N 3.49Å
160	E	97.7	Very high	98.1	Very high	56 Å²	56	64.1 Å²	64.1	26%	0.262	32%	0.318	S	S	.	.			trans	-120.4	128.9	176.7	-169.1	61.1	-140.3	0	0	110.3	R139 F172 D173	R139-E160 WeakPolarHBondContact CB-OE2 3.46Å; R139-E160 WeakPolarHBondContact CD-OE2 3.44Å; R139-E160 IonicContact NE-OE2 2.69Å; E160-F172 CarbonylContact O-C 3.53Å; E160-F172 WeakPolarHBondContact O-CA 3.23Å; E160-F172 WeakPolarHBondContact O-CB 3.42Å; E160-D173 HydrophobicContact CB-CB 4.08Å; E160-D173 PolarHBondContact O-N 3.4Å
161	I	97.9	Very high	98	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.3	173.6	-57.8	-179.1	0	0	0	108	L92 P97 L102 F138 F163 Y169	L92-I161 HydrophobicContact CD2-CD1 4.11Å; L92-I161 HydrophobicContact CD2-CG1 4.42Å; P97-I161 HydrophobicContact CG-CD1 4.1Å; L102-I161 HydrophobicContact CD2-CD1 4.3Å; F138-I161 HydrophobicContact CD1-CD1 3.97Å; F138-I161 HydrophobicContact CD1-CG1 3.36Å; F138-I161 HydrophobicContact CD2-CD1 4.06Å; F138-I161 HydrophobicContact CD2-CG1 4.37Å; F138-I161 HydrophobicContact CE1-CD1 4.13Å; F138-I161 HydrophobicContact CE1-CG1 3.51Å; F138-I161 HydrophobicContact CE2-CD1 4.22Å; F138-I161 HydrophobicContact CE2-CG1 4.49Å; F138-I161 HydrophobicContact CG-CD1 3.94Å; F138-I161 HydrophobicContact CG-CG1 3.82Å; F138-I161 HydrophobicContact CZ-CD1 4.25Å; F138-I161 HydrophobicContact CZ-CG1 4.1Å; I161-F163 HydrophobicContact CB-CE2 4.19Å; I161-F163 HydrophobicContact CB-CZ 4.11Å; I161-F163 HydrophobicContact CG2-CE1 3.95Å; I161-F163 HydrophobicContact CG2-CE2 4Å; I161-F163 HydrophobicContact CG2-CZ 3.59Å; I161-Y169 HydrophobicContact CG2-CD2 3.93Å; I161-Y169 HydrophobicContact CG2-CE2 4.13Å
162	L	98.2	Very high	98	Very high	67 Å²	67	62.7 Å²	62.7	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.7	179	-60.3	178.5	0	0	0	110.4	H170 G171 D173	L162-H170 WeakPolarHBondContact O-CA 3.49Å; L162-H170 PolarHBondContact O-N 3.42Å; L162-G171 PolarHBondContact N-O 3.45Å; L162-D173 HydrophobicContact CD1-CB 4.49Å; L162-D173 HydrophobicContact CD2-CB 4.31Å; L162-D173 HydrophobicContact CG-CB 4.49Å
163	F	98.3	Very high	98	Very high	49 Å²	49	60 Å²	60	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.5	176.2	-56.9	-80.4	0	0	0	110.5	P97 N98 H99 L102 I161 G167 K168	P97-F163 WeakPolarHBondContact O-CE1 3.38Å; N98-F163 VanDerWaalsContact C-CE1 3.41Å; H99-F163 HydrophobicContact CB-CD1 3.89Å; H99-F163 HydrophobicContact CB-CD2 4.13Å; H99-F163 HydrophobicContact CB-CE1 4.07Å; H99-F163 HydrophobicContact CB-CE2 4.3Å; H99-F163 HydrophobicContact CB-CG 3.92Å; H99-F163 HydrophobicContact CB-CZ 4.26Å; H99-F163 AromaticContact CD2-CD2 3.83Å; L102-F163 HydrophobicContact CB-CZ 4.34Å; L102-F163 HydrophobicContact CD2-CE2 4.02Å; L102-F163 HydrophobicContact CD2-CZ 3.72Å; I161-F163 HydrophobicContact CB-CE2 4.19Å; I161-F163 HydrophobicContact CB-CZ 4.11Å; I161-F163 HydrophobicContact CG2-CE1 3.95Å; I161-F163 HydrophobicContact CG2-CE2 4Å; I161-F163 HydrophobicContact CG2-CZ 3.59Å; F163-G167 WeakPolarHBondContact CD1-O 3.49Å; F163-K168 CarbonylContact C-O 3.32Å; F163-K168 VanDerWaalsContact CA-O 3.25Å; F163-K168 WeakPolarHBondContact CA-O 3.44Å
164	D	98.1	Very high	98	Very high	54 Å²	54	56.1 Å²	56.1	29%	0.289	28%	0.279	S	S	.	.			trans	-74.4	176.8	170	75.8	7.6	0	0	0	111.5	F166 G167 K168 H170	D164-F166 PolarHBondContact O-N 3.34Å; D164-F166 VanDerWaalsContact OD1-C 3.31Å; D164-F166 VanDerWaalsContact OD1-CA 3.3Å; D164-F166 WeakPolarHBondContact OD1-CA 3.49Å; D164-F166 WeakPolarHBondContact OD1-CB 3.2Å; D164-F166 PolarHBondContact OD1-N 2.69Å; D164-G167 PolarHBondContact O-N 3.22Å; D164-G167 PolarHBondContact OD1-N 2.62Å; D164-G167 VanDerWaalsContact OD1-N 3.09Å; D164-K168 PolarHBondContact N-O 3.3Å; D164-K168 PolarHBondContact OD1-N 3.36Å; D164-H170 HydrophobicContact CB-CB 4.42Å
165	K	97.2	Very high	97.9	Very high	186 Å²	186	57.2 Å²	57.2	81%	0.809	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.1	178.8	69.3	-178.1	-177.5	-179.5	0	114.9
166	F	97.3	Very high	97.9	Very high	147 Å²	147	57.6 Å²	57.6	65%	0.645	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	7.9	177.1	-54.5	-71	0	0	0	112.1	D164 K168	D164-F166 PolarHBondContact O-N 3.34Å; D164-F166 VanDerWaalsContact OD1-C 3.31Å; D164-F166 VanDerWaalsContact OD1-CA 3.3Å; D164-F166 WeakPolarHBondContact OD1-CA 3.49Å; D164-F166 WeakPolarHBondContact OD1-CB 3.2Å; D164-F166 PolarHBondContact OD1-N 2.69Å; F166-K168 VanDerWaalsContact C-N 3.3Å; F166-K168 PolarHBondContact O-N 3.3Å
167	G	97.7	Very high	97.8	Very high	20 Å²	20	59.9 Å²	59.9	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	76	12.2	-179.7	0	0	0	0	0	114.2	N98 H99 F163 D164	N98-G167 CarbonylContact C-O 3.56Å; N98-G167 WeakPolarHBondContact CA-O 3.32Å; N98-G167 WeakPolarHBondContact CB-O 3.17Å; H99-G167 PolarHBondContact N-O 3.2Å; F163-G167 WeakPolarHBondContact CD1-O 3.49Å; D164-G167 PolarHBondContact O-N 3.22Å; D164-G167 PolarHBondContact OD1-N 2.62Å; D164-G167 VanDerWaalsContact OD1-N 3.09Å
168	K	98.1	Very high	97.7	Very high	135 Å²	135	58.6 Å²	58.6	59%	0.587	30%	0.297	S	S	*	.			trans	-83.4	147	177	-62	-178.2	179.4	-179.7	0	110.6	F163 D164 F166 H170	F163-K168 CarbonylContact C-O 3.32Å; F163-K168 VanDerWaalsContact CA-O 3.25Å; F163-K168 WeakPolarHBondContact CA-O 3.44Å; D164-K168 PolarHBondContact N-O 3.3Å; D164-K168 PolarHBondContact OD1-N 3.36Å; F166-K168 VanDerWaalsContact C-N 3.3Å; F166-K168 PolarHBondContact O-N 3.3Å; K168-H170 PolarHBondContact O-N 2.94Å
169	Y	98.1	Very high	97.6	Very high	32 Å²	32	58.7 Å²	58.7	13%	0.125	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	128.1	174.6	177	-109.1	0	0	0	112	L92 K96 P97 I161 G171	L92-Y169 HydrophobicContact CB-CE2 3.99Å; L92-Y169 WeakPolarHBondContact CB-OH 3.29Å; L92-Y169 HydrophobicContact CD1-CE2 4.36Å; L92-Y169 HydrophobicContact CD2-CE2 4.46Å; K96-Y169 HydrophobicContact CB-CD1 4.08Å; K96-Y169 HydrophobicContact CB-CG 4.23Å; K96-Y169 HydrophobicContact CG-CD1 3.74Å; K96-Y169 HydrophobicContact CG-CE1 4.23Å; K96-Y169 HydrophobicContact CG-CG 4.38Å; P97-Y169 WeakPolarHBondContact O-CB 3.4Å; I161-Y169 HydrophobicContact CG2-CD2 3.93Å; I161-Y169 HydrophobicContact CG2-CE2 4.13Å; Y169-G171 VanDerWaalsContact CE2-O 3.23Å; Y169-G171 WeakPolarHBondContact CE2-O 3.44Å; Y169-G171 VanDerWaalsContact CZ-CA 3.44Å; Y169-G171 WeakPolarHBondContact OH-CA 3.31Å
170	H	97.8	Very high	97.5	Very high	131 Å²	131	59.2 Å²	59.2	61%	0.606	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	32	-178.6	-163.3	68.7	0	0	0	112.3	L162 D164 K168	L162-H170 WeakPolarHBondContact O-CA 3.49Å; L162-H170 PolarHBondContact O-N 3.42Å; D164-H170 HydrophobicContact CB-CB 4.42Å; K168-H170 PolarHBondContact O-N 2.94Å
171	G	97.5	Very high	97.2	Very high	17 Å²	17	58.1 Å²	58.1	18%	0.175	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.8	-155.8	-178.4	0	0	0	0	0	113	L162 Y169	L162-G171 PolarHBondContact N-O 3.45Å; Y169-G171 VanDerWaalsContact CE2-O 3.23Å; Y169-G171 WeakPolarHBondContact CE2-O 3.44Å; Y169-G171 VanDerWaalsContact CZ-CA 3.44Å; Y169-G171 WeakPolarHBondContact OH-CA 3.31Å
172	F	98	Very high	96.9	Very high	18 Å²	18	60.6 Å²	60.6	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.8	175.9	66.4	-78.6	0	0	0	109.1	R85 L88 A89 L92 E160 T174	R85-F172 HydrophobicContact CG-CE2 4.46Å; R85-F172 HydrophobicContact CG-CZ 3.93Å; L88-F172 HydrophobicContact CD2-CD2 3.97Å; L88-F172 HydrophobicContact CD2-CE2 3.65Å; L88-F172 HydrophobicContact CD2-CZ 4.05Å; L88-F172 HydrophobicContact CG-CE2 4.33Å; L88-F172 HydrophobicContact CG-CZ 4.28Å; A89-F172 HydrophobicContact CB-CE1 3.83Å; A89-F172 HydrophobicContact CB-CZ 4.39Å; L92-F172 HydrophobicContact CD1-CB 3.79Å; L92-F172 HydrophobicContact CD1-CD1 3.44Å; L92-F172 VanDerWaalsContact CD1-CD1 3.44Å; L92-F172 HydrophobicContact CD1-CE1 4.21Å; L92-F172 HydrophobicContact CD1-CG 3.8Å; E160-F172 CarbonylContact O-C 3.53Å; E160-F172 WeakPolarHBondContact O-CA 3.23Å; E160-F172 WeakPolarHBondContact O-CB 3.42Å; F172-T174 HydrophobicContact CD2-CG2 4.43Å; F172-T174 HydrophobicContact CE2-CG2 4Å; F172-T174 HydrophobicContact CZ-CG2 4.12Å; F172-T174 PolarHBondContact O-N 3Å; F172-T174 VanDerWaalsContact O-N 3.12Å
173	D	98.1	Very high	96.6	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	32%	0.324	C	S	.	.			trans	-72	105.9	-178.9	-170.2	-10.3	0	0	0	111	E160 L162 S175 E176	E160-D173 HydrophobicContact CB-CB 4.08Å; E160-D173 PolarHBondContact O-N 3.4Å; L162-D173 HydrophobicContact CD1-CB 4.49Å; L162-D173 HydrophobicContact CD2-CB 4.31Å; L162-D173 HydrophobicContact CG-CB 4.49Å; D173-S175 VanDerWaalsContact CG-OG 3.27Å; D173-S175 PolarHBondContact O-N 3.44Å; D173-S175 WeakPolarHBondContact OD1-CA 3.08Å; D173-S175 VanDerWaalsContact OD1-CB 3.24Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 2.97Å; D173-S175 PolarHBondContact OD2-OG 3.28Å; D173-E176 HydrophobicContact CB-CG 4.04Å; D173-E176 PolarHBondContact O-N 3.33Å
174	T	96.8	Very high	96.3	Very high	74 Å²	74	64 Å²	64	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.6	177.8	59.4	0	0	0	0	114	R85 F172 S179	R85-T174 PolarHBondContact NH2-O 3.31Å; F172-T174 HydrophobicContact CD2-CG2 4.43Å; F172-T174 HydrophobicContact CE2-CG2 4Å; F172-T174 HydrophobicContact CZ-CG2 4.12Å; F172-T174 PolarHBondContact O-N 3Å; F172-T174 VanDerWaalsContact O-N 3.12Å; T174-S179 PolarHBondContact O-OG 2.9Å; T174-S179 VanDerWaalsContact O-OG 3.09Å
175	S	96.9	Very high	96.1	Very high	94 Å²	94	68.4 Å²	68.4	66%	0.657	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.6	173.3	78.4	0	0	0	0	112.7	D173 L177	D173-S175 VanDerWaalsContact CG-OG 3.27Å; D173-S175 PolarHBondContact O-N 3.44Å; D173-S175 WeakPolarHBondContact OD1-CA 3.08Å; D173-S175 VanDerWaalsContact OD1-CB 3.24Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 2.97Å; D173-S175 PolarHBondContact OD2-OG 3.28Å; S175-L177 PolarHBondContact O-N 3.37Å
176	E	97.8	Very high	96	Very high	44 Å²	44	60.5 Å²	60.5	21%	0.206	33%	0.329	C	S	.	.	S	Bend	trans	-58.6	135.6	170.8	-75.8	-74	-165.9	0	0	110	R139 D173 T178 S179	R139-E176 IonicContact CZ-OE1 3.75Å; R139-E176 IonicContact NE-OE1 3.87Å; R139-E176 IonicContact NH2-OE1 2.81Å; R139-E176 PolarHBondContact NH2-OE1 2.89Å; R139-E176 IonicContact NH2-OE2 3.55Å; D173-E176 HydrophobicContact CB-CG 4.04Å; D173-E176 PolarHBondContact O-N 3.33Å; E176-T178 PolarHBondContact O-N 3.46Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.46Å; E176-S179 PolarHBondContact O-OG 3.45Å
177	L	97.4	Very high	96	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.9	-177.9	-70.6	176.9	0	0	0	111.3	S175 S179 T186 G187 A190 V191 L194	S175-L177 PolarHBondContact O-N 3.37Å; L177-S179 PolarHBondContact O-N 3.37Å; L177-T186 PolarHBondContact O-OG1 3.31Å; L177-G187 WeakPolarHBondContact O-CA 3.43Å; L177-G187 PolarHBondContact O-N 3.25Å; L177-A190 HydrophobicContact CB-CB 4.49Å; L177-A190 HydrophobicContact CD1-CB 4.18Å; L177-A190 HydrophobicContact CD2-CB 3.96Å; L177-A190 HydrophobicContact CG-CB 4.44Å; L177-V191 HydrophobicContact CB-CG2 3.79Å; L177-V191 HydrophobicContact CD1-CG2 3.94Å; L177-L194 HydrophobicContact CD1-CB 4.46Å; L177-L194 HydrophobicContact CD1-CD2 4Å
178	T	97	Very high	96.1	Very high	4 Å²	4	53 Å²	53	3%	0.025	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-81.6	7.2	-179.1	57.4	0	0	0	0	114.2	F84 V134 S135 A158 N159 E176 D180 V191	F84-T178 WeakPolarHBondContact CE1-O 3.21Å; V134-T178 HydrophobicContact CG1-CG2 4.24Å; S135-T178 VanDerWaalsContact O-CB 3.28Å; S135-T178 WeakPolarHBondContact O-CB 3.45Å; S135-T178 WeakPolarHBondContact O-CG2 3.43Å; S135-T178 PolarHBondContact O-OG1 3.13Å; A158-T178 VanDerWaalsContact CA-OG1 3.3Å; A158-T178 WeakPolarHBondContact CA-OG1 3.41Å; N159-T178 PolarHBondContact N-OG1 2.92Å; N159-T178 PolarHBondContact ND2-O 3.04Å; N159-T178 PolarHBondContact OD1-O 3.06Å; E176-T178 PolarHBondContact O-N 3.46Å; T178-D180 PolarHBondContact O-N 3.28Å; T178-V191 HydrophobicContact CG2-CG2 3.96Å
179	S	95.9	Very high	96.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-76.9	-1.2	175.9	72	0	0	0	0	114.2	R85 N159 T174 E176 L177	R85-S179 WeakPolarHBondContact CB-O 3.41Å; R85-S179 PolarHBondContact NE-O 3.21Å; R85-S179 PolarHBondContact NH2-OG 3.35Å; N159-S179 WeakPolarHBondContact OD1-CA 3.46Å; N159-S179 WeakPolarHBondContact OD1-CB 3.24Å; N159-S179 PolarHBondContact OD1-N 3.49Å; T174-S179 PolarHBondContact O-OG 2.9Å; T174-S179 VanDerWaalsContact O-OG 3.09Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.46Å; E176-S179 PolarHBondContact O-OG 3.45Å; L177-S179 PolarHBondContact O-N 3.37Å
180	D	95.1	Very high	96.1	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	26%	0.263	C	S	.	.			trans	-155.3	173.7	175.7	-151.6	8.5	0	0	0	111.1	R83 R85 T178 T186 G187	R83-D180 WeakPolarHBondContact CG-OD1 3.11Å; R83-D180 IonicContact CZ-OD2 3.08Å; R83-D180 IonicContact NE-OD1 3.41Å; R83-D180 PolarHBondContact NE-OD1 3.01Å; R83-D180 IonicContact NE-OD2 2.74Å; R83-D180 PolarHBondContact NE-OD2 3.34Å; R83-D180 IonicContact NH2-OD2 2.63Å; R83-D180 PolarHBondContact NH2-OD2 3.02Å; R85-D180 HydrophobicContact CB-CB 4.4Å; R85-D180 PolarHBondContact N-OD1 2.65Å; T178-D180 PolarHBondContact O-N 3.28Å; D180-T186 HydrophobicContact CB-CG2 4.03Å; D180-T186 WeakPolarHBondContact CB-OG1 3.18Å; D180-G187 WeakPolarHBondContact O-CA 3.32Å; D180-G187 PolarHBondContact O-N 3.37Å
181	S	93.1	Very high	96.1	Very high	32 Å²	32	39.5 Å²	39.5	22%	0.224	23%	0.234	C	C	.	.			trans	-149.4	179.4	176.6	77	0	0	0	0	111.7	F84	F84-S181 WeakPolarHBondContact CB-OG 3.31Å
182	G	90.9	Very high	96.2	Very high	58 Å²	58	38.7 Å²	38.7	60%	0.598	23%	0.226	S	C	*	.	S	Bend	trans	88.3	5.8	175.2	0	0	0	0	0	115.7	E215	G182-E215 WeakPolarHBondContact CA-OE2 3.41Å; G182-E215 PolarHBondContact N-OE2 2.9Å
183	S	91.3	Very high	96.2	Very high	46 Å²	46	40 Å²	40	32%	0.322	24%	0.24	S	C	.	.	S	Bend	trans	-141.7	164.8	170.7	102.8	0	0	0	0	111.6	E185 T186	S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 VanDerWaalsContact CB-OE2 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.47Å; S183-E185 PolarHBondContact O-N 3.3Å; S183-E185 PolarHBondContact OG-N 2.89Å; S183-E185 PolarHBondContact OG-OE2 2.81Å; S183-T186 VanDerWaalsContact O-O 3.1Å
184	K	91.9	Very high	96.2	Very high	140 Å²	140	40.8 Å²	40.8	61%	0.609	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.5	179.2	-68.2	-176.2	177.8	179.9	0	113
185	E	94.4	Very high	96.3	Very high	147 Å²	147	37.3 Å²	37.3	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5	-179	-53.4	78.7	-166.4	0	0	113	S183 A190	S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 VanDerWaalsContact CB-OE2 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.47Å; S183-E185 PolarHBondContact O-N 3.3Å; S183-E185 PolarHBondContact OG-N 2.89Å; S183-E185 PolarHBondContact OG-OE2 2.81Å; E185-A190 VanDerWaalsContact C-CB 3.48Å; E185-A190 WeakPolarHBondContact O-CB 3.33Å
186	T	95.6	Very high	96.4	Very high	20 Å²	20	35 Å²	35	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-136.3	178.9	176.5	-164.8	0	0	0	0	111.9	L177 D180 S183 P189 A190	L177-T186 PolarHBondContact O-OG1 3.31Å; D180-T186 HydrophobicContact CB-CG2 4.03Å; D180-T186 WeakPolarHBondContact CB-OG1 3.18Å; S183-T186 VanDerWaalsContact O-O 3.1Å; T186-P189 WeakPolarHBondContact O-CD 3.09Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 3.38Å
187	G	97.3	Very high	96.4	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	63.7	-157.4	177.4	0	0	0	0	0	114.8	L177 D180 P189 A190 V191	L177-G187 WeakPolarHBondContact O-CA 3.43Å; L177-G187 PolarHBondContact O-N 3.25Å; D180-G187 WeakPolarHBondContact O-CA 3.32Å; D180-G187 PolarHBondContact O-N 3.37Å; G187-P189 VanDerWaalsContact C-CD 3.41Å; G187-A190 PolarHBondContact O-N 3.27Å; G187-V191 PolarHBondContact O-N 2.85Å
188	K	98.4	Very high	96.4	Very high	9 Å²	9	44 Å²	44	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-39.7	175.1	-52.9	-172.2	174.3	169.9	0	112.8	D46 V134 A190 V191 I192 M206 D213 A216	D46-K188 IonicContact OD1-NZ 3.62Å; D46-K188 PolarHBondContact OD1-NZ 3.28Å; D46-K188 IonicContact OD2-NZ 2.8Å; D46-K188 PolarHBondContact OD2-NZ 2.95Å; V134-K188 HydrophobicContact CG1-CB 4.18Å; V134-K188 HydrophobicContact CG1-CG 3.99Å; V134-K188 VanDerWaalsContact O-CE 3.32Å; V134-K188 WeakPolarHBondContact O-CE 3.38Å; K188-A190 PolarHBondContact O-N 2.91Å; K188-V191 PolarHBondContact O-N 3.41Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 3.21Å; K188-M206 HydrophobicContact CD-CE 3.76Å; K188-D213 VanDerWaalsContact CD-OD1 3.28Å; K188-D213 WeakPolarHBondContact CD-OD1 3.36Å; K188-D213 WeakPolarHBondContact CE-OD1 3.44Å; K188-D213 VanDerWaalsContact NZ-CG 3.27Å; K188-D213 IonicContact NZ-OD1 2.89Å; K188-D213 PolarHBondContact NZ-OD1 3.46Å; K188-D213 IonicContact NZ-OD2 3.51Å; K188-D213 PolarHBondContact NZ-OD2 3.19Å; K188-A216 HydrophobicContact CB-CB 3.87Å
189	P	98.4	Very high	96.5	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-45.2	175.1	-20.6	26.9	0	0	0	113.6	T186 G187 I192 A193 E215 A216 P219	T186-P189 WeakPolarHBondContact O-CD 3.09Å; G187-P189 VanDerWaalsContact C-CD 3.41Å; P189-I192 PolarHBondContact O-N 3.22Å; P189-A193 PolarHBondContact O-N 3.11Å; P189-E215 HydrophobicContact CG-CB 4.27Å; P189-E215 WeakPolarHBondContact CG-O 3.38Å; P189-A216 HydrophobicContact CG-CB 4.47Å; P189-P219 VanDerWaalsContact O-CG 3.23Å; P189-P219 WeakPolarHBondContact O-CG 3.5Å
190	A	98.4	Very high	96.6	Very high	10 Å²	10	54.9 Å²	54.9	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-67.8	-36.7	-179.2	0	0	0	0	0	112.7	L177 E185 T186 G187 K188 A193 L194	L177-A190 HydrophobicContact CB-CB 4.49Å; L177-A190 HydrophobicContact CD1-CB 4.18Å; L177-A190 HydrophobicContact CD2-CB 3.96Å; L177-A190 HydrophobicContact CG-CB 4.44Å; E185-A190 VanDerWaalsContact C-CB 3.48Å; E185-A190 WeakPolarHBondContact O-CB 3.33Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 3.38Å; G187-A190 PolarHBondContact O-N 3.27Å; K188-A190 PolarHBondContact O-N 2.91Å; A190-A193 PolarHBondContact O-N 3.48Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 PolarHBondContact O-N 2.92Å
191	V	98.7	Very high	96.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-46.8	173.2	174.2	0	0	0	0	110.3	V134 Y157 L177 T178 G187 K188 A193 L194 L195	V134-V191 HydrophobicContact CB-CG1 4.49Å; V134-V191 HydrophobicContact CG1-CB 3.87Å; V134-V191 HydrophobicContact CG1-CG1 3.78Å; V134-V191 HydrophobicContact CG1-CG2 4.01Å; V134-V191 HydrophobicContact CG2-CG1 3.81Å; Y157-V191 HydrophobicContact CD1-CG1 3.75Å; Y157-V191 HydrophobicContact CD1-CG2 4.12Å; Y157-V191 HydrophobicContact CD2-CG1 3.73Å; Y157-V191 HydrophobicContact CE1-CG1 4.29Å; Y157-V191 HydrophobicContact CE2-CG1 4.29Å; Y157-V191 HydrophobicContact CG-CB 4.49Å; Y157-V191 HydrophobicContact CG-CG1 3.43Å; Y157-V191 VanDerWaalsContact CG-CG1 3.43Å; Y157-V191 HydrophobicContact CG-CG2 4.21Å; L177-V191 HydrophobicContact CB-CG2 3.79Å; L177-V191 HydrophobicContact CD1-CG2 3.94Å; T178-V191 HydrophobicContact CG2-CG2 3.96Å; G187-V191 PolarHBondContact O-N 2.85Å; K188-V191 PolarHBondContact O-N 3.41Å; V191-A193 PolarHBondContact O-N 3.11Å; V191-L194 WeakPolarHBondContact O-CB 3.33Å; V191-L194 PolarHBondContact O-N 3.15Å; V191-L195 HydrophobicContact CG1-CD1 4.03Å; V191-L195 HydrophobicContact CG1-CG 4.34Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.33Å
192	I	98.7	Very high	97	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-41.9	179.2	-64.2	179.4	0	0	0	111.1	K188 P189 L194 L195 K196 V204 M206 A216 P219 A220	K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 3.21Å; P189-I192 PolarHBondContact O-N 3.22Å; I192-L194 VanDerWaalsContact C-N 3.33Å; I192-L194 PolarHBondContact O-N 2.81Å; I192-L195 PolarHBondContact O-N 3.41Å; I192-K196 HydrophobicContact CG2-CD 4.16Å; I192-K196 HydrophobicContact CG2-CG 4.42Å; I192-K196 WeakPolarHBondContact O-CG 3.36Å; I192-K196 PolarHBondContact O-N 2.65Å; I192-V204 HydrophobicContact CG2-CB 4.25Å; I192-V204 HydrophobicContact CG2-CG1 3.91Å; I192-M206 HydrophobicContact CD1-CB 4Å; I192-M206 HydrophobicContact CD1-CG 4.32Å; I192-M206 HydrophobicContact CD1-SD 4.02Å; I192-A216 HydrophobicContact CD1-CB 3.64Å; I192-P219 HydrophobicContact CB-CG 4.02Å; I192-P219 HydrophobicContact CG2-CG 3.93Å; I192-A220 HydrophobicContact CD1-CB 3.78Å; I192-A220 HydrophobicContact CG2-CB 4.19Å
193	A	98.6	Very high	97.3	Very high	45 Å²	45	60.3 Å²	60.3	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-44.4	174.1	0	0	0	0	0	112	P189 A190 V191 K197 P219	P189-A193 PolarHBondContact O-N 3.11Å; A190-A193 PolarHBondContact O-N 3.48Å; V191-A193 PolarHBondContact O-N 3.11Å; A193-K197 WeakPolarHBondContact O-CB 3.26Å; A193-K197 PolarHBondContact O-N 3.46Å; A193-K197 VanDerWaalsContact O-N 3.08Å; A193-P219 HydrophobicContact CB-CG 4.03Å
194	L	98.5	Very high	97.7	Very high	63 Å²	63	58.1 Å²	58.1	33%	0.33	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-48.2	176.2	176.1	67.2	0	0	0	111	Y157 L177 A190 V191 I192 K197 M198	Y157-L194 HydrophobicContact CE1-CD2 3.96Å; L177-L194 HydrophobicContact CD1-CB 4.46Å; L177-L194 HydrophobicContact CD1-CD2 4Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 PolarHBondContact O-N 2.92Å; V191-L194 WeakPolarHBondContact O-CB 3.33Å; V191-L194 PolarHBondContact O-N 3.15Å; I192-L194 VanDerWaalsContact C-N 3.33Å; I192-L194 PolarHBondContact O-N 2.81Å; L194-K197 PolarHBondContact O-N 3.49Å; L194-M198 HydrophobicContact CD1-CE 3.8Å; L194-M198 HydrophobicContact CD2-CE 4.34Å; L194-M198 HydrophobicContact CG-CE 4.03Å; L194-M198 WeakPolarHBondContact O-CB 3.3Å; L194-M198 PolarHBondContact O-N 2.84Å
195	L	98.5	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-47.6	-179.4	-71.2	177.4	0	0	0	112.2	Y132 Y157 V191 I192 K197 M198 Y199 Y201	Y132-L195 HydrophobicContact CD1-CD1 3.78Å; Y132-L195 HydrophobicContact CD1-CD2 3.95Å; Y132-L195 HydrophobicContact CD2-CD1 4.05Å; Y132-L195 HydrophobicContact CE1-CD1 3.99Å; Y132-L195 HydrophobicContact CE1-CD2 3.36Å; Y132-L195 HydrophobicContact CE1-CG 4.32Å; Y132-L195 HydrophobicContact CE2-CD1 4.24Å; Y132-L195 HydrophobicContact CE2-CD2 4.4Å; Y132-L195 HydrophobicContact CG-CD1 3.81Å; Y157-L195 HydrophobicContact CE2-CD1 4.28Å; Y157-L195 HydrophobicContact CE2-CD2 3.72Å; Y157-L195 HydrophobicContact CE2-CG 4.29Å; Y157-L195 VanDerWaalsContact OH-CD2 3.29Å; Y157-L195 WeakPolarHBondContact OH-CD2 3.46Å; V191-L195 HydrophobicContact CG1-CD1 4.03Å; V191-L195 HydrophobicContact CG1-CG 4.34Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.33Å; I192-L195 PolarHBondContact O-N 3.41Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.97Å; L195-M198 PolarHBondContact O-N 2.68Å; L195-Y199 HydrophobicContact CD2-CD2 3.97Å; L195-Y199 HydrophobicContact CD2-CE2 3.73Å; L195-Y199 PolarHBondContact O-N 3.33Å; L195-Y201 HydrophobicContact CB-CD2 4.31Å; L195-Y201 HydrophobicContact CB-CE2 4.32Å
196	K	98.6	Very high	98.2	Very high	45 Å²	45	44.5 Å²	44.5	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-43	176.3	-72.7	-177.4	77.4	149.2	0	111.3	I192 N200 Y201 V204 P219 D221	I192-K196 HydrophobicContact CG2-CD 4.16Å; I192-K196 HydrophobicContact CG2-CG 4.42Å; I192-K196 WeakPolarHBondContact O-CG 3.36Å; I192-K196 PolarHBondContact O-N 2.65Å; K196-N200 WeakPolarHBondContact O-CA 3.28Å; K196-N200 PolarHBondContact O-N 3.24Å; K196-Y201 PolarHBondContact O-N 3.1Å; K196-V204 HydrophobicContact CD-CB 4.35Å; K196-V204 HydrophobicContact CD-CG2 4.04Å; K196-V204 HydrophobicContact CG-CB 4.25Å; K196-V204 HydrophobicContact CG-CG2 3.48Å; K196-V204 VanDerWaalsContact CG-CG2 3.48Å; K196-P219 WeakPolarHBondContact CD-O 3.43Å; K196-P219 PolarHBondContact NZ-O 3.11Å; K196-D221 IonicContact NZ-OD1 3.51Å; K196-D221 PolarHBondContact NZ-OD1 3.41Å; K196-D221 IonicContact NZ-OD2 3.41Å; K196-D221 PolarHBondContact NZ-OD2 3.23Å
197	K	98.1	Very high	98.4	Very high	183 Å²	183	43.5 Å²	43.5	80%	0.796	21%	0.212	S	C	*	.	H	α-helix	trans	-70.5	-45.5	178.4	-176.2	179.3	178.1	-177.9	0	112.8	A193 L194 L195	A193-K197 WeakPolarHBondContact O-CB 3.26Å; A193-K197 PolarHBondContact O-N 3.46Å; A193-K197 VanDerWaalsContact O-N 3.08Å; L194-K197 PolarHBondContact O-N 3.49Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.97Å
198	M	97.9	Very high	98.4	Very high	103 Å²	103	43.4 Å²	43.4	51%	0.507	21%	0.211	S	C	.	.	H	α-helix	trans	-68.6	-40.6	-172.9	-176.5	179.2	-63.7	0	0	112.2	L194 L195	L194-M198 HydrophobicContact CD1-CE 3.8Å; L194-M198 HydrophobicContact CD2-CE 4.34Å; L194-M198 HydrophobicContact CG-CE 4.03Å; L194-M198 WeakPolarHBondContact O-CB 3.3Å; L194-M198 PolarHBondContact O-N 2.84Å; L195-M198 PolarHBondContact O-N 2.68Å
199	Y	98	Very high	98.4	Very high	105 Å²	105	43 Å²	43	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-109.1	1.2	-175.3	-60.5	-72.8	0	0	0	113.3	Y132 L195 Y201	Y132-Y199 WeakPolarHBondContact OH-CD2 3.22Å; Y132-Y199 VanDerWaalsContact OH-CE2 3.29Å; Y132-Y199 WeakPolarHBondContact OH-CE2 3.29Å; L195-Y199 HydrophobicContact CD2-CD2 3.97Å; L195-Y199 HydrophobicContact CD2-CE2 3.73Å; L195-Y199 PolarHBondContact O-N 3.33Å; Y199-Y201 VanDerWaalsContact CB-CE2 3.49Å; Y199-Y201 VanDerWaalsContact CB-CZ 3.41Å; Y199-Y201 AromaticContact CD2-CE2 3.68Å; Y199-Y201 HydrophobicContact CD2-CE2 3.68Å; Y199-Y201 AromaticContact CG-CE2 3.87Å; Y199-Y201 HydrophobicContact CG-CE2 3.87Å; Y199-Y201 AromaticContact CG-CZ 3.8Å; Y199-Y201 PolarHBondContact O-N 3.44Å
200	N	97.6	Very high	98.3	Very high	128 Å²	128	43.3 Å²	43.3	68%	0.684	21%	0.212	S	C	*	.			trans	54.6	37.2	-177.9	-160.7	75.9	0	0	0	112.9	K196 K202	K196-N200 WeakPolarHBondContact O-CA 3.28Å; K196-N200 PolarHBondContact O-N 3.24Å; N200-K202 PolarHBondContact O-N 2.88Å
201	Y	98.4	Very high	98.1	Very high	23 Å²	23	45.1 Å²	45.1	9%	0.09	23%	0.227	C	C	.	.			trans	-63	131.2	174.2	-63.4	-49.2	0	0	0	110.2	D41 A42 H130 Y132 L195 K196 Y199 V204	D41-Y201 HydrophobicContact CB-CD1 3.68Å; D41-Y201 HydrophobicContact CB-CE1 4.45Å; D41-Y201 HydrophobicContact CB-CG 4.33Å; A42-Y201 HydrophobicContact CB-CD1 4.21Å; A42-Y201 HydrophobicContact CB-CD2 3.85Å; A42-Y201 HydrophobicContact CB-CE1 4.13Å; A42-Y201 HydrophobicContact CB-CE2 3.75Å; A42-Y201 HydrophobicContact CB-CG 4.09Å; H130-Y201 AromaticContact ND1-CE1 3.53Å; H130-Y201 AromaticContact ND1-CZ 3.51Å; H130-Y201 PolarHBondContact ND1-OH 2.93Å; Y132-Y201 AromaticContact CE2-CE2 3.88Å; Y132-Y201 HydrophobicContact CE2-CE2 3.88Å; Y132-Y201 PolarHBondContact OH-OH 3.35Å; L195-Y201 HydrophobicContact CB-CD2 4.31Å; L195-Y201 HydrophobicContact CB-CE2 4.32Å; K196-Y201 PolarHBondContact O-N 3.1Å; Y199-Y201 VanDerWaalsContact CB-CE2 3.49Å; Y199-Y201 VanDerWaalsContact CB-CZ 3.41Å; Y199-Y201 AromaticContact CD2-CE2 3.68Å; Y199-Y201 HydrophobicContact CD2-CE2 3.68Å; Y199-Y201 AromaticContact CG-CE2 3.87Å; Y199-Y201 HydrophobicContact CG-CE2 3.87Å; Y199-Y201 AromaticContact CG-CZ 3.8Å; Y199-Y201 PolarHBondContact O-N 3.44Å; Y201-V204 HydrophobicContact CD2-CG2 3.97Å; Y201-V204 HydrophobicContact CG-CG2 4.06Å
202	K	97.8	Very high	97.9	Very high	166 Å²	166	46.6 Å²	46.6	72%	0.722	24%	0.237	S	C	*	.	S	Bend	trans	-84.3	-36.4	174.6	-61.7	179.1	-179.7	175.8	0	110.6	D41 N200	D41-K202 WeakPolarHBondContact OD2-CA 3.48Å; D41-K202 WeakPolarHBondContact OD2-CB 3.5Å; D41-K202 PolarHBondContact OD2-N 2.75Å; N200-K202 PolarHBondContact O-N 2.88Å
203	T	98.3	Very high	97.9	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.172	24%	0.237	C	C	.	.			trans	-131.3	113.7	-176.9	-55.3	0	0	0	0	111.4	V36 D41 A42 D221	V36-T203 HydrophobicContact CG1-CG2 3.53Å; D41-T203 PolarHBondContact N-O 3.2Å; D41-T203 PolarHBondContact OD2-N 2.69Å; A42-T203 PolarHBondContact N-O 3.13Å; T203-D221 WeakPolarHBondContact CA-OD2 3.5Å; T203-D221 HydrophobicContact CG2-CB 4.29Å
204	V	98.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.3	175	-174.8	0	0	0	0	109.7	A42 I192 K196 Y201 A220 D221	A42-V204 HydrophobicContact CB-CG1 4.5Å; A42-V204 HydrophobicContact CB-CG2 4.29Å; A42-V204 WeakPolarHBondContact O-CA 3.28Å; I192-V204 HydrophobicContact CG2-CB 4.25Å; I192-V204 HydrophobicContact CG2-CG1 3.91Å; K196-V204 HydrophobicContact CD-CB 4.35Å; K196-V204 HydrophobicContact CD-CG2 4.04Å; K196-V204 HydrophobicContact CG-CB 4.25Å; K196-V204 HydrophobicContact CG-CG2 3.48Å; K196-V204 VanDerWaalsContact CG-CG2 3.48Å; Y201-V204 HydrophobicContact CD2-CG2 3.97Å; Y201-V204 HydrophobicContact CG-CG2 4.06Å; V204-A220 CarbonylContact O-C 3.58Å; V204-D221 PolarHBondContact N-OD2 2.9Å; V204-D221 PolarHBondContact O-N 3.02Å
205	V	98.9	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.5	177.6	-178.1	0	0	0	0	110.3	V36 W37 A40 A42 V43 C44 V207 A222 I224	V36-V205 HydrophobicContact CG1-CG2 4.01Å; W37-V205 HydrophobicContact CE3-CB 4.28Å; W37-V205 HydrophobicContact CE3-CG1 3.98Å; W37-V205 HydrophobicContact CE3-CG2 4.4Å; W37-V205 HydrophobicContact CZ3-CG1 4.37Å; A40-V205 HydrophobicContact CB-CG2 3.85Å; A42-V205 PolarHBondContact O-N 3.34Å; V43-V205 WeakPolarHBondContact CA-O 3.27Å; C44-V205 PolarHBondContact N-O 3.1Å; V205-V207 HydrophobicContact CG1-CG2 4.28Å; V205-A222 HydrophobicContact CG1-CB 4.26Å; V205-A222 HydrophobicContact CG2-CB 4.25Å; V205-I224 HydrophobicContact CG1-CD1 3.74Å; V205-I224 HydrophobicContact CG1-CG1 3.92Å
206	M	98.9	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.8	169.9	-174	63.4	-163	0	0	110.5	C44 D46 K188 I192 D213 A216 A220 A222 F223 I224	C44-M206 HydrophobicContact CB-SD 3.59Å; C44-M206 VanDerWaalsContact CB-SD 3.59Å; C44-M206 CarbonylContact O-C 3.17Å; C44-M206 WeakPolarHBondContact O-CA 3.4Å; C44-M206 VanDerWaalsContact O-SD 3.36Å; D46-M206 HydrophobicContact CB-CE 4.26Å; K188-M206 HydrophobicContact CD-CE 3.76Å; I192-M206 HydrophobicContact CD1-CB 4Å; I192-M206 HydrophobicContact CD1-CG 4.32Å; I192-M206 HydrophobicContact CD1-SD 4.02Å; M206-D213 HydrophobicContact CE-CB 4.11Å; M206-D213 WeakPolarHBondContact CE-OD1 3.2Å; M206-D213 HydrophobicContact CG-CB 4.35Å; M206-A216 HydrophobicContact CB-CB 4.37Å; M206-A216 HydrophobicContact CG-CB 3.97Å; M206-A220 HydrophobicContact CB-CB 4.06Å; M206-A222 PolarHBondContact N-O 2.63Å; M206-F223 HydrophobicContact CB-CD2 4.24Å; M206-F223 HydrophobicContact CG-CD2 4.17Å; M206-F223 CarbonylContact O-C 3.59Å; M206-F223 WeakPolarHBondContact O-CA 3.5Å; M206-I224 PolarHBondContact O-N 3.21Å
207	V	98.9	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.4	174.4	-172.3	0	0	0	0	109.4	W37 V43 C44 F45 D46 V205 I224 F226 F246 L249	W37-V207 HydrophobicContact CZ3-CG2 4.18Å; V43-V207 HydrophobicContact CG1-CG2 3.9Å; C44-V207 PolarHBondContact O-N 3.15Å; F45-V207 WeakPolarHBondContact CA-O 3.43Å; F45-V207 HydrophobicContact CD1-CB 3.62Å; F45-V207 HydrophobicContact CD1-CG1 3.92Å; F45-V207 HydrophobicContact CD1-CG2 4.18Å; F45-V207 HydrophobicContact CE1-CB 3.74Å; F45-V207 HydrophobicContact CE1-CG1 3.87Å; F45-V207 HydrophobicContact CE1-CG2 3.86Å; F45-V207 HydrophobicContact CG-CB 4.45Å; F45-V207 HydrophobicContact CZ-CG2 4.37Å; D46-V207 PolarHBondContact N-O 3.18Å; V205-V207 HydrophobicContact CG1-CG2 4.28Å; V207-I224 WeakPolarHBondContact CA-O 3.28Å; V207-I224 HydrophobicContact CG1-CB 4.47Å; V207-I224 HydrophobicContact CG2-CB 4.2Å; V207-I224 HydrophobicContact CG2-CD1 4.31Å; V207-F226 HydrophobicContact CG1-CB 4.41Å; V207-F246 HydrophobicContact CG1-CE1 4.32Å; V207-L249 HydrophobicContact CG1-CD1 4.24Å
208	G	98.7	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	167.8	-179.4	0	0	0	0	0	114	T50 F223 I224 G225 F226	T50-G208 WeakPolarHBondContact OG1-CA 3.5Å; G208-F223 WeakPolarHBondContact O-CZ 3.41Å; G208-I224 PolarHBondContact N-O 3.48Å; G208-G225 WeakPolarHBondContact O-CA 3.38Å; G208-F226 PolarHBondContact O-N 3.3Å
209	D	98.3	Very high	97.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-99.6	-14.5	-177.2	72.5	-72.9	0	0	0	113.9	S49 T50 F226 R232 V235	S49-D209 WeakPolarHBondContact CB-OD1 3.29Å; S49-D209 WeakPolarHBondContact CB-OD2 3.23Å; T50-D209 PolarHBondContact OG1-N 2.87Å; T50-D209 VanDerWaalsContact OG1-N 3.16Å; T50-D209 PolarHBondContact OG1-OD1 3.01Å; D209-F226 VanDerWaalsContact CA-O 3.31Å; D209-F226 WeakPolarHBondContact CA-O 3.17Å; D209-F226 WeakPolarHBondContact CB-O 2.99Å; D209-R232 WeakPolarHBondContact O-CD 3.34Å; D209-R232 IonicContact OD2-CZ 2.81Å; D209-R232 IonicContact OD2-NE 3.75Å; D209-R232 PolarHBondContact OD2-NE 2.96Å; D209-R232 IonicContact OD2-NH2 3.35Å; D209-R232 PolarHBondContact OD2-NH2 3.33Å; D209-V235 VanDerWaalsContact O-CG2 3.31Å; D209-V235 WeakPolarHBondContact O-CG2 3.46Å
210	G	95.6	Very high	97.5	Very high	8 Å²	8	33.3 Å²	33.3	8%	0.082	19%	0.188	C	C	.	.	S	Bend	trans	-97.5	167.2	-167.6	0	0	0	0	0	115.5	T212 D213 V214 V235	G210-T212 VanDerWaalsContact C-N 3.3Å; G210-T212 PolarHBondContact O-N 3.08Å; G210-D213 WeakPolarHBondContact CA-OD2 3.36Å; G210-D213 PolarHBondContact N-OD2 3.13Å; G210-D213 WeakPolarHBondContact O-CB 3.4Å; G210-D213 PolarHBondContact O-N 3.3Å; G210-V214 PolarHBondContact O-N 3.37Å; G210-V235 VanDerWaalsContact C-CG2 3.47Å; G210-V235 WeakPolarHBondContact O-CG2 3.42Å
211	A	94.1	Very high	97.6	Very high	48 Å²	48	30.6 Å²	30.6	40%	0.397	17%	0.173	S	C	.	.	H	α-helix	trans	-66.3	-33.2	175	0	0	0	0	0	112.2	D213 V214 E215	A211-D213 PolarHBondContact O-N 3.08Å; A211-V214 WeakPolarHBondContact O-CB 3.44Å; A211-V214 PolarHBondContact O-N 3.14Å; A211-E215 WeakPolarHBondContact O-CG 3.4Å; A211-E215 PolarHBondContact O-N 3.3Å; A211-E215 VanDerWaalsContact O-N 3.12Å
212	T	95.2	Very high	97.6	Very high	33 Å²	33	29.7 Å²	29.7	20%	0.202	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-22.7	177.9	57.5	0	0	0	0	112.6	G210	G210-T212 VanDerWaalsContact C-N 3.3Å; G210-T212 PolarHBondContact O-N 3.08Å
213	D	98.1	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-75.1	-41.3	173.3	-52.3	-73	0	0	0	111.8	D46 K188 M206 G210 A211 E215 A216 F223	D46-D213 WeakPolarHBondContact CB-OD1 3.27Å; K188-D213 VanDerWaalsContact CD-OD1 3.28Å; K188-D213 WeakPolarHBondContact CD-OD1 3.36Å; K188-D213 WeakPolarHBondContact CE-OD1 3.44Å; K188-D213 VanDerWaalsContact NZ-CG 3.27Å; K188-D213 IonicContact NZ-OD1 2.89Å; K188-D213 PolarHBondContact NZ-OD1 3.46Å; K188-D213 IonicContact NZ-OD2 3.51Å; K188-D213 PolarHBondContact NZ-OD2 3.19Å; M206-D213 HydrophobicContact CE-CB 4.11Å; M206-D213 WeakPolarHBondContact CE-OD1 3.2Å; M206-D213 HydrophobicContact CG-CB 4.35Å; G210-D213 WeakPolarHBondContact CA-OD2 3.36Å; G210-D213 PolarHBondContact N-OD2 3.13Å; G210-D213 WeakPolarHBondContact O-CB 3.4Å; G210-D213 PolarHBondContact O-N 3.3Å; A211-D213 PolarHBondContact O-N 3.08Å; D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 3.44Å; D213-A216 VanDerWaalsContact O-CB 3.28Å; D213-A216 WeakPolarHBondContact O-CB 3.46Å; D213-A216 PolarHBondContact O-N 3.28Å; D213-A216 VanDerWaalsContact O-N 3.11Å; D213-F223 HydrophobicContact CB-CD2 4.19Å; D213-F223 HydrophobicContact CB-CE2 3.45Å; D213-F223 VanDerWaalsContact CB-CE2 3.45Å; D213-F223 HydrophobicContact CB-CZ 4.12Å
214	V	97	Very high	97.6	Very high	26 Å²	26	21.1 Å²	21.1	16%	0.158	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-44.5	173.2	-178.9	0	0	0	0	110.1	G210 A211 A216 S217 F223 V235 R238	G210-V214 PolarHBondContact O-N 3.37Å; A211-V214 WeakPolarHBondContact O-CB 3.44Å; A211-V214 PolarHBondContact O-N 3.14Å; V214-A216 PolarHBondContact O-N 3.46Å; V214-A216 VanDerWaalsContact O-N 3.12Å; V214-S217 PolarHBondContact O-N 3.36Å; V214-F223 HydrophobicContact CB-CE1 4.31Å; V214-F223 HydrophobicContact CG2-CD1 4.13Å; V214-F223 HydrophobicContact CG2-CE1 3.49Å; V214-F223 VanDerWaalsContact CG2-CE1 3.49Å; V214-F223 HydrophobicContact CG2-CZ 3.76Å; V214-V235 HydrophobicContact CG2-CB 4.25Å; V214-V235 HydrophobicContact CG2-CG1 3.8Å; V214-V235 HydrophobicContact CG2-CG2 3.99Å; V214-R238 HydrophobicContact CG1-CB 4.06Å
215	E	96.3	Very high	97.6	Very high	78 Å²	78	21.1 Å²	21.1	36%	0.364	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.7	178.7	-72.7	170.2	-160.3	0	0	112.8	G182 P189 A211 D213 S217	G182-E215 WeakPolarHBondContact CA-OE2 3.41Å; G182-E215 PolarHBondContact N-OE2 2.9Å; P189-E215 HydrophobicContact CG-CB 4.27Å; P189-E215 WeakPolarHBondContact CG-O 3.38Å; A211-E215 WeakPolarHBondContact O-CG 3.4Å; A211-E215 PolarHBondContact O-N 3.3Å; A211-E215 VanDerWaalsContact O-N 3.12Å; D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 3.44Å; E215-S217 PolarHBondContact O-N 3.42Å
216	A	97.3	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.5	-176.9	0	0	0	0	0	113.9	K188 P189 I192 M206 D213 V214 P218 P219 A220	K188-A216 HydrophobicContact CB-CB 3.87Å; P189-A216 HydrophobicContact CG-CB 4.47Å; I192-A216 HydrophobicContact CD1-CB 3.64Å; M206-A216 HydrophobicContact CB-CB 4.37Å; M206-A216 HydrophobicContact CG-CB 3.97Å; D213-A216 VanDerWaalsContact O-CB 3.28Å; D213-A216 WeakPolarHBondContact O-CB 3.46Å; D213-A216 PolarHBondContact O-N 3.28Å; D213-A216 VanDerWaalsContact O-N 3.11Å; V214-A216 PolarHBondContact O-N 3.46Å; V214-A216 VanDerWaalsContact O-N 3.12Å; A216-P218 CarbonylContact C-O 3.59Å; A216-P218 CarbonylContact O-C 3.54Å; A216-P219 VanDerWaalsContact O-CD 3.27Å; A216-P219 WeakPolarHBondContact O-CD 3.49Å; A216-P219 VanDerWaalsContact O-N 3.07Å; A216-A220 VanDerWaalsContact O-CB 3.25Å; A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 3.34Å
217	S	96.8	Very high	97.6	Very high	42 Å²	42	21.4 Å²	21.4	29%	0.294	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	107.2	173.9	-170.5	0	0	0	0	110.7	V214 E215 A220	V214-S217 PolarHBondContact O-N 3.36Å; E215-S217 PolarHBondContact O-N 3.42Å; S217-A220 PolarHBondContact OG-O 3.34Å
218	P	96.7	Very high	97.5	Very high	80 Å²	80	23.2 Å²	23.2	52%	0.519	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	cis	-74.6	156.3	-1.6	31.7	-36	0	0	0	113.3	A216	A216-P218 CarbonylContact C-O 3.59Å; A216-P218 CarbonylContact O-C 3.54Å
219	P	97.7	Very high	97.5	Very high	35 Å²	35	25.5 Å²	25.5	23%	0.227	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.6	-2.1	20.3	36	-37	0	0	0	116.8	P189 I192 A193 K196 A216	P189-P219 VanDerWaalsContact O-CG 3.23Å; P189-P219 WeakPolarHBondContact O-CG 3.5Å; I192-P219 HydrophobicContact CB-CG 4.02Å; I192-P219 HydrophobicContact CG2-CG 3.93Å; A193-P219 HydrophobicContact CB-CG 4.03Å; K196-P219 WeakPolarHBondContact CD-O 3.43Å; K196-P219 PolarHBondContact NZ-O 3.11Å; A216-P219 VanDerWaalsContact O-CD 3.27Å; A216-P219 WeakPolarHBondContact O-CD 3.49Å; A216-P219 VanDerWaalsContact O-N 3.07Å
220	A	98.5	Very high	97.3	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.033	18%	0.181	C	C	.	.	S	Bend	trans	-59.5	140.5	167.1	0	0	0	0	0	109.9	I192 V204 M206 A216 S217 A222	I192-A220 HydrophobicContact CD1-CB 3.78Å; I192-A220 HydrophobicContact CG2-CB 4.19Å; V204-A220 CarbonylContact O-C 3.58Å; M206-A220 HydrophobicContact CB-CB 4.06Å; A216-A220 VanDerWaalsContact O-CB 3.25Å; A216-A220 WeakPolarHBondContact O-CB 3.35Å; A216-A220 PolarHBondContact O-N 3.34Å; S217-A220 PolarHBondContact OG-O 3.34Å; A220-A222 PolarHBondContact O-N 3.33Å
221	D	98.6	Very high	97.4	Very high	70 Å²	70	31.9 Å²	31.9	37%	0.374	20%	0.198	S	C	.	.	S	Bend	trans	-73	-22.8	180	-55.4	-75.3	0	0	0	111.3	V36 K196 T203 V204	V36-D221 HydrophobicContact CG1-CB 3.88Å; K196-D221 IonicContact NZ-OD1 3.51Å; K196-D221 PolarHBondContact NZ-OD1 3.41Å; K196-D221 IonicContact NZ-OD2 3.41Å; K196-D221 PolarHBondContact NZ-OD2 3.23Å; T203-D221 WeakPolarHBondContact CA-OD2 3.5Å; T203-D221 HydrophobicContact CG2-CB 4.29Å; V204-D221 PolarHBondContact N-OD2 2.9Å; V204-D221 PolarHBondContact O-N 3.02Å
222	A	98.4	Very high	97.5	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.8	169.2	0	0	0	0	0	112	V33 V36 V205 M206 A220	V33-A222 HydrophobicContact CG1-CB 3.93Å; V36-A222 HydrophobicContact CB-CB 4.1Å; V36-A222 HydrophobicContact CG1-CB 3.66Å; V205-A222 HydrophobicContact CG1-CB 4.26Å; V205-A222 HydrophobicContact CG2-CB 4.25Å; M206-A222 PolarHBondContact N-O 2.63Å; A220-A222 PolarHBondContact O-N 3.33Å
223	F	98.6	Very high	97.5	Very high	14 Å²	14	37.8 Å²	37.8	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	164.4	168.9	-111	0	0	0	109.6	M206 G208 D213 V214 V235 A239	M206-F223 HydrophobicContact CB-CD2 4.24Å; M206-F223 HydrophobicContact CG-CD2 4.17Å; M206-F223 CarbonylContact O-C 3.59Å; M206-F223 WeakPolarHBondContact O-CA 3.5Å; G208-F223 WeakPolarHBondContact O-CZ 3.41Å; D213-F223 HydrophobicContact CB-CD2 4.19Å; D213-F223 HydrophobicContact CB-CE2 3.45Å; D213-F223 VanDerWaalsContact CB-CE2 3.45Å; D213-F223 HydrophobicContact CB-CZ 4.12Å; V214-F223 HydrophobicContact CB-CE1 4.31Å; V214-F223 HydrophobicContact CG2-CD1 4.13Å; V214-F223 HydrophobicContact CG2-CE1 3.49Å; V214-F223 VanDerWaalsContact CG2-CE1 3.49Å; V214-F223 HydrophobicContact CG2-CZ 3.76Å; F223-V235 HydrophobicContact CE1-CG1 3.88Å; F223-V235 HydrophobicContact CZ-CG1 3.69Å; F223-A239 HydrophobicContact CD1-CB 4.19Å; F223-A239 HydrophobicContact CE1-CB 3.83Å
224	I	98.8	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.4	172.6	-56.2	175.5	0	0	0	107.4	V33 W37 V205 M206 V207 G208 W241 V243 L249	V33-I224 HydrophobicContact CG1-CG1 3.88Å; W37-I224 HydrophobicContact CB-CD1 4.24Å; W37-I224 HydrophobicContact CD2-CD1 3.86Å; W37-I224 HydrophobicContact CE3-CD1 3.57Å; W37-I224 HydrophobicContact CG-CD1 4.16Å; W37-I224 HydrophobicContact CZ3-CD1 4.18Å; V205-I224 HydrophobicContact CG1-CD1 3.74Å; V205-I224 HydrophobicContact CG1-CG1 3.92Å; M206-I224 PolarHBondContact O-N 3.21Å; V207-I224 WeakPolarHBondContact CA-O 3.28Å; V207-I224 HydrophobicContact CG1-CB 4.47Å; V207-I224 HydrophobicContact CG2-CB 4.2Å; V207-I224 HydrophobicContact CG2-CD1 4.31Å; G208-I224 PolarHBondContact N-O 3.48Å; I224-W241 WeakPolarHBondContact CA-O 3.34Å; I224-W241 HydrophobicContact CD1-CE3 3.53Å; I224-W241 HydrophobicContact CD1-CZ3 3.62Å; I224-W241 HydrophobicContact CG1-CE3 3.8Å; I224-W241 HydrophobicContact CG1-CZ3 4.39Å; I224-W241 HydrophobicContact CG2-CD2 4.38Å; I224-W241 HydrophobicContact CG2-CE3 4.19Å; I224-V243 HydrophobicContact CG2-CG2 4.22Å; I224-L249 HydrophobicContact CD1-CD2 4.22Å; I224-L249 HydrophobicContact CG2-CD1 4.3Å; I224-L249 HydrophobicContact CG2-CD2 3.94Å
225	G	98.7	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.1	176.4	0	0	0	0	0	111	G208 W241 Y242 V243	G208-G225 WeakPolarHBondContact O-CA 3.38Å; G225-W241 PolarHBondContact N-O 3.04Å; G225-Y242 CarbonylContact O-C 3.6Å; G225-Y242 WeakPolarHBondContact O-CA 3.24Å; G225-V243 PolarHBondContact O-N 2.84Å
226	F	98.8	Very high	97.3	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.6	174.9	-173.2	-104.9	0	0	0	110.8	T50 T114 V207 G208 D209 G228 Y242 V243 F246	T50-F226 HydrophobicContact CG2-CB 4.36Å; T50-F226 HydrophobicContact CG2-CD1 4.25Å; T50-F226 HydrophobicContact CG2-CG 4.44Å; T114-F226 HydrophobicContact CG2-CE1 3.9Å; T114-F226 HydrophobicContact CG2-CZ 3.61Å; V207-F226 HydrophobicContact CG1-CB 4.41Å; G208-F226 PolarHBondContact O-N 3.3Å; D209-F226 VanDerWaalsContact CA-O 3.31Å; D209-F226 WeakPolarHBondContact CA-O 3.17Å; D209-F226 WeakPolarHBondContact CB-O 2.99Å; F226-G228 VanDerWaalsContact CE1-N 3.34Å; F226-Y242 PolarHBondContact O-OH 3.06Å; F226-V243 CarbonylContact C-O 3.53Å; F226-V243 WeakPolarHBondContact CA-O 3.34Å; F226-V243 HydrophobicContact CD2-CG2 4.01Å; F226-F246 HydrophobicContact CD1-CZ 4.15Å; F226-F246 HydrophobicContact CD2-CD1 4.06Å; F226-F246 AromaticContact CD2-CE1 3.58Å; F226-F246 HydrophobicContact CD2-CE1 3.58Å; F226-F246 HydrophobicContact CD2-CE2 4.4Å; F226-F246 AromaticContact CD2-CZ 3.78Å; F226-F246 HydrophobicContact CD2-CZ 3.78Å; F226-F246 HydrophobicContact CE1-CE2 4.05Å; F226-F246 AromaticContact CE1-CZ 3.98Å; F226-F246 HydrophobicContact CE1-CZ 3.98Å; F226-F246 AromaticContact CE2-CD1 3.82Å; F226-F246 HydrophobicContact CE2-CD1 3.82Å; F226-F246 AromaticContact CE2-CD2 3.95Å; F226-F246 HydrophobicContact CE2-CD2 3.95Å; F226-F246 AromaticContact CE2-CE1 3.65Å; F226-F246 HydrophobicContact CE2-CE1 3.65Å; F226-F246 AromaticContact CE2-CE2 3.79Å; F226-F246 HydrophobicContact CE2-CE2 3.79Å; F226-F246 AromaticContact CE2-CG 3.97Å; F226-F246 HydrophobicContact CE2-CG 3.97Å; F226-F246 AromaticContact CE2-CZ 3.63Å; F226-F246 HydrophobicContact CE2-CZ 3.63Å; F226-F246 HydrophobicContact CG-CE1 4.15Å; F226-F246 HydrophobicContact CG-CZ 4.05Å; F226-F246 AromaticContact CZ-CD2 3.96Å; F226-F246 HydrophobicContact CZ-CD2 3.96Å; F226-F246 HydrophobicContact CZ-CE1 4.25Å; F226-F246 AromaticContact CZ-CE2 3.58Å; F226-F246 HydrophobicContact CZ-CE2 3.58Å; F226-F246 HydrophobicContact CZ-CG 4.44Å; F226-F246 AromaticContact CZ-CZ 3.74Å; F226-F246 HydrophobicContact CZ-CZ 3.74Å
227	G	98	Very high	97.2	Very high	5 Å²	5	43.6 Å²	43.6	5%	0.052	26%	0.261	C	S	.	.			trans	-139.8	18.6	-178.3	0	0	0	0	0	114.6	N229 I231 Y242 V243	G227-N229 VanDerWaalsContact C-N 3.32Å; G227-N229 PolarHBondContact O-N 3.06Å; G227-I231 WeakPolarHBondContact O-CG1 3.32Å; G227-Y242 WeakPolarHBondContact CA-OH 3.47Å; G227-V243 PolarHBondContact N-O 3.14Å
228	G	97.9	Very high	97.1	Very high	37 Å²	37	48.2 Å²	48.2	38%	0.381	27%	0.272	S	S	.	.	S	Bend	trans	-69.8	-27.9	-176.6	0	0	0	0	0	113.9	F226 T244	F226-G228 VanDerWaalsContact CE1-N 3.34Å; G228-T244 WeakPolarHBondContact CA-O 3.38Å
229	N	97.5	Very high	97.1	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-103.4	-48.6	177.4	-56.7	-48.1	0	0	0	111.8	S49 C52 Q53 T114 G227	S49-N229 WeakPolarHBondContact O-CB 3.36Å; S49-N229 PolarHBondContact O-ND2 3.26Å; C52-N229 PolarHBondContact O-ND2 2.95Å; Q53-N229 WeakPolarHBondContact CG-OD1 3.36Å; T114-N229 PolarHBondContact OG1-ND2 2.75Å; G227-N229 VanDerWaalsContact C-N 3.32Å; G227-N229 PolarHBondContact O-N 3.06Å
230	V	95.9	Very high	97.1	Very high	56 Å²	56	48.1 Å²	48.1	34%	0.339	26%	0.263	S	S	.	.			trans	-136.2	124.7	-179.2	-177.6	0	0	0	0	109.7	R232	V230-R232 HydrophobicContact CG1-CG 4.17Å
231	I	97.2	Very high	97.1	Very high	86 Å²	86	48.3 Å²	48.3	44%	0.441	26%	0.263	S	S	.	.			trans	-89.3	115.7	172.4	-61.8	176.4	0	0	0	108.9	G227 K236	G227-I231 WeakPolarHBondContact O-CG1 3.32Å; I231-K236 HydrophobicContact CG2-CD 4.25Å
232	R	95.5	Very high	97	Very high	79 Å²	79	47 Å²	47	30%	0.298	25%	0.253	S	S	.	.			trans	-102.6	106.2	171.2	-55.1	-168.1	-162.4	-96.5	-0.9	109.3	E55 D209 V230 G234 V235 K236	E55-R232 IonicContact OE1-NH2 2.73Å; D209-R232 WeakPolarHBondContact O-CD 3.34Å; D209-R232 IonicContact OD2-CZ 2.81Å; D209-R232 IonicContact OD2-NE 3.75Å; D209-R232 PolarHBondContact OD2-NE 2.96Å; D209-R232 IonicContact OD2-NH2 3.35Å; D209-R232 PolarHBondContact OD2-NH2 3.33Å; V230-R232 HydrophobicContact CG1-CG 4.17Å; R232-G234 PolarHBondContact O-N 3.32Å; R232-G234 VanDerWaalsContact O-N 3.16Å; R232-V235 HydrophobicContact CB-CB 4.1Å; R232-V235 HydrophobicContact CB-CG2 3.97Å; R232-V235 WeakPolarHBondContact O-CA 3.11Å; R232-V235 WeakPolarHBondContact O-CB 3.47Å; R232-V235 PolarHBondContact O-N 2.64Å; R232-K236 PolarHBondContact O-N 3.09Å
233	E	95.9	Very high	97	Very high	126 Å²	126	47.1 Å²	47.1	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-54.6	-39	-174.9	-68.1	-57.5	146.9	0	0	113.1	V235 K236 A237	E233-V235 VanDerWaalsContact C-N 3.27Å; E233-V235 PolarHBondContact O-N 3.23Å; E233-K236 PolarHBondContact O-N 3.18Å; E233-A237 WeakPolarHBondContact O-CB 3.2Å; E233-A237 PolarHBondContact O-N 3.41Å
234	G	94.4	Very high	97	Very high	38 Å²	38	50.3 Å²	50.3	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-30.5	175.8	0	0	0	0	0	113.8	R232 R238	R232-G234 PolarHBondContact O-N 3.32Å; R232-G234 VanDerWaalsContact O-N 3.16Å; G234-R238 WeakPolarHBondContact O-CG 3.37Å; G234-R238 PolarHBondContact O-NE 3.39Å; G234-R238 PolarHBondContact O-NH2 2.87Å
235	V	96.1	Very high	97	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-80.6	-45.7	176.6	175.9	0	0	0	0	110.3	D209 G210 V214 F223 R232 E233 A237 R238 A239 Y242	D209-V235 VanDerWaalsContact O-CG2 3.31Å; D209-V235 WeakPolarHBondContact O-CG2 3.46Å; G210-V235 VanDerWaalsContact C-CG2 3.47Å; G210-V235 WeakPolarHBondContact O-CG2 3.42Å; V214-V235 HydrophobicContact CG2-CB 4.25Å; V214-V235 HydrophobicContact CG2-CG1 3.8Å; V214-V235 HydrophobicContact CG2-CG2 3.99Å; F223-V235 HydrophobicContact CE1-CG1 3.88Å; F223-V235 HydrophobicContact CZ-CG1 3.69Å; R232-V235 HydrophobicContact CB-CB 4.1Å; R232-V235 HydrophobicContact CB-CG2 3.97Å; R232-V235 WeakPolarHBondContact O-CA 3.11Å; R232-V235 WeakPolarHBondContact O-CB 3.47Å; R232-V235 PolarHBondContact O-N 2.64Å; E233-V235 VanDerWaalsContact C-N 3.27Å; E233-V235 PolarHBondContact O-N 3.23Å; V235-A237 VanDerWaalsContact C-N 3.25Å; V235-A237 PolarHBondContact O-N 3.48Å; V235-R238 PolarHBondContact O-N 2.81Å; V235-A239 PolarHBondContact O-N 2.81Å; V235-Y242 HydrophobicContact CG1-CE2 4.32Å
236	K	96.6	Very high	97	Very high	97 Å²	97	53.9 Å²	53.9	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-54.4	-41.7	175.2	-175.9	178.2	177.3	-175.7	0	112.4	I231 R232 E233 R238 Y242	I231-K236 HydrophobicContact CG2-CD 4.25Å; R232-K236 PolarHBondContact O-N 3.09Å; E233-K236 PolarHBondContact O-N 3.18Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.46Å; K236-Y242 HydrophobicContact CB-CD1 4.47Å; K236-Y242 HydrophobicContact CB-CD2 4.01Å; K236-Y242 HydrophobicContact CB-CE1 4.27Å; K236-Y242 HydrophobicContact CB-CE2 3.83Å; K236-Y242 HydrophobicContact CB-CG 4.34Å; K236-Y242 HydrophobicContact CD-CD1 4.37Å; K236-Y242 HydrophobicContact CD-CE1 4.2Å; K236-Y242 HydrophobicContact CG-CD1 3.95Å; K236-Y242 HydrophobicContact CG-CD2 4.19Å; K236-Y242 HydrophobicContact CG-CE1 4.06Å; K236-Y242 HydrophobicContact CG-CE2 4.34Å; K236-Y242 HydrophobicContact CG-CG 4.01Å
237	A	95.3	Very high	97	Very high	89 Å²	89	55.8 Å²	55.8	74%	0.736	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.6	177.9	0	0	0	0	0	114.3	E233 V235	E233-A237 WeakPolarHBondContact O-CB 3.2Å; E233-A237 PolarHBondContact O-N 3.41Å; V235-A237 VanDerWaalsContact C-N 3.25Å; V235-A237 PolarHBondContact O-N 3.48Å
238	R	94.9	Very high	97	Very high	139 Å²	139	58.7 Å²	58.7	53%	0.525	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-19.3	-178	-69.8	-174.3	-63.5	-116.8	2.3	113.6	V214 G234 V235 K236	V214-R238 HydrophobicContact CG1-CB 4.06Å; G234-R238 WeakPolarHBondContact O-CG 3.37Å; G234-R238 PolarHBondContact O-NE 3.39Å; G234-R238 PolarHBondContact O-NH2 2.87Å; V235-R238 PolarHBondContact O-N 2.81Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.46Å
239	A	96.2	Very high	97	Very high	16 Å²	16	56.9 Å²	56.9	13%	0.132	30%	0.301	C	S	.	.			trans	-75.7	123.4	177.7	0	0	0	0	0	110.4	F223 V235 W241 Y242	F223-A239 HydrophobicContact CD1-CB 4.19Å; F223-A239 HydrophobicContact CE1-CB 3.83Å; V235-A239 PolarHBondContact O-N 2.81Å; A239-W241 VanDerWaalsContact C-N 3.25Å; A239-Y242 HydrophobicContact CB-CD2 3.89Å
240	K	96.6	Very high	97	Very high	97 Å²	97	57.5 Å²	57.5	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-68.9	-26.8	171.4	-76.3	-179	170.5	-172.5	0	112.3	H29 E32 V33	H29-K240 HydrophobicContact CB-CB 4.28Å; H29-K240 HydrophobicContact CB-CD 4.05Å; H29-K240 HydrophobicContact CB-CG 4.03Å; E32-K240 IonicContact OE2-NZ 3.14Å; E32-K240 PolarHBondContact OE2-NZ 3.44Å; V33-K240 HydrophobicContact CG2-CB 3.59Å; V33-K240 HydrophobicContact CG2-CD 4.06Å
241	W	98.2	Very high	97.1	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.4	168.4	-172.5	26.5	0	0	0	108.9	E30 V33 K34 W37 I224 G225 A239 V243 V248 L249 D252	E30-W241 HydrophobicContact CG-CB 4.14Å; E30-W241 HydrophobicContact CG-CG 3.91Å; V33-W241 HydrophobicContact CB-CB 4.02Å; V33-W241 HydrophobicContact CG1-CB 3.8Å; V33-W241 HydrophobicContact CG1-CE3 3.84Å; K34-W241 HydrophobicContact CD-CZ2 4.37Å; K34-W241 HydrophobicContact CG-CD2 4.06Å; K34-W241 HydrophobicContact CG-CE3 4Å; K34-W241 HydrophobicContact CG-CH2 3.75Å; K34-W241 HydrophobicContact CG-CZ2 3.82Å; K34-W241 HydrophobicContact CG-CZ3 3.85Å; W37-W241 HydrophobicContact CB-CZ3 3.81Å; W37-W241 AromaticContact CD1-CH2 3.76Å; W37-W241 AromaticContact CD1-CZ3 3.64Å; W37-W241 HydrophobicContact CD2-CZ3 4.36Å; W37-W241 HydrophobicContact CG-CH2 4.25Å; W37-W241 AromaticContact CG-CZ3 3.66Å; W37-W241 HydrophobicContact CG-CZ3 3.66Å; I224-W241 WeakPolarHBondContact CA-O 3.34Å; I224-W241 HydrophobicContact CD1-CE3 3.53Å; I224-W241 HydrophobicContact CD1-CZ3 3.62Å; I224-W241 HydrophobicContact CG1-CE3 3.8Å; I224-W241 HydrophobicContact CG1-CZ3 4.39Å; I224-W241 HydrophobicContact CG2-CD2 4.38Å; I224-W241 HydrophobicContact CG2-CE3 4.19Å; G225-W241 PolarHBondContact N-O 3.04Å; A239-W241 VanDerWaalsContact C-N 3.25Å; W241-V243 HydrophobicContact CD2-CG1 4.44Å; W241-V243 HydrophobicContact CZ2-CG1 4.27Å; W241-V248 HydrophobicContact CZ2-CG1 4.15Å; W241-L249 HydrophobicContact CD2-CD2 4.37Å; W241-L249 HydrophobicContact CE3-CD2 4.12Å; W241-L249 HydrophobicContact CH2-CD2 3.37Å; W241-L249 HydrophobicContact CZ2-CD2 3.62Å; W241-L249 HydrophobicContact CZ3-CD2 3.64Å; W241-D252 HydrophobicContact CH2-CB 3.84Å; W241-D252 HydrophobicContact CZ2-CB 4.28Å
242	Y	98.3	Very high	97.1	Very high	43 Å²	43	56.8 Å²	56.8	17%	0.169	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.6	-177.3	-167.4	-91.4	0	0	0	109.7	G225 F226 G227 V235 K236 A239 T244	G225-Y242 CarbonylContact O-C 3.6Å; G225-Y242 WeakPolarHBondContact O-CA 3.24Å; F226-Y242 PolarHBondContact O-OH 3.06Å; G227-Y242 WeakPolarHBondContact CA-OH 3.47Å; V235-Y242 HydrophobicContact CG1-CE2 4.32Å; K236-Y242 HydrophobicContact CB-CD1 4.47Å; K236-Y242 HydrophobicContact CB-CD2 4.01Å; K236-Y242 HydrophobicContact CB-CE1 4.27Å; K236-Y242 HydrophobicContact CB-CE2 3.83Å; K236-Y242 HydrophobicContact CB-CG 4.34Å; K236-Y242 HydrophobicContact CD-CD1 4.37Å; K236-Y242 HydrophobicContact CD-CE1 4.2Å; K236-Y242 HydrophobicContact CG-CD1 3.95Å; K236-Y242 HydrophobicContact CG-CD2 4.19Å; K236-Y242 HydrophobicContact CG-CE1 4.06Å; K236-Y242 HydrophobicContact CG-CE2 4.34Å; K236-Y242 HydrophobicContact CG-CG 4.01Å; A239-Y242 HydrophobicContact CB-CD2 3.89Å; Y242-T244 HydrophobicContact CE1-CG2 4.12Å
243	V	98.4	Very high	97.1	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.7	-178.3	-58.1	0	0	0	0	111.1	I224 G225 F226 G227 W241 V248 L249	I224-V243 HydrophobicContact CG2-CG2 4.22Å; G225-V243 PolarHBondContact O-N 2.84Å; F226-V243 CarbonylContact C-O 3.53Å; F226-V243 WeakPolarHBondContact CA-O 3.34Å; F226-V243 HydrophobicContact CD2-CG2 4.01Å; G227-V243 PolarHBondContact N-O 3.14Å; W241-V243 HydrophobicContact CD2-CG1 4.44Å; W241-V243 HydrophobicContact CZ2-CG1 4.27Å; V243-V248 HydrophobicContact CG1-CB 4.21Å; V243-V248 HydrophobicContact CG1-CG1 3.82Å; V243-L249 HydrophobicContact CB-CD2 4.41Å; V243-L249 HydrophobicContact CG1-CD2 3.76Å; V243-L249 HydrophobicContact CG1-CG 4.5Å; V243-L249 HydrophobicContact CG2-CD1 4.09Å; V243-L249 HydrophobicContact CG2-CD2 3.88Å; V243-L249 HydrophobicContact CG2-CG 3.9Å
244	T	98.4	Very high	96.8	Very high	82 Å²	82	50.5 Å²	50.5	50%	0.503	27%	0.266	S	S	.	.	S	Bend	trans	-117	0.3	177.3	49.5	0	0	0	0	112.5	G228 Y242	G228-T244 WeakPolarHBondContact CA-O 3.38Å; Y242-T244 HydrophobicContact CE1-CG2 4.12Å
245	D	98.4	Very high	96.1	Very high	75 Å²	75	54.2 Å²	54.2	40%	0.401	27%	0.273	S	S	.	.			trans	-143.5	126.7	-179.5	-176.8	-10.6	0	0	0	108.9	D247 V248	D245-D247 PolarHBondContact O-N 3.03Å; D245-D247 WeakPolarHBondContact OD1-CB 3.37Å; D245-D247 PolarHBondContact OD1-N 3.44Å; D245-V248 HydrophobicContact CB-CG2 4.31Å; D245-V248 WeakPolarHBondContact O-CB 3.15Å; D245-V248 PolarHBondContact O-N 3.24Å
246	F	98.7	Very high	94.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-21.8	178.4	-77.3	-52.2	0	0	0	113.1	F45 T50 T114 I117 L120 V207 F226 V248 L249 R250	F45-F246 HydrophobicContact CE1-CE1 4.11Å; T50-F246 HydrophobicContact CG2-CZ 4.06Å; T50-F246 WeakPolarHBondContact O-CE2 3.36Å; T50-F246 WeakPolarHBondContact O-CZ 3.46Å; T114-F246 HydrophobicContact CG2-CD2 3.79Å; T114-F246 HydrophobicContact CG2-CE2 3.53Å; I117-F246 HydrophobicContact CB-CD2 3.75Å; I117-F246 HydrophobicContact CB-CE2 3.84Å; I117-F246 HydrophobicContact CD1-CD1 4.28Å; I117-F246 HydrophobicContact CD1-CD2 4.03Å; I117-F246 HydrophobicContact CD1-CE1 4.07Å; I117-F246 HydrophobicContact CD1-CE2 3.79Å; I117-F246 HydrophobicContact CD1-CG 4.28Å; I117-F246 HydrophobicContact CD1-CZ 3.82Å; I117-F246 HydrophobicContact CG1-CD2 4.36Å; I117-F246 HydrophobicContact CG1-CE2 4.1Å; L120-F246 HydrophobicContact CB-CB 4.44Å; L120-F246 HydrophobicContact CD2-CB 4.06Å; L120-F246 HydrophobicContact CD2-CD1 3.49Å; L120-F246 VanDerWaalsContact CD2-CD1 3.49Å; L120-F246 HydrophobicContact CD2-CE1 4.22Å; L120-F246 HydrophobicContact CD2-CG 4.01Å; V207-F246 HydrophobicContact CG1-CE1 4.32Å; F226-F246 HydrophobicContact CD1-CZ 4.15Å; F226-F246 HydrophobicContact CD2-CD1 4.06Å; F226-F246 AromaticContact CD2-CE1 3.58Å; F226-F246 HydrophobicContact CD2-CE1 3.58Å; F226-F246 HydrophobicContact CD2-CE2 4.4Å; F226-F246 AromaticContact CD2-CZ 3.78Å; F226-F246 HydrophobicContact CD2-CZ 3.78Å; F226-F246 HydrophobicContact CE1-CE2 4.05Å; F226-F246 AromaticContact CE1-CZ 3.98Å; F226-F246 HydrophobicContact CE1-CZ 3.98Å; F226-F246 AromaticContact CE2-CD1 3.82Å; F226-F246 HydrophobicContact CE2-CD1 3.82Å; F226-F246 AromaticContact CE2-CD2 3.95Å; F226-F246 HydrophobicContact CE2-CD2 3.95Å; F226-F246 AromaticContact CE2-CE1 3.65Å; F226-F246 HydrophobicContact CE2-CE1 3.65Å; F226-F246 AromaticContact CE2-CE2 3.79Å; F226-F246 HydrophobicContact CE2-CE2 3.79Å; F226-F246 AromaticContact CE2-CG 3.97Å; F226-F246 HydrophobicContact CE2-CG 3.97Å; F226-F246 AromaticContact CE2-CZ 3.63Å; F226-F246 HydrophobicContact CE2-CZ 3.63Å; F226-F246 HydrophobicContact CG-CE1 4.15Å; F226-F246 HydrophobicContact CG-CZ 4.05Å; F226-F246 AromaticContact CZ-CD2 3.96Å; F226-F246 HydrophobicContact CZ-CD2 3.96Å; F226-F246 HydrophobicContact CZ-CE1 4.25Å; F226-F246 AromaticContact CZ-CE2 3.58Å; F226-F246 HydrophobicContact CZ-CE2 3.58Å; F226-F246 HydrophobicContact CZ-CG 4.44Å; F226-F246 AromaticContact CZ-CZ 3.74Å; F226-F246 HydrophobicContact CZ-CZ 3.74Å; F246-V248 PolarHBondContact O-N 3.46Å; F246-L249 HydrophobicContact CD1-CD1 4.08Å; F246-L249 HydrophobicContact CE1-CD1 4.45Å; F246-L249 PolarHBondContact O-N 3.32Å; F246-L249 VanDerWaalsContact O-N 3.12Å; F246-R250 PolarHBondContact O-N 2.91Å
247	D	97.9	Very high	92.4	Very high	40 Å²	40	59.1 Å²	59.1	21%	0.214	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-26.7	176.8	-162.4	52.5	0	0	0	112.1	D245 R250 K251	D245-D247 PolarHBondContact O-N 3.03Å; D245-D247 WeakPolarHBondContact OD1-CB 3.37Å; D245-D247 PolarHBondContact OD1-N 3.44Å; D247-R250 PolarHBondContact O-N 2.93Å; D247-R250 IonicContact OD1-CZ 3.21Å; D247-R250 IonicContact OD1-NE 2.72Å; D247-R250 PolarHBondContact OD1-NE 3.25Å; D247-R250 IonicContact OD1-NH2 3.84Å; D247-R250 PolarHBondContact OD1-NH2 2.74Å; D247-R250 IonicContact OD2-NH2 2.9Å; D247-K251 WeakPolarHBondContact O-CB 3.23Å; D247-K251 VanDerWaalsContact O-CG 3.29Å; D247-K251 WeakPolarHBondContact O-CG 3.19Å; D247-K251 PolarHBondContact O-N 3.01Å; D247-K251 WeakPolarHBondContact OD2-CD 3.35Å; D247-K251 WeakPolarHBondContact OD2-CE 3.33Å; D247-K251 IonicContact OD2-NZ 2.64Å; D247-K251 PolarHBondContact OD2-NZ 3.01Å
248	V	98.1	Very high	90.3	Very high	66 Å²	66	59.1 Å²	59.1	40%	0.4	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-48.1	172.2	177.4	0	0	0	0	110.5	W241 V243 D245 F246 D252	W241-V248 HydrophobicContact CZ2-CG1 4.15Å; V243-V248 HydrophobicContact CG1-CB 4.21Å; V243-V248 HydrophobicContact CG1-CG1 3.82Å; D245-V248 HydrophobicContact CB-CG2 4.31Å; D245-V248 WeakPolarHBondContact O-CB 3.15Å; D245-V248 PolarHBondContact O-N 3.24Å; F246-V248 PolarHBondContact O-N 3.46Å; V248-D252 WeakPolarHBondContact O-CB 3.45Å; V248-D252 PolarHBondContact O-N 3.22Å
249	L	98.4	Very high	88	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-41.2	178.5	-57.5	-171.6	0	0	0	111.3	W37 L120 V207 I224 W241 V243 F246 D252 L253	W37-L249 HydrophobicContact CH2-CB 4.45Å; W37-L249 HydrophobicContact CH2-CD1 4.42Å; W37-L249 HydrophobicContact CZ2-CB 3.71Å; W37-L249 HydrophobicContact CZ2-CD1 4.43Å; W37-L249 PolarHBondContact NE1-O 2.88Å; L120-L249 HydrophobicContact CD1-CB 4.16Å; L120-L249 HydrophobicContact CD2-CB 4.06Å; L120-L249 HydrophobicContact CD2-CD1 4.08Å; V207-L249 HydrophobicContact CG1-CD1 4.24Å; I224-L249 HydrophobicContact CD1-CD2 4.22Å; I224-L249 HydrophobicContact CG2-CD1 4.3Å; I224-L249 HydrophobicContact CG2-CD2 3.94Å; W241-L249 HydrophobicContact CD2-CD2 4.37Å; W241-L249 HydrophobicContact CE3-CD2 4.12Å; W241-L249 HydrophobicContact CH2-CD2 3.37Å; W241-L249 HydrophobicContact CZ2-CD2 3.62Å; W241-L249 HydrophobicContact CZ3-CD2 3.64Å; V243-L249 HydrophobicContact CB-CD2 4.41Å; V243-L249 HydrophobicContact CG1-CD2 3.76Å; V243-L249 HydrophobicContact CG1-CG 4.5Å; V243-L249 HydrophobicContact CG2-CD1 4.09Å; V243-L249 HydrophobicContact CG2-CD2 3.88Å; V243-L249 HydrophobicContact CG2-CG 3.9Å; F246-L249 HydrophobicContact CD1-CD1 4.08Å; F246-L249 HydrophobicContact CE1-CD1 4.45Å; F246-L249 PolarHBondContact O-N 3.32Å; F246-L249 VanDerWaalsContact O-N 3.12Å; L249-D252 PolarHBondContact O-N 2.8Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 2.89Å
250	R	98.2	Very high	85.8	Confident	62 Å²	62	63.2 Å²	63.2	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-47.2	179.4	-171.6	-167.1	65	71.7	-1.2	111.4	L120 R123 F246 D247 D252 L253 D254	L120-R250 HydrophobicContact CB-CB 4.45Å; L120-R250 HydrophobicContact CD1-CB 4.18Å; R123-R250 HydrophobicContact CB-CG 4.17Å; R123-R250 HydrophobicContact CG-CG 4.4Å; F246-R250 PolarHBondContact O-N 2.91Å; D247-R250 PolarHBondContact O-N 2.93Å; D247-R250 IonicContact OD1-CZ 3.21Å; D247-R250 IonicContact OD1-NE 2.72Å; D247-R250 PolarHBondContact OD1-NE 3.25Å; D247-R250 IonicContact OD1-NH2 3.84Å; D247-R250 PolarHBondContact OD1-NH2 2.74Å; D247-R250 IonicContact OD2-NH2 2.9Å; R250-D252 VanDerWaalsContact C-N 3.34Å; R250-L253 WeakPolarHBondContact O-CB 3.24Å; R250-L253 PolarHBondContact O-N 2.63Å; R250-D254 IonicContact NH1-OD2 2.82Å
251	K	97.4	Very high	83.2	Confident	114 Å²	114	65.9 Å²	65.9	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-37.8	177.5	-76.7	168.1	168.3	156.2	0	112.1	D247 L253 D254	D247-K251 WeakPolarHBondContact O-CB 3.23Å; D247-K251 VanDerWaalsContact O-CG 3.29Å; D247-K251 WeakPolarHBondContact O-CG 3.19Å; D247-K251 PolarHBondContact O-N 3.01Å; D247-K251 WeakPolarHBondContact OD2-CD 3.35Å; D247-K251 WeakPolarHBondContact OD2-CE 3.33Å; D247-K251 IonicContact OD2-NZ 2.64Å; D247-K251 PolarHBondContact OD2-NZ 3.01Å; K251-L253 PolarHBondContact O-N 2.79Å; K251-D254 WeakPolarHBondContact O-CB 3.49Å; K251-D254 PolarHBondContact O-N 2.81Å
252	D	97.4	Very high	80.4	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-64.8	-28.8	178.7	-166	80.2	0	0	0	112.8	K34 R38 W241 V248 L249 R250 D254 H255	K34-D252 WeakPolarHBondContact CD-OD1 3.33Å; R38-D252 WeakPolarHBondContact CG-O 3.44Å; R38-D252 IonicContact CZ-OD1 3.84Å; R38-D252 IonicContact CZ-OD2 2.71Å; R38-D252 PolarHBondContact NE-O 3.33Å; R38-D252 IonicContact NE-OD1 3.62Å; R38-D252 IonicContact NE-OD2 3.83Å; R38-D252 PolarHBondContact NE-OD2 3.12Å; R38-D252 IonicContact NH2-OD1 3.66Å; R38-D252 PolarHBondContact NH2-OD1 3.31Å; R38-D252 IonicContact NH2-OD2 2.77Å; W241-D252 HydrophobicContact CH2-CB 3.84Å; W241-D252 HydrophobicContact CZ2-CB 4.28Å; V248-D252 WeakPolarHBondContact O-CB 3.45Å; V248-D252 PolarHBondContact O-N 3.22Å; L249-D252 PolarHBondContact O-N 2.8Å; R250-D252 VanDerWaalsContact C-N 3.34Å; D252-D254 PolarHBondContact O-N 3.38Å; D252-H255 PolarHBondContact O-N 2.9Å
253	L	96.1	Very high	77.4	Confident	4 Å²	4	84 Å²	84	2%	0.021	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.4	172.7	-66.9	172.7	0	0	0	113.7	W37 L120 R123 L124 R127 L249 R250 K251	W37-L253 HydrophobicContact CD2-CD2 4.24Å; W37-L253 HydrophobicContact CG-CD2 4.41Å; W37-L253 HydrophobicContact CZ2-CD1 3.87Å; W37-L253 HydrophobicContact CZ2-CD2 3.94Å; W37-L253 HydrophobicContact CZ2-CG 3.91Å; L120-L253 HydrophobicContact CD1-CD1 3.94Å; R123-L253 HydrophobicContact CB-CD1 4.48Å; R123-L253 HydrophobicContact CG-CB 4.41Å; R123-L253 HydrophobicContact CG-CD1 3.97Å; L124-L253 HydrophobicContact CD2-CD1 3.65Å; L124-L253 HydrophobicContact CD2-CD2 4.29Å; L124-L253 HydrophobicContact CG-CD1 4.04Å; R127-L253 PolarHBondContact NH1-O 2.63Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 2.89Å; R250-L253 WeakPolarHBondContact O-CB 3.24Å; R250-L253 PolarHBondContact O-N 2.63Å; K251-L253 PolarHBondContact O-N 2.79Å
254	D	88.6	Confident	76.3	Confident	70 Å²	70	87.9 Å²	87.9	37%	0.374	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.4	-179.2	-61.2	-31.6	0	0	0	112.6	R123 R250 K251 D252 D256	R123-D254 IonicContact CZ-OD1 2.86Å; R123-D254 IonicContact NE-OD1 2.8Å; R123-D254 PolarHBondContact NE-OD1 2.91Å; R123-D254 IonicContact NH2-OD1 3.6Å; R123-D254 PolarHBondContact NH2-OD1 3.46Å; R250-D254 IonicContact NH1-OD2 2.82Å; K251-D254 WeakPolarHBondContact O-CB 3.49Å; K251-D254 PolarHBondContact O-N 2.81Å; D252-D254 PolarHBondContact O-N 3.38Å; D254-D256 PolarHBondContact O-N 3.24Å
255	H	80.9	Confident	75.2	Confident	115 Å²	115	88.2 Å²	88.2	53%	0.532	45%	0.452	S	S	.	.			trans	-75.5	111.7	171.8	-90	-96.3	0	0	0	110.1	D252	D252-H255 PolarHBondContact O-N 2.9Å
256	D	59.2	Low	73.9	Confident	123 Å²	123	88.9 Å²	88.9	66%	0.658	46%	0.455	S	S	*	.			trans	-68.9	141.9	171.8	-88.6	-31.1	0	0	0	110.8	D254 S258	D254-D256 PolarHBondContact O-N 3.24Å; D256-S258 PolarHBondContact O-N 2.84Å
257	E	55.4	Low	72.4	Confident	81 Å²	81	94.1 Å²	94.1	38%	0.379	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-71.6	0	174.3	-69.8	-167.8	151.6	0	0	112.8	K39 D259	K39-E257 VanDerWaalsContact CE-OE1 3.29Å; K39-E257 WeakPolarHBondContact CE-OE1 3.4Å; K39-E257 VanDerWaalsContact CE-OE2 3.27Å; K39-E257 WeakPolarHBondContact CE-OE2 3.3Å; K39-E257 IonicContact NZ-OE1 2.93Å; K39-E257 PolarHBondContact NZ-OE1 3.09Å; K39-E257 IonicContact NZ-OE2 3.64Å; K39-E257 PolarHBondContact NZ-OE2 2.93Å; E257-D259 PolarHBondContact O-N 2.99Å
258	S	49.8	Very low	70.8	Confident	89 Å²	89	97.5 Å²	97.5	62%	0.622	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-69.3	-12.7	-178.1	57.5	0	0	0	0	114.9	D256	D256-S258 PolarHBondContact O-N 2.84Å
259	D	47.8	Very low	69	Low	132 Å²	132	99.6 Å²	99.6	71%	0.706	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-102	10	-170.4	-63.9	-8.8	0	0	0	113.5	E257	E257-D259 PolarHBondContact O-N 2.99Å
260	I	50.5	Low	66.9	Low	109 Å²	109	106.7 Å²	106.7	56%	0.559	54%	0.541	S	S	*	.	S	Bend	trans	-115.8	-7.7	-171.7	-56.2	177.6	0	0	0	113.5
261	D	41.1	Very low	64.5	Low	153 Å²	153	110.2 Å²	110.2	82%	0.818	57%	0.565	S	S	*	*	S	Bend	trans	-92.2	5.5	179.6	-79.7	-17.7	0	0	0	114.6
262	D	39.4	Very low	61.8	Low	159 Å²	159	109.8 Å²	109.8	85%	0.85	57%	0.571	S	S	*	*			trans	-117.4	70.5	176.3	-78.1	-29.3	0	0	0	111.6
263	E	35.3	Very low	58.5	Low	271 Å²	271	118.7 Å²	118.7	100%	1.266	62%	0.617	S	S	*	*			trans	-157.1	0	153.9	-112.9	178.4	-158.8	0	0	113.3

Retrieved 263 of 263 residues in 465.7 ms (Link to these results)

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