A0A096MQF5_PAPAN Loading...

5'-AMP-activated protein kinase subunit gamma-1

AlphaFold DB (A0A2K5WZ55), UniProt , Accession A0A096MQF5, Species PAPAN (Papio anubis, Olive baboon), Gene PRKAG1, Length 340 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	41.6	Very low	31	Very low	253 Å²	253	142.1 Å²	142.1	100%	1.246	83%	0.832	S	S	*	*				0	92.2	0	-135.3	165.6	177.5	0	0	105.3
2	E	30.4	Very low	30.9	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	83%	0.826	S	S	*	*			trans	-95.1	129.6	-164.8	-76.1	173.4	145.2	0	0	111.7
3	T	26.5	Very low	30.8	Very low	126 Å²	126	140.2 Å²	140.2	77%	0.773	83%	0.83	S	S	*	*			trans	36.1	126.1	132.4	5.8	0	0	0	0	124.1
4	V	29.6	Very low	30.7	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	83%	0.833	S	S	*	*			trans	71.6	121.8	142.7	-144.4	0	0	0	0	120.7
5	I	33.3	Very low	30.7	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	83%	0.83	S	S	*	*				173.3	140.6	104.3	-76.7	167.2	0	0	0	110.6
6	S	28.4	Very low	30.5	Very low	102 Å²	102	146.4 Å²	146.4	71%	0.713	83%	0.833	S	S	*	*			trans	-69.6	159.4	-171.5	50	0	0	0	0	118.6
7	S	29	Very low	30.4	Very low	118 Å²	118	148 Å²	148	83%	0.825	83%	0.831	S	S	*	*			trans	146.2	136.6	141.7	56.2	0	0	0	0	107.8
8	D	28.3	Very low	30.4	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	83%	0.828	S	S	*	*			cis	-166	139.6	9.3	-154.1	-3.9	0	0	0	105.4
9	S	29.7	Very low	30.3	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	83%	0.83	S	S	*	*			trans	168.6	108.7	151.9	33.5	0	0	0	0	111.2
10	S	32.4	Very low	30.3	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	83%	0.831	S	S	*	*			trans	-57.8	152.4	168.9	-44.1	0	0	0	0	112.1
11	P	32	Very low	30.4	Very low	126 Å²	126	147.3 Å²	147.3	82%	0.818	82%	0.818	S	S	*	*			trans	-121.2	154.7	136	26.4	-10.9	0	0	0	111.8
12	A	30.3	Very low	30.1	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	80%	0.8	S	S	*	*			trans	-62.1	151.3	-166.2	0	0	0	0	0	114.2	E14	A12-E14 PolarHBondContact O-N 3.01Å
13	L	28.8	Very low	30.4	Very low	169 Å²	169	140.1 Å²	140.1	89%	0.885	79%	0.793	S	S	*	*			trans	-57.1	101	161.7	-73.1	145.2	0	0	0	109.1	N15	L13-N15 PolarHBondContact O-N 3.47Å
14	E	29.4	Very low	31.2	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	78%	0.781	S	S	*	*			trans	-71.9	110.4	160.7	-80.6	-177.5	160.6	0	0	107.8	A12 E16	A12-E14 PolarHBondContact O-N 3.01Å; E14-E16 PolarHBondContact O-N 2.69Å; E14-E16 VanDerWaalsContact O-N 3.14Å
15	N	30.6	Very low	32	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	77%	0.77	S	S	*	*			trans	-57.8	112.5	171.2	-80.9	-34.7	0	0	0	109.4	L13 H17	L13-N15 PolarHBondContact O-N 3.47Å; N15-H17 PolarHBondContact O-N 3.13Å; N15-H17 VanDerWaalsContact O-N 3.09Å
16	E	27.6	Very low	32.9	Very low	187 Å²	187	133 Å²	133	87%	0.874	75%	0.753	S	S	*	*			trans	-49.7	113.9	162.2	-68	-177.4	144.3	0	0	108.9	E14 P18	E14-E16 PolarHBondContact O-N 2.69Å; E14-E16 VanDerWaalsContact O-N 3.14Å; E16-P18 WeakPolarHBondContact O-CD 3.47Å
17	H	28.9	Very low	34.8	Very low	173 Å²	173	130.5 Å²	130.5	80%	0.801	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60.2	123.8	160.6	-92.2	41.5	0	0	0	107.4	N15 Q19	N15-H17 PolarHBondContact O-N 3.13Å; N15-H17 VanDerWaalsContact O-N 3.09Å; H17-Q19 PolarHBondContact O-N 2.89Å; H17-Q19 VanDerWaalsContact O-N 3.09Å
18	P	31	Very low	37.5	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.3	120.1	170.4	-17.1	29.6	0	0	0	108	E16 E20	E16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-E20 PolarHBondContact O-N 3.3Å; P18-E20 VanDerWaalsContact O-N 3.14Å
19	Q	28.7	Very low	40.2	Very low	184 Å²	184	120.1 Å²	120.1	86%	0.86	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-50.4	118.3	169.4	-72.4	177.8	-30.8	0	0	108.8	H17 T21	H17-Q19 PolarHBondContact O-N 2.89Å; H17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-T21 PolarHBondContact O-N 2.75Å
20	E	30.2	Very low	42.9	Very low	180 Å²	180	115.5 Å²	115.5	84%	0.841	64%	0.638	S	S	*	*			trans	-59.1	109.6	168.8	-71.4	-175.9	159.3	0	0	108.3	P18	P18-E20 PolarHBondContact O-N 3.3Å; P18-E20 VanDerWaalsContact O-N 3.14Å
21	T	31.6	Very low	45.6	Very low	92 Å²	92	112.9 Å²	112.9	56%	0.564	62%	0.62	S	S	*	*			trans	-63.5	146.7	167.6	44.1	0	0	0	0	109.4	Q19 E23	Q19-T21 PolarHBondContact O-N 2.75Å; T21-E23 PolarHBondContact O-N 3.19Å
22	P	35.3	Very low	48.4	Very low	134 Å²	134	107.9 Å²	107.9	87%	0.87	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	42.7	-176.5	33.3	-35.1	0	0	0	112.9
23	E	37.1	Very low	51.3	Low	153 Å²	153	103.5 Å²	103.5	72%	0.715	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.4	169.8	-68.6	-172.9	158.7	0	0	112.2	T21 N25	T21-E23 PolarHBondContact O-N 3.19Å; E23-N25 PolarHBondContact O-N 2.77Å
24	S	42.8	Very low	54.4	Low	73 Å²	73	101.3 Å²	101.3	51%	0.51	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-78.7	-19.1	-163.9	80	0	0	0	0	116.1	N26 S27	S24-N26 VanDerWaalsContact C-N 3.33Å; S24-N26 PolarHBondContact O-N 3.27Å; S24-S27 PolarHBondContact O-OG 3.05Å; S24-S27 VanDerWaalsContact O-OG 3.07Å
25	N	47.3	Very low	57.4	Low	95 Å²	95	96.5 Å²	96.5	51%	0.508	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-76.9	-17	178.7	-95.3	-17.1	0	0	0	113.8	E23 S27 P195	E23-N25 PolarHBondContact O-N 2.77Å; N25-S27 PolarHBondContact O-N 2.92Å; N25-S27 VanDerWaalsContact O-N 3.12Å; N25-P195 WeakPolarHBondContact O-CB 3.47Å
26	N	51.5	Low	60.4	Low	87 Å²	87	91.5 Å²	91.5	47%	0.465	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-70.5	-5.7	177.8	-76.8	-26.4	0	0	0	113.3	S24 T334	S24-N26 VanDerWaalsContact C-N 3.33Å; S24-N26 PolarHBondContact O-N 3.27Å; N26-T334 WeakPolarHBondContact O-CG2 3.09Å
27	S	68.9	Low	63.7	Low	50 Å²	50	89 Å²	89	35%	0.35	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-101.4	-6.6	-171.8	78.8	0	0	0	0	115.4	S24 N25 Y29 T30 S31	S24-S27 PolarHBondContact O-OG 3.05Å; S24-S27 VanDerWaalsContact O-OG 3.07Å; N25-S27 PolarHBondContact O-N 2.92Å; N25-S27 VanDerWaalsContact O-N 3.12Å; S27-Y29 PolarHBondContact O-N 2.88Å; S27-T30 PolarHBondContact O-N 2.86Å; S27-T30 VanDerWaalsContact O-N 3.17Å; S27-S31 WeakPolarHBondContact CB-OG 3.44Å; S27-S31 WeakPolarHBondContact O-CB 3.36Å; S27-S31 PolarHBondContact O-N 2.91Å; S27-S31 PolarHBondContact O-OG 3.28Å; S27-S31 PolarHBondContact OG-OG 2.91Å
28	V	84.6	Confident	66.9	Low	32 Å²	32	80.8 Å²	80.8	19%	0.194	44%	0.436	C	S	.	.	H	α-helix	trans	-57.3	-50.8	-168	-178.2	0	0	0	0	112.4	F32 I189 F192	V28-F32 WeakPolarHBondContact O-CB 3.35Å; V28-F32 PolarHBondContact O-N 2.92Å; V28-I189 HydrophobicContact CG1-CG2 4.42Å; V28-F192 HydrophobicContact CG1-CB 4.48Å
29	Y	85.3	Confident	69.9	Low	17 Å²	17	82 Å²	82	7%	0.067	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-43.5	178.3	-72.3	-90.5	0	0	0	112.3	S27 F32 M33 I189 P195 F197 M198 L331	S27-Y29 PolarHBondContact O-N 2.88Å; Y29-F32 PolarHBondContact O-N 3.44Å; Y29-M33 WeakPolarHBondContact O-CB 3.17Å; Y29-M33 WeakPolarHBondContact O-CE 3.48Å; Y29-M33 VanDerWaalsContact O-CG 3.29Å; Y29-M33 WeakPolarHBondContact O-CG 3.06Å; Y29-M33 PolarHBondContact O-N 2.78Å; Y29-I189 HydrophobicContact CD1-CD1 3.22Å; Y29-I189 HydrophobicContact CD1-CG2 4.48Å; Y29-I189 HydrophobicContact CE1-CB 4.23Å; Y29-I189 HydrophobicContact CE1-CD1 3.42Å; Y29-I189 VanDerWaalsContact CE1-CD1 3.42Å; Y29-I189 HydrophobicContact CE1-CG1 4.4Å; Y29-I189 HydrophobicContact CE1-CG2 3.85Å; Y29-I189 HydrophobicContact CE2-CG2 4.27Å; Y29-I189 HydrophobicContact CG-CD1 3.98Å; Y29-P195 HydrophobicContact CD2-CG 3.96Å; Y29-P195 HydrophobicContact CE2-CG 3.64Å; Y29-F197 HydrophobicContact CD2-CE2 4.41Å; Y29-F197 AromaticContact CD2-CZ 3.65Å; Y29-F197 HydrophobicContact CD2-CZ 3.65Å; Y29-F197 HydrophobicContact CE2-CE2 4.29Å; Y29-F197 AromaticContact CE2-CZ 3.87Å; Y29-F197 HydrophobicContact CE2-CZ 3.87Å; Y29-M198 HydrophobicContact CE2-CG 4.15Å; Y29-M198 HydrophobicContact CE2-SD 3.86Å; Y29-M198 WeakPolarHBondContact OH-CE 3.37Å; Y29-M198 PolarHBondContact OH-SD 3.29Å; Y29-L331 HydrophobicContact CD1-CD1 4.2Å; Y29-L331 HydrophobicContact CD1-CD2 4.01Å; Y29-L331 HydrophobicContact CD2-CD2 4.12Å; Y29-L331 HydrophobicContact CE1-CD1 4.4Å; Y29-L331 HydrophobicContact CE1-CD2 4.18Å; Y29-L331 HydrophobicContact CE2-CD2 4.25Å; Y29-L331 HydrophobicContact CG-CD2 4Å
30	T	87.3	Confident	73.1	Confident	15 Å²	15	76.6 Å²	76.6	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-65.9	-47.3	-179	-63.2	0	0	0	0	111.8	S27 M33 K34 F148	S27-T30 PolarHBondContact O-N 2.86Å; S27-T30 VanDerWaalsContact O-N 3.17Å; T30-M33 PolarHBondContact O-N 2.8Å; T30-K34 HydrophobicContact CG2-CD 4.15Å; T30-K34 WeakPolarHBondContact O-CB 3.48Å; T30-K34 VanDerWaalsContact O-CG 3.29Å; T30-K34 WeakPolarHBondContact O-CG 2.92Å; T30-K34 PolarHBondContact O-N 3.02Å; T30-F148 HydrophobicContact CG2-CD2 3.94Å; T30-F148 HydrophobicContact CG2-CE2 3.66Å
31	S	88.9	Confident	76.2	Confident	59 Å²	59	68 Å²	68	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-43.3	176.3	-63	0	0	0	0	110.9	S27 K34 S35	S27-S31 WeakPolarHBondContact CB-OG 3.44Å; S27-S31 WeakPolarHBondContact O-CB 3.36Å; S27-S31 PolarHBondContact O-N 2.91Å; S27-S31 PolarHBondContact O-OG 3.28Å; S27-S31 PolarHBondContact OG-OG 2.91Å; S31-K34 PolarHBondContact O-N 3.22Å; S31-S35 PolarHBondContact O-N 3.14Å; S31-S35 PolarHBondContact O-OG 3.33Å
32	F	90.5	Very high	79.2	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.088	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-45.6	174	-177.6	-86.3	0	0	0	112.1	V28 Y29 K34 S35 H36 F184 L185 F188 I189	V28-F32 WeakPolarHBondContact O-CB 3.35Å; V28-F32 PolarHBondContact O-N 2.92Å; Y29-F32 PolarHBondContact O-N 3.44Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.3Å; F32-S35 PolarHBondContact O-N 3.02Å; F32-S35 PolarHBondContact O-OG 2.93Å; F32-H36 AromaticContact CD1-ND1 3.91Å; F32-H36 AromaticContact CD2-CE1 3.5Å; F32-H36 VanDerWaalsContact CD2-CE1 3.5Å; F32-H36 WeakPolarHBondContact CD2-CE1 3.31Å; F32-H36 AromaticContact CD2-ND1 3.83Å; F32-H36 AromaticContact CE1-CE1 3.95Å; F32-H36 AromaticContact CE1-ND1 3.78Å; F32-H36 AromaticContact CE2-CE1 3.1Å; F32-H36 WeakPolarHBondContact CE2-CE1 3.25Å; F32-H36 AromaticContact CE2-ND1 3.71Å; F32-H36 AromaticContact CE2-NE2 3.66Å; F32-H36 AromaticContact CG-ND1 3.92Å; F32-H36 AromaticContact CZ-CE1 3.33Å; F32-H36 WeakPolarHBondContact CZ-CE1 3.2Å; F32-H36 AromaticContact CZ-ND1 3.65Å; F32-H36 AromaticContact CZ-NE2 3.59Å; F32-H36 PolarHBondContact O-N 3.11Å; F32-H36 PolarHBondContact O-ND1 3.27Å; F32-F184 AromaticContact CE1-CD1 3.94Å; F32-F184 HydrophobicContact CE1-CD1 3.94Å; F32-F184 AromaticContact CE1-CE1 3.55Å; F32-F184 HydrophobicContact CE1-CE1 3.55Å; F32-F184 HydrophobicContact CZ-CD1 4.34Å; F32-F184 AromaticContact CZ-CE1 3.69Å; F32-F184 HydrophobicContact CZ-CE1 3.69Å; F32-F184 HydrophobicContact CZ-CZ 4.41Å; F32-L185 HydrophobicContact CD1-CD2 3.64Å; F32-L185 HydrophobicContact CE1-CD2 3.83Å; F32-F188 HydrophobicContact CE1-CB 4.37Å; F32-F188 HydrophobicContact CE2-CB 3.71Å; F32-F188 HydrophobicContact CZ-CB 3.38Å; F32-F188 AromaticContact CZ-CG 3.98Å; F32-F188 HydrophobicContact CZ-CG 3.98Å; F32-I189 HydrophobicContact CB-CD1 4.23Å; F32-I189 HydrophobicContact CD1-CD1 3.9Å; F32-I189 HydrophobicContact CD1-CG1 4.21Å; F32-I189 HydrophobicContact CD2-CG1 4.17Å; F32-I189 HydrophobicContact CE1-CD1 4.45Å; F32-I189 HydrophobicContact CE1-CG1 4.45Å; F32-I189 HydrophobicContact CE2-CG1 4.41Å; F32-I189 HydrophobicContact CG-CD1 3.98Å; F32-I189 HydrophobicContact CG-CG1 4.08Å
33	M	91.8	Very high	82	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-29.1	177.5	-75.3	-174.2	-70.3	0	0	113	Y29 T30 L147 F148 V151 L185 V332	Y29-M33 WeakPolarHBondContact O-CB 3.17Å; Y29-M33 WeakPolarHBondContact O-CE 3.48Å; Y29-M33 VanDerWaalsContact O-CG 3.29Å; Y29-M33 WeakPolarHBondContact O-CG 3.06Å; Y29-M33 PolarHBondContact O-N 2.78Å; T30-M33 PolarHBondContact O-N 2.8Å; M33-L147 HydrophobicContact CB-CB 4.2Å; M33-L147 HydrophobicContact CG-CB 4.37Å; M33-L147 WeakPolarHBondContact O-CB 3.37Å; M33-L147 PolarHBondContact O-N 2.97Å; M33-L147 VanDerWaalsContact O-N 3.1Å; M33-F148 HydrophobicContact CB-CB 3.98Å; M33-F148 PolarHBondContact O-N 3.44Å; M33-V151 HydrophobicContact SD-CG2 3.96Å; M33-L185 HydrophobicContact CG-CD2 3.77Å; M33-L185 HydrophobicContact SD-CD1 4.18Å; M33-L185 HydrophobicContact SD-CD2 4.4Å; M33-V332 HydrophobicContact CE-CG2 3.6Å; M33-V332 HydrophobicContact SD-CG2 4.14Å
34	K	92.6	Very high	84.7	Confident	122 Å²	122	61 Å²	61	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-76.3	-32.1	175.1	-75.7	175.5	179.3	179.1	0	112.4	T30 S31 F32 F148	T30-K34 HydrophobicContact CG2-CD 4.15Å; T30-K34 WeakPolarHBondContact O-CB 3.48Å; T30-K34 VanDerWaalsContact O-CG 3.29Å; T30-K34 WeakPolarHBondContact O-CG 2.92Å; T30-K34 PolarHBondContact O-N 3.02Å; S31-K34 PolarHBondContact O-N 3.22Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.3Å; K34-F148 HydrophobicContact CG-CB 3.79Å; K34-F148 HydrophobicContact CG-CD1 4.46Å; K34-F148 HydrophobicContact CG-CD2 4.26Å; K34-F148 HydrophobicContact CG-CG 3.92Å
35	S	92.4	Very high	87.1	Confident	86 Å²	86	62.7 Å²	62.7	60%	0.601	34%	0.339	S	S	*	.	H	α-helix	trans	-79.7	-23.7	-180	63.4	0	0	0	0	113.8	S31 F32	S31-S35 PolarHBondContact O-N 3.14Å; S31-S35 PolarHBondContact O-OG 3.33Å; F32-S35 PolarHBondContact O-N 3.02Å; F32-S35 PolarHBondContact O-OG 2.93Å
36	H	94.4	Very high	89.3	Confident	41 Å²	41	60.8 Å²	60.8	19%	0.19	33%	0.333	C	S	.	.	S	Bend	trans	-97.8	147.2	179.6	-68.8	75	0	0	0	112.5	F32 D40 S146 L147 F184	F32-H36 AromaticContact CD1-ND1 3.91Å; F32-H36 AromaticContact CD2-CE1 3.5Å; F32-H36 VanDerWaalsContact CD2-CE1 3.5Å; F32-H36 WeakPolarHBondContact CD2-CE1 3.31Å; F32-H36 AromaticContact CD2-ND1 3.83Å; F32-H36 AromaticContact CE1-CE1 3.95Å; F32-H36 AromaticContact CE1-ND1 3.78Å; F32-H36 AromaticContact CE2-CE1 3.1Å; F32-H36 WeakPolarHBondContact CE2-CE1 3.25Å; F32-H36 AromaticContact CE2-ND1 3.71Å; F32-H36 AromaticContact CE2-NE2 3.66Å; F32-H36 AromaticContact CG-ND1 3.92Å; F32-H36 AromaticContact CZ-CE1 3.33Å; F32-H36 WeakPolarHBondContact CZ-CE1 3.2Å; F32-H36 AromaticContact CZ-ND1 3.65Å; F32-H36 AromaticContact CZ-NE2 3.59Å; F32-H36 PolarHBondContact O-N 3.11Å; F32-H36 PolarHBondContact O-ND1 3.27Å; H36-D40 IonicContact CD2-OD2 3.75Å; H36-S146 CarbonylContact O-C 3.56Å; H36-S146 WeakPolarHBondContact O-CA 3.24Å; H36-L147 HydrophobicContact CB-CD1 3.57Å; H36-L147 HydrophobicContact CB-CG 4.05Å; H36-L147 PolarHBondContact O-N 3.25Å; H36-F184 AromaticContact CD2-CZ 3.91Å
37	R	96.4	Very high	91.3	Very high	135 Å²	135	62.7 Å²	62.7	51%	0.509	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-96.2	159	179.8	-61.9	-179.4	-176.5	-173.1	4.3	111.1	Y39 D40 N144 A145	R37-Y39 PolarHBondContact O-N 3.41Å; R37-D40 PolarHBondContact N-OD2 3.27Å; R37-D40 WeakPolarHBondContact O-CB 3.49Å; R37-D40 PolarHBondContact O-N 3.25Å; R37-D40 VanDerWaalsContact O-N 3.12Å; R37-N144 PolarHBondContact NH1-OD1 3.47Å; R37-A145 CarbonylContact C-O 3.54Å; R37-A145 WeakPolarHBondContact CA-O 3.34Å
38	C	95.6	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-57.8	-33	172.6	-70.8	0	0	0	0	112.6	D40 L41 P143 A145 V164	C38-D40 VanDerWaalsContact C-N 3.26Å; C38-D40 PolarHBondContact O-N 3.32Å; C38-L41 PolarHBondContact O-N 3.28Å; C38-P143 PolarHBondContact N-O 3.23Å; C38-A145 PolarHBondContact N-O 2.97Å; C38-A145 PolarHBondContact SG-O 3.36Å; C38-A145 VanDerWaalsContact SG-O 3.4Å; C38-V164 HydrophobicContact CB-CG1 4.39Å; C38-V164 HydrophobicContact CB-CG2 4.46Å
39	Y	95.8	Very high	92.9	Very high	146 Å²	146	62.4 Å²	62.4	57%	0.573	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-57	-36.9	175.9	-174.2	-98.3	0	0	0	113.1	R37 L41 I42 P143	R37-Y39 PolarHBondContact O-N 3.41Å; Y39-L41 PolarHBondContact O-N 2.64Å; Y39-L41 VanDerWaalsContact O-N 3.09Å; Y39-I42 HydrophobicContact CD2-CD1 4.11Å; Y39-I42 WeakPolarHBondContact O-CB 3.38Å; Y39-I42 WeakPolarHBondContact O-CG1 3.27Å; Y39-I42 PolarHBondContact O-N 3.37Å; Y39-P143 WeakPolarHBondContact CB-O 3.4Å; Y39-P143 HydrophobicContact CD2-CB 4.32Å; Y39-P143 PolarHBondContact N-O 3.04Å
40	D	94.9	Very high	93.3	Very high	71 Å²	71	64.3 Å²	64.3	38%	0.38	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.6	-19.8	-174.6	-53.3	-24.3	0	0	0	112.7	H36 R37 C38 F184	H36-D40 IonicContact CD2-OD2 3.75Å; R37-D40 PolarHBondContact N-OD2 3.27Å; R37-D40 WeakPolarHBondContact O-CB 3.49Å; R37-D40 PolarHBondContact O-N 3.25Å; R37-D40 VanDerWaalsContact O-N 3.12Å; C38-D40 VanDerWaalsContact C-N 3.26Å; C38-D40 PolarHBondContact O-N 3.32Å; D40-F184 HydrophobicContact CB-CZ 4.33Å
41	L	94.8	Very high	93.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-90.1	-15.1	178.4	-87.8	60.2	0	0	0	113.2	C38 Y39 P43 L147 L176 R180 I181 F184	C38-L41 PolarHBondContact O-N 3.28Å; Y39-L41 PolarHBondContact O-N 2.64Å; Y39-L41 VanDerWaalsContact O-N 3.09Å; L41-P43 WeakPolarHBondContact O-CD 3.48Å; L41-L147 HydrophobicContact CD1-CD1 3.4Å; L41-L147 HydrophobicContact CD1-CD2 3.66Å; L41-L147 HydrophobicContact CD1-CG 4.09Å; L41-L147 HydrophobicContact CD2-CD1 4.24Å; L41-L147 HydrophobicContact CD2-CD2 3.67Å; L41-L147 HydrophobicContact CG-CD1 4.46Å; L41-L147 HydrophobicContact CG-CD2 4.17Å; L41-L176 HydrophobicContact CB-CD1 3.9Å; L41-L176 HydrophobicContact CD2-CD1 3.76Å; L41-L176 HydrophobicContact CG-CD1 4.48Å; L41-R180 PolarHBondContact O-NE 3.13Å; L41-R180 PolarHBondContact O-NH2 2.89Å; L41-R180 VanDerWaalsContact O-NH2 3.08Å; L41-I181 HydrophobicContact CD2-CB 4.29Å; L41-I181 HydrophobicContact CD2-CG1 3.75Å; L41-F184 HydrophobicContact CD1-CB 4.21Å; L41-F184 HydrophobicContact CD1-CD1 3.42Å; L41-F184 VanDerWaalsContact CD1-CD1 3.42Å; L41-F184 HydrophobicContact CD1-CD2 3.58Å; L41-F184 HydrophobicContact CD1-CE1 3.49Å; L41-F184 VanDerWaalsContact CD1-CE1 3.49Å; L41-F184 HydrophobicContact CD1-CE2 3.65Å; L41-F184 HydrophobicContact CD1-CG 3.46Å; L41-F184 VanDerWaalsContact CD1-CG 3.46Å; L41-F184 HydrophobicContact CD1-CZ 3.62Å; L41-F184 HydrophobicContact CD2-CB 4.16Å; L41-F184 HydrophobicContact CD2-CG 4.31Å; L41-F184 HydrophobicContact CG-CB 3.94Å; L41-F184 HydrophobicContact CG-CD1 4.11Å; L41-F184 HydrophobicContact CG-CD2 3.88Å; L41-F184 HydrophobicContact CG-CE2 4.39Å; L41-F184 HydrophobicContact CG-CG 3.72Å
42	I	94.6	Very high	93.7	Very high	33 Å²	33	63.4 Å²	63.4	17%	0.169	33%	0.334	C	S	.	.	S	Bend	trans	-69.4	122	-179.4	-56.5	-178.2	0	0	0	107.8	Y39 V164 L173 Y174	Y39-I42 HydrophobicContact CD2-CD1 4.11Å; Y39-I42 WeakPolarHBondContact O-CB 3.38Å; Y39-I42 WeakPolarHBondContact O-CG1 3.27Å; Y39-I42 PolarHBondContact O-N 3.37Å; I42-V164 HydrophobicContact CD1-CG1 4.23Å; I42-L173 HydrophobicContact CD1-CB 4.15Å; I42-L173 HydrophobicContact CD1-CD1 4.37Å; I42-Y174 HydrophobicContact CG1-CD1 4.26Å; I42-Y174 HydrophobicContact CG1-CG 4.22Å; I42-Y174 HydrophobicContact CG2-CG 4.3Å
43	P	94	Very high	93.7	Very high	39 Å²	39	62.6 Å²	62.6	25%	0.253	33%	0.331	S	S	.	.			trans	-60.5	149.8	175.1	-19.3	30.9	0	0	0	111.4	L41 S45 Y174	L41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-S45 PolarHBondContact O-N 3.01Å; P43-S45 VanDerWaalsContact O-N 3.09Å; P43-Y174 HydrophobicContact CG-CE2 4.09Å
44	T	93.7	Very high	93.6	Very high	160 Å²	160	65.4 Å²	65.4	98%	0.982	35%	0.35	S	S	*	.	S	Bend	trans	-52.6	-34.5	175.8	-47.1	0	0	0	0	112.9
45	S	94.8	Very high	93.6	Very high	108 Å²	108	62 Å²	62	76%	0.755	34%	0.338	S	S	*	.	S	Bend	trans	-136.3	131	171.4	-174.4	0	0	0	0	109.6	P43	P43-S45 PolarHBondContact O-N 3.01Å; P43-S45 VanDerWaalsContact O-N 3.09Å
46	S	93.1	Very high	93.7	Very high	56 Å²	56	61 Å²	61	39%	0.392	32%	0.324	S	S	.	.			trans	-144.7	154.6	176.7	75.5	0	0	0	0	111
47	K	93.6	Very high	93.5	Very high	127 Å²	127	59.1 Å²	59.1	55%	0.552	32%	0.315	S	S	*	.			trans	-100.9	128.1	174.8	-178.5	177.8	66.7	170	0	109.1	N67	K47-N67 PolarHBondContact NZ-O 3.4Å; K47-N67 PolarHBondContact NZ-OD1 2.82Å; K47-N67 VanDerWaalsContact NZ-OD1 3.11Å
48	L	93.1	Very high	93.2	Very high	56 Å²	56	55.1 Å²	55.1	29%	0.293	30%	0.301	S	S	.	.			trans	-114.7	127.9	171.7	-172	70.2	0	0	0	109.8	V50 P73 T172 I175	L48-V50 HydrophobicContact CD2-CG2 4.05Å; L48-V50 HydrophobicContact CG-CG2 4.16Å; L48-P73 HydrophobicContact CD1-CG 4.16Å; L48-T172 HydrophobicContact CD1-CG2 4.45Å; L48-T172 HydrophobicContact CD2-CG2 3.67Å; L48-T172 WeakPolarHBondContact CD2-O 3.31Å; L48-I175 HydrophobicContact CD1-CD1 3.7Å; L48-I175 HydrophobicContact CD1-CG1 3.86Å
49	V	94	Very high	93	Very high	19 Å²	19	60.9 Å²	60.9	12%	0.115	33%	0.326	C	S	.	.			trans	-102.5	125.2	173.9	179.4	0	0	0	0	107.8	F51 N67 V69 A72 P73	V49-F51 HydrophobicContact CG1-CD1 4.11Å; V49-F51 HydrophobicContact CG1-CE1 3.38Å; V49-F51 HydrophobicContact CG1-CE2 4.43Å; V49-F51 HydrophobicContact CG1-CZ 3.58Å; V49-N67 HydrophobicContact CG2-CB 3.81Å; V49-V69 HydrophobicContact CB-CG2 4.13Å; V49-V69 HydrophobicContact CG2-CG1 4.14Å; V49-V69 HydrophobicContact CG2-CG2 3.91Å; V49-A72 HydrophobicContact CG1-CB 4.49Å; V49-A72 VanDerWaalsContact O-CB 3.27Å; V49-A72 WeakPolarHBondContact O-CB 3.45Å; V49-P73 WeakPolarHBondContact O-CD 3.36Å
50	V	92.6	Very high	92.8	Very high	58 Å²	58	53.9 Å²	53.9	35%	0.352	30%	0.299	S	S	.	.			trans	-119.7	137.9	177.8	179.4	0	0	0	0	108.2	L48 P73 W75 F82	L48-V50 HydrophobicContact CD2-CG2 4.05Å; L48-V50 HydrophobicContact CG-CG2 4.16Å; V50-P73 HydrophobicContact CG2-CG 4.46Å; V50-W75 HydrophobicContact CG1-CB 3.74Å; V50-F82 HydrophobicContact CG1-CE1 3.77Å; V50-F82 HydrophobicContact CG2-CE1 4.11Å
51	F	93.4	Very high	92.7	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.8	175.7	-59.5	-44.1	0	0	0	111.4	V49 L55 A60 A63 L64 A72 P73 L74 W75 L95 I123	V49-F51 HydrophobicContact CG1-CD1 4.11Å; V49-F51 HydrophobicContact CG1-CE1 3.38Å; V49-F51 HydrophobicContact CG1-CE2 4.43Å; V49-F51 HydrophobicContact CG1-CZ 3.58Å; F51-L55 HydrophobicContact CB-CD2 4.05Å; F51-L55 HydrophobicContact CD1-CD2 3.66Å; F51-L55 HydrophobicContact CE1-CD2 4.31Å; F51-L55 HydrophobicContact CG-CD2 3.93Å; F51-A60 HydrophobicContact CD2-CB 3.98Å; F51-A60 HydrophobicContact CE2-CB 4.06Å; F51-A60 WeakPolarHBondContact CE2-O 3.41Å; F51-A60 HydrophobicContact CG-CB 4.41Å; F51-A60 WeakPolarHBondContact CZ-O 3.44Å; F51-A63 HydrophobicContact CE1-CB 3.6Å; F51-A63 HydrophobicContact CZ-CB 3.64Å; F51-L64 HydrophobicContact CE2-CD2 3.63Å; F51-L64 HydrophobicContact CE2-CG 3.78Å; F51-L64 HydrophobicContact CZ-CD2 3.95Å; F51-L64 HydrophobicContact CZ-CG 4.07Å; F51-A72 HydrophobicContact CD2-CB 3.49Å; F51-A72 VanDerWaalsContact CD2-CB 3.49Å; F51-A72 HydrophobicContact CE2-CB 3.44Å; F51-A72 VanDerWaalsContact CE2-CB 3.44Å; F51-A72 HydrophobicContact CG-CB 4.28Å; F51-A72 HydrophobicContact CZ-CB 4.18Å; F51-P73 PolarHBondContact N-O 3.05Å; F51-P73 VanDerWaalsContact N-O 3.09Å; F51-L74 HydrophobicContact CB-CD2 4.01Å; F51-L74 CarbonylContact O-C 3.54Å; F51-L74 WeakPolarHBondContact O-CA 3.35Å; F51-W75 PolarHBondContact O-N 3.25Å; F51-L95 HydrophobicContact CD2-CD2 3.93Å; F51-L95 HydrophobicContact CE2-CD2 4.17Å; F51-I123 HydrophobicContact CB-CD1 3.94Å
52	D	92	Very high	92.4	Very high	42 Å²	42	53.1 Å²	53.1	23%	0.225	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.9	165.7	-169.8	-81.2	0	0	0	109.9	S54 L55 W75 S77	D52-S54 PolarHBondContact O-N 3.29Å; D52-S54 VanDerWaalsContact O-N 3.17Å; D52-S54 WeakPolarHBondContact OD1-CB 3.38Å; D52-S54 PolarHBondContact OD1-N 3.29Å; D52-S54 PolarHBondContact OD1-OG 2.88Å; D52-L55 WeakPolarHBondContact O-CB 3.5Å; D52-L55 PolarHBondContact O-N 3.29Å; D52-W75 CarbonylContact C-O 3.59Å; D52-W75 WeakPolarHBondContact CA-O 3.48Å; D52-S77 WeakPolarHBondContact OD2-CB 3.36Å; D52-S77 PolarHBondContact OD2-OG 2.86Å
53	T	89.3	Confident	92.3	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.8	-179.9	50.5	0	0	0	0	114	L55 L74 W75 D76 L92 I123 E124	T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 3.05Å; T53-L74 HydrophobicContact CG2-CB 4.13Å; T53-W75 WeakPolarHBondContact CG2-O 3.38Å; T53-W75 PolarHBondContact N-O 3.02Å; T53-W75 PolarHBondContact OG1-O 2.92Å; T53-D76 HydrophobicContact CG2-CB 4.42Å; T53-L92 HydrophobicContact CG2-CD1 4.01Å; T53-L92 HydrophobicContact CG2-CD2 3.95Å; T53-I123 WeakPolarHBondContact O-CB 3.37Å; T53-I123 PolarHBondContact O-N 3.1Å; T53-E124 PolarHBondContact O-N 3.24Å
54	S	90.5	Very high	92.2	Very high	59 Å²	59	51 Å²	51	41%	0.413	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.2	174.2	70.4	0	0	0	0	114.1	D52 K122	D52-S54 PolarHBondContact O-N 3.29Å; D52-S54 VanDerWaalsContact O-N 3.17Å; D52-S54 WeakPolarHBondContact OD1-CB 3.38Å; D52-S54 PolarHBondContact OD1-N 3.29Å; D52-S54 PolarHBondContact OD1-OG 2.88Å; S54-K122 WeakPolarHBondContact O-CD 3.47Å; S54-K122 WeakPolarHBondContact O-CG 3.1Å
55	L	93.4	Very high	91.9	Very high	52 Å²	52	45.5 Å²	45.5	27%	0.272	25%	0.249	S	C	.	.	S	Bend	trans	-64.8	141	177.3	-175	63.1	0	0	0	110.8	F51 D52 T53 K59 A60 K122 I123	F51-L55 HydrophobicContact CB-CD2 4.05Å; F51-L55 HydrophobicContact CD1-CD2 3.66Å; F51-L55 HydrophobicContact CE1-CD2 4.31Å; F51-L55 HydrophobicContact CG-CD2 3.93Å; D52-L55 WeakPolarHBondContact O-CB 3.5Å; D52-L55 PolarHBondContact O-N 3.29Å; T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 3.05Å; L55-K59 HydrophobicContact CD1-CB 4.13Å; L55-K59 HydrophobicContact CD1-CD 4.5Å; L55-K59 HydrophobicContact CG-CB 4.45Å; L55-A60 HydrophobicContact CD2-CB 3.87Å; L55-A60 HydrophobicContact CG-CB 4.39Å; L55-K122 WeakPolarHBondContact O-CA 3.44Å; L55-I123 HydrophobicContact CB-CD1 4.09Å; L55-I123 WeakPolarHBondContact O-CG1 3.49Å; L55-I123 PolarHBondContact O-N 3.19Å
56	Q	92.8	Very high	91.7	Very high	64 Å²	64	46 Å²	46	30%	0.299	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-62.7	135.8	172.6	-76.4	174.1	-28.6	0	0	111	K58 K59 A60 H121	Q56-K58 PolarHBondContact O-N 3.1Å; Q56-K59 HydrophobicContact CB-CB 4.32Å; Q56-K59 HydrophobicContact CB-CD 4.27Å; Q56-K59 HydrophobicContact CB-CG 4.23Å; Q56-K59 PolarHBondContact O-N 2.86Å; Q56-K59 VanDerWaalsContact O-N 3.12Å; Q56-K59 VanDerWaalsContact OE1-NZ 3.08Å; Q56-A60 PolarHBondContact O-N 2.78Å; Q56-H121 WeakPolarHBondContact CA-O 3.28Å
57	V	90.9	Very high	91.5	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-46.7	-175.8	171.8	0	0	0	0	111.7	K59 A60 F61 I103 L118 H121 K122 I123 W126	V57-K59 VanDerWaalsContact C-N 3.32Å; V57-K59 PolarHBondContact O-N 2.67Å; V57-A60 WeakPolarHBondContact O-CB 3.43Å; V57-A60 PolarHBondContact O-N 3.16Å; V57-A60 VanDerWaalsContact O-N 3.15Å; V57-F61 HydrophobicContact CG1-CD2 3.7Å; V57-F61 HydrophobicContact CG1-CE2 3.31Å; V57-F61 HydrophobicContact CG1-CZ 4.37Å; V57-F61 VanDerWaalsContact O-CD2 3.26Å; V57-F61 WeakPolarHBondContact O-CD2 3.45Å; V57-F61 PolarHBondContact O-N 3.42Å; V57-I103 HydrophobicContact CG1-CD1 3.64Å; V57-L118 HydrophobicContact CG1-CD1 3.72Å; V57-H121 HydrophobicContact CG2-CB 4.19Å; V57-H121 WeakPolarHBondContact CG2-O 3.07Å; V57-H121 PolarHBondContact N-O 3.03Å; V57-K122 VanDerWaalsContact CG2-C 3.47Å; V57-K122 WeakPolarHBondContact CG2-O 3.35Å; V57-I123 HydrophobicContact CG2-CG1 4.25Å; V57-W126 HydrophobicContact CG2-CB 4.16Å
58	K	89.5	Confident	91.2	Very high	50 Å²	50	43.4 Å²	43.4	22%	0.217	25%	0.252	C	S	.	.	H	α-helix	trans	-53.7	-46.3	174.5	177.7	174.3	173.7	176.9	0	112.5	Q56 F61 F62 L118 E119 Y264	Q56-K58 PolarHBondContact O-N 3.1Å; K58-F61 PolarHBondContact O-N 3.26Å; K58-F62 HydrophobicContact CG-CE2 4.44Å; K58-F62 HydrophobicContact CG-CZ 4.29Å; K58-F62 PolarHBondContact O-N 2.87Å; K58-L118 WeakPolarHBondContact CB-O 3.39Å; K58-L118 PolarHBondContact N-O 2.75Å; K58-E119 HydrophobicContact CD-CB 4.36Å; K58-E119 HydrophobicContact CD-CG 4.1Å; K58-E119 IonicContact NZ-OE1 2.6Å; K58-E119 PolarHBondContact NZ-OE1 2.99Å; K58-E119 IonicContact NZ-OE2 3.28Å; K58-E119 PolarHBondContact NZ-OE2 3.46Å; K58-Y264 WeakPolarHBondContact CE-OH 3.37Å
59	K	91.8	Very high	91	Very high	121 Å²	121	42.2 Å²	42.2	53%	0.526	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-38.3	178.7	-69.5	-177.1	177.5	162.4	0	111.9	L55 Q56 V57 F62 A63	L55-K59 HydrophobicContact CD1-CB 4.13Å; L55-K59 HydrophobicContact CD1-CD 4.5Å; L55-K59 HydrophobicContact CG-CB 4.45Å; Q56-K59 HydrophobicContact CB-CB 4.32Å; Q56-K59 HydrophobicContact CB-CD 4.27Å; Q56-K59 HydrophobicContact CB-CG 4.23Å; Q56-K59 PolarHBondContact O-N 2.86Å; Q56-K59 VanDerWaalsContact O-N 3.12Å; Q56-K59 VanDerWaalsContact OE1-NZ 3.08Å; V57-K59 VanDerWaalsContact C-N 3.32Å; V57-K59 PolarHBondContact O-N 2.67Å; K59-F62 PolarHBondContact O-N 3.02Å; K59-A63 VanDerWaalsContact O-CB 3.3Å; K59-A63 WeakPolarHBondContact O-CB 3.32Å; K59-A63 PolarHBondContact O-N 3.45Å
60	A	92.7	Very high	90.6	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177.5	0	0	0	0	0	111.8	F51 L55 Q56 V57 A63 L64 L95 I123	F51-A60 HydrophobicContact CD2-CB 3.98Å; F51-A60 HydrophobicContact CE2-CB 4.06Å; F51-A60 WeakPolarHBondContact CE2-O 3.41Å; F51-A60 HydrophobicContact CG-CB 4.41Å; F51-A60 WeakPolarHBondContact CZ-O 3.44Å; L55-A60 HydrophobicContact CD2-CB 3.87Å; L55-A60 HydrophobicContact CG-CB 4.39Å; Q56-A60 PolarHBondContact O-N 2.78Å; V57-A60 WeakPolarHBondContact O-CB 3.43Å; V57-A60 PolarHBondContact O-N 3.16Å; V57-A60 VanDerWaalsContact O-N 3.15Å; A60-A63 PolarHBondContact O-N 3.45Å; A60-L64 WeakPolarHBondContact O-CG 3.32Å; A60-L64 PolarHBondContact O-N 3.04Å; A60-L95 HydrophobicContact CB-CD2 3.62Å; A60-I123 HydrophobicContact CB-CD1 3.81Å; A60-I123 HydrophobicContact CB-CG1 4.31Å
61	F	91.1	Very high	90.5	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-38	177.1	-69.5	-57.7	0	0	0	112.9	V57 K58 A63 L64 V65 L95 D99 F100 I103 L118 I256	V57-F61 HydrophobicContact CG1-CD2 3.7Å; V57-F61 HydrophobicContact CG1-CE2 3.31Å; V57-F61 HydrophobicContact CG1-CZ 4.37Å; V57-F61 VanDerWaalsContact O-CD2 3.26Å; V57-F61 WeakPolarHBondContact O-CD2 3.45Å; V57-F61 PolarHBondContact O-N 3.42Å; K58-F61 PolarHBondContact O-N 3.26Å; F61-A63 VanDerWaalsContact C-N 3.34Å; F61-L64 HydrophobicContact CD1-CD1 3.93Å; F61-L64 HydrophobicContact CE1-CD1 4.36Å; F61-L64 WeakPolarHBondContact O-CB 3.27Å; F61-L64 PolarHBondContact O-N 3.05Å; F61-V65 PolarHBondContact O-N 3.24Å; F61-V65 VanDerWaalsContact O-N 3.17Å; F61-L95 HydrophobicContact CE1-CD1 4.1Å; F61-L95 HydrophobicContact CE1-CD2 4.19Å; F61-L95 HydrophobicContact CE1-CG 4.04Å; F61-L95 HydrophobicContact CZ-CD1 3.88Å; F61-L95 HydrophobicContact CZ-CD2 4.46Å; F61-L95 HydrophobicContact CZ-CG 4.31Å; F61-D99 HydrophobicContact CZ-CB 4.32Å; F61-F100 HydrophobicContact CB-CD2 4.43Å; F61-F100 HydrophobicContact CD1-CB 3.88Å; F61-F100 HydrophobicContact CD1-CD2 4.13Å; F61-F100 HydrophobicContact CD1-CG 4.15Å; F61-F100 HydrophobicContact CD2-CB 4.42Å; F61-F100 AromaticContact CD2-CD2 3.42Å; F61-F100 HydrophobicContact CD2-CD2 3.42Å; F61-F100 VanDerWaalsContact CD2-CD2 3.42Å; F61-F100 HydrophobicContact CD2-CE2 4.04Å; F61-F100 HydrophobicContact CD2-CG 4.23Å; F61-F100 HydrophobicContact CE1-CB 3.5Å; F61-F100 HydrophobicContact CE1-CD2 4.31Å; F61-F100 HydrophobicContact CE1-CG 4.22Å; F61-F100 HydrophobicContact CE2-CB 4Å; F61-F100 AromaticContact CE2-CD2 3.54Å; F61-F100 HydrophobicContact CE2-CD2 3.54Å; F61-F100 HydrophobicContact CE2-CE2 4.5Å; F61-F100 HydrophobicContact CE2-CG 4.21Å; F61-F100 HydrophobicContact CG-CB 4.37Å; F61-F100 AromaticContact CG-CD2 3.73Å; F61-F100 HydrophobicContact CG-CD2 3.73Å; F61-F100 HydrophobicContact CG-CE2 4.34Å; F61-F100 HydrophobicContact CG-CG 4.21Å; F61-F100 VanDerWaalsContact CZ-CA 3.48Å; F61-F100 HydrophobicContact CZ-CB 3.56Å; F61-F100 HydrophobicContact CZ-CD2 4.03Å; F61-F100 HydrophobicContact CZ-CG 4.24Å; F61-I103 HydrophobicContact CE2-CD1 3.63Å; F61-I103 HydrophobicContact CZ-CD1 3.94Å; F61-L118 HydrophobicContact CD2-CD1 4.37Å; F61-L118 HydrophobicContact CE2-CD1 4.46Å; F61-I256 HydrophobicContact CB-CD1 4.44Å; F61-I256 HydrophobicContact CD1-CD1 4.03Å
62	F	90	Very high	90.4	Very high	53 Å²	53	42 Å²	42	23%	0.232	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-43.2	172.3	-76.6	10.7	0	0	0	111.3	K58 K59 L64 V65 T66 A259 K262 Y264	K58-F62 HydrophobicContact CG-CE2 4.44Å; K58-F62 HydrophobicContact CG-CZ 4.29Å; K58-F62 PolarHBondContact O-N 2.87Å; K59-F62 PolarHBondContact O-N 3.02Å; F62-L64 VanDerWaalsContact C-N 3.28Å; F62-L64 PolarHBondContact O-N 3.3Å; F62-V65 WeakPolarHBondContact O-CB 3.48Å; F62-V65 PolarHBondContact O-N 3.44Å; F62-V65 VanDerWaalsContact O-N 3.14Å; F62-T66 PolarHBondContact O-N 2.98Å; F62-T66 PolarHBondContact O-OG1 3.37Å; F62-A259 HydrophobicContact CD1-CB 4.21Å; F62-A259 HydrophobicContact CE1-CB 4.18Å; F62-A259 WeakPolarHBondContact CE1-O 3.38Å; F62-K262 HydrophobicContact CE2-CG 4.48Å; F62-K262 HydrophobicContact CZ-CD 4.35Å; F62-K262 HydrophobicContact CZ-CG 3.88Å; F62-Y264 HydrophobicContact CE1-CE1 4.12Å; F62-Y264 HydrophobicContact CZ-CE1 4.16Å
63	A	92.1	Very high	90.4	Very high	26 Å²	26	40.3 Å²	40.3	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-33.5	176.8	0	0	0	0	0	112.6	F51 K59 A60 F61 N67	F51-A63 HydrophobicContact CE1-CB 3.6Å; F51-A63 HydrophobicContact CZ-CB 3.64Å; K59-A63 VanDerWaalsContact O-CB 3.3Å; K59-A63 WeakPolarHBondContact O-CB 3.32Å; K59-A63 PolarHBondContact O-N 3.45Å; A60-A63 PolarHBondContact O-N 3.45Å; F61-A63 VanDerWaalsContact C-N 3.34Å; A63-N67 VanDerWaalsContact O-CB 3.27Å; A63-N67 WeakPolarHBondContact O-CB 3.38Å; A63-N67 PolarHBondContact O-N 3.42Å; A63-N67 PolarHBondContact O-ND2 3.21Å
64	L	90.9	Very high	90.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-48.6	171.9	-71.2	179.4	0	0	0	111.3	F51 A60 F61 F62 N67 G68 V69 A72	F51-L64 HydrophobicContact CE2-CD2 3.63Å; F51-L64 HydrophobicContact CE2-CG 3.78Å; F51-L64 HydrophobicContact CZ-CD2 3.95Å; F51-L64 HydrophobicContact CZ-CG 4.07Å; A60-L64 WeakPolarHBondContact O-CG 3.32Å; A60-L64 PolarHBondContact O-N 3.04Å; F61-L64 HydrophobicContact CD1-CD1 3.93Å; F61-L64 HydrophobicContact CE1-CD1 4.36Å; F61-L64 WeakPolarHBondContact O-CB 3.27Å; F61-L64 PolarHBondContact O-N 3.05Å; F62-L64 VanDerWaalsContact C-N 3.28Å; F62-L64 PolarHBondContact O-N 3.3Å; L64-N67 PolarHBondContact O-N 2.9Å; L64-G68 PolarHBondContact O-N 3.19Å; L64-G68 VanDerWaalsContact O-N 3.08Å; L64-V69 CarbonylContact C-O 3.59Å; L64-V69 HydrophobicContact CB-CG2 4.39Å; L64-V69 WeakPolarHBondContact CB-O 3.27Å; L64-V69 HydrophobicContact CD2-CG2 3.56Å; L64-V69 PolarHBondContact O-N 2.95Å; L64-A72 HydrophobicContact CD2-CB 3.81Å
65	V	88.4	Confident	90.1	Very high	46 Å²	46	40.4 Å²	40.4	28%	0.279	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-53.1	177.4	173.5	0	0	0	0	110.9	F61 F62 N67 G68 I256 A259 A260	F61-V65 PolarHBondContact O-N 3.24Å; F61-V65 VanDerWaalsContact O-N 3.17Å; F62-V65 WeakPolarHBondContact O-CB 3.48Å; F62-V65 PolarHBondContact O-N 3.44Å; F62-V65 VanDerWaalsContact O-N 3.14Å; V65-N67 PolarHBondContact O-N 3.46Å; V65-G68 PolarHBondContact O-N 2.97Å; V65-I256 HydrophobicContact CG2-CG1 3.7Å; V65-A259 HydrophobicContact CG2-CB 4.43Å; V65-A260 HydrophobicContact CB-CB 4.49Å; V65-A260 HydrophobicContact CG1-CB 3.48Å; V65-A260 VanDerWaalsContact CG1-CB 3.48Å; V65-A260 HydrophobicContact CG2-CB 4.28Å
66	T	89.6	Confident	89.6	Confident	118 Å²	118	38 Å²	38	72%	0.724	21%	0.209	S	C	*	.	H	α-helix	trans	-58.7	-35.2	-178	-55.9	0	0	0	0	112	F62	F62-T66 PolarHBondContact O-N 2.98Å; F62-T66 PolarHBondContact O-OG1 3.37Å
67	N	90.5	Very high	89.2	Confident	58 Å²	58	37.6 Å²	37.6	31%	0.31	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.2	178.4	-79	-77.5	0	0	0	114.3	K47 V49 A63 L64 V65 V69	K47-N67 PolarHBondContact NZ-O 3.4Å; K47-N67 PolarHBondContact NZ-OD1 2.82Å; K47-N67 VanDerWaalsContact NZ-OD1 3.11Å; V49-N67 HydrophobicContact CG2-CB 3.81Å; A63-N67 VanDerWaalsContact O-CB 3.27Å; A63-N67 WeakPolarHBondContact O-CB 3.38Å; A63-N67 PolarHBondContact O-N 3.42Å; A63-N67 PolarHBondContact O-ND2 3.21Å; L64-N67 PolarHBondContact O-N 2.9Å; V65-N67 PolarHBondContact O-N 3.46Å; N67-V69 HydrophobicContact CB-CG1 4.39Å; N67-V69 HydrophobicContact CB-CG2 3.89Å; N67-V69 PolarHBondContact O-N 3.18Å
68	G	87.3	Confident	88.7	Confident	70 Å²	70	44.9 Å²	44.9	72%	0.722	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	24.3	-176	0	0	0	0	0	113.6	L64 V65	L64-G68 PolarHBondContact O-N 3.19Å; L64-G68 VanDerWaalsContact O-N 3.08Å; V65-G68 PolarHBondContact O-N 2.97Å
69	V	88.5	Confident	87.9	Confident	32 Å²	32	48.2 Å²	48.2	19%	0.194	26%	0.259	C	S	.	.			trans	-105.7	147.1	-177.9	-65.7	0	0	0	0	110.9	V49 L64 N67	V49-V69 HydrophobicContact CB-CG2 4.13Å; V49-V69 HydrophobicContact CG2-CG1 4.14Å; V49-V69 HydrophobicContact CG2-CG2 3.91Å; L64-V69 CarbonylContact C-O 3.59Å; L64-V69 HydrophobicContact CB-CG2 4.39Å; L64-V69 WeakPolarHBondContact CB-O 3.27Å; L64-V69 HydrophobicContact CD2-CG2 3.56Å; L64-V69 PolarHBondContact O-N 2.95Å; N67-V69 HydrophobicContact CB-CG1 4.39Å; N67-V69 HydrophobicContact CB-CG2 3.89Å; N67-V69 PolarHBondContact O-N 3.18Å
70	R	86.1	Confident	86.8	Confident	78 Å²	78	49.1 Å²	49.1	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	-102.1	-8.4	-173.7	-64.3	178.6	177.7	179.4	-1.2	113.9	I97 R161 F253 H307	R70-I97 HydrophobicContact CB-CD1 4.21Å; R70-I97 HydrophobicContact CG-CD1 4.35Å; R70-R161 VanDerWaalsContact CD-NH2 3.31Å; R70-F253 HydrophobicContact CG-CD2 4.06Å; R70-F253 HydrophobicContact CG-CE2 4.05Å; R70-H307 PolarHBondContact NH1-NE2 2.9Å; R70-H307 VanDerWaalsContact NH1-NE2 3.12Å
71	A	89.8	Confident	85.3	Confident	7 Å²	7	50 Å²	50	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	153.6	177	0	0	0	0	0	109.3	M94 L95 T96 R161	A71-M94 HydrophobicContact CB-CE 3.71Å; A71-L95 CarbonylContact C-O 3.58Å; A71-L95 WeakPolarHBondContact CA-O 3.44Å; A71-T96 HydrophobicContact CB-CG2 4.05Å; A71-R161 HydrophobicContact CB-CG 3.96Å
72	A	92	Very high	83.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.6	175.1	0	0	0	0	0	109.9	V49 F51 L64 L95	V49-A72 HydrophobicContact CG1-CB 4.49Å; V49-A72 VanDerWaalsContact O-CB 3.27Å; V49-A72 WeakPolarHBondContact O-CB 3.45Å; F51-A72 HydrophobicContact CD2-CB 3.49Å; F51-A72 VanDerWaalsContact CD2-CB 3.49Å; F51-A72 HydrophobicContact CE2-CB 3.44Å; F51-A72 VanDerWaalsContact CE2-CB 3.44Å; F51-A72 HydrophobicContact CG-CB 4.28Å; F51-A72 HydrophobicContact CZ-CB 4.18Å; L64-A72 HydrophobicContact CD2-CB 3.81Å; A72-L95 PolarHBondContact N-O 3.29Å; A72-L95 PolarHBondContact O-N 3.32Å
73	P	90.7	Very high	81.5	Confident	6 Å²	6	49.6 Å²	49.6	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	150.8	166.6	-15.3	32.7	0	0	0	110.2	L48 V49 V50 F51 M94 T172 I175	L48-P73 HydrophobicContact CD1-CG 4.16Å; V49-P73 WeakPolarHBondContact O-CD 3.36Å; V50-P73 HydrophobicContact CG2-CG 4.46Å; F51-P73 PolarHBondContact N-O 3.05Å; F51-P73 VanDerWaalsContact N-O 3.09Å; P73-M94 HydrophobicContact CB-SD 4.36Å; P73-M94 HydrophobicContact CG-SD 4.29Å; P73-T172 HydrophobicContact CG-CG2 3.94Å; P73-I175 HydrophobicContact CG-CD1 4.33Å
74	L	89	Confident	79	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.8	177.3	-62.9	178.6	0	0	0	110.4	F51 T53 G93 L95 I123	F51-L74 HydrophobicContact CB-CD2 4.01Å; F51-L74 CarbonylContact O-C 3.54Å; F51-L74 WeakPolarHBondContact O-CA 3.35Å; T53-L74 HydrophobicContact CG2-CB 4.13Å; L74-G93 WeakPolarHBondContact CB-O 3.42Å; L74-G93 WeakPolarHBondContact CG-O 3.19Å; L74-G93 PolarHBondContact N-O 3.35Å; L74-L95 HydrophobicContact CD1-CB 4.39Å; L74-L95 HydrophobicContact CD2-CB 3.89Å; L74-L95 HydrophobicContact CG-CB 4.27Å; L74-I123 HydrophobicContact CD1-CG2 3.58Å; L74-I123 HydrophobicContact CD2-CD1 3.88Å; L74-I123 HydrophobicContact CD2-CG2 3.87Å; L74-I123 HydrophobicContact CG-CG2 4.36Å
75	W	85.8	Confident	76.2	Confident	60 Å²	60	60.7 Å²	60.7	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.9	177.1	175.3	-94.1	0	0	0	110.3	V50 F51 D52 T53 S77 Q80 S81 F82	V50-W75 HydrophobicContact CG1-CB 3.74Å; F51-W75 PolarHBondContact O-N 3.25Å; D52-W75 CarbonylContact C-O 3.59Å; D52-W75 WeakPolarHBondContact CA-O 3.48Å; T53-W75 WeakPolarHBondContact CG2-O 3.38Å; T53-W75 PolarHBondContact N-O 3.02Å; T53-W75 PolarHBondContact OG1-O 2.92Å; W75-S77 PolarHBondContact NE1-OG 2.73Å; W75-Q80 VanDerWaalsContact CH2-C 3.46Å; W75-S81 VanDerWaalsContact CH2-CA 3.42Å; W75-S81 VanDerWaalsContact CZ3-CA 3.41Å; W75-F82 HydrophobicContact CE3-CB 4.27Å; W75-F82 AromaticContact CE3-CD1 3.65Å; W75-F82 HydrophobicContact CE3-CD1 3.65Å; W75-F82 AromaticContact CE3-CD2 3.54Å; W75-F82 HydrophobicContact CE3-CD2 3.54Å; W75-F82 AromaticContact CE3-CE1 3.75Å; W75-F82 HydrophobicContact CE3-CE1 3.75Å; W75-F82 AromaticContact CE3-CE2 3.63Å; W75-F82 HydrophobicContact CE3-CE2 3.63Å; W75-F82 AromaticContact CE3-CG 3.54Å; W75-F82 HydrophobicContact CE3-CG 3.54Å; W75-F82 AromaticContact CE3-CZ 3.73Å; W75-F82 HydrophobicContact CE3-CZ 3.73Å; W75-F82 HydrophobicContact CZ3-CD1 4.36Å; W75-F82 AromaticContact CZ3-CD2 3.38Å; W75-F82 HydrophobicContact CZ3-CD2 3.38Å; W75-F82 HydrophobicContact CZ3-CE1 4.46Å; W75-F82 AromaticContact CZ3-CE2 3.49Å; W75-F82 HydrophobicContact CZ3-CE2 3.49Å; W75-F82 VanDerWaalsContact CZ3-CE2 3.49Å; W75-F82 AromaticContact CZ3-CG 3.84Å; W75-F82 HydrophobicContact CZ3-CG 3.84Å; W75-F82 HydrophobicContact CZ3-CZ 4.05Å
76	D	83	Confident	73.4	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.011	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-114	105.1	174.6	179.5	-7.4	0	0	0	109.9	T53 K78 K79 Q80 S81 L92	T53-D76 HydrophobicContact CG2-CB 4.42Å; D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 3.32Å; D76-K78 WeakPolarHBondContact OD1-CB 3.35Å; D76-K78 PolarHBondContact OD1-N 3.4Å; D76-K79 HydrophobicContact CB-CB 4.41Å; D76-K79 PolarHBondContact O-N 3.28Å; D76-K79 PolarHBondContact OD1-N 2.62Å; D76-K79 WeakPolarHBondContact OD2-CD 3.37Å; D76-K79 WeakPolarHBondContact OD2-CE 3.29Å; D76-K79 WeakPolarHBondContact OD2-CG 3.41Å; D76-K79 IonicContact OD2-NZ 3.86Å; D76-K79 PolarHBondContact OD2-NZ 3.22Å; D76-Q80 PolarHBondContact O-N 3.08Å; D76-S81 PolarHBondContact N-O 3.49Å; D76-L92 HydrophobicContact CB-CD1 3.32Å
77	S	83.1	Confident	70.8	Confident	55 Å²	55	68.1 Å²	68.1	39%	0.385	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.2	179.9	-70.1	0	0	0	0	113.7	D52 W75 K79 Q80	D52-S77 WeakPolarHBondContact OD2-CB 3.36Å; D52-S77 PolarHBondContact OD2-OG 2.86Å; W75-S77 PolarHBondContact NE1-OG 2.73Å; S77-K79 VanDerWaalsContact C-N 3.34Å; S77-Q80 PolarHBondContact O-NE2 3.31Å
78	K	80.3	Confident	68.2	Low	155 Å²	155	73.6 Å²	73.6	67%	0.674	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.9	177.6	-59.8	173.1	-166.9	153	0	110.9	D76 E124	D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 3.32Å; D76-K78 WeakPolarHBondContact OD1-CB 3.35Å; D76-K78 PolarHBondContact OD1-N 3.4Å; K78-E124 IonicContact NZ-OE1 2.75Å; K78-E124 PolarHBondContact NZ-OE1 3.08Å; K78-E124 IonicContact NZ-OE2 3.01Å; K78-E124 PolarHBondContact NZ-OE2 3.17Å
79	K	72.5	Confident	65.8	Low	120 Å²	120	73.4 Å²	73.4	52%	0.522	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.3	179.9	-61.7	-174.4	-169	104.6	0	113.5	D76 S77 S81	D76-K79 HydrophobicContact CB-CB 4.41Å; D76-K79 PolarHBondContact O-N 3.28Å; D76-K79 PolarHBondContact OD1-N 2.62Å; D76-K79 WeakPolarHBondContact OD2-CD 3.37Å; D76-K79 WeakPolarHBondContact OD2-CE 3.29Å; D76-K79 WeakPolarHBondContact OD2-CG 3.41Å; D76-K79 IonicContact OD2-NZ 3.86Å; D76-K79 PolarHBondContact OD2-NZ 3.22Å; S77-K79 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.37Å; K79-S81 VanDerWaalsContact O-N 3.16Å
80	Q	68.7	Low	63.5	Low	140 Å²	140	73.5 Å²	73.5	65%	0.654	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	43.9	-179.6	-74.6	-65.7	-55.1	0	0	113	W75 D76 S77	W75-Q80 VanDerWaalsContact CH2-C 3.46Å; D76-Q80 PolarHBondContact O-N 3.08Å; S77-Q80 PolarHBondContact O-NE2 3.31Å
81	S	61.2	Low	61.3	Low	19 Å²	19	72 Å²	72	13%	0.133	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-157.1	161.2	-179.9	-168.5	0	0	0	0	109.7	W75 D76 K79 V83 V84	W75-S81 VanDerWaalsContact CH2-CA 3.42Å; W75-S81 VanDerWaalsContact CZ3-CA 3.41Å; D76-S81 PolarHBondContact N-O 3.49Å; K79-S81 PolarHBondContact O-N 3.37Å; K79-S81 VanDerWaalsContact O-N 3.16Å; S81-V83 PolarHBondContact O-N 3.12Å; S81-V83 VanDerWaalsContact OG-C 3.23Å; S81-V83 PolarHBondContact OG-N 3.08Å; S81-V84 VanDerWaalsContact CB-N 3.3Å; S81-V84 PolarHBondContact OG-N 2.81Å
82	F	55.7	Low	59.5	Low	31 Å²	31	72.4 Å²	72.4	14%	0.136	38%	0.377	C	S	.	.	S	Bend	trans	-66.2	21.6	156.9	-64.1	-82.7	0	0	0	111.1	V50 W75 G170	V50-F82 HydrophobicContact CG1-CE1 3.77Å; V50-F82 HydrophobicContact CG2-CE1 4.11Å; W75-F82 HydrophobicContact CE3-CB 4.27Å; W75-F82 AromaticContact CE3-CD1 3.65Å; W75-F82 HydrophobicContact CE3-CD1 3.65Å; W75-F82 AromaticContact CE3-CD2 3.54Å; W75-F82 HydrophobicContact CE3-CD2 3.54Å; W75-F82 AromaticContact CE3-CE1 3.75Å; W75-F82 HydrophobicContact CE3-CE1 3.75Å; W75-F82 AromaticContact CE3-CE2 3.63Å; W75-F82 HydrophobicContact CE3-CE2 3.63Å; W75-F82 AromaticContact CE3-CG 3.54Å; W75-F82 HydrophobicContact CE3-CG 3.54Å; W75-F82 AromaticContact CE3-CZ 3.73Å; W75-F82 HydrophobicContact CE3-CZ 3.73Å; W75-F82 HydrophobicContact CZ3-CD1 4.36Å; W75-F82 AromaticContact CZ3-CD2 3.38Å; W75-F82 HydrophobicContact CZ3-CD2 3.38Å; W75-F82 HydrophobicContact CZ3-CE1 4.46Å; W75-F82 AromaticContact CZ3-CE2 3.49Å; W75-F82 HydrophobicContact CZ3-CE2 3.49Å; W75-F82 VanDerWaalsContact CZ3-CE2 3.49Å; W75-F82 AromaticContact CZ3-CG 3.84Å; W75-F82 HydrophobicContact CZ3-CG 3.84Å; W75-F82 HydrophobicContact CZ3-CZ 4.05Å; F82-G170 WeakPolarHBondContact CD2-O 3.34Å; F82-G170 WeakPolarHBondContact CE2-O 3.13Å
83	V	47.4	Very low	58.5	Low	14 Å²	14	72.8 Å²	72.8	9%	0.085	38%	0.381	C	S	.	.	S	Bend	trans	68.1	100.8	-157.6	-178.4	0	0	0	0	115.2	S81 C90 P91 L92	S81-V83 PolarHBondContact O-N 3.12Å; S81-V83 VanDerWaalsContact OG-C 3.23Å; S81-V83 PolarHBondContact OG-N 3.08Å; V83-C90 HydrophobicContact CB-CB 4.14Å; V83-C90 HydrophobicContact CG1-CB 3.69Å; V83-C90 PolarHBondContact O-SG 3.28Å; V83-P91 HydrophobicContact CG1-CG 4.4Å; V83-L92 HydrophobicContact CB-CB 4.18Å; V83-L92 HydrophobicContact CB-CD1 4.49Å; V83-L92 HydrophobicContact CG2-CB 3.34Å; V83-L92 HydrophobicContact CG2-CD1 3.04Å; V83-L92 HydrophobicContact CG2-CG 3.32Å
84	V	37.7	Very low	58.3	Low	92 Å²	92	73.5 Å²	73.5	56%	0.558	38%	0.384	S	S	*	.			trans	-161.2	123.4	155.5	-178.4	0	0	0	0	108.9	S81	S81-V84 VanDerWaalsContact CB-N 3.3Å; S81-V84 PolarHBondContact OG-N 2.81Å
85	L	33.2	Very low	58.3	Low	168 Å²	168	73.3 Å²	73.3	88%	0.88	38%	0.383	S	S	*	.	S	Bend	trans	-166.7	74	131.1	-107.4	156.1	0	0	0	110.3
86	R	30.5	Very low	58.5	Low	229 Å²	229	71.8 Å²	71.8	86%	0.864	38%	0.38	S	S	*	.	S	Bend	trans	157.4	129.7	139.1	-87.9	176.8	148.7	135.4	-1.1	108.7
87	A	33.2	Very low	58.9	Low	90 Å²	90	72.4 Å²	72.4	74%	0.744	38%	0.383	S	S	*	.	S	Bend	trans	9.4	124.4	166.7	0	0	0	0	0	118.2
88	L	35.6	Very low	59.2	Low	174 Å²	174	72 Å²	72	91%	0.911	38%	0.379	S	S	*	.	S	Bend	trans	61.8	58.9	156.4	-73.6	142.1	0	0	0	116.1
89	S	38.3	Very low	59.6	Low	66 Å²	66	65.5 Å²	65.5	46%	0.462	35%	0.351	S	S	.	.			trans	157.7	108.8	147.1	-87.2	0	0	0	0	111.8	P91 F135	S89-P91 WeakPolarHBondContact O-CD 3.07Å; S89-F135 VanDerWaalsContact CB-CE1 3.49Å; S89-F135 WeakPolarHBondContact OG-CE1 3.19Å
90	C	39.3	Very low	60.5	Low	33 Å²	33	59.9 Å²	59.9	22%	0.223	33%	0.327	C	S	.	.			trans	-94.7	109.1	173.3	-64.4	0	0	0	0	111	V83 L92 P137 L138	V83-C90 HydrophobicContact CB-CB 4.14Å; V83-C90 HydrophobicContact CG1-CB 3.69Å; V83-C90 PolarHBondContact O-SG 3.28Å; C90-L92 PolarHBondContact O-N 3.23Å; C90-P137 CarbonylContact O-C 3.47Å; C90-P137 WeakPolarHBondContact O-CA 3.44Å; C90-L138 HydrophobicContact CB-CB 4.11Å; C90-L138 PolarHBondContact O-N 3.08Å
91	P	39.6	Very low	61.6	Low	48 Å²	48	53.2 Å²	53.2	31%	0.312	30%	0.296	S	S	.	.			trans	-66	-9.6	176	15.7	-27.6	0	0	0	116.6	V83 S89 R127 F135	V83-P91 HydrophobicContact CG1-CG 4.4Å; S89-P91 WeakPolarHBondContact O-CD 3.07Å; P91-R127 PolarHBondContact O-NH2 2.68Å; P91-F135 HydrophobicContact CB-CE2 3.72Å; P91-F135 HydrophobicContact CB-CZ 4.08Å; P91-F135 HydrophobicContact CG-CE2 4.32Å; P91-F135 HydrophobicContact CG-CZ 4.48Å
92	L	53.3	Low	63	Low	15 Å²	15	53 Å²	53	8%	0.079	29%	0.293	C	S	.	.			trans	-108.2	121.1	-176.9	-62.8	174.2	0	0	0	111.6	T53 D76 V83 C90 L138	T53-L92 HydrophobicContact CG2-CD1 4.01Å; T53-L92 HydrophobicContact CG2-CD2 3.95Å; D76-L92 HydrophobicContact CB-CD1 3.32Å; V83-L92 HydrophobicContact CB-CB 4.18Å; V83-L92 HydrophobicContact CB-CD1 4.49Å; V83-L92 HydrophobicContact CG2-CB 3.34Å; V83-L92 HydrophobicContact CG2-CD1 3.04Å; V83-L92 HydrophobicContact CG2-CG 3.32Å; C90-L92 PolarHBondContact O-N 3.23Å; L92-L138 WeakPolarHBondContact O-CB 3.43Å; L92-L138 WeakPolarHBondContact O-CD2 3.48Å
93	G	71.4	Confident	64.7	Low	8 Å²	8	51.6 Å²	51.6	8%	0.082	29%	0.287	C	S	.	.			trans	-112	-154.2	-169.1	0	0	0	0	0	112.9	L74 R127	L74-G93 WeakPolarHBondContact CB-O 3.42Å; L74-G93 WeakPolarHBondContact CG-O 3.19Å; L74-G93 PolarHBondContact N-O 3.35Å; G93-R127 VanDerWaalsContact N-NH2 3.11Å
94	M	84.6	Confident	66.7	Low	21 Å²	21	51 Å²	51	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	144.1	173.1	-60.2	-71.6	-67	0	0	109.5	A71 P73 T96 L138 R161 P163 I175	A71-M94 HydrophobicContact CB-CE 3.71Å; P73-M94 HydrophobicContact CB-SD 4.36Å; P73-M94 HydrophobicContact CG-SD 4.29Å; M94-T96 HydrophobicContact CB-CG2 3.78Å; M94-L138 HydrophobicContact CG-CD1 4.13Å; M94-R161 HydrophobicContact CE-CB 4.14Å; M94-P163 HydrophobicContact SD-CB 4.34Å; M94-P163 HydrophobicContact SD-CG 4.16Å; M94-I175 HydrophobicContact CE-CD1 3.67Å; M94-I175 HydrophobicContact CE-CG1 4.01Å; M94-I175 HydrophobicContact CE-CG2 4Å
95	L	89.8	Confident	69.3	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.1	157.9	-173.7	71.4	0	0	0	108.3	F51 A60 F61 A71 A72 L74 D99 I123 W126	F51-L95 HydrophobicContact CD2-CD2 3.93Å; F51-L95 HydrophobicContact CE2-CD2 4.17Å; A60-L95 HydrophobicContact CB-CD2 3.62Å; F61-L95 HydrophobicContact CE1-CD1 4.1Å; F61-L95 HydrophobicContact CE1-CD2 4.19Å; F61-L95 HydrophobicContact CE1-CG 4.04Å; F61-L95 HydrophobicContact CZ-CD1 3.88Å; F61-L95 HydrophobicContact CZ-CD2 4.46Å; F61-L95 HydrophobicContact CZ-CG 4.31Å; A71-L95 CarbonylContact C-O 3.58Å; A71-L95 WeakPolarHBondContact CA-O 3.44Å; A72-L95 PolarHBondContact N-O 3.29Å; A72-L95 PolarHBondContact O-N 3.32Å; L74-L95 HydrophobicContact CD1-CB 4.39Å; L74-L95 HydrophobicContact CD2-CB 3.89Å; L74-L95 HydrophobicContact CG-CB 4.27Å; L95-D99 HydrophobicContact CD1-CB 3.93Å; L95-I123 HydrophobicContact CD2-CD1 4.17Å; L95-I123 HydrophobicContact CD2-CG1 4.5Å; L95-W126 HydrophobicContact CD1-CZ3 4.48Å
96	T	90.2	Very high	71.9	Confident	27 Å²	27	46.6 Å²	46.6	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	169.3	-173.8	73	0	0	0	0	111	A71 M94 T98 D99 F100	A71-T96 HydrophobicContact CB-CG2 4.05Å; M94-T96 HydrophobicContact CB-CG2 3.78Å; T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-N 3.25Å; T96-D99 WeakPolarHBondContact CA-OD2 3.47Å; T96-D99 PolarHBondContact N-OD2 2.9Å; T96-D99 WeakPolarHBondContact O-CB 3.35Å; T96-D99 PolarHBondContact O-N 3.39Å; T96-D99 PolarHBondContact OG1-OD2 3.09Å; T96-F100 PolarHBondContact O-N 3.35Å
97	I	90.4	Very high	74.7	Confident	15 Å²	15	37.2 Å²	37.2	8%	0.077	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-22.3	175.3	-46.7	170.1	0	0	0	112.1	R70 D99 F100 I101 K252 F253 I256	R70-I97 HydrophobicContact CB-CD1 4.21Å; R70-I97 HydrophobicContact CG-CD1 4.35Å; I97-D99 VanDerWaalsContact C-N 3.27Å; I97-D99 PolarHBondContact O-N 3.32Å; I97-F100 WeakPolarHBondContact O-CB 3.25Å; I97-F100 PolarHBondContact O-N 2.94Å; I97-I101 HydrophobicContact CG2-CD1 4.48Å; I97-I101 WeakPolarHBondContact O-CG1 3.03Å; I97-I101 PolarHBondContact O-N 3.45Å; I97-K252 WeakPolarHBondContact CG2-O 3.42Å; I97-F253 HydrophobicContact CD1-CD2 4.16Å; I97-I256 HydrophobicContact CD1-CB 4.25Å; I97-I256 HydrophobicContact CD1-CG2 4.41Å; I97-I256 HydrophobicContact CG1-CB 4.36Å; I97-I256 HydrophobicContact CG1-CD1 4.37Å; I97-I256 HydrophobicContact CG1-CG1 4.45Å; I97-I256 HydrophobicContact CG2-CB 4.07Å; I97-I256 HydrophobicContact CG2-CD1 4.24Å
98	T	89.9	Confident	77.3	Confident	47 Å²	47	33.3 Å²	33.3	29%	0.288	18%	0.178	S	C	.	.	H	α-helix	trans	-64.9	-35.9	174.1	-57.2	0	0	0	0	111	T96 F100 I101 N102 K252	T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-N 3.25Å; T98-F100 VanDerWaalsContact C-N 3.33Å; T98-I101 PolarHBondContact O-N 2.92Å; T98-N102 PolarHBondContact O-N 3.21Å; T98-N102 PolarHBondContact O-ND2 2.81Å; T98-K252 PolarHBondContact OG1-NZ 2.98Å; T98-K252 VanDerWaalsContact OG1-NZ 3.14Å
99	D	90	Very high	79.6	Confident	18 Å²	18	32.8 Å²	32.8	10%	0.096	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-40.2	177.4	-53.9	-55.1	0	0	0	110.4	F61 L95 T96 I97 I101 N102 I103 W126	F61-D99 HydrophobicContact CZ-CB 4.32Å; L95-D99 HydrophobicContact CD1-CB 3.93Å; T96-D99 WeakPolarHBondContact CA-OD2 3.47Å; T96-D99 PolarHBondContact N-OD2 2.9Å; T96-D99 WeakPolarHBondContact O-CB 3.35Å; T96-D99 PolarHBondContact O-N 3.39Å; T96-D99 PolarHBondContact OG1-OD2 3.09Å; I97-D99 VanDerWaalsContact C-N 3.27Å; I97-D99 PolarHBondContact O-N 3.32Å; D99-I101 PolarHBondContact O-N 2.76Å; D99-N102 PolarHBondContact O-N 3.37Å; D99-I103 VanDerWaalsContact O-CD1 3.31Å; D99-I103 WeakPolarHBondContact O-CD1 3.45Å; D99-I103 VanDerWaalsContact O-CG1 3.23Å; D99-I103 WeakPolarHBondContact O-CG1 3.41Å; D99-I103 PolarHBondContact O-N 3.45Å; D99-W126 HydrophobicContact CB-CH2 3.36Å; D99-W126 HydrophobicContact CB-CZ2 3.96Å; D99-W126 HydrophobicContact CB-CZ3 3.77Å; D99-W126 WeakPolarHBondContact OD1-CH2 3.38Å
100	F	90.7	Very high	81.7	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-47.8	173	-170	-128.6	0	0	0	112.2	F61 T96 I97 T98 N102 I103 L104 L118 V255 I256 A259	F61-F100 HydrophobicContact CB-CD2 4.43Å; F61-F100 HydrophobicContact CD1-CB 3.88Å; F61-F100 HydrophobicContact CD1-CD2 4.13Å; F61-F100 HydrophobicContact CD1-CG 4.15Å; F61-F100 HydrophobicContact CD2-CB 4.42Å; F61-F100 AromaticContact CD2-CD2 3.42Å; F61-F100 HydrophobicContact CD2-CD2 3.42Å; F61-F100 VanDerWaalsContact CD2-CD2 3.42Å; F61-F100 HydrophobicContact CD2-CE2 4.04Å; F61-F100 HydrophobicContact CD2-CG 4.23Å; F61-F100 HydrophobicContact CE1-CB 3.5Å; F61-F100 HydrophobicContact CE1-CD2 4.31Å; F61-F100 HydrophobicContact CE1-CG 4.22Å; F61-F100 HydrophobicContact CE2-CB 4Å; F61-F100 AromaticContact CE2-CD2 3.54Å; F61-F100 HydrophobicContact CE2-CD2 3.54Å; F61-F100 HydrophobicContact CE2-CE2 4.5Å; F61-F100 HydrophobicContact CE2-CG 4.21Å; F61-F100 HydrophobicContact CG-CB 4.37Å; F61-F100 AromaticContact CG-CD2 3.73Å; F61-F100 HydrophobicContact CG-CD2 3.73Å; F61-F100 HydrophobicContact CG-CE2 4.34Å; F61-F100 HydrophobicContact CG-CG 4.21Å; F61-F100 VanDerWaalsContact CZ-CA 3.48Å; F61-F100 HydrophobicContact CZ-CB 3.56Å; F61-F100 HydrophobicContact CZ-CD2 4.03Å; F61-F100 HydrophobicContact CZ-CG 4.24Å; T96-F100 PolarHBondContact O-N 3.35Å; I97-F100 WeakPolarHBondContact O-CB 3.25Å; I97-F100 PolarHBondContact O-N 2.94Å; T98-F100 VanDerWaalsContact C-N 3.33Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 3.25Å; F100-I103 PolarHBondContact O-N 3.01Å; F100-L104 HydrophobicContact CD1-CD1 3.98Å; F100-L104 HydrophobicContact CD2-CG 4.35Å; F100-L104 HydrophobicContact CE1-CD1 3.54Å; F100-L104 HydrophobicContact CE1-CG 4.28Å; F100-L104 HydrophobicContact CE2-CD1 4.2Å; F100-L104 HydrophobicContact CE2-CD2 4.1Å; F100-L104 HydrophobicContact CE2-CG 4.06Å; F100-L104 HydrophobicContact CG-CD1 4.48Å; F100-L104 HydrophobicContact CZ-CD1 3.65Å; F100-L104 HydrophobicContact CZ-CD2 4.09Å; F100-L104 HydrophobicContact CZ-CG 4.02Å; F100-L104 WeakPolarHBondContact O-CG 3.3Å; F100-L104 PolarHBondContact O-N 3Å; F100-L118 HydrophobicContact CD2-CD1 4.48Å; F100-L118 HydrophobicContact CE2-CD1 4.26Å; F100-L118 HydrophobicContact CE2-CD2 4.16Å; F100-V255 HydrophobicContact CD1-CG1 4.02Å; F100-V255 HydrophobicContact CE1-CG1 4.21Å; F100-V255 WeakPolarHBondContact CE1-O 3.42Å; F100-I256 HydrophobicContact CD1-CD1 3.92Å; F100-I256 HydrophobicContact CE1-CD1 4.41Å; F100-I256 HydrophobicContact CG-CD1 4.26Å; F100-A259 HydrophobicContact CE1-CB 4.01Å; F100-A259 HydrophobicContact CE2-CB 4.41Å; F100-A259 HydrophobicContact CZ-CB 3.73Å
101	I	91.9	Very high	83.7	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-44.7	176.8	-70.1	161.8	0	0	0	110.9	I97 T98 D99 I103 L104 H105 L226 F229 V230 K252 V255	I97-I101 HydrophobicContact CG2-CD1 4.48Å; I97-I101 WeakPolarHBondContact O-CG1 3.03Å; I97-I101 PolarHBondContact O-N 3.45Å; T98-I101 PolarHBondContact O-N 2.92Å; D99-I101 PolarHBondContact O-N 2.76Å; I101-I103 VanDerWaalsContact C-N 3.34Å; I101-I103 PolarHBondContact O-N 2.87Å; I101-L104 PolarHBondContact O-N 3.15Å; I101-H105 VanDerWaalsContact O-CB 3.32Å; I101-H105 WeakPolarHBondContact O-CB 3.42Å; I101-H105 PolarHBondContact O-N 3.27Å; I101-L226 HydrophobicContact CB-CD2 4.4Å; I101-L226 HydrophobicContact CG1-CD2 4Å; I101-L226 HydrophobicContact CG2-CB 4.28Å; I101-L226 HydrophobicContact CG2-CD2 3.98Å; I101-F229 HydrophobicContact CD1-CD2 4.3Å; I101-F229 HydrophobicContact CG2-CB 4Å; I101-V230 HydrophobicContact CG2-CG2 4.04Å; I101-K252 HydrophobicContact CD1-CB 3.81Å; I101-K252 HydrophobicContact CD1-CD 3.84Å; I101-K252 HydrophobicContact CD1-CG 3.48Å; I101-K252 VanDerWaalsContact CD1-CG 3.48Å; I101-V255 HydrophobicContact CD1-CB 4.4Å; I101-V255 HydrophobicContact CD1-CG2 4.11Å; I101-V255 HydrophobicContact CG1-CB 4.07Å; I101-V255 HydrophobicContact CG1-CG1 3.77Å; I101-V255 HydrophobicContact CG1-CG2 4.05Å
102	N	90.6	Very high	85.5	Confident	14 Å²	14	37.2 Å²	37.2	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-40.7	179.2	-67.9	-25	0	0	0	111.9	T98 D99 F100 R106 W126 Y130	T98-N102 PolarHBondContact O-N 3.21Å; T98-N102 PolarHBondContact O-ND2 2.81Å; D99-N102 PolarHBondContact O-N 3.37Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 3.25Å; N102-R106 WeakPolarHBondContact O-CB 3.38Å; N102-R106 PolarHBondContact O-N 2.96Å; N102-W126 HydrophobicContact CB-CZ2 4.5Å; N102-Y130 HydrophobicContact CB-CE2 4.1Å; N102-Y130 PolarHBondContact ND2-OH 3.48Å; N102-Y130 VanDerWaalsContact ND2-OH 3.1Å
103	I	90.2	Very high	86.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-51.1	177.9	-66.6	156.1	0	0	0	110.3	V57 F61 D99 F100 I101 H105 R106 Y107 L118 W126	V57-I103 HydrophobicContact CG1-CD1 3.64Å; F61-I103 HydrophobicContact CE2-CD1 3.63Å; F61-I103 HydrophobicContact CZ-CD1 3.94Å; D99-I103 VanDerWaalsContact O-CD1 3.31Å; D99-I103 WeakPolarHBondContact O-CD1 3.45Å; D99-I103 VanDerWaalsContact O-CG1 3.23Å; D99-I103 WeakPolarHBondContact O-CG1 3.41Å; D99-I103 PolarHBondContact O-N 3.45Å; F100-I103 PolarHBondContact O-N 3.01Å; I101-I103 VanDerWaalsContact C-N 3.34Å; I101-I103 PolarHBondContact O-N 2.87Å; I103-H105 PolarHBondContact O-N 3.1Å; I103-R106 PolarHBondContact O-N 2.87Å; I103-Y107 HydrophobicContact CG2-CD2 3.93Å; I103-Y107 HydrophobicContact CG2-CE2 4.36Å; I103-Y107 WeakPolarHBondContact O-CD2 3.18Å; I103-Y107 PolarHBondContact O-N 3.26Å; I103-Y107 VanDerWaalsContact O-N 3.09Å; I103-L118 HydrophobicContact CG2-CB 4.27Å; I103-L118 HydrophobicContact CG2-CD1 3.6Å; I103-L118 HydrophobicContact CG2-CG 4.49Å; I103-W126 HydrophobicContact CD1-CD2 3.87Å; I103-W126 HydrophobicContact CD1-CG 4.05Å; I103-W126 HydrophobicContact CD1-CZ2 4.33Å; I103-W126 VanDerWaalsContact CG1-CD1 3.47Å; I103-W126 HydrophobicContact CG1-CD2 4.05Å; I103-W126 VanDerWaalsContact CG1-CE2 3.49Å; I103-W126 HydrophobicContact CG1-CG 4.05Å; I103-W126 HydrophobicContact CG1-CZ2 4.14Å
104	L	90.8	Very high	87.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-50.4	178.6	-69.9	-177.6	0	0	0	111	F100 I101 R106 Y108 I115 L118 L226 V255 L267	F100-L104 HydrophobicContact CD1-CD1 3.98Å; F100-L104 HydrophobicContact CD2-CG 4.35Å; F100-L104 HydrophobicContact CE1-CD1 3.54Å; F100-L104 HydrophobicContact CE1-CG 4.28Å; F100-L104 HydrophobicContact CE2-CD1 4.2Å; F100-L104 HydrophobicContact CE2-CD2 4.1Å; F100-L104 HydrophobicContact CE2-CG 4.06Å; F100-L104 HydrophobicContact CG-CD1 4.48Å; F100-L104 HydrophobicContact CZ-CD1 3.65Å; F100-L104 HydrophobicContact CZ-CD2 4.09Å; F100-L104 HydrophobicContact CZ-CG 4.02Å; F100-L104 WeakPolarHBondContact O-CG 3.3Å; F100-L104 PolarHBondContact O-N 3Å; I101-L104 PolarHBondContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.31Å; L104-R106 PolarHBondContact O-N 2.77Å; L104-Y108 WeakPolarHBondContact O-CB 3.23Å; L104-Y108 PolarHBondContact O-N 2.69Å; L104-I115 HydrophobicContact CD2-CD1 3.71Å; L104-L118 HydrophobicContact CD2-CD2 4.2Å; L104-L226 HydrophobicContact CB-CD1 3.79Å; L104-L226 HydrophobicContact CD1-CD1 4.16Å; L104-V255 HydrophobicContact CD1-CG1 4.11Å; L104-L267 HydrophobicContact CB-CD1 4.1Å
105	H	91.1	Very high	87.1	Confident	50 Å²	50	43.3 Å²	43.3	23%	0.231	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-33.1	-179.1	-177	-102	0	0	0	113.2	I101 I103 Y223 L226 G227 V230	I101-H105 VanDerWaalsContact O-CB 3.32Å; I101-H105 WeakPolarHBondContact O-CB 3.42Å; I101-H105 PolarHBondContact O-N 3.27Å; I103-H105 PolarHBondContact O-N 3.1Å; H105-Y223 AromaticContact CD2-CE2 3.75Å; H105-L226 HydrophobicContact CB-CB 4.26Å; H105-G227 VanDerWaalsContact CD2-CA 3.43Å; H105-G227 WeakPolarHBondContact CD2-CA 3.32Å; H105-G227 PolarHBondContact CD2-N 3.07Å; H105-G227 VanDerWaalsContact NE2-CA 3.27Å; H105-G227 WeakPolarHBondContact NE2-CA 3.47Å; H105-V230 HydrophobicContact CB-CG2 4.05Å
106	R	89.5	Confident	86.7	Confident	118 Å²	118	50.3 Å²	50.3	45%	0.445	25%	0.247	S	C	.	.	H	α-helix	trans	-73.8	-41.2	-179	-173.7	172.4	-174	115.5	-5.1	113	N102 I103 L104	N102-R106 WeakPolarHBondContact O-CB 3.38Å; N102-R106 PolarHBondContact O-N 2.96Å; I103-R106 PolarHBondContact O-N 2.87Å; L104-R106 VanDerWaalsContact C-N 3.31Å; L104-R106 PolarHBondContact O-N 2.77Å
107	Y	88.3	Confident	86.3	Confident	32 Å²	32	52.3 Å²	52.3	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-103.7	-13.2	-171.5	-62.7	-70.2	0	0	0	114.1	I103 K109 I115 E117 H121	I103-Y107 HydrophobicContact CG2-CD2 3.93Å; I103-Y107 HydrophobicContact CG2-CE2 4.36Å; I103-Y107 WeakPolarHBondContact O-CD2 3.18Å; I103-Y107 PolarHBondContact O-N 3.26Å; I103-Y107 VanDerWaalsContact O-N 3.09Å; Y107-K109 PolarHBondContact O-N 2.99Å; Y107-I115 VanDerWaalsContact CB-CG2 3.5Å; Y107-I115 HydrophobicContact CG-CG2 4.45Å; Y107-E117 HydrophobicContact CD1-CB 3.76Å; Y107-E117 HydrophobicContact CD1-CG 3.56Å; Y107-E117 WeakPolarHBondContact CD1-OE1 3.41Å; Y107-E117 HydrophobicContact CD2-CB 4.01Å; Y107-E117 HydrophobicContact CE1-CB 3.83Å; Y107-E117 HydrophobicContact CE1-CG 3.56Å; Y107-E117 HydrophobicContact CE2-CB 4.06Å; Y107-E117 HydrophobicContact CG-CB 3.87Å; Y107-E117 HydrophobicContact CG-CG 4.17Å; Y107-H121 AromaticContact CZ-CE1 3.99Å; Y107-H121 PolarHBondContact OH-CE1 2.9Å
108	Y	88.1	Confident	85.8	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.035	25%	0.251	C	S	.	.			trans	-62.6	126	174.5	-174.4	-102.7	0	0	0	111.2	L104 A111 I115 Y223 L267 D268	L104-Y108 WeakPolarHBondContact O-CB 3.23Å; L104-Y108 PolarHBondContact O-N 2.69Å; Y108-A111 PolarHBondContact OH-N 3.14Å; Y108-I115 HydrophobicContact CD2-CD1 4.36Å; Y108-Y223 AromaticContact CD1-CD2 3.29Å; Y108-Y223 HydrophobicContact CD1-CD2 3.29Å; Y108-Y223 AromaticContact CD1-CE2 3.71Å; Y108-Y223 HydrophobicContact CD1-CE2 3.71Å; Y108-Y223 AromaticContact CD1-CG 3.78Å; Y108-Y223 HydrophobicContact CD1-CG 3.78Å; Y108-Y223 HydrophobicContact CE1-CD2 4.04Å; Y108-Y223 HydrophobicContact CE1-CG 4.06Å; Y108-Y223 AromaticContact CG-CD2 3.96Å; Y108-Y223 HydrophobicContact CG-CD2 3.96Å; Y108-Y223 HydrophobicContact CG-CE2 4.32Å; Y108-L267 HydrophobicContact CD1-CB 4.36Å; Y108-L267 HydrophobicContact CD1-CD1 4.35Å; Y108-L267 HydrophobicContact CD2-CB 4Å; Y108-L267 HydrophobicContact CD2-CD1 3.47Å; Y108-L267 VanDerWaalsContact CD2-CD1 3.47Å; Y108-L267 HydrophobicContact CD2-CG 3.66Å; Y108-L267 HydrophobicContact CE1-CB 4.02Å; Y108-L267 HydrophobicContact CE2-CB 3.65Å; Y108-L267 HydrophobicContact CE2-CD1 4Å; Y108-L267 HydrophobicContact CE2-CG 3.64Å; Y108-L267 HydrophobicContact CG-CB 4.32Å; Y108-L267 HydrophobicContact CG-CD1 3.65Å; Y108-L267 HydrophobicContact CG-CG 4.22Å; Y108-L267 PolarHBondContact OH-N 2.99Å; Y108-D268 WeakPolarHBondContact CE1-OD1 3.17Å; Y108-D268 PolarHBondContact OH-N 2.9Å; Y108-D268 PolarHBondContact OH-OD1 2.91Å; Y108-D268 PolarHBondContact OH-OD2 2.9Å
109	K	84	Confident	85.3	Confident	163 Å²	163	51.8 Å²	51.8	71%	0.709	25%	0.249	S	C	*	.			trans	-115.6	-51.1	174.7	-58.9	-57.7	179.5	-167.8	0	111.5	Y107	Y107-K109 PolarHBondContact O-N 2.99Å
110	S	82.5	Confident	85.1	Confident	42 Å²	42	57.6 Å²	57.6	29%	0.294	28%	0.275	S	S	.	.			trans	-163.2	154.5	-177.7	173.1	0	0	0	0	109.7	L112 V113	S110-L112 PolarHBondContact O-N 3.01Å; S110-L112 VanDerWaalsContact O-N 3.08Å; S110-L112 PolarHBondContact OG-N 3.18Å; S110-V113 PolarHBondContact O-N 3.15Å; S110-V113 VanDerWaalsContact O-N 3.12Å
111	A	80.3	Confident	84.9	Confident	35 Å²	35	59.8 Å²	59.8	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.3	174.2	0	0	0	0	0	115.1	Y108 N265 N266	Y108-A111 PolarHBondContact OH-N 3.14Å; A111-N265 WeakPolarHBondContact CA-O 3.36Å; A111-N266 HydrophobicContact CB-CB 4.23Å
112	L	77.4	Confident	84.8	Confident	163 Å²	163	64.5 Å²	64.5	85%	0.853	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.8	179.6	-61	177.4	0	0	0	113.7	S110	S110-L112 PolarHBondContact O-N 3.01Å; S110-L112 VanDerWaalsContact O-N 3.08Å; S110-L112 PolarHBondContact OG-N 3.18Å
113	V	81.4	Confident	84.7	Confident	71 Å²	71	63.8 Å²	63.8	43%	0.43	30%	0.302	S	S	.	.	S	Bend	trans	-113.1	122.9	-175.8	-176.8	0	0	0	0	108.7	S110 Y116	S110-V113 PolarHBondContact O-N 3.15Å; S110-V113 VanDerWaalsContact O-N 3.12Å; V113-Y116 HydrophobicContact CG1-CE2 4.21Å
114	Q	79.4	Confident	84.5	Confident	97 Å²	97	65.6 Å²	65.6	45%	0.453	31%	0.31	S	S	.	.			trans	-65.9	145.5	174.6	-66.2	-178.3	6	0	0	110.2	Y116	Q114-Y116 VanDerWaalsContact C-N 3.26Å; Q114-Y116 HydrophobicContact CB-CE1 4.42Å; Q114-Y116 HydrophobicContact CB-CE2 4.5Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.35Å; Q114-Y116 PolarHBondContact O-N 3.05Å
115	I	83.5	Confident	84.3	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	33%	0.326	C	S	.	.			trans	-80.5	78.8	176.4	-50.8	178.2	0	0	0	108.2	L104 Y107 Y108 E117 L118	L104-I115 HydrophobicContact CD2-CD1 3.71Å; Y107-I115 VanDerWaalsContact CB-CG2 3.5Å; Y107-I115 HydrophobicContact CG-CG2 4.45Å; Y108-I115 HydrophobicContact CD2-CD1 4.36Å; I115-E117 PolarHBondContact O-N 3.42Å; I115-L118 HydrophobicContact CB-CB 4.16Å; I115-L118 HydrophobicContact CG2-CB 3.72Å; I115-L118 WeakPolarHBondContact O-CB 3.2Å; I115-L118 PolarHBondContact O-N 2.8Å; I115-L118 VanDerWaalsContact O-N 3.08Å
116	Y	81.3	Confident	84	Confident	146 Å²	146	65.9 Å²	65.9	57%	0.573	32%	0.315	S	S	*	.	H	α-helix	trans	-55.6	-37.8	-176.3	-65.4	-76.2	0	0	0	112.3	V113 Q114 L118 E119 E120	V113-Y116 HydrophobicContact CG1-CE2 4.21Å; Q114-Y116 VanDerWaalsContact C-N 3.26Å; Q114-Y116 HydrophobicContact CB-CE1 4.42Å; Q114-Y116 HydrophobicContact CB-CE2 4.5Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.35Å; Q114-Y116 PolarHBondContact O-N 3.05Å; Y116-L118 VanDerWaalsContact C-N 3.27Å; Y116-L118 PolarHBondContact O-N 3.49Å; Y116-E119 PolarHBondContact O-N 3.21Å; Y116-E120 PolarHBondContact O-N 2.98Å
117	E	81.4	Confident	83.6	Confident	69 Å²	69	61.2 Å²	61.2	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-30.3	-179.3	-60.5	91.7	155.3	0	0	112.4	Y107 I115 E119 H121	Y107-E117 HydrophobicContact CD1-CB 3.76Å; Y107-E117 HydrophobicContact CD1-CG 3.56Å; Y107-E117 WeakPolarHBondContact CD1-OE1 3.41Å; Y107-E117 HydrophobicContact CD2-CB 4.01Å; Y107-E117 HydrophobicContact CE1-CB 3.83Å; Y107-E117 HydrophobicContact CE1-CG 3.56Å; Y107-E117 HydrophobicContact CE2-CB 4.06Å; Y107-E117 HydrophobicContact CG-CB 3.87Å; Y107-E117 HydrophobicContact CG-CG 4.17Å; I115-E117 PolarHBondContact O-N 3.42Å; E117-E119 VanDerWaalsContact C-N 3.31Å; E117-H121 WeakPolarHBondContact O-CB 3.03Å; E117-H121 PolarHBondContact O-N 3.31Å
118	L	80.8	Confident	83.3	Confident	2 Å²	2	65 Å²	65	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-70.4	-31.9	175	179.8	68.7	0	0	0	111.4	V57 K58 F61 F100 I103 L104 I115 Y116 Y264	V57-L118 HydrophobicContact CG1-CD1 3.72Å; K58-L118 WeakPolarHBondContact CB-O 3.39Å; K58-L118 PolarHBondContact N-O 2.75Å; F61-L118 HydrophobicContact CD2-CD1 4.37Å; F61-L118 HydrophobicContact CE2-CD1 4.46Å; F100-L118 HydrophobicContact CD2-CD1 4.48Å; F100-L118 HydrophobicContact CE2-CD1 4.26Å; F100-L118 HydrophobicContact CE2-CD2 4.16Å; I103-L118 HydrophobicContact CG2-CB 4.27Å; I103-L118 HydrophobicContact CG2-CD1 3.6Å; I103-L118 HydrophobicContact CG2-CG 4.49Å; L104-L118 HydrophobicContact CD2-CD2 4.2Å; I115-L118 HydrophobicContact CB-CB 4.16Å; I115-L118 HydrophobicContact CG2-CB 3.72Å; I115-L118 WeakPolarHBondContact O-CB 3.2Å; I115-L118 PolarHBondContact O-N 2.8Å; I115-L118 VanDerWaalsContact O-N 3.08Å; Y116-L118 VanDerWaalsContact C-N 3.27Å; Y116-L118 PolarHBondContact O-N 3.49Å; L118-Y264 HydrophobicContact CD2-CD2 3.76Å; L118-Y264 HydrophobicContact CD2-CE2 3.69Å; L118-Y264 HydrophobicContact CD2-CG 4.38Å
119	E	78.1	Confident	82.9	Confident	50 Å²	50	66.6 Å²	66.6	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-80	-42.3	-178.2	-50.8	-135.9	153.5	0	0	112	K58 Y116 E117 Y264	K58-E119 HydrophobicContact CD-CB 4.36Å; K58-E119 HydrophobicContact CD-CG 4.1Å; K58-E119 IonicContact NZ-OE1 2.6Å; K58-E119 PolarHBondContact NZ-OE1 2.99Å; K58-E119 IonicContact NZ-OE2 3.28Å; K58-E119 PolarHBondContact NZ-OE2 3.46Å; Y116-E119 PolarHBondContact O-N 3.21Å; E117-E119 VanDerWaalsContact C-N 3.31Å; E119-Y264 PolarHBondContact OE1-OH 3.43Å
120	E	85.1	Confident	82.5	Confident	140 Å²	140	61.8 Å²	61.8	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-87.2	-33.6	-174.1	-67.8	-59	134.4	0	0	113.5	Y116	Y116-E120 PolarHBondContact O-N 2.98Å
121	H	86.8	Confident	81.9	Confident	47 Å²	47	61.8 Å²	61.8	22%	0.218	30%	0.301	C	S	.	.			trans	-65.5	142.8	-175.3	-74	-178.1	0	0	0	113	Q56 V57 Y107 E117	Q56-H121 WeakPolarHBondContact CA-O 3.28Å; V57-H121 HydrophobicContact CG2-CB 4.19Å; V57-H121 WeakPolarHBondContact CG2-O 3.07Å; V57-H121 PolarHBondContact N-O 3.03Å; Y107-H121 AromaticContact CZ-CE1 3.99Å; Y107-H121 PolarHBondContact OH-CE1 2.9Å; E117-H121 WeakPolarHBondContact O-CB 3.03Å; E117-H121 PolarHBondContact O-N 3.31Å
122	K	89.8	Confident	81.2	Confident	100 Å²	100	67.5 Å²	67.5	44%	0.435	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-87.9	161.5	163.3	-61.6	179	177.5	-177.9	0	109.9	S54 L55 V57 E124 T125 W126	S54-K122 WeakPolarHBondContact O-CD 3.47Å; S54-K122 WeakPolarHBondContact O-CG 3.1Å; L55-K122 WeakPolarHBondContact O-CA 3.44Å; V57-K122 VanDerWaalsContact CG2-C 3.47Å; V57-K122 WeakPolarHBondContact CG2-O 3.35Å; K122-E124 VanDerWaalsContact C-N 3.28Å; K122-E124 PolarHBondContact O-N 2.95Å; K122-T125 PolarHBondContact N-OG1 3.05Å; K122-T125 PolarHBondContact O-N 3.34Å; K122-T125 PolarHBondContact O-OG1 3.36Å; K122-W126 PolarHBondContact O-N 3.41Å
123	I	88.8	Confident	80.3	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-42.8	177.2	-63.4	166.4	0	0	0	110.5	F51 T53 L55 V57 A60 L74 L95 W126 R127	F51-I123 HydrophobicContact CB-CD1 3.94Å; T53-I123 WeakPolarHBondContact O-CB 3.37Å; T53-I123 PolarHBondContact O-N 3.1Å; L55-I123 HydrophobicContact CB-CD1 4.09Å; L55-I123 WeakPolarHBondContact O-CG1 3.49Å; L55-I123 PolarHBondContact O-N 3.19Å; V57-I123 HydrophobicContact CG2-CG1 4.25Å; A60-I123 HydrophobicContact CB-CD1 3.81Å; A60-I123 HydrophobicContact CB-CG1 4.31Å; L74-I123 HydrophobicContact CD1-CG2 3.58Å; L74-I123 HydrophobicContact CD2-CD1 3.88Å; L74-I123 HydrophobicContact CD2-CG2 3.87Å; L74-I123 HydrophobicContact CG-CG2 4.36Å; L95-I123 HydrophobicContact CD2-CD1 4.17Å; L95-I123 HydrophobicContact CD2-CG1 4.5Å; I123-W126 PolarHBondContact O-N 3.1Å; I123-R127 HydrophobicContact CG2-CG 4.34Å; I123-R127 WeakPolarHBondContact O-CB 3.07Å; I123-R127 WeakPolarHBondContact O-CG 3.12Å; I123-R127 PolarHBondContact O-N 3.1Å
124	E	86.4	Confident	79.3	Confident	40 Å²	40	64.7 Å²	64.7	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-55.4	176.6	-169.1	175.8	-148.1	0	0	111.2	T53 K78 K122 W126 R127 E128	T53-E124 PolarHBondContact O-N 3.24Å; K78-E124 IonicContact NZ-OE1 2.75Å; K78-E124 PolarHBondContact NZ-OE1 3.08Å; K78-E124 IonicContact NZ-OE2 3.01Å; K78-E124 PolarHBondContact NZ-OE2 3.17Å; K122-E124 VanDerWaalsContact C-N 3.28Å; K122-E124 PolarHBondContact O-N 2.95Å; E124-W126 VanDerWaalsContact C-N 3.35Å; E124-W126 PolarHBondContact O-N 3.28Å; E124-R127 PolarHBondContact O-N 2.63Å; E124-R127 VanDerWaalsContact O-N 3.16Å; E124-E128 WeakPolarHBondContact O-CG 3.34Å; E124-E128 PolarHBondContact O-N 2.96Å
125	T	87.4	Confident	78.3	Confident	52 Å²	52	65.7 Å²	65.7	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-39.1	-177.6	52.2	0	0	0	0	112.6	K122 V129	K122-T125 PolarHBondContact N-OG1 3.05Å; K122-T125 PolarHBondContact O-N 3.34Å; K122-T125 PolarHBondContact O-OG1 3.36Å; T125-V129 WeakPolarHBondContact O-CG2 3.35Å; T125-V129 PolarHBondContact O-N 3.29Å
126	W	84.6	Confident	77.5	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-67.5	-42	176.7	170.4	70.6	0	0	0	111.7	V57 L95 D99 N102 I103 K122 I123 E124 E128 V129 Y130	V57-W126 HydrophobicContact CG2-CB 4.16Å; L95-W126 HydrophobicContact CD1-CZ3 4.48Å; D99-W126 HydrophobicContact CB-CH2 3.36Å; D99-W126 HydrophobicContact CB-CZ2 3.96Å; D99-W126 HydrophobicContact CB-CZ3 3.77Å; D99-W126 WeakPolarHBondContact OD1-CH2 3.38Å; N102-W126 HydrophobicContact CB-CZ2 4.5Å; I103-W126 HydrophobicContact CD1-CD2 3.87Å; I103-W126 HydrophobicContact CD1-CG 4.05Å; I103-W126 HydrophobicContact CD1-CZ2 4.33Å; I103-W126 VanDerWaalsContact CG1-CD1 3.47Å; I103-W126 HydrophobicContact CG1-CD2 4.05Å; I103-W126 VanDerWaalsContact CG1-CE2 3.49Å; I103-W126 HydrophobicContact CG1-CG 4.05Å; I103-W126 HydrophobicContact CG1-CZ2 4.14Å; K122-W126 PolarHBondContact O-N 3.41Å; I123-W126 PolarHBondContact O-N 3.1Å; E124-W126 VanDerWaalsContact C-N 3.35Å; E124-W126 PolarHBondContact O-N 3.28Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 2.7Å; W126-V129 PolarHBondContact O-N 2.95Å; W126-Y130 HydrophobicContact CH2-CD1 4.2Å; W126-Y130 HydrophobicContact CH2-CG 4.26Å; W126-Y130 HydrophobicContact CZ2-CD1 4.21Å; W126-Y130 HydrophobicContact CZ2-CD2 4.12Å; W126-Y130 AromaticContact CZ2-CG 3.83Å; W126-Y130 HydrophobicContact CZ2-CG 3.83Å; W126-Y130 WeakPolarHBondContact O-CB 3.49Å; W126-Y130 PolarHBondContact O-N 3.46Å
127	R	80.8	Confident	76.9	Confident	19 Å²	19	65.8 Å²	65.8	7%	0.072	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-39.1	178.2	-77.7	-173.6	73.7	89.7	1.7	111.7	P91 G93 I123 E124 Y130 L131	P91-R127 PolarHBondContact O-NH2 2.68Å; G93-R127 VanDerWaalsContact N-NH2 3.11Å; I123-R127 HydrophobicContact CG2-CG 4.34Å; I123-R127 WeakPolarHBondContact O-CB 3.07Å; I123-R127 WeakPolarHBondContact O-CG 3.12Å; I123-R127 PolarHBondContact O-N 3.1Å; E124-R127 PolarHBondContact O-N 2.63Å; E124-R127 VanDerWaalsContact O-N 3.16Å; R127-Y130 PolarHBondContact O-N 3.21Å; R127-L131 HydrophobicContact CB-CD1 4Å; R127-L131 WeakPolarHBondContact O-CB 3.48Å; R127-L131 WeakPolarHBondContact O-CG 3.25Å; R127-L131 PolarHBondContact O-N 2.73Å
128	E	80.8	Confident	76.6	Confident	111 Å²	111	64.2 Å²	64.2	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-48.6	175	-74	174.9	177.1	0	0	111.3	E124 W126 Y130 Q132	E124-E128 WeakPolarHBondContact O-CG 3.34Å; E124-E128 PolarHBondContact O-N 2.96Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 2.7Å; E128-Y130 VanDerWaalsContact C-N 3.32Å; E128-Y130 PolarHBondContact O-N 3.4Å; E128-Q132 VanDerWaalsContact O-CG 3.25Å; E128-Q132 WeakPolarHBondContact O-CG 3.3Å; E128-Q132 PolarHBondContact O-N 3.38Å; E128-Q132 VanDerWaalsContact O-N 3.11Å
129	V	80.9	Confident	76.8	Confident	44 Å²	44	65.6 Å²	65.6	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-37.9	177.7	174.8	0	0	0	0	112.3	T125 W126	T125-V129 WeakPolarHBondContact O-CG2 3.35Å; T125-V129 PolarHBondContact O-N 3.29Å; W126-V129 PolarHBondContact O-N 2.95Å
130	Y	75.6	Confident	77.3	Confident	62 Å²	62	66.3 Å²	66.3	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-82.5	-34.1	-177.2	-175.1	-98.4	0	0	0	113.7	N102 W126 R127 E128	N102-Y130 HydrophobicContact CB-CE2 4.1Å; N102-Y130 PolarHBondContact ND2-OH 3.48Å; N102-Y130 VanDerWaalsContact ND2-OH 3.1Å; W126-Y130 HydrophobicContact CH2-CD1 4.2Å; W126-Y130 HydrophobicContact CH2-CG 4.26Å; W126-Y130 HydrophobicContact CZ2-CD1 4.21Å; W126-Y130 HydrophobicContact CZ2-CD2 4.12Å; W126-Y130 AromaticContact CZ2-CG 3.83Å; W126-Y130 HydrophobicContact CZ2-CG 3.83Å; W126-Y130 WeakPolarHBondContact O-CB 3.49Å; W126-Y130 PolarHBondContact O-N 3.46Å; R127-Y130 PolarHBondContact O-N 3.21Å; E128-Y130 VanDerWaalsContact C-N 3.32Å; E128-Y130 PolarHBondContact O-N 3.4Å
131	L	70.1	Confident	77.7	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-88.1	-9.6	-177.4	-64.5	168.3	0	0	0	113.2	R127 D133 S134	R127-L131 HydrophobicContact CB-CD1 4Å; R127-L131 WeakPolarHBondContact O-CB 3.48Å; R127-L131 WeakPolarHBondContact O-CG 3.25Å; R127-L131 PolarHBondContact O-N 2.73Å; L131-D133 PolarHBondContact O-N 3.31Å; L131-S134 WeakPolarHBondContact CD2-O 3.46Å; L131-S134 CarbonylContact O-C 3.6Å; L131-S134 VanDerWaalsContact O-C 3.29Å; L131-S134 PolarHBondContact O-N 3.05Å; L131-S134 VanDerWaalsContact O-N 3.09Å
132	Q	64.2	Low	78	Confident	156 Å²	156	60 Å²	60	73%	0.729	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.5	168	-89.9	172.3	3	0	0	111.8	E128	E128-Q132 VanDerWaalsContact O-CG 3.25Å; E128-Q132 WeakPolarHBondContact O-CG 3.3Å; E128-Q132 PolarHBondContact O-N 3.38Å; E128-Q132 VanDerWaalsContact O-N 3.11Å
133	D	59.4	Low	78.2	Confident	131 Å²	131	55.6 Å²	55.6	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.3	-179.2	-62.9	-32	0	0	0	113.6	L131	L131-D133 PolarHBondContact O-N 3.31Å
134	S	59.6	Low	78.5	Confident	43 Å²	43	59.9 Å²	59.9	30%	0.301	31%	0.313	S	S	.	.			trans	-163.8	122.3	176.7	59.5	0	0	0	0	113.1	L131 K136	L131-S134 WeakPolarHBondContact CD2-O 3.46Å; L131-S134 CarbonylContact O-C 3.6Å; L131-S134 VanDerWaalsContact O-C 3.29Å; L131-S134 PolarHBondContact O-N 3.05Å; L131-S134 VanDerWaalsContact O-N 3.09Å; S134-K136 PolarHBondContact O-N 3.49Å
135	F	59.4	Low	79	Confident	118 Å²	118	59.1 Å²	59.1	52%	0.518	31%	0.314	S	S	.	.			trans	-75	119.2	169.8	-171	-89.7	0	0	0	110	S89 P91 P137	S89-F135 VanDerWaalsContact CB-CE1 3.49Å; S89-F135 WeakPolarHBondContact OG-CE1 3.19Å; P91-F135 HydrophobicContact CB-CE2 3.72Å; P91-F135 HydrophobicContact CB-CZ 4.08Å; P91-F135 HydrophobicContact CG-CE2 4.32Å; P91-F135 HydrophobicContact CG-CZ 4.48Å; F135-P137 HydrophobicContact CE1-CB 3.97Å; F135-P137 HydrophobicContact CE1-CG 4.31Å
136	K	66.1	Low	79.4	Confident	92 Å²	92	57.6 Å²	57.6	40%	0.4	31%	0.305	S	S	.	.			trans	-124.7	104.2	175.3	-68.1	-177.2	-173.7	172.6	0	109.3	S134	S134-K136 PolarHBondContact O-N 3.49Å
137	P	67.9	Low	79.9	Confident	60 Å²	60	57.4 Å²	57.4	39%	0.39	30%	0.304	S	S	.	.			trans	-65.4	146.6	179	26.1	-31.2	0	0	0	110.3	C90 F135 V139	C90-P137 CarbonylContact O-C 3.47Å; C90-P137 WeakPolarHBondContact O-CA 3.44Å; F135-P137 HydrophobicContact CE1-CB 3.97Å; F135-P137 HydrophobicContact CE1-CG 4.31Å; P137-V139 PolarHBondContact O-N 3.49Å
138	L	75.4	Confident	80.5	Confident	37 Å²	37	58.5 Å²	58.5	19%	0.194	31%	0.31	C	S	.	.			trans	-61.3	135.5	168.4	177.6	67.2	0	0	0	109.8	C90 L92 M94 P163	C90-L138 HydrophobicContact CB-CB 4.11Å; C90-L138 PolarHBondContact O-N 3.08Å; L92-L138 WeakPolarHBondContact O-CB 3.43Å; L92-L138 WeakPolarHBondContact O-CD2 3.48Å; M94-L138 HydrophobicContact CG-CD1 4.13Å; L138-P163 HydrophobicContact CD1-CG 3.93Å; L138-P163 HydrophobicContact CD2-CG 4.39Å; L138-P163 HydrophobicContact CG-CG 4.42Å
139	V	85.8	Confident	81.2	Confident	31 Å²	31	57 Å²	57	19%	0.188	31%	0.305	C	S	.	.			trans	-104.3	120.1	172.2	-177.1	0	0	0	0	106.8	P137 S153 N157 I159 L162 P163	P137-V139 PolarHBondContact O-N 3.49Å; V139-S153 WeakPolarHBondContact CG1-OG 3.45Å; V139-N157 HydrophobicContact CG2-CB 4.11Å; V139-I159 HydrophobicContact CB-CD1 3.9Å; V139-I159 HydrophobicContact CG1-CD1 4.17Å; V139-I159 HydrophobicContact CG2-CD1 4.5Å; V139-L162 HydrophobicContact CG1-CD1 3.91Å; V139-P163 VanDerWaalsContact O-CD 3.31Å; V139-P163 WeakPolarHBondContact O-CD 3.29Å
140	C	89.3	Confident	81.8	Confident	64 Å²	64	54.9 Å²	54.9	43%	0.432	29%	0.292	S	S	.	.			trans	-125.2	170.5	174.4	63.5	0	0	0	0	110	P163 I165	C140-P163 WeakPolarHBondContact CA-O 3.48Å; C140-P163 HydrophobicContact CB-CG 4.03Å; C140-I165 HydrophobicContact CB-CB 4.5Å; C140-I165 HydrophobicContact CB-CD1 3.64Å; C140-I165 HydrophobicContact CB-CG1 3.99Å
141	I	91.9	Very high	82.7	Confident	17 Å²	17	51.9 Å²	51.9	9%	0.087	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-137.7	145.9	177.3	-166.6	161.1	0	0	0	110.8	A145 D149 A150 L162 P163 V164 I165	I141-A145 HydrophobicContact CD1-CB 3.84Å; I141-A145 HydrophobicContact CG1-CB 3.58Å; I141-D149 HydrophobicContact CD1-CB 4.06Å; I141-A150 VanDerWaalsContact CD1-CA 3.45Å; I141-A150 HydrophobicContact CD1-CB 3.65Å; I141-L162 HydrophobicContact CB-CD1 4.39Å; I141-L162 HydrophobicContact CB-CD2 4.04Å; I141-L162 HydrophobicContact CB-CG 4.24Å; I141-L162 HydrophobicContact CD1-CD2 4.28Å; I141-L162 HydrophobicContact CG2-CD1 4.41Å; I141-L162 HydrophobicContact CG2-CD2 3.72Å; I141-L162 HydrophobicContact CG2-CG 3.78Å; I141-P163 PolarHBondContact N-O 3.32Å; I141-V164 HydrophobicContact CG2-CB 4.43Å; I141-V164 HydrophobicContact CG2-CG2 3.93Å; I141-V164 CarbonylContact O-C 3.57Å; I141-V164 VanDerWaalsContact O-CA 3.28Å; I141-V164 WeakPolarHBondContact O-CA 3.45Å; I141-I165 PolarHBondContact O-N 2.83Å
142	S	93.7	Very high	83.8	Confident	38 Å²	38	51.1 Å²	51.1	27%	0.266	28%	0.279	S	S	.	.			trans	-71.4	144.7	173.9	171.3	0	0	0	0	110.5	N144 A145	S142-N144 PolarHBondContact O-N 3.09Å; S142-N144 PolarHBondContact OG-N 3.11Å; S142-A145 WeakPolarHBondContact O-CB 3.28Å; S142-A145 PolarHBondContact O-N 2.98Å; S142-A145 VanDerWaalsContact O-N 3.11Å
143	P	94.8	Very high	85.1	Confident	7 Å²	7	44.2 Å²	44.2	5%	0.045	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	172.5	24.5	-34.7	0	0	0	112.9	C38 Y39 V164 I165 L173	C38-P143 PolarHBondContact N-O 3.23Å; Y39-P143 WeakPolarHBondContact CB-O 3.4Å; Y39-P143 HydrophobicContact CD2-CB 4.32Å; Y39-P143 PolarHBondContact N-O 3.04Å; P143-V164 HydrophobicContact CB-CG1 3.88Å; P143-I165 WeakPolarHBondContact CD-O 3.49Å; P143-L173 HydrophobicContact CB-CD1 4.02Å; P143-L173 HydrophobicContact CG-CD1 3.98Å
144	N	95.1	Very high	86.6	Confident	90 Å²	90	38 Å²	38	48%	0.481	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.3	-179.9	-69.5	-40	0	0	0	114	R37 S142	R37-N144 PolarHBondContact NH1-OD1 3.47Å; S142-N144 PolarHBondContact O-N 3.09Å; S142-N144 PolarHBondContact OG-N 3.11Å
145	A	95.6	Very high	88	Confident	25 Å²	25	37.9 Å²	37.9	21%	0.207	21%	0.21	C	C	.	.	S	Bend	trans	-73.7	157.1	176.8	0	0	0	0	0	111.4	R37 C38 I141 S142	R37-A145 CarbonylContact C-O 3.54Å; R37-A145 WeakPolarHBondContact CA-O 3.34Å; C38-A145 PolarHBondContact N-O 2.97Å; C38-A145 PolarHBondContact SG-O 3.36Å; C38-A145 VanDerWaalsContact SG-O 3.4Å; I141-A145 HydrophobicContact CD1-CB 3.84Å; I141-A145 HydrophobicContact CG1-CB 3.58Å; S142-A145 WeakPolarHBondContact O-CB 3.28Å; S142-A145 PolarHBondContact O-N 2.98Å; S142-A145 VanDerWaalsContact O-N 3.11Å
146	S	96.6	Very high	89.4	Confident	19 Å²	19	41 Å²	41	13%	0.133	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-70.7	156.7	-177.5	74.3	0	0	0	0	112.3	H36 F148 D149 A150	H36-S146 CarbonylContact O-C 3.56Å; H36-S146 WeakPolarHBondContact O-CA 3.24Å; S146-F148 PolarHBondContact O-N 3.14Å; S146-D149 PolarHBondContact N-OD2 2.69Å; S146-D149 PolarHBondContact O-N 3.26Å; S146-D149 PolarHBondContact OG-N 2.87Å; S146-D149 VanDerWaalsContact OG-N 3.08Å; S146-D149 PolarHBondContact OG-OD2 3.07Å; S146-A150 PolarHBondContact O-N 2.93Å
147	L	95	Very high	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-30.9	170.7	-65.5	179.4	0	0	0	112.3	M33 H36 L41 D149 A150 V151 F184	M33-L147 HydrophobicContact CB-CB 4.2Å; M33-L147 HydrophobicContact CG-CB 4.37Å; M33-L147 WeakPolarHBondContact O-CB 3.37Å; M33-L147 PolarHBondContact O-N 2.97Å; M33-L147 VanDerWaalsContact O-N 3.1Å; H36-L147 HydrophobicContact CB-CD1 3.57Å; H36-L147 HydrophobicContact CB-CG 4.05Å; H36-L147 PolarHBondContact O-N 3.25Å; L41-L147 HydrophobicContact CD1-CD1 3.4Å; L41-L147 HydrophobicContact CD1-CD2 3.66Å; L41-L147 HydrophobicContact CD1-CG 4.09Å; L41-L147 HydrophobicContact CD2-CD1 4.24Å; L41-L147 HydrophobicContact CD2-CD2 3.67Å; L41-L147 HydrophobicContact CG-CD1 4.46Å; L41-L147 HydrophobicContact CG-CD2 4.17Å; L147-D149 VanDerWaalsContact C-N 3.32Å; L147-D149 PolarHBondContact O-N 3.29Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.48Å; L147-A150 PolarHBondContact O-N 3.04Å; L147-A150 VanDerWaalsContact O-N 3.15Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.33Å; L147-F184 HydrophobicContact CD1-CD1 4.09Å; L147-F184 HydrophobicContact CD1-CE1 3.91Å
148	F	94.1	Very high	91.3	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.189	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44	174.9	-175.7	-90.9	0	0	0	111.4	T30 M33 K34 S146 A150 V151 S152 V332	T30-F148 HydrophobicContact CG2-CD2 3.94Å; T30-F148 HydrophobicContact CG2-CE2 3.66Å; M33-F148 HydrophobicContact CB-CB 3.98Å; M33-F148 PolarHBondContact O-N 3.44Å; K34-F148 HydrophobicContact CG-CB 3.79Å; K34-F148 HydrophobicContact CG-CD1 4.46Å; K34-F148 HydrophobicContact CG-CD2 4.26Å; K34-F148 HydrophobicContact CG-CG 3.92Å; S146-F148 PolarHBondContact O-N 3.14Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 3.46Å; F148-V151 PolarHBondContact O-N 2.99Å; F148-S152 VanDerWaalsContact O-CB 3.26Å; F148-S152 WeakPolarHBondContact O-CB 3.41Å; F148-S152 PolarHBondContact O-N 3.25Å; F148-S152 PolarHBondContact O-OG 2.74Å; F148-V332 HydrophobicContact CD2-CG1 4.43Å; F148-V332 HydrophobicContact CD2-CG2 4.44Å; F148-V332 HydrophobicContact CE2-CB 4.41Å; F148-V332 HydrophobicContact CE2-CG1 3.66Å; F148-V332 HydrophobicContact CE2-CG2 4.38Å; F148-V332 HydrophobicContact CZ-CG1 3.91Å
149	D	94.5	Very high	92	Very high	78 Å²	78	46.1 Å²	46.1	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-37.9	175	-62.7	-45.6	0	0	0	111.3	I141 S146 L147 S153	I141-D149 HydrophobicContact CD1-CB 4.06Å; S146-D149 PolarHBondContact N-OD2 2.69Å; S146-D149 PolarHBondContact O-N 3.26Å; S146-D149 PolarHBondContact OG-N 2.87Å; S146-D149 VanDerWaalsContact OG-N 3.08Å; S146-D149 PolarHBondContact OG-OD2 3.07Å; L147-D149 VanDerWaalsContact C-N 3.32Å; L147-D149 PolarHBondContact O-N 3.29Å; D149-S153 WeakPolarHBondContact O-CB 3.06Å; D149-S153 PolarHBondContact O-N 3.47Å
150	A	94.4	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-48.8	177.9	0	0	0	0	0	112	I141 S146 L147 F148 S153 L154 L162 L176	I141-A150 VanDerWaalsContact CD1-CA 3.45Å; I141-A150 HydrophobicContact CD1-CB 3.65Å; S146-A150 PolarHBondContact O-N 2.93Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.48Å; L147-A150 PolarHBondContact O-N 3.04Å; L147-A150 VanDerWaalsContact O-N 3.15Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 3.46Å; A150-S153 PolarHBondContact O-N 2.56Å; A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 3.14Å; A150-L162 HydrophobicContact CB-CD2 3.95Å; A150-L162 WeakPolarHBondContact O-CD2 3.37Å; A150-L176 HydrophobicContact CB-CD2 3.6Å
151	V	94.1	Very high	92.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-44.9	177.2	-179.7	0	0	0	0	110.6	M33 L147 F148 S153 L154 I155 I181 L328 V332	M33-V151 HydrophobicContact SD-CG2 3.96Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.33Å; F148-V151 PolarHBondContact O-N 2.99Å; V151-S153 VanDerWaalsContact C-N 3.27Å; V151-S153 PolarHBondContact O-N 3.38Å; V151-L154 PolarHBondContact O-N 3.1Å; V151-I155 HydrophobicContact CG1-CD1 3.66Å; V151-I155 HydrophobicContact CG1-CG1 4.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.23Å; V151-I155 PolarHBondContact O-N 3.2Å; V151-I181 HydrophobicContact CG2-CD1 3.9Å; V151-I181 HydrophobicContact CG2-CG2 3.81Å; V151-L328 HydrophobicContact CG1-CB 3.94Å; V151-V332 HydrophobicContact CB-CG2 3.94Å; V151-V332 HydrophobicContact CG1-CG2 3.43Å; V151-V332 VanDerWaalsContact CG1-CG2 3.43Å
152	S	92.8	Very high	92.2	Very high	25 Å²	25	46.9 Å²	46.9	18%	0.175	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-40.7	176	-62.3	0	0	0	0	111.8	F148 R156	F148-S152 VanDerWaalsContact O-CB 3.26Å; F148-S152 WeakPolarHBondContact O-CB 3.41Å; F148-S152 PolarHBondContact O-N 3.25Å; F148-S152 PolarHBondContact O-OG 2.74Å; S152-R156 WeakPolarHBondContact O-CB 3.38Å; S152-R156 PolarHBondContact O-N 2.92Å
153	S	91.6	Very high	92.2	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-42	176.9	-171.4	0	0	0	0	112.5	V139 D149 A150 V151 N157	V139-S153 WeakPolarHBondContact CG1-OG 3.45Å; D149-S153 WeakPolarHBondContact O-CB 3.06Å; D149-S153 PolarHBondContact O-N 3.47Å; A150-S153 PolarHBondContact O-N 2.56Å; V151-S153 VanDerWaalsContact C-N 3.27Å; V151-S153 PolarHBondContact O-N 3.38Å; S153-N157 WeakPolarHBondContact O-CB 3.31Å; S153-N157 PolarHBondContact O-N 3.36Å; S153-N157 VanDerWaalsContact O-N 3.14Å; S153-N157 PolarHBondContact O-ND2 3.11Å; S153-N157 PolarHBondContact OG-ND2 3.37Å
154	L	91.3	Very high	92.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-46.8	175.1	-73.4	167	0	0	0	111.7	A150 V151 K158 I159 L162 I181	A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 3.14Å; V151-L154 PolarHBondContact O-N 3.1Å; L154-K158 WeakPolarHBondContact O-CA 3.21Å; L154-K158 PolarHBondContact O-N 3.04Å; L154-K158 VanDerWaalsContact O-N 3.09Å; L154-I159 HydrophobicContact CD2-CG1 4.13Å; L154-I159 WeakPolarHBondContact CD2-O 3.45Å; L154-I159 PolarHBondContact O-N 3.5Å; L154-L162 HydrophobicContact CD2-CB 3.62Å; L154-L162 HydrophobicContact CG-CB 4.13Å; L154-L162 HydrophobicContact CG-CD2 4.28Å; L154-I181 HydrophobicContact CD1-CD1 3.53Å
155	I	89.6	Confident	91.9	Very high	40 Å²	40	41.9 Å²	41.9	21%	0.205	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-53.3	-178	-63.7	163.9	0	0	0	110.8	V151 N157 K158 Q329	V151-I155 HydrophobicContact CG1-CD1 3.66Å; V151-I155 HydrophobicContact CG1-CG1 4.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.23Å; V151-I155 PolarHBondContact O-N 3.2Å; I155-N157 VanDerWaalsContact C-N 3.3Å; I155-N157 PolarHBondContact O-N 2.89Å; I155-K158 PolarHBondContact O-N 3.27Å; I155-Q329 HydrophobicContact CD1-CB 3.89Å; I155-Q329 HydrophobicContact CD1-CG 4.4Å; I155-Q329 HydrophobicContact CG1-CB 4.44Å; I155-Q329 HydrophobicContact CG2-CG 4.44Å
156	R	88.9	Confident	91.6	Very high	184 Å²	184	41.8 Å²	41.8	69%	0.694	20%	0.196	S	C	*	.	H	α-helix	trans	-59.7	-41.5	-175.8	-177.8	171	62.9	-134.9	0	112.1	S152 K158	S152-R156 WeakPolarHBondContact O-CB 3.38Å; S152-R156 PolarHBondContact O-N 2.92Å; R156-K158 VanDerWaalsContact C-N 3.33Å
157	N	87.1	Confident	91	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.1	-179.6	-60.7	-71.8	0	0	0	113.1	V139 S153 I155 I159	V139-N157 HydrophobicContact CG2-CB 4.11Å; S153-N157 WeakPolarHBondContact O-CB 3.31Å; S153-N157 PolarHBondContact O-N 3.36Å; S153-N157 VanDerWaalsContact O-N 3.14Å; S153-N157 PolarHBondContact O-ND2 3.11Å; S153-N157 PolarHBondContact OG-ND2 3.37Å; I155-N157 VanDerWaalsContact C-N 3.3Å; I155-N157 PolarHBondContact O-N 2.89Å; N157-I159 HydrophobicContact CB-CD1 4.1Å; N157-I159 HydrophobicContact CB-CG1 4.01Å; N157-I159 HydrophobicContact CB-CG2 4.24Å; N157-I159 WeakPolarHBondContact O-CG2 3.13Å; N157-I159 PolarHBondContact O-N 3.06Å
158	K	86.8	Confident	90.5	Very high	184 Å²	184	53.5 Å²	53.5	80%	0.8	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.8	-177.8	-57.4	-179.1	-179.3	-179.8	0	112.3	L154 I155 R156	L154-K158 WeakPolarHBondContact O-CA 3.21Å; L154-K158 PolarHBondContact O-N 3.04Å; L154-K158 VanDerWaalsContact O-N 3.09Å; I155-K158 PolarHBondContact O-N 3.27Å; R156-K158 VanDerWaalsContact C-N 3.33Å
159	I	88.4	Confident	90.1	Very high	49 Å²	49	55.1 Å²	55.1	25%	0.251	27%	0.273	S	S	.	.			trans	-112.8	151	-178.4	57.6	175.4	0	0	0	111	V139 L154 N157 L162 H178	V139-I159 HydrophobicContact CB-CD1 3.9Å; V139-I159 HydrophobicContact CG1-CD1 4.17Å; V139-I159 HydrophobicContact CG2-CD1 4.5Å; L154-I159 HydrophobicContact CD2-CG1 4.13Å; L154-I159 WeakPolarHBondContact CD2-O 3.45Å; L154-I159 PolarHBondContact O-N 3.5Å; N157-I159 HydrophobicContact CB-CD1 4.1Å; N157-I159 HydrophobicContact CB-CG1 4.01Å; N157-I159 HydrophobicContact CB-CG2 4.24Å; N157-I159 WeakPolarHBondContact O-CG2 3.13Å; N157-I159 PolarHBondContact O-N 3.06Å; I159-L162 HydrophobicContact CD1-CD1 4.24Å; I159-H178 PolarHBondContact O-CE1 3.32Å
160	H	89.3	Confident	89.4	Confident	74 Å²	74	53 Å²	53	34%	0.343	27%	0.269	S	S	.	.	S	Bend	trans	-104.8	-6.5	-176.8	-65.9	-123.4	0	0	0	113.3
161	R	91	Very high	89	Confident	53 Å²	53	57 Å²	57	20%	0.2	29%	0.291	C	S	.	.			trans	-138.9	117.8	-173.3	-57.2	-65	177.6	-174	-6.6	107.2	R70 A71 M94 I175	R70-R161 VanDerWaalsContact CD-NH2 3.31Å; A71-R161 HydrophobicContact CB-CG 3.96Å; M94-R161 HydrophobicContact CE-CB 4.14Å; R161-I175 HydrophobicContact CB-CG2 3.81Å; R161-I175 HydrophobicContact CG-CG2 4.38Å
162	L	92.8	Very high	88.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	105.8	178.9	178.5	64.4	0	0	0	108.5	V139 I141 A150 L154 I159 V164 L176	V139-L162 HydrophobicContact CG1-CD1 3.91Å; I141-L162 HydrophobicContact CB-CD1 4.39Å; I141-L162 HydrophobicContact CB-CD2 4.04Å; I141-L162 HydrophobicContact CB-CG 4.24Å; I141-L162 HydrophobicContact CD1-CD2 4.28Å; I141-L162 HydrophobicContact CG2-CD1 4.41Å; I141-L162 HydrophobicContact CG2-CD2 3.72Å; I141-L162 HydrophobicContact CG2-CG 3.78Å; A150-L162 HydrophobicContact CB-CD2 3.95Å; A150-L162 WeakPolarHBondContact O-CD2 3.37Å; L154-L162 HydrophobicContact CD2-CB 3.62Å; L154-L162 HydrophobicContact CG-CB 4.13Å; L154-L162 HydrophobicContact CG-CD2 4.28Å; I159-L162 HydrophobicContact CD1-CD1 4.24Å; L162-V164 PolarHBondContact O-N 3.25Å; L162-L176 HydrophobicContact CB-CB 4.36Å; L162-L176 PolarHBondContact N-O 3.46Å; L162-L176 WeakPolarHBondContact O-CB 3.48Å; L162-L176 PolarHBondContact O-N 3.21Å
163	P	92.7	Very high	88.8	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.8	176.1	26.1	-32.8	0	0	0	110.8	M94 L138 V139 C140 I141 I165 T172	M94-P163 HydrophobicContact SD-CB 4.34Å; M94-P163 HydrophobicContact SD-CG 4.16Å; L138-P163 HydrophobicContact CD1-CG 3.93Å; L138-P163 HydrophobicContact CD2-CG 4.39Å; L138-P163 HydrophobicContact CG-CG 4.42Å; V139-P163 VanDerWaalsContact O-CD 3.31Å; V139-P163 WeakPolarHBondContact O-CD 3.29Å; C140-P163 WeakPolarHBondContact CA-O 3.48Å; C140-P163 HydrophobicContact CB-CG 4.03Å; I141-P163 PolarHBondContact N-O 3.32Å; P163-I165 HydrophobicContact CB-CD1 4.45Å; P163-I165 HydrophobicContact CB-CG1 4.25Å; P163-T172 HydrophobicContact CB-CG2 4.16Å
164	V	93.3	Very high	88.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.5	170	-173.2	0	0	0	0	107.1	C38 I42 I141 P143 L162 L173 Y174 L176	C38-V164 HydrophobicContact CB-CG1 4.39Å; C38-V164 HydrophobicContact CB-CG2 4.46Å; I42-V164 HydrophobicContact CD1-CG1 4.23Å; I141-V164 HydrophobicContact CG2-CB 4.43Å; I141-V164 HydrophobicContact CG2-CG2 3.93Å; I141-V164 CarbonylContact O-C 3.57Å; I141-V164 VanDerWaalsContact O-CA 3.28Å; I141-V164 WeakPolarHBondContact O-CA 3.45Å; P143-V164 HydrophobicContact CB-CG1 3.88Å; L162-V164 PolarHBondContact O-N 3.25Å; V164-L173 PolarHBondContact O-N 2.97Å; V164-Y174 PolarHBondContact N-O 3.32Å; V164-Y174 PolarHBondContact O-N 3.06Å; V164-L176 HydrophobicContact CG2-CB 4.16Å
165	I	90.6	Very high	89	Confident	28 Å²	28	62 Å²	62	14%	0.144	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.9	-175.4	-58	-177.3	0	0	0	108.2	C140 I141 P143 P163 P167 N171 T172	C140-I165 HydrophobicContact CB-CB 4.5Å; C140-I165 HydrophobicContact CB-CD1 3.64Å; C140-I165 HydrophobicContact CB-CG1 3.99Å; I141-I165 PolarHBondContact O-N 2.83Å; P143-I165 WeakPolarHBondContact CD-O 3.49Å; P163-I165 HydrophobicContact CB-CD1 4.45Å; P163-I165 HydrophobicContact CB-CG1 4.25Å; I165-P167 WeakPolarHBondContact O-CD 3.33Å; I165-N171 WeakPolarHBondContact CA-O 3.32Å; I165-T172 HydrophobicContact CG1-CG2 4.37Å
166	D	88.6	Confident	89.3	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.128	30%	0.302	C	S	.	.			trans	-70.4	118.9	173.4	179	34.8	0	0	0	109.9	E168 S169 G170 N171 L173	D166-E168 PolarHBondContact O-N 3.2Å; D166-E168 PolarHBondContact OD1-N 3.41Å; D166-S169 WeakPolarHBondContact OD2-CB 3.37Å; D166-S169 PolarHBondContact OD2-N 3.09Å; D166-S169 PolarHBondContact OD2-OG 2.92Å; D166-G170 WeakPolarHBondContact O-CA 3.47Å; D166-G170 PolarHBondContact O-N 3.06Å; D166-N171 PolarHBondContact N-O 2.89Å; D166-L173 HydrophobicContact CB-CD1 4.06Å; D166-L173 HydrophobicContact CB-CD2 4.23Å; D166-L173 HydrophobicContact CB-CG 4.14Å
167	P	84.2	Confident	89.5	Confident	91 Å²	91	52.1 Å²	52.1	59%	0.591	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.4	-179.7	27.7	-36	0	0	0	113.3	I165	I165-P167 WeakPolarHBondContact O-CD 3.33Å
168	E	85.4	Confident	89.8	Confident	174 Å²	174	49.6 Å²	49.6	81%	0.813	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-52	-178.6	-65.2	-178.8	-165.1	0	0	111.3	D166	D166-E168 PolarHBondContact O-N 3.2Å; D166-E168 PolarHBondContact OD1-N 3.41Å
169	S	83.9	Confident	90	Very high	76 Å²	76	43.4 Å²	43.4	53%	0.531	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-19.5	-179	-47.2	0	0	0	0	113.4	D166 N171	D166-S169 WeakPolarHBondContact OD2-CB 3.37Å; D166-S169 PolarHBondContact OD2-N 3.09Å; D166-S169 PolarHBondContact OD2-OG 2.92Å; S169-N171 WeakPolarHBondContact CB-ND2 3.2Å; S169-N171 PolarHBondContact O-N 3.3Å
170	G	81.7	Confident	90.3	Very high	34 Å²	34	44.8 Å²	44.8	35%	0.351	24%	0.235	S	C	.	.			trans	70.7	4.9	-168.6	0	0	0	0	0	114.1	F82 D166	F82-G170 WeakPolarHBondContact CD2-O 3.34Å; F82-G170 WeakPolarHBondContact CE2-O 3.13Å; D166-G170 WeakPolarHBondContact O-CA 3.47Å; D166-G170 PolarHBondContact O-N 3.06Å
171	N	85.6	Confident	90.5	Very high	85 Å²	85	41.3 Å²	41.3	46%	0.455	22%	0.219	S	C	.	.			trans	-78.7	134.9	-176.2	-73	-30.7	0	0	0	111.3	I165 D166 S169 L173	I165-N171 WeakPolarHBondContact CA-O 3.32Å; D166-N171 PolarHBondContact N-O 2.89Å; S169-N171 WeakPolarHBondContact CB-ND2 3.2Å; S169-N171 PolarHBondContact O-N 3.3Å; N171-L173 HydrophobicContact CB-CD2 4.37Å; N171-L173 PolarHBondContact O-N 3.43Å
172	T	89.5	Confident	90.6	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.2	166.5	-57.1	0	0	0	0	108.7	L48 P73 P163 I165	L48-T172 HydrophobicContact CD1-CG2 4.45Å; L48-T172 HydrophobicContact CD2-CG2 3.67Å; L48-T172 WeakPolarHBondContact CD2-O 3.31Å; P73-T172 HydrophobicContact CG-CG2 3.94Å; P163-T172 HydrophobicContact CB-CG2 4.16Å; I165-T172 HydrophobicContact CG1-CG2 4.37Å
173	L	91.8	Very high	90.6	Very high	61 Å²	61	42.2 Å²	42.2	32%	0.319	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-45	-176.4	-57.2	-177.9	0	0	0	111.8	I42 P143 V164 D166 N171	I42-L173 HydrophobicContact CD1-CB 4.15Å; I42-L173 HydrophobicContact CD1-CD1 4.37Å; P143-L173 HydrophobicContact CB-CD1 4.02Å; P143-L173 HydrophobicContact CG-CD1 3.98Å; V164-L173 PolarHBondContact O-N 2.97Å; D166-L173 HydrophobicContact CB-CD1 4.06Å; D166-L173 HydrophobicContact CB-CD2 4.23Å; D166-L173 HydrophobicContact CB-CG 4.14Å; N171-L173 HydrophobicContact CB-CD2 4.37Å; N171-L173 PolarHBondContact O-N 3.43Å
174	Y	94.3	Very high	90.5	Very high	42 Å²	42	42.9 Å²	42.9	17%	0.165	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.7	-172.9	-170.5	-115.2	0	0	0	111.9	I42 P43 V164 L176 R180	I42-Y174 HydrophobicContact CG1-CD1 4.26Å; I42-Y174 HydrophobicContact CG1-CG 4.22Å; I42-Y174 HydrophobicContact CG2-CG 4.3Å; P43-Y174 HydrophobicContact CG-CE2 4.09Å; V164-Y174 PolarHBondContact N-O 3.32Å; V164-Y174 PolarHBondContact O-N 3.06Å; Y174-L176 HydrophobicContact CD1-CD1 4.37Å; Y174-L176 HydrophobicContact CE1-CD1 4.23Å; Y174-R180 HydrophobicContact CE1-CG 4.34Å
175	I	93.9	Very high	90.4	Very high	24 Å²	24	43 Å²	43	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	106.9	172.8	-58.7	163	0	0	0	108.5	L48 P73 M94 R161	L48-I175 HydrophobicContact CD1-CD1 3.7Å; L48-I175 HydrophobicContact CD1-CG1 3.86Å; P73-I175 HydrophobicContact CG-CD1 4.33Å; M94-I175 HydrophobicContact CE-CD1 3.67Å; M94-I175 HydrophobicContact CE-CG1 4.01Å; M94-I175 HydrophobicContact CE-CG2 4Å; R161-I175 HydrophobicContact CB-CG2 3.81Å; R161-I175 HydrophobicContact CG-CG2 4.38Å
176	L	94.6	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145.5	179	-157.8	66.4	0	0	0	111.4	L41 A150 L162 V164 Y174 I181	L41-L176 HydrophobicContact CB-CD1 3.9Å; L41-L176 HydrophobicContact CD2-CD1 3.76Å; L41-L176 HydrophobicContact CG-CD1 4.48Å; A150-L176 HydrophobicContact CB-CD2 3.6Å; L162-L176 HydrophobicContact CB-CB 4.36Å; L162-L176 PolarHBondContact N-O 3.46Å; L162-L176 WeakPolarHBondContact O-CB 3.48Å; L162-L176 PolarHBondContact O-N 3.21Å; V164-L176 HydrophobicContact CG2-CB 4.16Å; Y174-L176 HydrophobicContact CD1-CD1 4.37Å; Y174-L176 HydrophobicContact CE1-CD1 4.23Å; L176-I181 HydrophobicContact CD1-CG1 4.19Å; L176-I181 HydrophobicContact CD2-CD1 3.78Å; L176-I181 HydrophobicContact CD2-CG1 4.03Å; L176-I181 HydrophobicContact CG-CD1 3.92Å; L176-I181 HydrophobicContact CG-CG1 3.93Å
177	T	93.6	Very high	90.2	Very high	15 Å²	15	48 Å²	48	9%	0.092	25%	0.252	C	S	.	.			trans	-142.4	150.7	-173.3	75.9	0	0	0	0	110.4	K179 R180 I181	T177-K179 PolarHBondContact O-N 3.3Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-R180 VanDerWaalsContact O-N 3.11Å; T177-R180 WeakPolarHBondContact OG1-CB 3.38Å; T177-R180 PolarHBondContact OG1-N 3.12Å; T177-R180 VanDerWaalsContact OG1-N 3.11Å; T177-I181 WeakPolarHBondContact O-CG1 3.44Å; T177-I181 PolarHBondContact O-N 3.04Å
178	H	93.3	Very high	90.1	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-51.6	-41.9	173.5	-60.8	107.1	0	0	0	112.5	I159 R180 I181 L182 L324 L328	I159-H178 PolarHBondContact O-CE1 3.32Å; H178-R180 PolarHBondContact O-N 3.36Å; H178-I181 PolarHBondContact O-N 2.83Å; H178-L182 PolarHBondContact O-N 3.38Å; H178-L324 HydrophobicContact CB-CB 3.82Å; H178-L324 HydrophobicContact CB-CD1 4.26Å; H178-L328 HydrophobicContact CB-CD1 3.64Å; H178-L328 VanDerWaalsContact CD2-CD1 3.5Å; H178-L328 WeakPolarHBondContact CD2-CD1 3.27Å
179	K	91.9	Very high	89.8	Confident	54 Å²	54	40 Å²	40	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-45.7	179.4	-172.5	173.7	79.4	152.5	0	111.8	T177 K183 E305 L324	T177-K179 PolarHBondContact O-N 3.3Å; K179-K183 WeakPolarHBondContact O-CB 3.45Å; K179-K183 PolarHBondContact O-N 2.93Å; K179-E305 HydrophobicContact CD-CB 4.27Å; K179-E305 WeakPolarHBondContact CD-O 3.45Å; K179-E305 IonicContact NZ-OE2 3.82Å; K179-E305 PolarHBondContact NZ-OE2 2.91Å; K179-L324 HydrophobicContact CB-CD1 3.81Å; K179-L324 HydrophobicContact CG-CD1 4.41Å
180	R	93.9	Very high	89.2	Confident	79 Å²	79	39.6 Å²	39.6	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-42.5	-180	-176.4	60.9	173.7	173.7	3.8	111.3	L41 Y174 T177 H178 F184	L41-R180 PolarHBondContact O-NE 3.13Å; L41-R180 PolarHBondContact O-NH2 2.89Å; L41-R180 VanDerWaalsContact O-NH2 3.08Å; Y174-R180 HydrophobicContact CE1-CG 4.34Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-R180 VanDerWaalsContact O-N 3.11Å; T177-R180 WeakPolarHBondContact OG1-CB 3.38Å; T177-R180 PolarHBondContact OG1-N 3.12Å; T177-R180 VanDerWaalsContact OG1-N 3.11Å; H178-R180 PolarHBondContact O-N 3.36Å; R180-F184 WeakPolarHBondContact O-CB 3.03Å; R180-F184 PolarHBondContact O-N 2.99Å
181	I	94.4	Very high	88.7	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-51.3	177.8	-62.7	165.3	0	0	0	110.3	L41 V151 L154 L176 T177 H178 K183 F184 L185 L328	L41-I181 HydrophobicContact CD2-CB 4.29Å; L41-I181 HydrophobicContact CD2-CG1 3.75Å; V151-I181 HydrophobicContact CG2-CD1 3.9Å; V151-I181 HydrophobicContact CG2-CG2 3.81Å; L154-I181 HydrophobicContact CD1-CD1 3.53Å; L176-I181 HydrophobicContact CD1-CG1 4.19Å; L176-I181 HydrophobicContact CD2-CD1 3.78Å; L176-I181 HydrophobicContact CD2-CG1 4.03Å; L176-I181 HydrophobicContact CG-CD1 3.92Å; L176-I181 HydrophobicContact CG-CG1 3.93Å; T177-I181 WeakPolarHBondContact O-CG1 3.44Å; T177-I181 PolarHBondContact O-N 3.04Å; H178-I181 PolarHBondContact O-N 2.83Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 2.7Å; I181-F184 WeakPolarHBondContact O-CB 3.33Å; I181-F184 PolarHBondContact O-N 3.32Å; I181-F184 VanDerWaalsContact O-N 3.14Å; I181-L185 HydrophobicContact CG2-CD1 4.02Å; I181-L185 HydrophobicContact CG2-CG 4.32Å; I181-L185 WeakPolarHBondContact O-CG 3.32Å; I181-L185 PolarHBondContact O-N 3.14Å; I181-L328 HydrophobicContact CB-CD1 4.45Å; I181-L328 HydrophobicContact CG2-CD1 4.49Å; I181-L328 HydrophobicContact CG2-CD2 3.86Å
182	L	92.6	Very high	88.1	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-39.1	-178.5	-169	68.1	0	0	0	112.3	H178 F184 L185 K186 I298 V302 L324 I327 L328 L331	H178-L182 PolarHBondContact O-N 3.38Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.23Å; L182-L185 PolarHBondContact O-N 3.45Å; L182-K186 WeakPolarHBondContact O-CB 3.17Å; L182-K186 PolarHBondContact O-N 3.02Å; L182-I298 HydrophobicContact CD1-CG2 4.25Å; L182-I298 HydrophobicContact CD2-CG2 4.35Å; L182-I298 HydrophobicContact CG-CG2 4.35Å; L182-V302 HydrophobicContact CD2-CG2 4.07Å; L182-V302 HydrophobicContact CG-CG2 4.03Å; L182-L324 HydrophobicContact CB-CD2 4.39Å; L182-L324 HydrophobicContact CD2-CD2 3.28Å; L182-L324 HydrophobicContact CG-CD2 4.45Å; L182-I327 HydrophobicContact CD1-CG2 3.98Å; L182-I327 HydrophobicContact CD2-CG2 4.47Å; L182-L328 HydrophobicContact CD1-CD2 4.34Å; L182-L331 HydrophobicContact CD1-CD1 3.99Å
183	K	92.3	Very high	87.6	Confident	70 Å²	70	51 Å²	51	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-41.2	174.7	-171.6	170.1	-172.4	172.2	0	111.7	K179 I181 K186 L187 V302 E305	K179-K183 WeakPolarHBondContact O-CB 3.45Å; K179-K183 PolarHBondContact O-N 2.93Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 2.7Å; K183-K186 PolarHBondContact O-N 3.26Å; K183-L187 HydrophobicContact CG-CD1 4.34Å; K183-L187 VanDerWaalsContact O-CG 3.29Å; K183-L187 WeakPolarHBondContact O-CG 3.26Å; K183-L187 PolarHBondContact O-N 3.35Å; K183-L187 VanDerWaalsContact O-N 3.11Å; K183-V302 HydrophobicContact CB-CG1 4.37Å; K183-V302 HydrophobicContact CG-CG1 4.09Å; K183-E305 IonicContact NZ-OE1 3.04Å; K183-E305 PolarHBondContact NZ-OE1 2.94Å
184	F	92.1	Very high	87.1	Confident	16 Å²	16	52.4 Å²	52.4	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-50.1	174.6	-175.8	-95.4	0	0	0	111.2	F32 H36 D40 L41 L147 R180 I181 L182 K186 L187 F188	F32-F184 AromaticContact CE1-CD1 3.94Å; F32-F184 HydrophobicContact CE1-CD1 3.94Å; F32-F184 AromaticContact CE1-CE1 3.55Å; F32-F184 HydrophobicContact CE1-CE1 3.55Å; F32-F184 HydrophobicContact CZ-CD1 4.34Å; F32-F184 AromaticContact CZ-CE1 3.69Å; F32-F184 HydrophobicContact CZ-CE1 3.69Å; F32-F184 HydrophobicContact CZ-CZ 4.41Å; H36-F184 AromaticContact CD2-CZ 3.91Å; D40-F184 HydrophobicContact CB-CZ 4.33Å; L41-F184 HydrophobicContact CD1-CB 4.21Å; L41-F184 HydrophobicContact CD1-CD1 3.42Å; L41-F184 VanDerWaalsContact CD1-CD1 3.42Å; L41-F184 HydrophobicContact CD1-CD2 3.58Å; L41-F184 HydrophobicContact CD1-CE1 3.49Å; L41-F184 VanDerWaalsContact CD1-CE1 3.49Å; L41-F184 HydrophobicContact CD1-CE2 3.65Å; L41-F184 HydrophobicContact CD1-CG 3.46Å; L41-F184 VanDerWaalsContact CD1-CG 3.46Å; L41-F184 HydrophobicContact CD1-CZ 3.62Å; L41-F184 HydrophobicContact CD2-CB 4.16Å; L41-F184 HydrophobicContact CD2-CG 4.31Å; L41-F184 HydrophobicContact CG-CB 3.94Å; L41-F184 HydrophobicContact CG-CD1 4.11Å; L41-F184 HydrophobicContact CG-CD2 3.88Å; L41-F184 HydrophobicContact CG-CE2 4.39Å; L41-F184 HydrophobicContact CG-CG 3.72Å; L147-F184 HydrophobicContact CD1-CD1 4.09Å; L147-F184 HydrophobicContact CD1-CE1 3.91Å; R180-F184 WeakPolarHBondContact O-CB 3.03Å; R180-F184 PolarHBondContact O-N 2.99Å; I181-F184 WeakPolarHBondContact O-CB 3.33Å; I181-F184 PolarHBondContact O-N 3.32Å; I181-F184 VanDerWaalsContact O-N 3.14Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-F184 PolarHBondContact O-N 3.23Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.05Å; F184-L187 PolarHBondContact O-N 2.68Å; F184-L187 VanDerWaalsContact O-N 3.17Å; F184-F188 HydrophobicContact CD1-CD2 4.21Å; F184-F188 AromaticContact CD2-CD2 3.75Å; F184-F188 HydrophobicContact CD2-CD2 3.75Å; F184-F188 AromaticContact CD2-CE2 3.5Å; F184-F188 HydrophobicContact CD2-CE2 3.5Å; F184-F188 VanDerWaalsContact CD2-CE2 3.5Å; F184-F188 HydrophobicContact CE1-CD2 4.07Å; F184-F188 HydrophobicContact CE1-CE2 4.44Å; F184-F188 AromaticContact CE2-CD2 3.59Å; F184-F188 HydrophobicContact CE2-CD2 3.59Å; F184-F188 AromaticContact CE2-CE2 3.15Å; F184-F188 HydrophobicContact CE2-CE2 3.15Å; F184-F188 AromaticContact CE2-CZ 3.87Å; F184-F188 HydrophobicContact CE2-CZ 3.87Å; F184-F188 HydrophobicContact CG-CD2 4.07Å; F184-F188 HydrophobicContact CG-CE2 4.28Å; F184-F188 AromaticContact CZ-CD2 3.75Å; F184-F188 HydrophobicContact CZ-CD2 3.75Å; F184-F188 AromaticContact CZ-CE2 3.69Å; F184-F188 HydrophobicContact CZ-CE2 3.69Å; F184-F188 HydrophobicContact CZ-CG 4.4Å; F184-F188 HydrophobicContact CZ-CZ 4.26Å; F184-F188 WeakPolarHBondContact O-CD2 3.35Å; F184-F188 PolarHBondContact O-N 3.21Å; F184-F188 VanDerWaalsContact O-N 3.15Å
185	L	90.2	Very high	86.6	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-55.8	-44.7	176.7	-66.2	174.6	0	0	0	111.6	F32 M33 I181 L182 L187 F188 I189 L328 L331	F32-L185 HydrophobicContact CD1-CD2 3.64Å; F32-L185 HydrophobicContact CE1-CD2 3.83Å; M33-L185 HydrophobicContact CG-CD2 3.77Å; M33-L185 HydrophobicContact SD-CD1 4.18Å; M33-L185 HydrophobicContact SD-CD2 4.4Å; I181-L185 HydrophobicContact CG2-CD1 4.02Å; I181-L185 HydrophobicContact CG2-CG 4.32Å; I181-L185 WeakPolarHBondContact O-CG 3.32Å; I181-L185 PolarHBondContact O-N 3.14Å; L182-L185 PolarHBondContact O-N 3.45Å; L185-L187 PolarHBondContact O-N 2.98Å; L185-F188 PolarHBondContact O-N 3.21Å; L185-I189 HydrophobicContact CB-CD1 4.14Å; L185-I189 HydrophobicContact CD2-CD1 3.75Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 WeakPolarHBondContact O-CG1 3.26Å; L185-I189 PolarHBondContact O-N 3.33Å; L185-L328 HydrophobicContact CD1-CD2 3.82Å; L185-L331 HydrophobicContact CD1-CD1 4.2Å
186	K	88.3	Confident	86.2	Confident	49 Å²	49	56.1 Å²	56.1	21%	0.213	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-43.2	178.8	177.3	59.9	-170.1	171.9	0	112.5	L182 K183 F184 T190 N299 V302	L182-K186 WeakPolarHBondContact O-CB 3.17Å; L182-K186 PolarHBondContact O-N 3.02Å; K183-K186 PolarHBondContact O-N 3.26Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.05Å; K186-T190 WeakPolarHBondContact CE-OG1 3.35Å; K186-T190 PolarHBondContact NZ-OG1 3.01Å; K186-T190 WeakPolarHBondContact O-CB 3.07Å; K186-T190 PolarHBondContact O-N 3.25Å; K186-T190 PolarHBondContact O-OG1 3.38Å; K186-N299 WeakPolarHBondContact CE-OD1 3.48Å; K186-N299 PolarHBondContact NZ-OD1 3.03Å; K186-V302 HydrophobicContact CB-CG1 4.37Å; K186-V302 HydrophobicContact CB-CG2 4.18Å; K186-V302 HydrophobicContact CG-CG1 4.22Å; K186-V302 HydrophobicContact CG-CG2 4.44Å
187	L	87.4	Confident	85.8	Confident	109 Å²	109	56.9 Å²	56.9	57%	0.571	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-44.6	-178.4	-72.7	168.8	0	0	0	112.1	K183 F184 L185	K183-L187 HydrophobicContact CG-CD1 4.34Å; K183-L187 VanDerWaalsContact O-CG 3.29Å; K183-L187 WeakPolarHBondContact O-CG 3.26Å; K183-L187 PolarHBondContact O-N 3.35Å; K183-L187 VanDerWaalsContact O-N 3.11Å; F184-L187 PolarHBondContact O-N 2.68Å; F184-L187 VanDerWaalsContact O-N 3.17Å; L185-L187 PolarHBondContact O-N 2.98Å
188	F	82.1	Confident	85.6	Confident	92 Å²	92	56.5 Å²	56.5	40%	0.404	27%	0.27	S	S	.	.	H	α-helix	trans	-89.8	-28.3	-173.3	-73.5	-88.4	0	0	0	114	F32 F184 L185 F192	F32-F188 HydrophobicContact CE1-CB 4.37Å; F32-F188 HydrophobicContact CE2-CB 3.71Å; F32-F188 HydrophobicContact CZ-CB 3.38Å; F32-F188 AromaticContact CZ-CG 3.98Å; F32-F188 HydrophobicContact CZ-CG 3.98Å; F184-F188 HydrophobicContact CD1-CD2 4.21Å; F184-F188 AromaticContact CD2-CD2 3.75Å; F184-F188 HydrophobicContact CD2-CD2 3.75Å; F184-F188 AromaticContact CD2-CE2 3.5Å; F184-F188 HydrophobicContact CD2-CE2 3.5Å; F184-F188 VanDerWaalsContact CD2-CE2 3.5Å; F184-F188 HydrophobicContact CE1-CD2 4.07Å; F184-F188 HydrophobicContact CE1-CE2 4.44Å; F184-F188 AromaticContact CE2-CD2 3.59Å; F184-F188 HydrophobicContact CE2-CD2 3.59Å; F184-F188 AromaticContact CE2-CE2 3.15Å; F184-F188 HydrophobicContact CE2-CE2 3.15Å; F184-F188 AromaticContact CE2-CZ 3.87Å; F184-F188 HydrophobicContact CE2-CZ 3.87Å; F184-F188 HydrophobicContact CG-CD2 4.07Å; F184-F188 HydrophobicContact CG-CE2 4.28Å; F184-F188 AromaticContact CZ-CD2 3.75Å; F184-F188 HydrophobicContact CZ-CD2 3.75Å; F184-F188 AromaticContact CZ-CE2 3.69Å; F184-F188 HydrophobicContact CZ-CE2 3.69Å; F184-F188 HydrophobicContact CZ-CG 4.4Å; F184-F188 HydrophobicContact CZ-CZ 4.26Å; F184-F188 WeakPolarHBondContact O-CD2 3.35Å; F184-F188 PolarHBondContact O-N 3.21Å; F184-F188 VanDerWaalsContact O-N 3.15Å; L185-F188 PolarHBondContact O-N 3.21Å; F188-F192 VanDerWaalsContact O-CD2 3.29Å; F188-F192 WeakPolarHBondContact O-CD2 3.41Å; F188-F192 WeakPolarHBondContact O-CE2 3.46Å
189	I	78.1	Confident	85.5	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-87.5	-16.3	-176.2	-61	176.3	0	0	0	112.2	V28 Y29 F32 L185 E191 F192	V28-I189 HydrophobicContact CG1-CG2 4.42Å; Y29-I189 HydrophobicContact CD1-CD1 3.22Å; Y29-I189 HydrophobicContact CD1-CG2 4.48Å; Y29-I189 HydrophobicContact CE1-CB 4.23Å; Y29-I189 HydrophobicContact CE1-CD1 3.42Å; Y29-I189 VanDerWaalsContact CE1-CD1 3.42Å; Y29-I189 HydrophobicContact CE1-CG1 4.4Å; Y29-I189 HydrophobicContact CE1-CG2 3.85Å; Y29-I189 HydrophobicContact CE2-CG2 4.27Å; Y29-I189 HydrophobicContact CG-CD1 3.98Å; F32-I189 HydrophobicContact CB-CD1 4.23Å; F32-I189 HydrophobicContact CD1-CD1 3.9Å; F32-I189 HydrophobicContact CD1-CG1 4.21Å; F32-I189 HydrophobicContact CD2-CG1 4.17Å; F32-I189 HydrophobicContact CE1-CD1 4.45Å; F32-I189 HydrophobicContact CE1-CG1 4.45Å; F32-I189 HydrophobicContact CE2-CG1 4.41Å; F32-I189 HydrophobicContact CG-CD1 3.98Å; F32-I189 HydrophobicContact CG-CG1 4.08Å; L185-I189 HydrophobicContact CB-CD1 4.14Å; L185-I189 HydrophobicContact CD2-CD1 3.75Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 WeakPolarHBondContact O-CG1 3.26Å; L185-I189 PolarHBondContact O-N 3.33Å; I189-E191 PolarHBondContact O-N 3.32Å; I189-E191 VanDerWaalsContact O-N 3.12Å; I189-F192 PolarHBondContact O-N 3.06Å
190	T	72.4	Confident	85.5	Confident	69 Å²	69	61.3 Å²	61.3	42%	0.423	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	175.7	-58.9	0	0	0	0	112.3	K186	K186-T190 WeakPolarHBondContact CE-OG1 3.35Å; K186-T190 PolarHBondContact NZ-OG1 3.01Å; K186-T190 WeakPolarHBondContact O-CB 3.07Å; K186-T190 PolarHBondContact O-N 3.25Å; K186-T190 PolarHBondContact O-OG1 3.38Å
191	E	71.3	Confident	85.6	Confident	167 Å²	167	58.3 Å²	58.3	78%	0.78	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.8	176.9	-60.5	-174.2	168.4	0	0	113.8	I189	I189-E191 PolarHBondContact O-N 3.32Å; I189-E191 VanDerWaalsContact O-N 3.12Å
192	F	72.4	Confident	85.6	Confident	111 Å²	111	58.3 Å²	58.3	49%	0.487	29%	0.292	S	S	.	.	S	Bend	trans	-106.4	158.7	-178	-68.6	-86.3	0	0	0	112.4	V28 F188 I189 K194	V28-F192 HydrophobicContact CG1-CB 4.48Å; F188-F192 VanDerWaalsContact O-CD2 3.29Å; F188-F192 WeakPolarHBondContact O-CD2 3.41Å; F188-F192 WeakPolarHBondContact O-CE2 3.46Å; I189-F192 PolarHBondContact O-N 3.06Å; F192-K194 PolarHBondContact O-N 3.24Å
193	P	78.8	Confident	85.7	Confident	95 Å²	95	63.3 Å²	63.3	62%	0.617	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-53.8	123.2	170.9	-24.3	34.1	0	0	0	110.8
194	K	80.8	Confident	85.7	Confident	90 Å²	90	66.4 Å²	66.4	39%	0.391	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-77	135.2	-180	-64.6	174.6	-167.3	161.9	0	109.3	F192 E295	F192-K194 PolarHBondContact O-N 3.24Å; K194-E295 WeakPolarHBondContact CE-OE1 3.46Å; K194-E295 VanDerWaalsContact NZ-CD 3.32Å; K194-E295 IonicContact NZ-OE1 2.72Å; K194-E295 PolarHBondContact NZ-OE1 2.89Å; K194-E295 IonicContact NZ-OE2 2.84Å; K194-E295 PolarHBondContact NZ-OE2 3.04Å
195	P	84.3	Confident	85.7	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.013	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.6	153.4	175.8	29.4	-34.2	0	0	0	111.1	N25 Y29 F197 M198	N25-P195 WeakPolarHBondContact O-CB 3.47Å; Y29-P195 HydrophobicContact CD2-CG 3.96Å; Y29-P195 HydrophobicContact CE2-CG 3.64Å; P195-F197 HydrophobicContact CB-CD1 3.67Å; P195-F197 HydrophobicContact CB-CE1 3.45Å; P195-F197 VanDerWaalsContact CB-CE1 3.45Å; P195-F197 HydrophobicContact CB-CZ 4.16Å; P195-F197 HydrophobicContact CG-CD1 3.8Å; P195-F197 HydrophobicContact CG-CE1 3.22Å; P195-F197 HydrophobicContact CG-CE2 4.09Å; P195-F197 HydrophobicContact CG-CG 4.46Å; P195-F197 HydrophobicContact CG-CZ 3.39Å; P195-F197 PolarHBondContact O-N 3.05Å; P195-F197 VanDerWaalsContact O-N 3.14Å; P195-M198 HydrophobicContact CG-CG 3.85Å; P195-M198 WeakPolarHBondContact O-CB 3.29Å; P195-M198 PolarHBondContact O-N 3.12Å
196	E	85.6	Confident	85.8	Confident	142 Å²	142	72.4 Å²	72.4	66%	0.664	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.8	-174.3	-167.1	-171.8	155.9	0	0	113.4	M198 S199	E196-M198 PolarHBondContact O-N 3.09Å; E196-M198 VanDerWaalsContact O-N 3.13Å; E196-S199 PolarHBondContact O-N 3.36Å; E196-S199 PolarHBondContact O-OG 3.15Å
197	F	86.8	Confident	86.1	Confident	16 Å²	16	70.6 Å²	70.6	7%	0.07	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-64.7	-17.7	178	70.6	-104.4	0	0	0	113.4	Y29 P195 S199 K200 L205 L294 L331	Y29-F197 HydrophobicContact CD2-CE2 4.41Å; Y29-F197 AromaticContact CD2-CZ 3.65Å; Y29-F197 HydrophobicContact CD2-CZ 3.65Å; Y29-F197 HydrophobicContact CE2-CE2 4.29Å; Y29-F197 AromaticContact CE2-CZ 3.87Å; Y29-F197 HydrophobicContact CE2-CZ 3.87Å; P195-F197 HydrophobicContact CB-CD1 3.67Å; P195-F197 HydrophobicContact CB-CE1 3.45Å; P195-F197 VanDerWaalsContact CB-CE1 3.45Å; P195-F197 HydrophobicContact CB-CZ 4.16Å; P195-F197 HydrophobicContact CG-CD1 3.8Å; P195-F197 HydrophobicContact CG-CE1 3.22Å; P195-F197 HydrophobicContact CG-CE2 4.09Å; P195-F197 HydrophobicContact CG-CG 4.46Å; P195-F197 HydrophobicContact CG-CZ 3.39Å; P195-F197 PolarHBondContact O-N 3.05Å; P195-F197 VanDerWaalsContact O-N 3.14Å; F197-S199 VanDerWaalsContact C-N 3.29Å; F197-S199 PolarHBondContact O-N 3.32Å; F197-K200 PolarHBondContact O-N 3.09Å; F197-L205 HydrophobicContact CB-CD2 4.26Å; F197-L294 HydrophobicContact CD2-CD2 3.98Å; F197-L294 HydrophobicContact CE2-CD2 4.14Å; F197-L331 HydrophobicContact CE2-CD2 3.8Å; F197-L331 HydrophobicContact CZ-CD2 4.14Å
198	M	88.2	Confident	86.4	Confident	6 Å²	6	66 Å²	66	3%	0.03	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-69.8	-27.3	177.6	-68.8	-69.3	-66.1	0	0	112.9	Y29 P195 E196 L294 E295 I298	Y29-M198 HydrophobicContact CE2-CG 4.15Å; Y29-M198 HydrophobicContact CE2-SD 3.86Å; Y29-M198 WeakPolarHBondContact OH-CE 3.37Å; Y29-M198 PolarHBondContact OH-SD 3.29Å; P195-M198 HydrophobicContact CG-CG 3.85Å; P195-M198 WeakPolarHBondContact O-CB 3.29Å; P195-M198 PolarHBondContact O-N 3.12Å; E196-M198 PolarHBondContact O-N 3.09Å; E196-M198 VanDerWaalsContact O-N 3.13Å; M198-L294 HydrophobicContact SD-CD2 4.08Å; M198-L294 HydrophobicContact SD-CG 4.41Å; M198-E295 HydrophobicContact CB-CB 4.49Å; M198-E295 HydrophobicContact CE-CB 4.03Å; M198-E295 WeakPolarHBondContact O-CB 3.09Å; M198-E295 PolarHBondContact O-N 3.09Å; M198-I298 HydrophobicContact CE-CD1 3.93Å; M198-I298 HydrophobicContact SD-CD1 4.26Å
199	S	91.1	Very high	87	Confident	80 Å²	80	64.5 Å²	64.5	56%	0.559	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-88.8	-7.6	176.5	51.3	0	0	0	0	113.4	E196 F197 T293	E196-S199 PolarHBondContact O-N 3.36Å; E196-S199 PolarHBondContact O-OG 3.15Å; F197-S199 VanDerWaalsContact C-N 3.29Å; F197-S199 PolarHBondContact O-N 3.32Å; S199-T293 VanDerWaalsContact O-CG2 3.25Å; S199-T293 WeakPolarHBondContact O-CG2 3.39Å
200	K	93.4	Very high	87.8	Confident	86 Å²	86	67.4 Å²	67.4	37%	0.374	34%	0.341	S	S	.	.	S	Bend	trans	-73.4	148.8	174.3	-66.2	-173.4	179.5	-177.2	0	110.8	F197 E204 L205 T293 L294	F197-K200 PolarHBondContact O-N 3.09Å; K200-E204 HydrophobicContact CB-CB 4.48Å; K200-L205 HydrophobicContact CB-CD1 4.03Å; K200-L205 HydrophobicContact CB-CD2 3.86Å; K200-L205 HydrophobicContact CB-CG 3.78Å; K200-L205 HydrophobicContact CD-CD2 3.95Å; K200-L205 HydrophobicContact CG-CD2 4.49Å; K200-T293 WeakPolarHBondContact O-CA 3.2Å; K200-L294 PolarHBondContact O-N 3.26Å
201	S	95.4	Very high	88.8	Confident	17 Å²	17	67.3 Å²	67.3	12%	0.119	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-71.2	159.7	177.2	65.3	0	0	0	0	111.8	E203 E204 L205 E292	S201-E203 PolarHBondContact O-N 2.85Å; S201-E204 WeakPolarHBondContact CB-OE2 3.39Å; S201-E204 PolarHBondContact N-OE2 3.45Å; S201-E204 PolarHBondContact O-N 3.19Å; S201-E204 VanDerWaalsContact OG-CD 3.25Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.88Å; S201-E204 PolarHBondContact OG-OE2 3.35Å; S201-L205 WeakPolarHBondContact O-CG 3.17Å; S201-L205 PolarHBondContact O-N 3.05Å; S201-L205 VanDerWaalsContact O-N 3.15Å; S201-E292 WeakPolarHBondContact CA-O 3.32Å
202	L	93.9	Very high	89.9	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-34.9	176.4	-170.6	71.5	0	0	0	112.4	Q206 I207 Y210 L290 E292 I297 V311 V322	L202-Q206 PolarHBondContact O-N 3.48Å; L202-I207 HydrophobicContact CD1-CB 3.84Å; L202-I207 HydrophobicContact CD1-CG2 4.26Å; L202-I207 VanDerWaalsContact CD1-O 3.3Å; L202-I207 WeakPolarHBondContact CD1-O 3.32Å; L202-Y210 WeakPolarHBondContact CD2-OH 3.46Å; L202-Y210 WeakPolarHBondContact CG-OH 3.34Å; L202-L290 WeakPolarHBondContact CB-O 3.27Å; L202-L290 HydrophobicContact CD2-CD2 4.44Å; L202-L290 PolarHBondContact N-O 3.21Å; L202-E292 PolarHBondContact N-O 3.17Å; L202-I297 HydrophobicContact CB-CD1 3.8Å; L202-I297 HydrophobicContact CD1-CD1 3.71Å; L202-I297 HydrophobicContact CD2-CD1 3.83Å; L202-I297 HydrophobicContact CG-CD1 3.98Å; L202-V311 HydrophobicContact CD2-CG1 4.43Å; L202-V311 HydrophobicContact CD2-CG2 3.85Å; L202-V322 HydrophobicContact CD1-CG1 4.36Å; L202-V322 HydrophobicContact CD1-CG2 3.64Å; L202-V322 HydrophobicContact CD2-CG2 3.41Å; L202-V322 VanDerWaalsContact CD2-CG2 3.41Å; L202-V322 HydrophobicContact CG-CG2 4.05Å
203	E	94.1	Very high	91	Very high	108 Å²	108	63 Å²	63	51%	0.505	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-45.4	175.3	-175.7	159.8	-140.5	0	0	112.3	S201 L205 Q206 L290	S201-E203 PolarHBondContact O-N 2.85Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 2.7Å; E203-Q206 PolarHBondContact O-N 3.05Å; E203-Q206 PolarHBondContact O-NE2 3.26Å; E203-L290 HydrophobicContact CB-CB 4.24Å; E203-L290 PolarHBondContact N-O 3.44Å; E203-L290 VanDerWaalsContact N-O 3.08Å
204	E	93	Very high	91.8	Very high	134 Å²	134	59.2 Å²	59.2	63%	0.626	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-37	178.2	-71.5	164.3	137.9	0	0	112.2	K200 S201	K200-E204 HydrophobicContact CB-CB 4.48Å; S201-E204 WeakPolarHBondContact CB-OE2 3.39Å; S201-E204 PolarHBondContact N-OE2 3.45Å; S201-E204 PolarHBondContact O-N 3.19Å; S201-E204 VanDerWaalsContact OG-CD 3.25Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.88Å; S201-E204 PolarHBondContact OG-OE2 3.35Å
205	L	91.2	Very high	92.6	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-83.6	-13.1	-178.3	-62	172.5	0	0	0	113.4	F197 K200 S201 E203 I207 L294	F197-L205 HydrophobicContact CB-CD2 4.26Å; K200-L205 HydrophobicContact CB-CD1 4.03Å; K200-L205 HydrophobicContact CB-CD2 3.86Å; K200-L205 HydrophobicContact CB-CG 3.78Å; K200-L205 HydrophobicContact CD-CD2 3.95Å; K200-L205 HydrophobicContact CG-CD2 4.49Å; S201-L205 WeakPolarHBondContact O-CG 3.17Å; S201-L205 PolarHBondContact O-N 3.05Å; S201-L205 VanDerWaalsContact O-N 3.15Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 2.7Å; L205-I207 HydrophobicContact CB-CD1 3.67Å; L205-I207 HydrophobicContact CB-CG1 3.74Å; L205-I207 HydrophobicContact CD1-CD1 3.78Å; L205-I207 HydrophobicContact CG-CD1 4.34Å; L205-I207 PolarHBondContact O-N 2.98Å; L205-I207 VanDerWaalsContact O-N 3.14Å; L205-L294 HydrophobicContact CD1-CB 3.77Å; L205-L294 HydrophobicContact CD1-CD2 3.97Å; L205-L294 HydrophobicContact CD1-CG 4.38Å
206	Q	93.6	Very high	93.2	Very high	131 Å²	131	58.7 Å²	58.7	61%	0.612	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.1	-176.6	-65.8	-69.9	-50.8	0	0	113.1	L202 E203	L202-Q206 PolarHBondContact O-N 3.48Å; E203-Q206 PolarHBondContact O-N 3.05Å; E203-Q206 PolarHBondContact O-NE2 3.26Å
207	I	93.6	Very high	93.7	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.056	30%	0.3	C	S	.	.			trans	-85	130.1	179.9	-63.2	169.4	0	0	0	108.7	L202 L205 Y210 L294 V322 D326 I327 A330	L202-I207 HydrophobicContact CD1-CB 3.84Å; L202-I207 HydrophobicContact CD1-CG2 4.26Å; L202-I207 VanDerWaalsContact CD1-O 3.3Å; L202-I207 WeakPolarHBondContact CD1-O 3.32Å; L205-I207 HydrophobicContact CB-CD1 3.67Å; L205-I207 HydrophobicContact CB-CG1 3.74Å; L205-I207 HydrophobicContact CD1-CD1 3.78Å; L205-I207 HydrophobicContact CG-CD1 4.34Å; L205-I207 PolarHBondContact O-N 2.98Å; L205-I207 VanDerWaalsContact O-N 3.14Å; I207-Y210 WeakPolarHBondContact O-CE2 3.48Å; I207-Y210 PolarHBondContact O-OH 3.2Å; I207-L294 HydrophobicContact CD1-CD1 3.93Å; I207-L294 HydrophobicContact CD1-CD2 4.04Å; I207-V322 HydrophobicContact CG2-CG1 4.3Å; I207-D326 HydrophobicContact CG2-CB 3.9Å; I207-I327 HydrophobicContact CG2-CG1 4.38Å; I207-A330 HydrophobicContact CD1-CB 3.41Å; I207-A330 VanDerWaalsContact CD1-CB 3.41Å; I207-A330 HydrophobicContact CG1-CB 3.7Å
208	G	93.8	Very high	94.1	Very high	13 Å²	13	59.2 Å²	59.2	13%	0.134	31%	0.312	C	S	.	.	S	Bend	trans	115.4	-170.2	179.3	0	0	0	0	0	112.7	I321	G208-I321 WeakPolarHBondContact CA-O 3.28Å
209	T	95.4	Very high	94.5	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.362	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-122.1	126	175.7	-54.6	0	0	0	0	108.8	I213 G320 I321	T209-I213 HydrophobicContact CG2-CD1 3.86Å; T209-I213 WeakPolarHBondContact O-CD1 3.25Å; T209-G320 CarbonylContact O-C 3.51Å; T209-G320 WeakPolarHBondContact O-CA 3.44Å; T209-I321 PolarHBondContact N-O 2.83Å; T209-I321 PolarHBondContact O-N 3.34Å
210	Y	95.4	Very high	94.8	Very high	65 Å²	65	61.4 Å²	61.4	26%	0.255	32%	0.322	S	S	.	.			trans	-120.9	-2.6	-173.7	-60.2	-73.6	0	0	0	114.4	L202 I207 L290 V311	L202-Y210 WeakPolarHBondContact CD2-OH 3.46Å; L202-Y210 WeakPolarHBondContact CG-OH 3.34Å; I207-Y210 WeakPolarHBondContact O-CE2 3.48Å; I207-Y210 PolarHBondContact O-OH 3.2Å; Y210-L290 HydrophobicContact CD1-CD2 4.15Å; Y210-L290 HydrophobicContact CE1-CD2 3.39Å; Y210-V311 HydrophobicContact CE1-CB 4.32Å; Y210-V311 HydrophobicContact CE1-CG1 4.2Å; Y210-V311 HydrophobicContact CE1-CG2 4.05Å
211	A	93.7	Very high	94.9	Very high	66 Å²	66	59.6 Å²	59.6	55%	0.545	32%	0.319	S	S	.	.	S	Bend	trans	-127.2	150.6	179.4	0	0	0	0	0	110.2	I213	A211-I213 VanDerWaalsContact C-N 3.27Å; A211-I213 PolarHBondContact O-N 3.32Å
212	N	93.3	Very high	94.9	Very high	160 Å²	160	58.8 Å²	58.8	86%	0.856	31%	0.313	S	S	*	.	S	Bend	trans	51.7	44.4	178.3	-57	-36.2	0	0	0	113	A214	N212-A214 PolarHBondContact O-N 3.36Å
213	I	95.6	Very high	94.9	Very high	28 Å²	28	62.6 Å²	62.6	14%	0.144	33%	0.328	C	S	.	.			trans	-69.2	114.9	179.7	-48.2	-56.1	0	0	0	108.9	T209 A211 M215 P238 V318 I321	T209-I213 HydrophobicContact CG2-CD1 3.86Å; T209-I213 WeakPolarHBondContact O-CD1 3.25Å; A211-I213 VanDerWaalsContact C-N 3.27Å; A211-I213 PolarHBondContact O-N 3.32Å; I213-M215 HydrophobicContact CB-CG 4.38Å; I213-M215 HydrophobicContact CG2-CG 3.92Å; I213-M215 HydrophobicContact CG2-SD 4.39Å; I213-M215 PolarHBondContact O-N 3Å; I213-P238 HydrophobicContact CG2-CG 4.48Å; I213-V318 HydrophobicContact CG2-CG1 4.29Å; I213-I321 HydrophobicContact CG2-CD1 3.73Å; I213-I321 HydrophobicContact CG2-CG1 4Å
214	A	96.2	Very high	95	Very high	15 Å²	15	60.7 Å²	60.7	12%	0.124	32%	0.324	C	S	.	.			trans	-68.8	116.9	174.5	0	0	0	0	0	109.8	N212 I228 H232 V234 L237 P238	N212-A214 PolarHBondContact O-N 3.36Å; A214-I228 HydrophobicContact CB-CG2 3.76Å; A214-H232 HydrophobicContact CB-CB 4.32Å; A214-V234 HydrophobicContact CB-CG2 4.26Å; A214-L237 HydrophobicContact CB-CD2 3.7Å; A214-L237 WeakPolarHBondContact O-CD2 3.44Å; A214-P238 WeakPolarHBondContact O-CD 3.2Å
215	M	96.3	Very high	95.2	Very high	76 Å²	76	54.3 Å²	54.3	37%	0.374	29%	0.294	S	S	.	.			trans	-133.3	163.1	-176.4	-62.2	-179.7	-73.8	0	0	110.7	I213 P238 V240 V318	I213-M215 HydrophobicContact CB-CG 4.38Å; I213-M215 HydrophobicContact CG2-CG 3.92Å; I213-M215 HydrophobicContact CG2-SD 4.39Å; I213-M215 PolarHBondContact O-N 3Å; M215-P238 WeakPolarHBondContact CA-O 3.14Å; M215-P238 HydrophobicContact CG-CB 4.15Å; M215-P238 HydrophobicContact CG-CG 4.2Å; M215-V240 HydrophobicContact SD-CG1 3.85Å; M215-V318 HydrophobicContact SD-CB 3.78Å; M215-V318 HydrophobicContact SD-CG1 3.85Å; M215-V318 HydrophobicContact SD-CG2 4.07Å
216	V	97.1	Very high	95.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.3	175.9	-65	0	0	0	0	110.7	T220 A225 I228 L237 P238 V239 V240 V271	V216-T220 HydrophobicContact CB-CG2 4.05Å; V216-T220 HydrophobicContact CG1-CG2 4.02Å; V216-A225 HydrophobicContact CG1-CB 4.15Å; V216-I228 HydrophobicContact CG1-CD1 3.66Å; V216-L237 HydrophobicContact CG1-CB 4.31Å; V216-L237 HydrophobicContact CG1-CD1 3.83Å; V216-L237 HydrophobicContact CG2-CB 4.22Å; V216-P238 PolarHBondContact N-O 3.49Å; V216-V239 HydrophobicContact CG2-CB 4.37Å; V216-V239 HydrophobicContact CG2-CG1 4.5Å; V216-V239 HydrophobicContact CG2-CG2 3.85Å; V216-V239 CarbonylContact O-C 3.56Å; V216-V239 WeakPolarHBondContact O-CA 3.49Å; V216-V240 PolarHBondContact O-N 3.12Å; V216-V271 HydrophobicContact CG2-CG1 4.45Å; V216-V271 HydrophobicContact CG2-CG2 4.13Å
217	R	97.3	Very high	95.5	Very high	118 Å²	118	47.7 Å²	47.7	45%	0.445	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	162.9	172	-59.3	-74.8	-167.8	168.7	8	109.8	T219 T220 D241 E242 V271	R217-T219 PolarHBondContact O-N 3.44Å; R217-T220 PolarHBondContact N-OG1 3.11Å; R217-T220 VanDerWaalsContact O-CB 3.31Å; R217-T220 WeakPolarHBondContact O-CB 3.47Å; R217-T220 PolarHBondContact O-N 3.33Å; R217-T220 PolarHBondContact O-OG1 3.48Å; R217-D241 PolarHBondContact NH1-O 3.07Å; R217-E242 VanDerWaalsContact NH1-C 3.32Å; R217-E242 PolarHBondContact NH1-O 2.91Å; R217-V271 VanDerWaalsContact O-CG2 3.25Å; R217-V271 WeakPolarHBondContact O-CG2 3.32Å
218	T	94.6	Very high	95.6	Very high	52 Å²	52	48.5 Å²	48.5	32%	0.319	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.5	174.9	53.7	0	0	0	0	113.5	V239 V247 S270 T272	T218-V239 HydrophobicContact CG2-CG1 3.96Å; T218-V247 HydrophobicContact CG2-CG2 3.64Å; T218-S270 WeakPolarHBondContact O-CB 3.49Å; T218-T272 WeakPolarHBondContact CA-OG1 2.97Å; T218-T272 WeakPolarHBondContact CB-OG1 3.15Å; T218-T272 PolarHBondContact O-OG1 3.48Å
219	T	96.1	Very high	95.6	Very high	110 Å²	110	48 Å²	48	68%	0.675	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.1	179.6	55.8	0	0	0	0	113.8	R217	R217-T219 PolarHBondContact O-N 3.44Å
220	T	97.2	Very high	95.5	Very high	22 Å²	22	47.5 Å²	47.5	14%	0.135	26%	0.259	C	S	.	.			trans	-61.1	128.9	-178.3	-62.7	0	0	0	0	110.3	V216 R217 V224 S270 V271	V216-T220 HydrophobicContact CB-CG2 4.05Å; V216-T220 HydrophobicContact CG1-CG2 4.02Å; R217-T220 PolarHBondContact N-OG1 3.11Å; R217-T220 VanDerWaalsContact O-CB 3.31Å; R217-T220 WeakPolarHBondContact O-CB 3.47Å; R217-T220 PolarHBondContact O-N 3.33Å; R217-T220 PolarHBondContact O-OG1 3.48Å; T220-V224 HydrophobicContact CG2-CB 3.84Å; T220-V224 HydrophobicContact CG2-CG1 3.83Å; T220-S270 CarbonylContact O-C 3.59Å; T220-S270 WeakPolarHBondContact O-CA 3.09Å; T220-V271 WeakPolarHBondContact O-CG1 3.32Å; T220-V271 PolarHBondContact O-N 2.88Å
221	P	96.3	Very high	95.3	Very high	47 Å²	47	51.1 Å²	51.1	31%	0.305	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-62.3	146.9	176.1	-23.8	33.9	0	0	0	112.3	Y223 V224 A225 V269	P221-Y223 PolarHBondContact O-N 2.94Å; P221-V224 HydrophobicContact CB-CG2 4.21Å; P221-V224 HydrophobicContact CG-CG2 4.21Å; P221-V224 PolarHBondContact O-N 2.96Å; P221-V224 VanDerWaalsContact O-N 3.1Å; P221-A225 PolarHBondContact O-N 2.79Å; P221-V269 CarbonylContact C-O 3.54Å; P221-V269 WeakPolarHBondContact CA-O 3.22Å
222	V	95.4	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.2	-43.2	176.3	168.7	0	0	0	0	110.9	V224 A225 L226 L258 L267 V269 V271 A274	V222-V224 VanDerWaalsContact C-N 3.29Å; V222-V224 PolarHBondContact O-N 3.16Å; V222-A225 CarbonylContact O-C 3.54Å; V222-A225 WeakPolarHBondContact O-CA 3.46Å; V222-A225 WeakPolarHBondContact O-CB 3.35Å; V222-A225 PolarHBondContact O-N 2.74Å; V222-L226 HydrophobicContact CG1-CD1 4.37Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 WeakPolarHBondContact O-CG 3.5Å; V222-L226 PolarHBondContact O-N 3.33Å; V222-L258 HydrophobicContact CG1-CD1 3.94Å; V222-L267 HydrophobicContact CG1-CD2 4.18Å; V222-L267 PolarHBondContact N-O 2.98Å; V222-V269 HydrophobicContact CG2-CG2 4.02Å; V222-V269 WeakPolarHBondContact CG2-O 3.19Å; V222-V269 PolarHBondContact N-O 3.45Å; V222-V271 HydrophobicContact CG2-CG1 4.47Å; V222-A274 HydrophobicContact CG2-CB 3.6Å
223	Y	94.8	Very high	94.9	Very high	81 Å²	81	53.5 Å²	53.5	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-54.3	-43.1	177.6	175.2	-105.8	0	0	0	113	H105 Y108 P221 L226 G227 L267	H105-Y223 AromaticContact CD2-CE2 3.75Å; Y108-Y223 AromaticContact CD1-CD2 3.29Å; Y108-Y223 HydrophobicContact CD1-CD2 3.29Å; Y108-Y223 AromaticContact CD1-CE2 3.71Å; Y108-Y223 HydrophobicContact CD1-CE2 3.71Å; Y108-Y223 AromaticContact CD1-CG 3.78Å; Y108-Y223 HydrophobicContact CD1-CG 3.78Å; Y108-Y223 HydrophobicContact CE1-CD2 4.04Å; Y108-Y223 HydrophobicContact CE1-CG 4.06Å; Y108-Y223 AromaticContact CG-CD2 3.96Å; Y108-Y223 HydrophobicContact CG-CD2 3.96Å; Y108-Y223 HydrophobicContact CG-CE2 4.32Å; P221-Y223 PolarHBondContact O-N 2.94Å; Y223-L226 WeakPolarHBondContact O-CB 3.37Å; Y223-L226 PolarHBondContact O-N 3.28Å; Y223-G227 PolarHBondContact O-N 2.97Å; Y223-L267 PolarHBondContact N-O 3.33Å
224	V	96.3	Very high	94.7	Very high	67 Å²	67	54.3 Å²	54.3	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-42.8	177.2	177.8	0	0	0	0	110.5	T220 P221 V222 L226 G227 I228	T220-V224 HydrophobicContact CG2-CB 3.84Å; T220-V224 HydrophobicContact CG2-CG1 3.83Å; P221-V224 HydrophobicContact CB-CG2 4.21Å; P221-V224 HydrophobicContact CG-CG2 4.21Å; P221-V224 PolarHBondContact O-N 2.96Å; P221-V224 VanDerWaalsContact O-N 3.1Å; V222-V224 VanDerWaalsContact C-N 3.29Å; V222-V224 PolarHBondContact O-N 3.16Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 2.6Å; V224-G227 PolarHBondContact O-N 3.3Å; V224-G227 VanDerWaalsContact O-N 3.16Å; V224-I228 HydrophobicContact CG1-CD1 4.38Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 3.3Å
225	A	96.4	Very high	94.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-38.3	175	0	0	0	0	0	112.5	V216 P221 V222 I228 F229 L237 Y250 V271	V216-A225 HydrophobicContact CG1-CB 4.15Å; P221-A225 PolarHBondContact O-N 2.79Å; V222-A225 CarbonylContact O-C 3.54Å; V222-A225 WeakPolarHBondContact O-CA 3.46Å; V222-A225 WeakPolarHBondContact O-CB 3.35Å; V222-A225 PolarHBondContact O-N 2.74Å; A225-I228 PolarHBondContact O-N 3.04Å; A225-F229 VanDerWaalsContact O-CD2 3.27Å; A225-F229 WeakPolarHBondContact O-CD2 3.14Å; A225-F229 PolarHBondContact O-N 3.21Å; A225-L237 HydrophobicContact CB-CD1 4Å; A225-Y250 HydrophobicContact CB-CD1 4.02Å; A225-Y250 HydrophobicContact CB-CE1 4.11Å; A225-V271 HydrophobicContact CB-CG1 3.85Å
226	L	95.1	Very high	94.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173	-60.9	-178.3	0	0	0	111.4	I101 L104 H105 V222 Y223 V224 I228 F229 V230 V255 L267	I101-L226 HydrophobicContact CB-CD2 4.4Å; I101-L226 HydrophobicContact CG1-CD2 4Å; I101-L226 HydrophobicContact CG2-CB 4.28Å; I101-L226 HydrophobicContact CG2-CD2 3.98Å; L104-L226 HydrophobicContact CB-CD1 3.79Å; L104-L226 HydrophobicContact CD1-CD1 4.16Å; H105-L226 HydrophobicContact CB-CB 4.26Å; V222-L226 HydrophobicContact CG1-CD1 4.37Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 WeakPolarHBondContact O-CG 3.5Å; V222-L226 PolarHBondContact O-N 3.33Å; Y223-L226 WeakPolarHBondContact O-CB 3.37Å; Y223-L226 PolarHBondContact O-N 3.28Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 2.6Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 PolarHBondContact O-N 2.91Å; L226-F229 HydrophobicContact CD2-CD2 4.45Å; L226-F229 WeakPolarHBondContact O-CB 3.33Å; L226-F229 PolarHBondContact O-N 3.09Å; L226-F229 VanDerWaalsContact O-N 3.15Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.12Å; L226-V255 HydrophobicContact CD2-CB 4.41Å; L226-V255 HydrophobicContact CD2-CG1 3.67Å; L226-V255 HydrophobicContact CD2-CG2 3.78Å; L226-L267 HydrophobicContact CD1-CD1 3.82Å
227	G	95.3	Very high	94.2	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-42.7	175.1	0	0	0	0	0	112.7	H105 Y223 V224 F229 V230 Q231	H105-G227 VanDerWaalsContact CD2-CA 3.43Å; H105-G227 WeakPolarHBondContact CD2-CA 3.32Å; H105-G227 PolarHBondContact CD2-N 3.07Å; H105-G227 VanDerWaalsContact NE2-CA 3.27Å; H105-G227 WeakPolarHBondContact NE2-CA 3.47Å; Y223-G227 PolarHBondContact O-N 2.97Å; V224-G227 PolarHBondContact O-N 3.3Å; V224-G227 VanDerWaalsContact O-N 3.16Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.41Å; G227-V230 PolarHBondContact O-N 2.83Å; G227-Q231 WeakPolarHBondContact O-CB 3.39Å; G227-Q231 VanDerWaalsContact O-CG 3.32Å; G227-Q231 WeakPolarHBondContact O-CG 3.33Å; G227-Q231 PolarHBondContact O-N 3.14Å
228	I	96.3	Very high	94.1	Very high	29 Å²	29	45.8 Å²	45.8	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-41.6	175.5	-61.6	167.4	0	0	0	110.9	A214 V216 V224 A225 L226 V230 Q231 H232 L237	A214-I228 HydrophobicContact CB-CG2 3.76Å; V216-I228 HydrophobicContact CG1-CD1 3.66Å; V224-I228 HydrophobicContact CG1-CD1 4.38Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 3.3Å; A225-I228 PolarHBondContact O-N 3.04Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 PolarHBondContact O-N 2.91Å; I228-V230 VanDerWaalsContact C-N 3.34Å; I228-V230 PolarHBondContact O-N 3.01Å; I228-Q231 PolarHBondContact O-N 3.19Å; I228-H232 WeakPolarHBondContact O-CB 3.18Å; I228-H232 PolarHBondContact O-N 3.33Å; I228-H232 PolarHBondContact O-ND1 3.05Å; I228-L237 HydrophobicContact CB-CD1 4.09Å; I228-L237 HydrophobicContact CB-CD2 4.48Å; I228-L237 HydrophobicContact CG2-CD1 4.06Å; I228-L237 HydrophobicContact CG2-CD2 3.57Å; I228-L237 HydrophobicContact CG2-CG 4.49Å
229	F	94.7	Very high	94.2	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-40.2	174.9	-77.2	-51.6	0	0	0	113.2	I101 A225 L226 G227 R233 V234 L237 Y250 K252 V255	I101-F229 HydrophobicContact CD1-CD2 4.3Å; I101-F229 HydrophobicContact CG2-CB 4Å; A225-F229 VanDerWaalsContact O-CD2 3.27Å; A225-F229 WeakPolarHBondContact O-CD2 3.14Å; A225-F229 PolarHBondContact O-N 3.21Å; L226-F229 HydrophobicContact CD2-CD2 4.45Å; L226-F229 WeakPolarHBondContact O-CB 3.33Å; L226-F229 PolarHBondContact O-N 3.09Å; L226-F229 VanDerWaalsContact O-N 3.15Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.41Å; F229-R233 VanDerWaalsContact O-CA 3.28Å; F229-R233 WeakPolarHBondContact O-CA 3.34Å; F229-R233 PolarHBondContact O-N 3.47Å; F229-R233 VanDerWaalsContact O-N 3.1Å; F229-V234 HydrophobicContact CD1-CG2 4.06Å; F229-V234 WeakPolarHBondContact CD1-O 3.39Å; F229-V234 HydrophobicContact CE1-CG2 4.38Å; F229-L237 HydrophobicContact CD1-CD1 4.29Å; F229-L237 HydrophobicContact CD1-CG 4.22Å; F229-L237 HydrophobicContact CD2-CD1 4.28Å; F229-L237 HydrophobicContact CE1-CD1 3.99Å; F229-L237 HydrophobicContact CE1-CD2 4.35Å; F229-L237 HydrophobicContact CE1-CG 3.65Å; F229-L237 HydrophobicContact CE2-CD1 3.98Å; F229-L237 HydrophobicContact CE2-CG 4.44Å; F229-L237 HydrophobicContact CG-CD1 4.42Å; F229-L237 HydrophobicContact CZ-CD1 3.83Å; F229-L237 HydrophobicContact CZ-CG 3.78Å; F229-Y250 AromaticContact CE2-CD1 3.83Å; F229-Y250 HydrophobicContact CE2-CD1 3.83Å; F229-Y250 AromaticContact CE2-CE1 3.98Å; F229-Y250 HydrophobicContact CE2-CE1 3.98Å; F229-Y250 HydrophobicContact CZ-CD1 4.22Å; F229-Y250 WeakPolarHBondContact CZ-O 3.41Å; F229-K252 HydrophobicContact CD1-CG 3.92Å; F229-K252 HydrophobicContact CE1-CG 3.87Å; F229-K252 HydrophobicContact CG-CG 4.31Å; F229-K252 HydrophobicContact CZ-CG 4.22Å; F229-V255 HydrophobicContact CE2-CG2 4.2Å
230	V	91.3	Very high	94.2	Very high	48 Å²	48	38.4 Å²	38.4	29%	0.291	19%	0.192	S	C	.	.	H	α-helix	trans	-66.9	-45.8	178.5	174.5	0	0	0	0	110.4	I101 H105 L226 G227 I228	I101-V230 HydrophobicContact CG2-CG2 4.04Å; H105-V230 HydrophobicContact CB-CG2 4.05Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.12Å; G227-V230 PolarHBondContact O-N 2.83Å; I228-V230 VanDerWaalsContact C-N 3.34Å; I228-V230 PolarHBondContact O-N 3.01Å
231	Q	91.4	Very high	94.2	Very high	141 Å²	141	38.6 Å²	38.6	66%	0.659	19%	0.192	S	C	*	.	H	α-helix	trans	-70.7	-53.9	-176.8	-70.7	173.1	-1.9	0	0	112.7	G227 I228	G227-Q231 WeakPolarHBondContact O-CB 3.39Å; G227-Q231 VanDerWaalsContact O-CG 3.32Å; G227-Q231 WeakPolarHBondContact O-CG 3.33Å; G227-Q231 PolarHBondContact O-N 3.14Å; I228-Q231 PolarHBondContact O-N 3.19Å
232	H	90.8	Very high	94	Very high	100 Å²	100	45 Å²	45	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-87.5	-10	-171.8	-63.9	77.7	0	0	0	112.8	A214 I228 V234	A214-H232 HydrophobicContact CB-CB 4.32Å; I228-H232 WeakPolarHBondContact O-CB 3.18Å; I228-H232 PolarHBondContact O-N 3.33Å; I228-H232 PolarHBondContact O-ND1 3.05Å; H232-V234 HydrophobicContact CB-CG1 4Å; H232-V234 HydrophobicContact CB-CG2 4.2Å; H232-V234 PolarHBondContact O-N 3.46Å
233	R	88.1	Confident	94	Very high	175 Å²	175	52.7 Å²	52.7	66%	0.66	25%	0.251	S	S	*	.			trans	52	23.7	-176.8	-60.2	-174.4	177.6	175.8	5.1	114.1	F229	F229-R233 VanDerWaalsContact O-CA 3.28Å; F229-R233 WeakPolarHBondContact O-CA 3.34Å; F229-R233 PolarHBondContact O-N 3.47Å; F229-R233 VanDerWaalsContact O-N 3.1Å
234	V	91.1	Very high	93.9	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	25%	0.246	S	C	.	.			trans	-75.7	165.8	176.2	-64.7	0	0	0	0	110.9	A214 F229 H232 L237 K252	A214-V234 HydrophobicContact CB-CG2 4.26Å; F229-V234 HydrophobicContact CD1-CG2 4.06Å; F229-V234 WeakPolarHBondContact CD1-O 3.39Å; F229-V234 HydrophobicContact CE1-CG2 4.38Å; H232-V234 HydrophobicContact CB-CG1 4Å; H232-V234 HydrophobicContact CB-CG2 4.2Å; H232-V234 PolarHBondContact O-N 3.46Å; V234-L237 HydrophobicContact CG2-CD2 3.56Å; V234-K252 WeakPolarHBondContact O-CE 3.18Å; V234-K252 PolarHBondContact O-NZ 3.44Å
235	S	89.9	Confident	93.9	Very high	29 Å²	29	51.6 Å²	51.6	20%	0.203	25%	0.246	C	C	.	.	S	Bend	trans	-107.3	-14.6	-171.4	54.8	0	0	0	0	113.3	K252 R308	S235-K252 PolarHBondContact O-N 2.98Å; S235-K252 VanDerWaalsContact O-N 3.11Å; S235-R308 PolarHBondContact O-NH2 2.8Å; S235-R308 PolarHBondContact OG-NH2 3.14Å
236	A	93.4	Very high	93.8	Very high	5 Å²	5	52 Å²	52	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	161.6	168.2	0	0	0	0	0	110.4	I249 Y250	A236-I249 HydrophobicContact CB-CD1 3.95Å; A236-I249 HydrophobicContact CB-CG1 3.95Å; A236-Y250 CarbonylContact C-O 3.57Å; A236-Y250 WeakPolarHBondContact CA-O 3.5Å
237	L	96.1	Very high	93.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.5	179.9	-58.3	172.3	0	0	0	107.7	A214 V216 A225 I228 F229 V234 V239 Y250	A214-L237 HydrophobicContact CB-CD2 3.7Å; A214-L237 WeakPolarHBondContact O-CD2 3.44Å; V216-L237 HydrophobicContact CG1-CB 4.31Å; V216-L237 HydrophobicContact CG1-CD1 3.83Å; V216-L237 HydrophobicContact CG2-CB 4.22Å; A225-L237 HydrophobicContact CB-CD1 4Å; I228-L237 HydrophobicContact CB-CD1 4.09Å; I228-L237 HydrophobicContact CB-CD2 4.48Å; I228-L237 HydrophobicContact CG2-CD1 4.06Å; I228-L237 HydrophobicContact CG2-CD2 3.57Å; I228-L237 HydrophobicContact CG2-CG 4.49Å; F229-L237 HydrophobicContact CD1-CD1 4.29Å; F229-L237 HydrophobicContact CD1-CG 4.22Å; F229-L237 HydrophobicContact CD2-CD1 4.28Å; F229-L237 HydrophobicContact CE1-CD1 3.99Å; F229-L237 HydrophobicContact CE1-CD2 4.35Å; F229-L237 HydrophobicContact CE1-CG 3.65Å; F229-L237 HydrophobicContact CE2-CD1 3.98Å; F229-L237 HydrophobicContact CE2-CG 4.44Å; F229-L237 HydrophobicContact CG-CD1 4.42Å; F229-L237 HydrophobicContact CZ-CD1 3.83Å; F229-L237 HydrophobicContact CZ-CG 3.78Å; V234-L237 HydrophobicContact CG2-CD2 3.56Å; L237-V239 PolarHBondContact O-N 3.03Å; L237-Y250 PolarHBondContact N-O 2.88Å; L237-Y250 PolarHBondContact O-N 3.4Å
238	P	96.5	Very high	93.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	134.7	167.2	-21.5	33.5	0	0	0	110	I213 A214 M215 V216 V246 V310 V318 I321	I213-P238 HydrophobicContact CG2-CG 4.48Å; A214-P238 WeakPolarHBondContact O-CD 3.2Å; M215-P238 WeakPolarHBondContact CA-O 3.14Å; M215-P238 HydrophobicContact CG-CB 4.15Å; M215-P238 HydrophobicContact CG-CG 4.2Å; V216-P238 PolarHBondContact N-O 3.49Å; P238-V246 HydrophobicContact CB-CG2 4.26Å; P238-V310 HydrophobicContact CG-CG1 4.42Å; P238-V310 HydrophobicContact CG-CG2 4.28Å; P238-V318 HydrophobicContact CB-CG2 4.23Å; P238-I321 HydrophobicContact CG-CD1 3.74Å; P238-I321 HydrophobicContact CG-CG1 4.28Å
239	V	96.5	Very high	93.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.3	172.2	-171.6	0	0	0	0	107.1	V216 T218 L237 V247 D248 V271 L275	V216-V239 HydrophobicContact CG2-CB 4.37Å; V216-V239 HydrophobicContact CG2-CG1 4.5Å; V216-V239 HydrophobicContact CG2-CG2 3.85Å; V216-V239 CarbonylContact O-C 3.56Å; V216-V239 WeakPolarHBondContact O-CA 3.49Å; T218-V239 HydrophobicContact CG2-CG1 3.96Å; L237-V239 PolarHBondContact O-N 3.03Å; V239-V247 HydrophobicContact CB-CG2 4.36Å; V239-V247 HydrophobicContact CG1-CG2 4.06Å; V239-V247 WeakPolarHBondContact O-CG2 3.47Å; V239-V247 PolarHBondContact O-N 3.36Å; V239-D248 WeakPolarHBondContact CA-O 3.43Å; V239-D248 HydrophobicContact CB-CB 3.88Å; V239-D248 WeakPolarHBondContact CB-O 3.48Å; V239-D248 HydrophobicContact CG2-CB 3.99Å; V239-D248 PolarHBondContact N-O 2.84Å; V239-D248 PolarHBondContact O-N 2.97Å; V239-V271 HydrophobicContact CG1-CG2 4.2Å; V239-V271 HydrophobicContact CG2-CG2 4.35Å; V239-L275 HydrophobicContact CG2-CD1 4.22Å
240	V	96.3	Very high	93.5	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.3	-175.1	-59.7	0	0	0	0	112.6	M215 V216 R245 V318	M215-V240 HydrophobicContact SD-CG1 3.85Å; V216-V240 PolarHBondContact O-N 3.12Å; V240-R245 CarbonylContact C-O 3.53Å; V240-R245 WeakPolarHBondContact CA-O 3.38Å; V240-V318 HydrophobicContact CG1-CG2 3.74Å
241	D	95.1	Very high	93.5	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.139	26%	0.259	C	S	.	.			trans	-77.7	-176.2	170.9	77.3	2.4	0	0	0	112.2	R217 K243 G244 R245 V247	R217-D241 PolarHBondContact NH1-O 3.07Å; D241-K243 PolarHBondContact O-N 3.43Å; D241-K243 WeakPolarHBondContact OD1-CA 3.38Å; D241-K243 WeakPolarHBondContact OD1-CB 3.5Å; D241-K243 PolarHBondContact OD1-N 3.41Å; D241-G244 PolarHBondContact O-N 3.27Å; D241-G244 VanDerWaalsContact O-N 3.13Å; D241-G244 PolarHBondContact OD1-N 3.17Å; D241-R245 PolarHBondContact N-O 3.46Å; D241-R245 PolarHBondContact OD1-N 3.14Å; D241-R245 IonicContact OD1-NE 2.75Å; D241-R245 IonicContact OD2-CZ 3.77Å; D241-R245 IonicContact OD2-NE 3.42Å; D241-R245 PolarHBondContact OD2-NE 2.96Å; D241-R245 IonicContact OD2-NH2 2.77Å; D241-R245 PolarHBondContact OD2-NH2 3.15Å; D241-V247 HydrophobicContact CB-CG1 4.04Å
242	E	94.1	Very high	93.5	Very high	180 Å²	180	48.8 Å²	48.8	84%	0.841	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.7	178.8	-71	179.7	179.2	0	0	113.3	R217 G244	R217-E242 VanDerWaalsContact NH1-C 3.32Å; R217-E242 PolarHBondContact NH1-O 2.91Å; E242-G244 VanDerWaalsContact C-N 3.29Å; E242-G244 PolarHBondContact O-N 2.97Å
243	K	94.1	Very high	93.2	Very high	163 Å²	163	47.8 Å²	47.8	71%	0.709	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.7	-178.7	-60.7	-177.2	179.2	-176.8	0	113.1	D241 R245	D241-K243 PolarHBondContact O-N 3.43Å; D241-K243 WeakPolarHBondContact OD1-CA 3.38Å; D241-K243 WeakPolarHBondContact OD1-CB 3.5Å; D241-K243 PolarHBondContact OD1-N 3.41Å; K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 HydrophobicContact CB-CG 4.25Å
244	G	93.2	Very high	93.2	Very high	20 Å²	20	39.8 Å²	39.8	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	81.8	12.1	-179.2	0	0	0	0	0	114.1	D241 E242 V317 V318	D241-G244 PolarHBondContact O-N 3.27Å; D241-G244 VanDerWaalsContact O-N 3.13Å; D241-G244 PolarHBondContact OD1-N 3.17Å; E242-G244 VanDerWaalsContact C-N 3.29Å; E242-G244 PolarHBondContact O-N 2.97Å; G244-V317 WeakPolarHBondContact O-CA 3.11Å; G244-V318 PolarHBondContact O-N 2.99Å
245	R	95.6	Very high	93.2	Very high	105 Å²	105	37.6 Å²	37.6	40%	0.396	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-80.7	137.8	177.9	-54.8	-177.6	-66	169.8	6.6	110.5	V240 D241 K243 V247 N315 D316 V317	V240-R245 CarbonylContact C-O 3.53Å; V240-R245 WeakPolarHBondContact CA-O 3.38Å; D241-R245 PolarHBondContact N-O 3.46Å; D241-R245 PolarHBondContact OD1-N 3.14Å; D241-R245 IonicContact OD1-NE 2.75Å; D241-R245 IonicContact OD2-CZ 3.77Å; D241-R245 IonicContact OD2-NE 3.42Å; D241-R245 PolarHBondContact OD2-NE 2.96Å; D241-R245 IonicContact OD2-NH2 2.77Å; D241-R245 PolarHBondContact OD2-NH2 3.15Å; K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 HydrophobicContact CB-CG 4.25Å; R245-V247 PolarHBondContact O-N 3.05Å; R245-N315 WeakPolarHBondContact CD-O 3.38Å; R245-N315 WeakPolarHBondContact CG-O 3.43Å; R245-D316 CarbonylContact C-O 3.29Å; R245-D316 VanDerWaalsContact CA-O 3.24Å; R245-D316 WeakPolarHBondContact CA-O 3.37Å; R245-D316 HydrophobicContact CB-CB 4.19Å; R245-V317 HydrophobicContact CG-CG2 4.06Å
246	V	95.3	Very high	93	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.5	179.4	68.5	0	0	0	0	110.9	P238 V285 K287 V310 V312 D316 V318	P238-V246 HydrophobicContact CB-CG2 4.26Å; V246-V285 HydrophobicContact CG2-CB 4.38Å; V246-V285 HydrophobicContact CG2-CG1 3.96Å; V246-V285 HydrophobicContact CG2-CG2 4.25Å; V246-K287 HydrophobicContact CG1-CD 4.09Å; V246-V310 HydrophobicContact CB-CG1 4.47Å; V246-V310 HydrophobicContact CG2-CG1 4.31Å; V246-V312 HydrophobicContact CG1-CG1 3.73Å; V246-D316 PolarHBondContact N-O 3.22Å; V246-V318 HydrophobicContact CB-CG2 3.75Å; V246-V318 HydrophobicContact CG2-CG2 4.35Å
247	V	93.6	Very high	92.4	Very high	69 Å²	69	38.3 Å²	38.3	42%	0.418	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-31	179	-63.2	0	0	0	0	112.5	T218 V239 D241 R245	T218-V247 HydrophobicContact CG2-CG2 3.64Å; V239-V247 HydrophobicContact CB-CG2 4.36Å; V239-V247 HydrophobicContact CG1-CG2 4.06Å; V239-V247 WeakPolarHBondContact O-CG2 3.47Å; V239-V247 PolarHBondContact O-N 3.36Å; D241-V247 HydrophobicContact CB-CG1 4.04Å; R245-V247 PolarHBondContact O-N 3.05Å
248	D	93.4	Very high	91.8	Very high	29 Å²	29	38.7 Å²	38.7	16%	0.155	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	179	176.4	-146.6	-34.8	0	0	0	110.9	V239 L275 R278 F282	V239-D248 WeakPolarHBondContact CA-O 3.43Å; V239-D248 HydrophobicContact CB-CB 3.88Å; V239-D248 WeakPolarHBondContact CB-O 3.48Å; V239-D248 HydrophobicContact CG2-CB 3.99Å; V239-D248 PolarHBondContact N-O 2.84Å; V239-D248 PolarHBondContact O-N 2.97Å; D248-L275 HydrophobicContact CB-CD1 4.09Å; D248-R278 IonicContact OD1-NH1 3.71Å; D248-R278 PolarHBondContact OD1-NH1 2.72Å; D248-F282 WeakPolarHBondContact OD1-CE1 3.48Å; D248-F282 VanDerWaalsContact OD1-CZ 3.3Å; D248-F282 WeakPolarHBondContact OD1-CZ 3.35Å
249	I	93.3	Very high	91	Very high	20 Å²	20	38.8 Å²	38.8	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.8	174.7	-170	169.2	0	0	0	110.2	A236 R278 F282 V285 R308 V310	A236-I249 HydrophobicContact CB-CD1 3.95Å; A236-I249 HydrophobicContact CB-CG1 3.95Å; I249-R278 PolarHBondContact O-NH1 2.85Å; I249-R278 PolarHBondContact O-NH2 3.38Å; I249-F282 HydrophobicContact CG2-CE2 4.38Å; I249-F282 HydrophobicContact CG2-CZ 4.24Å; I249-V285 HydrophobicContact CB-CG1 4.28Å; I249-V285 HydrophobicContact CB-CG2 4.18Å; I249-V285 HydrophobicContact CG2-CG1 4.42Å; I249-V285 HydrophobicContact CG2-CG2 4.18Å; I249-R308 HydrophobicContact CD1-CG 4.19Å; I249-V310 HydrophobicContact CD1-CG2 4.16Å
250	Y	94	Very high	90	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.1	174.8	-166.2	-113.8	0	0	0	109.5	A225 F229 A236 L237 D254 V255 V271 A274 L275	A225-Y250 HydrophobicContact CB-CD1 4.02Å; A225-Y250 HydrophobicContact CB-CE1 4.11Å; F229-Y250 AromaticContact CE2-CD1 3.83Å; F229-Y250 HydrophobicContact CE2-CD1 3.83Å; F229-Y250 AromaticContact CE2-CE1 3.98Å; F229-Y250 HydrophobicContact CE2-CE1 3.98Å; F229-Y250 HydrophobicContact CZ-CD1 4.22Å; F229-Y250 WeakPolarHBondContact CZ-O 3.41Å; A236-Y250 CarbonylContact C-O 3.57Å; A236-Y250 WeakPolarHBondContact CA-O 3.5Å; L237-Y250 PolarHBondContact N-O 2.88Å; L237-Y250 PolarHBondContact O-N 3.4Å; Y250-D254 HydrophobicContact CD2-CB 4.07Å; Y250-D254 HydrophobicContact CE2-CB 3.81Å; Y250-V255 HydrophobicContact CE1-CG2 3.94Å; Y250-V271 HydrophobicContact CD1-CG1 4.11Å; Y250-V271 HydrophobicContact CD2-CB 4.35Å; Y250-V271 HydrophobicContact CD2-CG1 4.47Å; Y250-V271 HydrophobicContact CE1-CG1 4.38Å; Y250-V271 HydrophobicContact CG-CB 4.34Å; Y250-V271 HydrophobicContact CG-CG1 4.15Å; Y250-A274 HydrophobicContact CE2-CB 4.23Å; Y250-L275 HydrophobicContact CD2-CD1 4.05Å; Y250-L275 HydrophobicContact CD2-CD2 3.82Å; Y250-L275 HydrophobicContact CD2-CG 3.79Å; Y250-L275 HydrophobicContact CE2-CD2 4.46Å; Y250-L275 HydrophobicContact CE2-CG 4.39Å
251	S	92.2	Very high	89.1	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	161.5	-176.2	80.1	0	0	0	0	112.2	F253 D254	S251-F253 PolarHBondContact O-N 3.45Å; S251-F253 VanDerWaalsContact O-N 3.09Å; S251-F253 WeakPolarHBondContact OG-CB 3.33Å; S251-F253 PolarHBondContact OG-N 2.97Å; S251-D254 WeakPolarHBondContact CA-OD2 3.44Å; S251-D254 VanDerWaalsContact CB-OD2 3.28Å; S251-D254 WeakPolarHBondContact CB-OD2 3.17Å; S251-D254 PolarHBondContact N-OD2 3.02Å; S251-D254 PolarHBondContact O-N 3.11Å; S251-D254 PolarHBondContact OG-OD2 3.37Å
252	K	89.9	Confident	88.4	Confident	29 Å²	29	49.7 Å²	49.7	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-54.6	-29.4	170.3	-69.3	-169.9	162.5	167.2	0	112.3	I97 T98 I101 F229 V234 S235 D254 V255	I97-K252 WeakPolarHBondContact CG2-O 3.42Å; T98-K252 PolarHBondContact OG1-NZ 2.98Å; T98-K252 VanDerWaalsContact OG1-NZ 3.14Å; I101-K252 HydrophobicContact CD1-CB 3.81Å; I101-K252 HydrophobicContact CD1-CD 3.84Å; I101-K252 HydrophobicContact CD1-CG 3.48Å; I101-K252 VanDerWaalsContact CD1-CG 3.48Å; F229-K252 HydrophobicContact CD1-CG 3.92Å; F229-K252 HydrophobicContact CE1-CG 3.87Å; F229-K252 HydrophobicContact CG-CG 4.31Å; F229-K252 HydrophobicContact CZ-CG 4.22Å; V234-K252 WeakPolarHBondContact O-CE 3.18Å; V234-K252 PolarHBondContact O-NZ 3.44Å; S235-K252 PolarHBondContact O-N 2.98Å; S235-K252 VanDerWaalsContact O-N 3.11Å; K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 PolarHBondContact O-N 3.32Å; K252-V255 PolarHBondContact O-N 3.38Å
253	F	86	Confident	87.8	Confident	80 Å²	80	43.6 Å²	43.6	35%	0.351	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-35	177.8	180	-107.6	0	0	0	111.9	R70 I97 S251 V255 I256	R70-F253 HydrophobicContact CG-CD2 4.06Å; R70-F253 HydrophobicContact CG-CE2 4.05Å; I97-F253 HydrophobicContact CD1-CD2 4.16Å; S251-F253 PolarHBondContact O-N 3.45Å; S251-F253 VanDerWaalsContact O-N 3.09Å; S251-F253 WeakPolarHBondContact OG-CB 3.33Å; S251-F253 PolarHBondContact OG-N 2.97Å; F253-V255 VanDerWaalsContact C-N 3.26Å; F253-V255 PolarHBondContact O-N 2.9Å; F253-I256 HydrophobicContact CD2-CG2 4.45Å; F253-I256 HydrophobicContact CE2-CG2 4.48Å; F253-I256 WeakPolarHBondContact O-CG2 3.47Å; F253-I256 PolarHBondContact O-N 3.31Å
254	D	88.6	Confident	87.2	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-27.8	-179	-53.2	-61.2	0	0	0	112.3	Y250 S251 K252 I256 N257 L275 R278	Y250-D254 HydrophobicContact CD2-CB 4.07Å; Y250-D254 HydrophobicContact CE2-CB 3.81Å; S251-D254 WeakPolarHBondContact CA-OD2 3.44Å; S251-D254 VanDerWaalsContact CB-OD2 3.28Å; S251-D254 WeakPolarHBondContact CB-OD2 3.17Å; S251-D254 PolarHBondContact N-OD2 3.02Å; S251-D254 PolarHBondContact O-N 3.11Å; S251-D254 PolarHBondContact OG-OD2 3.37Å; K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 PolarHBondContact O-N 3.32Å; D254-I256 PolarHBondContact O-N 3.11Å; D254-N257 WeakPolarHBondContact O-CB 3.46Å; D254-N257 PolarHBondContact O-N 3.48Å; D254-N257 VanDerWaalsContact O-N 3.1Å; D254-L275 HydrophobicContact CB-CD2 4.29Å; D254-R278 IonicContact OD1-CZ 2.7Å; D254-R278 IonicContact OD1-NE 2.7Å; D254-R278 PolarHBondContact OD1-NE 3.22Å; D254-R278 IonicContact OD1-NH2 2.93Å; D254-R278 PolarHBondContact OD1-NH2 3.05Å; D254-R278 IonicContact OD2-CZ 3.9Å; D254-R278 IonicContact OD2-NE 2.96Å; D254-R278 IonicContact OD2-NH2 3.22Å; D254-R278 PolarHBondContact OD2-NH2 2.92Å
255	V	89.7	Confident	86.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-33	176.5	-173	0	0	0	0	111.5	F100 I101 L104 L226 F229 Y250 K252 F253 N257 L258	F100-V255 HydrophobicContact CD1-CG1 4.02Å; F100-V255 HydrophobicContact CE1-CG1 4.21Å; F100-V255 WeakPolarHBondContact CE1-O 3.42Å; I101-V255 HydrophobicContact CD1-CB 4.4Å; I101-V255 HydrophobicContact CD1-CG2 4.11Å; I101-V255 HydrophobicContact CG1-CB 4.07Å; I101-V255 HydrophobicContact CG1-CG1 3.77Å; I101-V255 HydrophobicContact CG1-CG2 4.05Å; L104-V255 HydrophobicContact CD1-CG1 4.11Å; L226-V255 HydrophobicContact CD2-CB 4.41Å; L226-V255 HydrophobicContact CD2-CG1 3.67Å; L226-V255 HydrophobicContact CD2-CG2 3.78Å; F229-V255 HydrophobicContact CE2-CG2 4.2Å; Y250-V255 HydrophobicContact CE1-CG2 3.94Å; K252-V255 PolarHBondContact O-N 3.38Å; F253-V255 VanDerWaalsContact C-N 3.26Å; F253-V255 PolarHBondContact O-N 2.9Å; V255-N257 PolarHBondContact O-N 3.46Å; V255-L258 HydrophobicContact CG1-CD1 4.09Å; V255-L258 VanDerWaalsContact O-CB 3.29Å; V255-L258 WeakPolarHBondContact O-CB 3.39Å; V255-L258 WeakPolarHBondContact O-CG 3.36Å; V255-L258 PolarHBondContact O-N 3.36Å
256	I	85.2	Confident	86.3	Confident	11 Å²	11	35.7 Å²	35.7	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-21.7	179.8	-152.7	64.2	0	0	0	112.3	F61 V65 I97 F100 F253 D254 L258 A259 A260	F61-I256 HydrophobicContact CB-CD1 4.44Å; F61-I256 HydrophobicContact CD1-CD1 4.03Å; V65-I256 HydrophobicContact CG2-CG1 3.7Å; I97-I256 HydrophobicContact CD1-CB 4.25Å; I97-I256 HydrophobicContact CD1-CG2 4.41Å; I97-I256 HydrophobicContact CG1-CB 4.36Å; I97-I256 HydrophobicContact CG1-CD1 4.37Å; I97-I256 HydrophobicContact CG1-CG1 4.45Å; I97-I256 HydrophobicContact CG2-CB 4.07Å; I97-I256 HydrophobicContact CG2-CD1 4.24Å; F100-I256 HydrophobicContact CD1-CD1 3.92Å; F100-I256 HydrophobicContact CE1-CD1 4.41Å; F100-I256 HydrophobicContact CG-CD1 4.26Å; F253-I256 HydrophobicContact CD2-CG2 4.45Å; F253-I256 HydrophobicContact CE2-CG2 4.48Å; F253-I256 WeakPolarHBondContact O-CG2 3.47Å; F253-I256 PolarHBondContact O-N 3.31Å; D254-I256 PolarHBondContact O-N 3.11Å; I256-L258 PolarHBondContact O-N 3.22Å; I256-A259 HydrophobicContact CD1-CB 4.43Å; I256-A259 VanDerWaalsContact O-CB 3.26Å; I256-A259 WeakPolarHBondContact O-CB 3.45Å; I256-A259 PolarHBondContact O-N 2.62Å; I256-A260 PolarHBondContact O-N 3.45Å
257	N	82.1	Confident	86.1	Confident	38 Å²	38	35.3 Å²	35.3	20%	0.203	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-27.5	176.1	-63.7	-16.9	0	0	0	111.3	D254 V255 A259 A260 E261	D254-N257 WeakPolarHBondContact O-CB 3.46Å; D254-N257 PolarHBondContact O-N 3.48Å; D254-N257 VanDerWaalsContact O-N 3.1Å; V255-N257 PolarHBondContact O-N 3.46Å; N257-A259 PolarHBondContact O-N 3.49Å; N257-A260 WeakPolarHBondContact O-CB 3.46Å; N257-A260 PolarHBondContact O-N 3.03Å; N257-E261 PolarHBondContact O-N 3.2Å
258	L	83.4	Confident	86	Confident	8 Å²	8	36.1 Å²	36.1	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-32.5	171.5	-56.2	174	0	0	0	111.8	V222 V255 I256 K262 T263 Y264 L267	V222-L258 HydrophobicContact CG1-CD1 3.94Å; V255-L258 HydrophobicContact CG1-CD1 4.09Å; V255-L258 VanDerWaalsContact O-CB 3.29Å; V255-L258 WeakPolarHBondContact O-CB 3.39Å; V255-L258 WeakPolarHBondContact O-CG 3.36Å; V255-L258 PolarHBondContact O-N 3.36Å; I256-L258 PolarHBondContact O-N 3.22Å; L258-K262 PolarHBondContact O-N 3.49Å; L258-T263 PolarHBondContact O-N 3.12Å; L258-Y264 WeakPolarHBondContact O-CD1 3.31Å; L258-Y264 PolarHBondContact O-N 3.18Å; L258-L267 HydrophobicContact CD1-CD2 3.92Å
259	A	78.8	Confident	85.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-44.2	172.9	0	0	0	0	0	111.3	F62 V65 F100 I256 N257 E261 K262	F62-A259 HydrophobicContact CD1-CB 4.21Å; F62-A259 HydrophobicContact CE1-CB 4.18Å; F62-A259 WeakPolarHBondContact CE1-O 3.38Å; V65-A259 HydrophobicContact CG2-CB 4.43Å; F100-A259 HydrophobicContact CE1-CB 4.01Å; F100-A259 HydrophobicContact CE2-CB 4.41Å; F100-A259 HydrophobicContact CZ-CB 3.73Å; I256-A259 HydrophobicContact CD1-CB 4.43Å; I256-A259 VanDerWaalsContact O-CB 3.26Å; I256-A259 WeakPolarHBondContact O-CB 3.45Å; I256-A259 PolarHBondContact O-N 2.62Å; N257-A259 PolarHBondContact O-N 3.49Å; A259-E261 VanDerWaalsContact C-N 3.28Å; A259-E261 PolarHBondContact O-N 2.9Å; A259-K262 PolarHBondContact O-N 3.03Å
260	A	76.3	Confident	86	Confident	50 Å²	50	37 Å²	37	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-55.9	-43.6	179.4	0	0	0	0	0	112.2	V65 I256 N257	V65-A260 HydrophobicContact CB-CB 4.49Å; V65-A260 HydrophobicContact CG1-CB 3.48Å; V65-A260 VanDerWaalsContact CG1-CB 3.48Å; V65-A260 HydrophobicContact CG2-CB 4.28Å; I256-A260 PolarHBondContact O-N 3.45Å; N257-A260 WeakPolarHBondContact O-CB 3.46Å; N257-A260 PolarHBondContact O-N 3.03Å
261	E	77.6	Confident	85.9	Confident	76 Å²	76	37 Å²	37	36%	0.355	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4	-176	-60.2	-174	151.5	0	0	113.7	N257 A259 T263 H277	N257-E261 PolarHBondContact O-N 3.2Å; A259-E261 VanDerWaalsContact C-N 3.28Å; A259-E261 PolarHBondContact O-N 2.9Å; E261-T263 HydrophobicContact CB-CG2 3.8Å; E261-T263 PolarHBondContact O-N 2.89Å; E261-H277 VanDerWaalsContact OE1-CB 3.27Å; E261-H277 WeakPolarHBondContact OE1-CB 3.15Å; E261-H277 IonicContact OE1-CE1 3.37Å; E261-H277 IonicContact OE1-CG 3.43Å; E261-H277 VanDerWaalsContact OE1-CG 3.26Å; E261-H277 IonicContact OE1-ND1 3.26Å; E261-H277 PolarHBondContact OE1-ND1 3.09Å; E261-H277 IonicContact OE2-CD2 3.65Å; E261-H277 IonicContact OE2-CE1 2.77Å; E261-H277 PolarHBondContact OE2-CE1 2.86Å; E261-H277 IonicContact OE2-CG 2.69Å; E261-H277 IonicContact OE2-ND1 3.66Å; E261-H277 PolarHBondContact OE2-ND1 3.01Å; E261-H277 IonicContact OE2-NE2 2.67Å
262	K	80.3	Confident	85.9	Confident	138 Å²	138	38.8 Å²	38.8	60%	0.6	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.2	-173	-45.2	-176.9	-178.8	171.7	0	113	F62 L258 A259 Y264	F62-K262 HydrophobicContact CE2-CG 4.48Å; F62-K262 HydrophobicContact CZ-CD 4.35Å; F62-K262 HydrophobicContact CZ-CG 3.88Å; L258-K262 PolarHBondContact O-N 3.49Å; A259-K262 PolarHBondContact O-N 3.03Å; K262-Y264 HydrophobicContact CB-CE1 4.32Å
263	T	82	Confident	85.9	Confident	51 Å²	51	43.4 Å²	43.4	31%	0.313	23%	0.227	S	C	.	.			trans	-91.8	1.6	179.7	50.9	0	0	0	0	112.9	L258 E261 N265 N266	L258-T263 PolarHBondContact O-N 3.12Å; E261-T263 HydrophobicContact CB-CG2 3.8Å; E261-T263 PolarHBondContact O-N 2.89Å; T263-N265 PolarHBondContact O-N 2.89Å; T263-N266 PolarHBondContact O-N 3.43Å; T263-N266 VanDerWaalsContact O-N 3.08Å
264	Y	81.2	Confident	86	Confident	6 Å²	6	40.3 Å²	40.3	2%	0.024	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.5	178.8	60.6	-100.9	0	0	0	115.5	K58 F62 L118 E119 L258 K262 L267	K58-Y264 WeakPolarHBondContact CE-OH 3.37Å; F62-Y264 HydrophobicContact CE1-CE1 4.12Å; F62-Y264 HydrophobicContact CZ-CE1 4.16Å; L118-Y264 HydrophobicContact CD2-CD2 3.76Å; L118-Y264 HydrophobicContact CD2-CE2 3.69Å; L118-Y264 HydrophobicContact CD2-CG 4.38Å; E119-Y264 PolarHBondContact OE1-OH 3.43Å; L258-Y264 WeakPolarHBondContact O-CD1 3.31Å; L258-Y264 PolarHBondContact O-N 3.18Å; K262-Y264 HydrophobicContact CB-CE1 4.32Å; Y264-L267 WeakPolarHBondContact O-CD2 3.33Å
265	N	83.1	Confident	86	Confident	46 Å²	46	40.5 Å²	40.5	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.8	174.4	-66.6	-21.2	0	0	0	112.7	A111 T263	A111-N265 WeakPolarHBondContact CA-O 3.36Å; T263-N265 PolarHBondContact O-N 2.89Å
266	N	86.5	Confident	85.7	Confident	71 Å²	71	47.5 Å²	47.5	38%	0.38	25%	0.25	S	C	.	.			trans	-114.8	94.1	179.9	-175.5	-2.4	0	0	0	110.1	A111 T263 D268	A111-N266 HydrophobicContact CB-CB 4.23Å; T263-N266 PolarHBondContact O-N 3.43Å; T263-N266 VanDerWaalsContact O-N 3.08Å; N266-D268 PolarHBondContact OD1-N 2.83Å
267	L	90.1	Very high	85	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.			trans	-98.9	4.4	178.9	-50.9	-178.4	0	0	0	112.5	L104 Y108 V222 Y223 L226 L258 Y264 V269	L104-L267 HydrophobicContact CB-CD1 4.1Å; Y108-L267 HydrophobicContact CD1-CB 4.36Å; Y108-L267 HydrophobicContact CD1-CD1 4.35Å; Y108-L267 HydrophobicContact CD2-CB 4Å; Y108-L267 HydrophobicContact CD2-CD1 3.47Å; Y108-L267 VanDerWaalsContact CD2-CD1 3.47Å; Y108-L267 HydrophobicContact CD2-CG 3.66Å; Y108-L267 HydrophobicContact CE1-CB 4.02Å; Y108-L267 HydrophobicContact CE2-CB 3.65Å; Y108-L267 HydrophobicContact CE2-CD1 4Å; Y108-L267 HydrophobicContact CE2-CG 3.64Å; Y108-L267 HydrophobicContact CG-CB 4.32Å; Y108-L267 HydrophobicContact CG-CD1 3.65Å; Y108-L267 HydrophobicContact CG-CG 4.22Å; Y108-L267 PolarHBondContact OH-N 2.99Å; V222-L267 HydrophobicContact CG1-CD2 4.18Å; V222-L267 PolarHBondContact N-O 2.98Å; Y223-L267 PolarHBondContact N-O 3.33Å; L226-L267 HydrophobicContact CD1-CD1 3.82Å; L258-L267 HydrophobicContact CD1-CD2 3.92Å; Y264-L267 WeakPolarHBondContact O-CD2 3.33Å; L267-V269 VanDerWaalsContact C-N 3.3Å
268	D	92	Very high	84.5	Confident	86 Å²	86	51.9 Å²	51.9	46%	0.46	27%	0.266	S	S	.	.			trans	-81.2	-14.2	177.1	-60.6	-24.8	0	0	0	111.9	Y108 N266	Y108-D268 WeakPolarHBondContact CE1-OD1 3.17Å; Y108-D268 PolarHBondContact OH-N 2.9Å; Y108-D268 PolarHBondContact OH-OD1 2.91Å; Y108-D268 PolarHBondContact OH-OD2 2.9Å; N266-D268 PolarHBondContact OD1-N 2.83Å
269	V	92.6	Very high	83.2	Confident	43 Å²	43	56.6 Å²	56.6	26%	0.261	30%	0.3	S	S	.	.	S	Bend	trans	-61.8	149.6	173.3	-60.5	0	0	0	0	111	P221 V222 L267 K273	P221-V269 CarbonylContact C-O 3.54Å; P221-V269 WeakPolarHBondContact CA-O 3.22Å; V222-V269 HydrophobicContact CG2-CG2 4.02Å; V222-V269 WeakPolarHBondContact CG2-O 3.19Å; V222-V269 PolarHBondContact N-O 3.45Å; L267-V269 VanDerWaalsContact C-N 3.3Å; V269-K273 HydrophobicContact CB-CB 4.46Å
270	S	94.4	Very high	81.6	Confident	25 Å²	25	66 Å²	66	18%	0.175	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-70.6	153.7	177.3	70.5	0	0	0	0	112	T218 T220 T272 K273 A274	T218-S270 WeakPolarHBondContact O-CB 3.49Å; T220-S270 CarbonylContact O-C 3.59Å; T220-S270 WeakPolarHBondContact O-CA 3.09Å; S270-T272 PolarHBondContact O-N 3.15Å; S270-K273 PolarHBondContact O-N 3.2Å; S270-K273 PolarHBondContact OG-N 3.48Å; S270-A274 PolarHBondContact O-N 3.45Å
271	V	93.2	Very high	80.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-55.3	-37.1	174.6	-69.1	0	0	0	0	112.3	V216 R217 T220 V222 A225 V239 Y250 K273 A274 L275	V216-V271 HydrophobicContact CG2-CG1 4.45Å; V216-V271 HydrophobicContact CG2-CG2 4.13Å; R217-V271 VanDerWaalsContact O-CG2 3.25Å; R217-V271 WeakPolarHBondContact O-CG2 3.32Å; T220-V271 WeakPolarHBondContact O-CG1 3.32Å; T220-V271 PolarHBondContact O-N 2.88Å; V222-V271 HydrophobicContact CG2-CG1 4.47Å; A225-V271 HydrophobicContact CB-CG1 3.85Å; V239-V271 HydrophobicContact CG1-CG2 4.2Å; V239-V271 HydrophobicContact CG2-CG2 4.35Å; Y250-V271 HydrophobicContact CD1-CG1 4.11Å; Y250-V271 HydrophobicContact CD2-CB 4.35Å; Y250-V271 HydrophobicContact CD2-CG1 4.47Å; Y250-V271 HydrophobicContact CE1-CG1 4.38Å; Y250-V271 HydrophobicContact CG-CB 4.34Å; Y250-V271 HydrophobicContact CG-CG1 4.15Å; V271-K273 PolarHBondContact O-N 3.3Å; V271-A274 PolarHBondContact O-N 2.8Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 WeakPolarHBondContact O-CD1 3.42Å; V271-L275 VanDerWaalsContact O-CG 3.25Å; V271-L275 WeakPolarHBondContact O-CG 3.16Å; V271-L275 PolarHBondContact O-N 3.08Å
272	T	91.6	Very high	79.1	Confident	48 Å²	48	74.3 Å²	74.3	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-40.1	176.7	-60	0	0	0	0	111.9	T218 S270 L275 Q276	T218-T272 WeakPolarHBondContact CA-OG1 2.97Å; T218-T272 WeakPolarHBondContact CB-OG1 3.15Å; T218-T272 PolarHBondContact O-OG1 3.48Å; S270-T272 PolarHBondContact O-N 3.15Å; T272-L275 PolarHBondContact O-N 2.98Å; T272-Q276 PolarHBondContact O-N 2.73Å
273	K	89.8	Confident	77.8	Confident	127 Å²	127	76.3 Å²	76.3	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-43	173.9	-75.8	-174.9	177	-177	0	111.3	V269 S270 V271 L275 Q276 H277	V269-K273 HydrophobicContact CB-CB 4.46Å; S270-K273 PolarHBondContact O-N 3.2Å; S270-K273 PolarHBondContact OG-N 3.48Å; V271-K273 PolarHBondContact O-N 3.3Å; K273-L275 PolarHBondContact O-N 3.39Å; K273-Q276 WeakPolarHBondContact O-CB 3.38Å; K273-Q276 PolarHBondContact O-N 2.92Å; K273-H277 PolarHBondContact O-CD2 3.14Å
274	A	88.3	Confident	77.1	Confident	14 Å²	14	75.4 Å²	75.4	12%	0.116	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-31.3	176.7	0	0	0	0	0	112.8	V222 Y250 S270 V271	V222-A274 HydrophobicContact CG2-CB 3.6Å; Y250-A274 HydrophobicContact CE2-CB 4.23Å; S270-A274 PolarHBondContact O-N 3.45Å; V271-A274 PolarHBondContact O-N 2.8Å
275	L	87.7	Confident	77.3	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-76.9	-19.9	179.3	-75.4	164.9	0	0	0	114.2	V239 D248 Y250 D254 V271 T272 K273 H277 R278	V239-L275 HydrophobicContact CG2-CD1 4.22Å; D248-L275 HydrophobicContact CB-CD1 4.09Å; Y250-L275 HydrophobicContact CD2-CD1 4.05Å; Y250-L275 HydrophobicContact CD2-CD2 3.82Å; Y250-L275 HydrophobicContact CD2-CG 3.79Å; Y250-L275 HydrophobicContact CE2-CD2 4.46Å; Y250-L275 HydrophobicContact CE2-CG 4.39Å; D254-L275 HydrophobicContact CB-CD2 4.29Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 WeakPolarHBondContact O-CD1 3.42Å; V271-L275 VanDerWaalsContact O-CG 3.25Å; V271-L275 WeakPolarHBondContact O-CG 3.16Å; V271-L275 PolarHBondContact O-N 3.08Å; T272-L275 PolarHBondContact O-N 2.98Å; K273-L275 PolarHBondContact O-N 3.39Å; L275-H277 PolarHBondContact O-N 2.94Å; L275-H277 VanDerWaalsContact O-N 3.1Å; L275-R278 WeakPolarHBondContact O-CB 3.29Å; L275-R278 PolarHBondContact O-N 2.92Å
276	Q	83.1	Confident	77.7	Confident	147 Å²	147	76.2 Å²	76.2	69%	0.687	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.6	174.8	-70.2	177.7	-21.6	0	0	112.8	T272 K273 R278	T272-Q276 PolarHBondContact O-N 2.73Å; K273-Q276 WeakPolarHBondContact O-CB 3.38Å; K273-Q276 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact C-N 3.29Å; Q276-R278 PolarHBondContact O-N 3.17Å
277	H	70.3	Confident	78.1	Confident	90 Å²	90	75.7 Å²	75.7	42%	0.417	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.7	178.9	-66.5	-79.6	0	0	0	114	E261 K273 L275 S279	E261-H277 VanDerWaalsContact OE1-CB 3.27Å; E261-H277 WeakPolarHBondContact OE1-CB 3.15Å; E261-H277 IonicContact OE1-CE1 3.37Å; E261-H277 IonicContact OE1-CG 3.43Å; E261-H277 VanDerWaalsContact OE1-CG 3.26Å; E261-H277 IonicContact OE1-ND1 3.26Å; E261-H277 PolarHBondContact OE1-ND1 3.09Å; E261-H277 IonicContact OE2-CD2 3.65Å; E261-H277 IonicContact OE2-CE1 2.77Å; E261-H277 PolarHBondContact OE2-CE1 2.86Å; E261-H277 IonicContact OE2-CG 2.69Å; E261-H277 IonicContact OE2-ND1 3.66Å; E261-H277 PolarHBondContact OE2-ND1 3.01Å; E261-H277 IonicContact OE2-NE2 2.67Å; K273-H277 PolarHBondContact O-CD2 3.14Å; L275-H277 PolarHBondContact O-N 2.94Å; L275-H277 VanDerWaalsContact O-N 3.1Å; H277-S279 PolarHBondContact O-N 3.07Å
278	R	72.5	Confident	78.4	Confident	52 Å²	52	75.7 Å²	75.7	20%	0.196	38%	0.376	C	S	.	.	S	Bend	trans	-65.1	126.3	168.9	-82.9	-175.8	171.4	156.9	3.3	109.3	D248 I249 D254 L275 Q276 H280	D248-R278 IonicContact OD1-NH1 3.71Å; D248-R278 PolarHBondContact OD1-NH1 2.72Å; I249-R278 PolarHBondContact O-NH1 2.85Å; I249-R278 PolarHBondContact O-NH2 3.38Å; D254-R278 IonicContact OD1-CZ 2.7Å; D254-R278 IonicContact OD1-NE 2.7Å; D254-R278 PolarHBondContact OD1-NE 3.22Å; D254-R278 IonicContact OD1-NH2 2.93Å; D254-R278 PolarHBondContact OD1-NH2 3.05Å; D254-R278 IonicContact OD2-CZ 3.9Å; D254-R278 IonicContact OD2-NE 2.96Å; D254-R278 IonicContact OD2-NH2 3.22Å; D254-R278 PolarHBondContact OD2-NH2 2.92Å; L275-R278 WeakPolarHBondContact O-CB 3.29Å; L275-R278 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact C-N 3.29Å; Q276-R278 PolarHBondContact O-N 3.17Å; R278-H280 PolarHBondContact O-N 3.26Å
279	S	55.1	Low	78.6	Confident	106 Å²	106	75.3 Å²	75.3	74%	0.741	37%	0.369	S	S	*	.			trans	-51.6	137.3	170.7	56.1	0	0	0	0	110.8	H277 Y281	H277-S279 PolarHBondContact O-N 3.07Å; S279-Y281 PolarHBondContact O-N 3.04Å
280	H	46.7	Very low	78.8	Confident	198 Å²	198	75.4 Å²	75.4	92%	0.917	37%	0.368	S	S	*	.	S	Bend	trans	-35.6	0.4	-169.1	-74.7	-75.6	0	0	0	122	R278	R278-H280 PolarHBondContact O-N 3.26Å
281	Y	45.7	Very low	78.9	Confident	215 Å²	215	80.2 Å²	80.2	84%	0.843	39%	0.387	S	S	*	.			trans	-106.3	69.8	176.7	-86.2	-89.7	0	0	0	111.5	S279	S279-Y281 PolarHBondContact O-N 3.04Å
282	F	54.5	Low	79	Confident	86 Å²	86	81.7 Å²	81.7	38%	0.377	39%	0.394	S	S	.	.			trans	-115	101	164.8	-170.2	-109.9	0	0	0	109.5	D248 I249 G284 V285	D248-F282 WeakPolarHBondContact OD1-CE1 3.48Å; D248-F282 VanDerWaalsContact OD1-CZ 3.3Å; D248-F282 WeakPolarHBondContact OD1-CZ 3.35Å; I249-F282 HydrophobicContact CG2-CE2 4.38Å; I249-F282 HydrophobicContact CG2-CZ 4.24Å; F282-G284 VanDerWaalsContact CE1-C 3.46Å; F282-G284 VanDerWaalsContact CE1-CA 3.42Å; F282-G284 WeakPolarHBondContact CZ-O 3.26Å; F282-G284 PolarHBondContact O-N 3.34Å; F282-G284 VanDerWaalsContact O-N 3.1Å; F282-V285 HydrophobicContact CZ-CG2 4.07Å
283	E	54.2	Low	79.2	Confident	180 Å²	180	81.3 Å²	81.3	84%	0.841	39%	0.392	S	S	*	.			trans	-77.2	20.9	177	-70	-177.6	157.8	0	0	113.2
284	G	67.6	Low	79.4	Confident	32 Å²	32	75.3 Å²	75.3	33%	0.33	37%	0.366	S	S	.	.			trans	89.5	175.4	-176	0	0	0	0	0	113.8	F282 L286	F282-G284 VanDerWaalsContact CE1-C 3.46Å; F282-G284 VanDerWaalsContact CE1-CA 3.42Å; F282-G284 WeakPolarHBondContact CZ-O 3.26Å; F282-G284 PolarHBondContact O-N 3.34Å; F282-G284 VanDerWaalsContact O-N 3.1Å; G284-L286 PolarHBondContact O-N 2.85Å
285	V	84.4	Confident	79.6	Confident	16 Å²	16	76.6 Å²	76.6	10%	0.097	37%	0.369	C	S	.	.			trans	-72.6	122.1	175.5	-177.1	0	0	0	0	109	V246 I249 F282 K287 V310	V246-V285 HydrophobicContact CG2-CB 4.38Å; V246-V285 HydrophobicContact CG2-CG1 3.96Å; V246-V285 HydrophobicContact CG2-CG2 4.25Å; I249-V285 HydrophobicContact CB-CG1 4.28Å; I249-V285 HydrophobicContact CB-CG2 4.18Å; I249-V285 HydrophobicContact CG2-CG1 4.42Å; I249-V285 HydrophobicContact CG2-CG2 4.18Å; F282-V285 HydrophobicContact CZ-CG2 4.07Å; V285-K287 WeakPolarHBondContact O-CG 3.29Å; V285-K287 PolarHBondContact O-N 3.08Å; V285-V310 HydrophobicContact CG1-CB 4.33Å; V285-V310 HydrophobicContact CG1-CG2 3.76Å
286	L	91.6	Very high	79.9	Confident	53 Å²	53	78.6 Å²	78.6	28%	0.277	38%	0.382	S	S	.	.			trans	-73.8	127.1	174.1	-62	171.4	0	0	0	110.6	G284 A304 V306 L309 V310	G284-L286 PolarHBondContact O-N 2.85Å; L286-A304 HydrophobicContact CD1-CB 3.26Å; L286-V306 HydrophobicContact CD1-CB 4.21Å; L286-V306 HydrophobicContact CD1-CG1 3.59Å; L286-V306 HydrophobicContact CD1-CG2 3.61Å; L286-L309 HydrophobicContact CB-CD2 3.48Å; L286-L309 VanDerWaalsContact CB-CD2 3.48Å; L286-V310 PolarHBondContact O-N 2.95Å
287	K	94.8	Very high	80.5	Confident	60 Å²	60	71.6 Å²	71.6	26%	0.261	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	164.3	-173.2	-33	-176	-157.4	178.2	0	110.6	V246 V285 R300 V310 V312 D316	V246-K287 HydrophobicContact CG1-CD 4.09Å; V285-K287 WeakPolarHBondContact O-CG 3.29Å; V285-K287 PolarHBondContact O-N 3.08Å; K287-R300 PolarHBondContact O-NH1 2.92Å; K287-V310 CarbonylContact C-O 3.56Å; K287-V310 VanDerWaalsContact CA-O 3.23Å; K287-V310 WeakPolarHBondContact CA-O 3.46Å; K287-V312 HydrophobicContact CB-CG2 3.92Å; K287-V312 HydrophobicContact CD-CG1 4.38Å; K287-V312 HydrophobicContact CD-CG2 4.04Å; K287-D316 WeakPolarHBondContact CD-OD1 3.39Å; K287-D316 IonicContact NZ-OD1 3.21Å; K287-D316 PolarHBondContact NZ-OD1 3.38Å; K287-D316 IonicContact NZ-OD2 2.99Å; K287-D316 PolarHBondContact NZ-OD2 3.31Å
288	C	96.2	Very high	81.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.2	164.5	60.1	0	0	0	0	110.6	E292 I297 L309 V310 V311 V312	C288-E292 WeakPolarHBondContact CA-OE2 3.45Å; C288-E292 WeakPolarHBondContact CB-OE2 3.15Å; C288-I297 HydrophobicContact CB-CG1 4.23Å; C288-L309 HydrophobicContact CB-CB 4.25Å; C288-L309 HydrophobicContact CB-CD1 3.81Å; C288-V310 PolarHBondContact N-O 2.56Å; C288-V311 VanDerWaalsContact O-CA 3.29Å; C288-V311 WeakPolarHBondContact O-CA 3.5Å; C288-V312 PolarHBondContact O-N 2.92Å
289	Y	97.3	Very high	82.5	Confident	78 Å²	78	66.9 Å²	66.9	31%	0.306	33%	0.331	S	S	.	.			trans	-111.8	156.1	176.8	-56	-87	0	0	0	110.9	H291 E292 V312	Y289-H291 VanDerWaalsContact C-N 3.25Å; Y289-H291 WeakPolarHBondContact CB-CE1 3.3Å; Y289-H291 AromaticContact CG-CE1 3.76Å; Y289-H291 PolarHBondContact O-N 3.49Å; Y289-E292 HydrophobicContact CD2-CG 4.44Å; Y289-E292 PolarHBondContact N-OE2 2.86Å; Y289-E292 WeakPolarHBondContact O-CB 3.13Å; Y289-E292 PolarHBondContact O-N 2.99Å; Y289-V312 HydrophobicContact CD1-CG2 4.23Å; Y289-V312 WeakPolarHBondContact CD1-O 3.11Å; Y289-V312 HydrophobicContact CE1-CG2 3.89Å
290	L	96	Very high	84.4	Confident	46 Å²	46	64.9 Å²	64.9	24%	0.241	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.3	-179	-78.4	173.8	0	0	0	113.6	L202 E203 Y210 E292 V311	L202-L290 WeakPolarHBondContact CB-O 3.27Å; L202-L290 HydrophobicContact CD2-CD2 4.44Å; L202-L290 PolarHBondContact N-O 3.21Å; E203-L290 HydrophobicContact CB-CB 4.24Å; E203-L290 PolarHBondContact N-O 3.44Å; E203-L290 VanDerWaalsContact N-O 3.08Å; Y210-L290 HydrophobicContact CD1-CD2 4.15Å; Y210-L290 HydrophobicContact CE1-CD2 3.39Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.96Å; L290-V311 HydrophobicContact CD2-CG1 3.85Å; L290-V311 HydrophobicContact CG-CG1 3.8Å
291	H	95.7	Very high	86.6	Confident	126 Å²	126	55.5 Å²	55.5	58%	0.583	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-7	-179.6	63.8	-97.4	0	0	0	113.4	Y289	Y289-H291 VanDerWaalsContact C-N 3.25Å; Y289-H291 WeakPolarHBondContact CB-CE1 3.3Å; Y289-H291 AromaticContact CG-CE1 3.76Å; Y289-H291 PolarHBondContact O-N 3.49Å
292	E	96.6	Very high	88.7	Confident	30 Å²	30	46.5 Å²	46.5	14%	0.14	23%	0.231	C	C	.	.	S	Bend	trans	-73.3	145.7	178.3	-67.1	-175.1	125.1	0	0	111.4	S201 L202 C288 Y289 L290 I297 R300	S201-E292 WeakPolarHBondContact CA-O 3.32Å; L202-E292 PolarHBondContact N-O 3.17Å; C288-E292 WeakPolarHBondContact CA-OE2 3.45Å; C288-E292 WeakPolarHBondContact CB-OE2 3.15Å; Y289-E292 HydrophobicContact CD2-CG 4.44Å; Y289-E292 PolarHBondContact N-OE2 2.86Å; Y289-E292 WeakPolarHBondContact O-CB 3.13Å; Y289-E292 PolarHBondContact O-N 2.99Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.96Å; E292-I297 HydrophobicContact CB-CD1 4.39Å; E292-I297 HydrophobicContact CB-CG1 4.31Å; E292-R300 IonicContact OE1-CZ 3.64Å; E292-R300 IonicContact OE1-NH1 3.92Å; E292-R300 PolarHBondContact OE1-NH1 2.95Å; E292-R300 IonicContact OE1-NH2 2.68Å; E292-R300 PolarHBondContact OE1-NH2 2.81Å; E292-R300 IonicContact OE2-CZ 3.26Å; E292-R300 IonicContact OE2-NH1 2.78Å; E292-R300 PolarHBondContact OE2-NH1 3.1Å; E292-R300 IonicContact OE2-NH2 3.18Å
293	T	95.4	Very high	90.4	Very high	40 Å²	40	49.8 Å²	49.8	25%	0.245	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-73	152.2	-179.4	65.7	0	0	0	0	112	S199 K200 E295 T296 I297	S199-T293 VanDerWaalsContact O-CG2 3.25Å; S199-T293 WeakPolarHBondContact O-CG2 3.39Å; K200-T293 WeakPolarHBondContact O-CA 3.2Å; T293-E295 PolarHBondContact O-N 2.83Å; T293-T296 WeakPolarHBondContact O-CB 3.44Å; T293-T296 PolarHBondContact O-N 3.01Å; T293-T296 PolarHBondContact OG1-N 3.43Å; T293-T296 PolarHBondContact OG1-OG1 3.11Å; T293-I297 PolarHBondContact O-N 3.17Å; T293-I297 VanDerWaalsContact O-N 3.11Å
294	L	93.1	Very high	92.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-55.9	-38.7	175.3	-179.7	61	0	0	0	112	F197 M198 K200 L205 I207 T296 I297 I298 I327	F197-L294 HydrophobicContact CD2-CD2 3.98Å; F197-L294 HydrophobicContact CE2-CD2 4.14Å; M198-L294 HydrophobicContact SD-CD2 4.08Å; M198-L294 HydrophobicContact SD-CG 4.41Å; K200-L294 PolarHBondContact O-N 3.26Å; L205-L294 HydrophobicContact CD1-CB 3.77Å; L205-L294 HydrophobicContact CD1-CD2 3.97Å; L205-L294 HydrophobicContact CD1-CG 4.38Å; I207-L294 HydrophobicContact CD1-CD1 3.93Å; I207-L294 HydrophobicContact CD1-CD2 4.04Å; L294-T296 PolarHBondContact O-N 2.79Å; L294-I297 PolarHBondContact O-N 3.44Å; L294-I298 HydrophobicContact CD1-CD1 4.01Å; L294-I298 HydrophobicContact CD1-CG1 4.17Å; L294-I298 HydrophobicContact CD2-CD1 4.36Å; L294-I298 HydrophobicContact CG-CD1 3.8Å; L294-I298 HydrophobicContact CG-CG1 4.37Å; L294-I298 WeakPolarHBondContact O-CG1 3.27Å; L294-I298 PolarHBondContact O-N 2.75Å; L294-I327 HydrophobicContact CD1-CG1 4.31Å
295	E	92.2	Very high	93.1	Very high	42 Å²	42	45.7 Å²	45.7	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-48.3	174.4	170.4	152.6	-133.8	0	0	112.5	K194 M198 T293 I297 I298 N299	K194-E295 WeakPolarHBondContact CE-OE1 3.46Å; K194-E295 VanDerWaalsContact NZ-CD 3.32Å; K194-E295 IonicContact NZ-OE1 2.72Å; K194-E295 PolarHBondContact NZ-OE1 2.89Å; K194-E295 IonicContact NZ-OE2 2.84Å; K194-E295 PolarHBondContact NZ-OE2 3.04Å; M198-E295 HydrophobicContact CB-CB 4.49Å; M198-E295 HydrophobicContact CE-CB 4.03Å; M198-E295 WeakPolarHBondContact O-CB 3.09Å; M198-E295 PolarHBondContact O-N 3.09Å; T293-E295 PolarHBondContact O-N 2.83Å; E295-I297 VanDerWaalsContact C-N 3.27Å; E295-I297 PolarHBondContact O-N 3.14Å; E295-I298 PolarHBondContact O-N 3.45Å; E295-N299 PolarHBondContact O-N 2.99Å; E295-N299 PolarHBondContact O-ND2 3.15Å
296	T	94.8	Very high	93.3	Very high	53 Å²	53	47 Å²	47	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-42	-179	-57.3	0	0	0	0	110.9	T293 L294 N299 R300	T293-T296 WeakPolarHBondContact O-CB 3.44Å; T293-T296 PolarHBondContact O-N 3.01Å; T293-T296 PolarHBondContact OG1-N 3.43Å; T293-T296 PolarHBondContact OG1-OG1 3.11Å; L294-T296 PolarHBondContact O-N 2.79Å; T296-N299 PolarHBondContact O-N 3.06Å; T296-R300 WeakPolarHBondContact O-CB 3.35Å; T296-R300 PolarHBondContact O-N 3.01Å
297	I	95	Very high	93.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-45	178.4	-69.4	172.4	0	0	0	111.5	L202 C288 E292 T293 L294 E295 R300 L301 L309 V322 I327	L202-I297 HydrophobicContact CB-CD1 3.8Å; L202-I297 HydrophobicContact CD1-CD1 3.71Å; L202-I297 HydrophobicContact CD2-CD1 3.83Å; L202-I297 HydrophobicContact CG-CD1 3.98Å; C288-I297 HydrophobicContact CB-CG1 4.23Å; E292-I297 HydrophobicContact CB-CD1 4.39Å; E292-I297 HydrophobicContact CB-CG1 4.31Å; T293-I297 PolarHBondContact O-N 3.17Å; T293-I297 VanDerWaalsContact O-N 3.11Å; L294-I297 PolarHBondContact O-N 3.44Å; E295-I297 VanDerWaalsContact C-N 3.27Å; E295-I297 PolarHBondContact O-N 3.14Å; I297-R300 PolarHBondContact O-N 3.4Å; I297-L301 HydrophobicContact CG2-CD1 3.98Å; I297-L301 WeakPolarHBondContact O-CB 3.36Å; I297-L301 WeakPolarHBondContact O-CG 3.47Å; I297-L301 PolarHBondContact O-N 3.28Å; I297-L309 HydrophobicContact CG2-CD1 4.11Å; I297-V322 HydrophobicContact CG2-CG1 4.27Å; I297-I327 HydrophobicContact CG2-CD1 4.01Å
298	I	93.4	Very high	93.1	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-45.3	177.5	-72.2	171	0	0	0	110.6	L182 M198 L294 E295 R300 L301 V302 I327	L182-I298 HydrophobicContact CD1-CG2 4.25Å; L182-I298 HydrophobicContact CD2-CG2 4.35Å; L182-I298 HydrophobicContact CG-CG2 4.35Å; M198-I298 HydrophobicContact CE-CD1 3.93Å; M198-I298 HydrophobicContact SD-CD1 4.26Å; L294-I298 HydrophobicContact CD1-CD1 4.01Å; L294-I298 HydrophobicContact CD1-CG1 4.17Å; L294-I298 HydrophobicContact CD2-CD1 4.36Å; L294-I298 HydrophobicContact CG-CD1 3.8Å; L294-I298 HydrophobicContact CG-CG1 4.37Å; L294-I298 WeakPolarHBondContact O-CG1 3.27Å; L294-I298 PolarHBondContact O-N 2.75Å; E295-I298 PolarHBondContact O-N 3.45Å; I298-R300 PolarHBondContact O-N 3.03Å; I298-L301 PolarHBondContact O-N 3.4Å; I298-V302 HydrophobicContact CG2-CG2 4.3Å; I298-V302 VanDerWaalsContact O-CG2 3.32Å; I298-V302 WeakPolarHBondContact O-CG2 3.43Å; I298-V302 PolarHBondContact O-N 2.85Å; I298-I327 HydrophobicContact CD1-CG2 3.88Å; I298-I327 HydrophobicContact CG1-CD1 4.15Å; I298-I327 HydrophobicContact CG1-CG2 3.87Å
299	N	92.6	Very high	93.1	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.193	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-49.7	178.8	-66.1	-18.5	0	0	0	110.5	K186 E295 T296 L301 V302 E303	K186-N299 WeakPolarHBondContact CE-OD1 3.48Å; K186-N299 PolarHBondContact NZ-OD1 3.03Å; E295-N299 PolarHBondContact O-N 2.99Å; E295-N299 PolarHBondContact O-ND2 3.15Å; T296-N299 PolarHBondContact O-N 3.06Å; N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.32Å; N299-V302 PolarHBondContact O-N 2.95Å; N299-E303 WeakPolarHBondContact O-CB 3.33Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.29Å; N299-E303 PolarHBondContact O-N 3.18Å
300	R	94	Very high	93.1	Very high	65 Å²	65	41.4 Å²	41.4	25%	0.245	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-41.9	178.3	-169.3	178.6	-60.9	142.2	8.7	112.8	K287 E292 T296 I297 I298 A304 L309	K287-R300 PolarHBondContact O-NH1 2.92Å; E292-R300 IonicContact OE1-CZ 3.64Å; E292-R300 IonicContact OE1-NH1 3.92Å; E292-R300 PolarHBondContact OE1-NH1 2.95Å; E292-R300 IonicContact OE1-NH2 2.68Å; E292-R300 PolarHBondContact OE1-NH2 2.81Å; E292-R300 IonicContact OE2-CZ 3.26Å; E292-R300 IonicContact OE2-NH1 2.78Å; E292-R300 PolarHBondContact OE2-NH1 3.1Å; E292-R300 IonicContact OE2-NH2 3.18Å; T296-R300 WeakPolarHBondContact O-CB 3.35Å; T296-R300 PolarHBondContact O-N 3.01Å; I297-R300 PolarHBondContact O-N 3.4Å; I298-R300 PolarHBondContact O-N 3.03Å; R300-A304 VanDerWaalsContact O-CB 3.29Å; R300-A304 WeakPolarHBondContact O-CB 3.41Å; R300-A304 PolarHBondContact O-N 3.31Å; R300-A304 VanDerWaalsContact O-N 3.09Å; R300-L309 HydrophobicContact CB-CD1 4.32Å; R300-L309 HydrophobicContact CG-CD1 4.3Å; R300-L309 HydrophobicContact CG-CD2 4.39Å
301	L	92.6	Very high	93.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-40.7	177.5	-79.2	168.8	0	0	0	112.8	I297 I298 N299 E305 V306 L309 L324 I327	I297-L301 HydrophobicContact CG2-CD1 3.98Å; I297-L301 WeakPolarHBondContact O-CB 3.36Å; I297-L301 WeakPolarHBondContact O-CG 3.47Å; I297-L301 PolarHBondContact O-N 3.28Å; I298-L301 PolarHBondContact O-N 3.4Å; N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.32Å; L301-E305 WeakPolarHBondContact O-CA 3.36Å; L301-E305 PolarHBondContact O-N 3.41Å; L301-E305 VanDerWaalsContact O-N 3.15Å; L301-V306 HydrophobicContact CD2-CG2 3.76Å; L301-V306 PolarHBondContact O-N 3.24Å; L301-L309 HydrophobicContact CD2-CD1 4.38Å; L301-L309 HydrophobicContact CD2-CD2 4.02Å; L301-L309 HydrophobicContact CD2-CG 3.65Å; L301-L309 HydrophobicContact CG-CD1 4.09Å; L301-L309 HydrophobicContact CG-CD2 4.49Å; L301-L309 HydrophobicContact CG-CG 3.92Å; L301-L324 HydrophobicContact CB-CD2 4.29Å; L301-L324 HydrophobicContact CD1-CD2 4.16Å; L301-I327 HydrophobicContact CD1-CD1 3.14Å
302	V	91.3	Very high	93.2	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.158	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-44.1	-178.6	173.4	0	0	0	0	111.1	L182 K183 K186 I298 N299 E305	L182-V302 HydrophobicContact CD2-CG2 4.07Å; L182-V302 HydrophobicContact CG-CG2 4.03Å; K183-V302 HydrophobicContact CB-CG1 4.37Å; K183-V302 HydrophobicContact CG-CG1 4.09Å; K186-V302 HydrophobicContact CB-CG1 4.37Å; K186-V302 HydrophobicContact CB-CG2 4.18Å; K186-V302 HydrophobicContact CG-CG1 4.22Å; K186-V302 HydrophobicContact CG-CG2 4.44Å; I298-V302 HydrophobicContact CG2-CG2 4.3Å; I298-V302 VanDerWaalsContact O-CG2 3.32Å; I298-V302 WeakPolarHBondContact O-CG2 3.43Å; I298-V302 PolarHBondContact O-N 2.85Å; N299-V302 PolarHBondContact O-N 2.95Å; V302-E305 PolarHBondContact O-N 2.65Å
303	E	90.3	Very high	93.2	Very high	155 Å²	155	33.1 Å²	33.1	72%	0.724	17%	0.171	S	C	*	.	H	α-helix	trans	-64.1	-47.6	179.4	-74.2	169.5	-166	0	0	111.7	N299 E305	N299-E303 WeakPolarHBondContact O-CB 3.33Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.29Å; N299-E303 PolarHBondContact O-N 3.18Å; E303-E305 PolarHBondContact O-N 3.41Å
304	A	88.6	Confident	93.2	Very high	44 Å²	44	38.5 Å²	38.5	36%	0.364	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.1	179.3	0	0	0	0	0	113.9	L286 R300 V306	L286-A304 HydrophobicContact CD1-CB 3.26Å; R300-A304 VanDerWaalsContact O-CB 3.29Å; R300-A304 WeakPolarHBondContact O-CB 3.41Å; R300-A304 PolarHBondContact O-N 3.31Å; R300-A304 VanDerWaalsContact O-N 3.09Å; A304-V306 HydrophobicContact CB-CG1 4.43Å; A304-V306 HydrophobicContact CB-CG2 4.27Å; A304-V306 WeakPolarHBondContact O-CG1 3.29Å; A304-V306 PolarHBondContact O-N 3.26Å; A304-V306 VanDerWaalsContact O-N 3.09Å
305	E	88.3	Confident	93.3	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.383	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	30.1	180	-62.7	-146.8	155.8	0	0	116	K179 K183 L301 V302 E303	K179-E305 HydrophobicContact CD-CB 4.27Å; K179-E305 WeakPolarHBondContact CD-O 3.45Å; K179-E305 IonicContact NZ-OE2 3.82Å; K179-E305 PolarHBondContact NZ-OE2 2.91Å; K183-E305 IonicContact NZ-OE1 3.04Å; K183-E305 PolarHBondContact NZ-OE1 2.94Å; L301-E305 WeakPolarHBondContact O-CA 3.36Å; L301-E305 PolarHBondContact O-N 3.41Å; L301-E305 VanDerWaalsContact O-N 3.15Å; V302-E305 PolarHBondContact O-N 2.65Å; E303-E305 PolarHBondContact O-N 3.41Å
306	V	89.1	Confident	93.4	Very high	43 Å²	43	44.1 Å²	44.1	26%	0.261	23%	0.225	S	C	.	.			trans	-95	163.7	-178.9	-66.8	0	0	0	0	112.8	L286 L301 A304 L309	L286-V306 HydrophobicContact CD1-CB 4.21Å; L286-V306 HydrophobicContact CD1-CG1 3.59Å; L286-V306 HydrophobicContact CD1-CG2 3.61Å; L301-V306 HydrophobicContact CD2-CG2 3.76Å; L301-V306 PolarHBondContact O-N 3.24Å; A304-V306 HydrophobicContact CB-CG1 4.43Å; A304-V306 HydrophobicContact CB-CG2 4.27Å; A304-V306 WeakPolarHBondContact O-CG1 3.29Å; A304-V306 PolarHBondContact O-N 3.26Å; A304-V306 VanDerWaalsContact O-N 3.09Å; V306-L309 HydrophobicContact CG2-CD2 4.17Å
307	H	89.2	Confident	93.5	Very high	43 Å²	43	43.4 Å²	43.4	20%	0.199	22%	0.221	C	C	.	.	S	Bend	trans	-92.6	-14	-175.1	-77.6	-128.7	0	0	0	114.5	R70 L324	R70-H307 PolarHBondContact NH1-NE2 2.9Å; R70-H307 VanDerWaalsContact NH1-NE2 3.12Å; H307-L324 HydrophobicContact CB-CD1 4.39Å; H307-L324 WeakPolarHBondContact O-CG 3.42Å; H307-L324 PolarHBondContact O-N 3.09Å
308	R	93.5	Very high	93.6	Very high	30 Å²	30	44.2 Å²	44.2	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	161.6	-179.2	74.9	-74.7	-67.8	-170.8	-5.6	110.4	S235 I249 I321 V322	S235-R308 PolarHBondContact O-NH2 2.8Å; S235-R308 PolarHBondContact OG-NH2 3.14Å; I249-R308 HydrophobicContact CD1-CG 4.19Å; R308-I321 HydrophobicContact CB-CG2 3.95Å; R308-I321 HydrophobicContact CG-CG2 3.99Å; R308-V322 CarbonylContact C-O 3.54Å; R308-V322 WeakPolarHBondContact CA-O 3.33Å; R308-V322 WeakPolarHBondContact CB-O 3.1Å
309	L	95.7	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.9	163.9	-59.6	179	0	0	0	109.6	L286 C288 I297 R300 L301 V306 V322	L286-L309 HydrophobicContact CB-CD2 3.48Å; L286-L309 VanDerWaalsContact CB-CD2 3.48Å; C288-L309 HydrophobicContact CB-CB 4.25Å; C288-L309 HydrophobicContact CB-CD1 3.81Å; I297-L309 HydrophobicContact CG2-CD1 4.11Å; R300-L309 HydrophobicContact CB-CD1 4.32Å; R300-L309 HydrophobicContact CG-CD1 4.3Å; R300-L309 HydrophobicContact CG-CD2 4.39Å; L301-L309 HydrophobicContact CD2-CD1 4.38Å; L301-L309 HydrophobicContact CD2-CD2 4.02Å; L301-L309 HydrophobicContact CD2-CG 3.65Å; L301-L309 HydrophobicContact CG-CD1 4.09Å; L301-L309 HydrophobicContact CG-CD2 4.49Å; L301-L309 HydrophobicContact CG-CG 3.92Å; V306-L309 HydrophobicContact CG2-CD2 4.17Å; L309-V322 PolarHBondContact N-O 3.29Å; L309-V322 PolarHBondContact O-N 3.11Å
310	V	96.8	Very high	94	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	-88.9	122.2	171.1	-175.3	0	0	0	0	108	P238 V246 I249 V285 L286 K287 C288 V312 V318	P238-V310 HydrophobicContact CG-CG1 4.42Å; P238-V310 HydrophobicContact CG-CG2 4.28Å; V246-V310 HydrophobicContact CB-CG1 4.47Å; V246-V310 HydrophobicContact CG2-CG1 4.31Å; I249-V310 HydrophobicContact CD1-CG2 4.16Å; V285-V310 HydrophobicContact CG1-CB 4.33Å; V285-V310 HydrophobicContact CG1-CG2 3.76Å; L286-V310 PolarHBondContact O-N 2.95Å; K287-V310 CarbonylContact C-O 3.56Å; K287-V310 VanDerWaalsContact CA-O 3.23Å; K287-V310 WeakPolarHBondContact CA-O 3.46Å; C288-V310 PolarHBondContact N-O 2.56Å; V310-V312 HydrophobicContact CG1-CG1 4.02Å; V310-V318 HydrophobicContact CG1-CB 4.37Å; V310-V318 HydrophobicContact CG1-CG1 3.86Å; V310-V318 HydrophobicContact CG1-CG2 3.84Å
311	V	97.5	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.4	175.8	-171.1	0	0	0	0	108.4	L202 Y210 C288 L290 K319 G320 V322	L202-V311 HydrophobicContact CD2-CG1 4.43Å; L202-V311 HydrophobicContact CD2-CG2 3.85Å; Y210-V311 HydrophobicContact CE1-CB 4.32Å; Y210-V311 HydrophobicContact CE1-CG1 4.2Å; Y210-V311 HydrophobicContact CE1-CG2 4.05Å; C288-V311 VanDerWaalsContact O-CA 3.29Å; C288-V311 WeakPolarHBondContact O-CA 3.5Å; L290-V311 HydrophobicContact CD2-CG1 3.85Å; L290-V311 HydrophobicContact CG-CG1 3.8Å; V311-K319 HydrophobicContact CG1-CB 4.42Å; V311-K319 PolarHBondContact O-N 3.49Å; V311-G320 PolarHBondContact N-O 3.16Å; V311-G320 PolarHBondContact O-N 2.57Å; V311-V322 HydrophobicContact CG2-CG2 3.67Å
312	V	97.1	Very high	94.3	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	164	-177.2	-60.6	0	0	0	0	112.1	V246 K287 C288 Y289 V310 V317	V246-V312 HydrophobicContact CG1-CG1 3.73Å; K287-V312 HydrophobicContact CB-CG2 3.92Å; K287-V312 HydrophobicContact CD-CG1 4.38Å; K287-V312 HydrophobicContact CD-CG2 4.04Å; C288-V312 PolarHBondContact O-N 2.92Å; Y289-V312 HydrophobicContact CD1-CG2 4.23Å; Y289-V312 WeakPolarHBondContact CD1-O 3.11Å; Y289-V312 HydrophobicContact CE1-CG2 3.89Å; V310-V312 HydrophobicContact CG1-CG1 4.02Å; V312-V317 VanDerWaalsContact CA-O 3.27Å; V312-V317 WeakPolarHBondContact CA-O 3.12Å
313	D	95.8	Very high	94.4	Very high	25 Å²	25	44 Å²	44	13%	0.134	23%	0.225	C	C	.	.			trans	-91.7	-175.9	164.5	65.6	17.2	0	0	0	112.1	N315 D316 V317 K319	D313-N315 PolarHBondContact O-N 3.33Å; D313-N315 VanDerWaalsContact O-N 3.11Å; D313-N315 WeakPolarHBondContact OD1-CA 3.36Å; D313-N315 WeakPolarHBondContact OD1-CB 3.34Å; D313-N315 PolarHBondContact OD1-N 3.33Å; D313-D316 PolarHBondContact O-N 3.4Å; D313-D316 PolarHBondContact OD1-N 3.02Å; D313-V317 PolarHBondContact N-O 2.78Å; D313-V317 VanDerWaalsContact N-O 3.14Å; D313-V317 WeakPolarHBondContact OD1-CB 3.44Å; D313-V317 PolarHBondContact OD1-N 3.35Å; D313-V317 WeakPolarHBondContact OD2-CB 3.32Å; D313-K319 VanDerWaalsContact CB-CE 3.45Å; D313-K319 HydrophobicContact CB-CG 4.37Å; D313-K319 VanDerWaalsContact CG-CE 3.46Å; D313-K319 WeakPolarHBondContact OD2-CE 3.41Å; D313-K319 IonicContact OD2-NZ 2.75Å; D313-K319 PolarHBondContact OD2-NZ 3.08Å
314	E	95.4	Very high	94.6	Very high	154 Å²	154	36.8 Å²	36.8	72%	0.72	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19	179.6	-59.5	79	-171.7	0	0	113.2
315	N	95.7	Very high	94.8	Very high	111 Å²	111	36.3 Å²	36.3	59%	0.594	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	13.1	178.6	-65.1	-66	0	0	0	112.6	R245 D313 V317	R245-N315 WeakPolarHBondContact CD-O 3.38Å; R245-N315 WeakPolarHBondContact CG-O 3.43Å; D313-N315 PolarHBondContact O-N 3.33Å; D313-N315 VanDerWaalsContact O-N 3.11Å; D313-N315 WeakPolarHBondContact OD1-CA 3.36Å; D313-N315 WeakPolarHBondContact OD1-CB 3.34Å; D313-N315 PolarHBondContact OD1-N 3.33Å; N315-V317 HydrophobicContact CB-CG2 4.2Å; N315-V317 PolarHBondContact O-N 2.82Å
316	D	95.4	Very high	95	Very high	50 Å²	50	33.4 Å²	33.4	27%	0.267	17%	0.172	S	C	.	.			trans	63.3	15.6	-174.9	-73.5	-41.2	0	0	0	114.9	R245 V246 K287 D313	R245-D316 CarbonylContact C-O 3.29Å; R245-D316 VanDerWaalsContact CA-O 3.24Å; R245-D316 WeakPolarHBondContact CA-O 3.37Å; R245-D316 HydrophobicContact CB-CB 4.19Å; V246-D316 PolarHBondContact N-O 3.22Å; K287-D316 WeakPolarHBondContact CD-OD1 3.39Å; K287-D316 IonicContact NZ-OD1 3.21Å; K287-D316 PolarHBondContact NZ-OD1 3.38Å; K287-D316 IonicContact NZ-OD2 2.99Å; K287-D316 PolarHBondContact NZ-OD2 3.31Å; D313-D316 PolarHBondContact O-N 3.4Å; D313-D316 PolarHBondContact OD1-N 3.02Å
317	V	97.1	Very high	95.2	Very high	38 Å²	38	31.4 Å²	31.4	23%	0.23	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-75.4	130.2	177.6	-179.1	0	0	0	0	109.6	G244 R245 V312 D313 N315 K319	G244-V317 WeakPolarHBondContact O-CA 3.11Å; R245-V317 HydrophobicContact CG-CG2 4.06Å; V312-V317 VanDerWaalsContact CA-O 3.27Å; V312-V317 WeakPolarHBondContact CA-O 3.12Å; D313-V317 PolarHBondContact N-O 2.78Å; D313-V317 VanDerWaalsContact N-O 3.14Å; D313-V317 WeakPolarHBondContact OD1-CB 3.44Å; D313-V317 PolarHBondContact OD1-N 3.35Å; D313-V317 WeakPolarHBondContact OD2-CB 3.32Å; N315-V317 HydrophobicContact CB-CG2 4.2Å; N315-V317 PolarHBondContact O-N 2.82Å; V317-K319 PolarHBondContact O-N 3Å
318	V	96.9	Very high	95.4	Very high	17 Å²	17	29.3 Å²	29.3	10%	0.103	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	119.8	-178.5	-177.8	0	0	0	0	110.6	I213 M215 P238 V240 G244 V246 V310	I213-V318 HydrophobicContact CG2-CG1 4.29Å; M215-V318 HydrophobicContact SD-CB 3.78Å; M215-V318 HydrophobicContact SD-CG1 3.85Å; M215-V318 HydrophobicContact SD-CG2 4.07Å; P238-V318 HydrophobicContact CB-CG2 4.23Å; V240-V318 HydrophobicContact CG1-CG2 3.74Å; G244-V318 PolarHBondContact O-N 2.99Å; V246-V318 HydrophobicContact CB-CG2 3.75Å; V246-V318 HydrophobicContact CG2-CG2 4.35Å; V310-V318 HydrophobicContact CG1-CB 4.37Å; V310-V318 HydrophobicContact CG1-CG1 3.86Å; V310-V318 HydrophobicContact CG1-CG2 3.84Å
319	K	97.1	Very high	95.2	Very high	86 Å²	86	30 Å²	30	37%	0.374	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-26.7	171.9	-58.3	-55.3	-178.9	-168.1	0	112.7	V311 D313 V317	V311-K319 HydrophobicContact CG1-CB 4.42Å; V311-K319 PolarHBondContact O-N 3.49Å; D313-K319 VanDerWaalsContact CB-CE 3.45Å; D313-K319 HydrophobicContact CB-CG 4.37Å; D313-K319 VanDerWaalsContact CG-CE 3.46Å; D313-K319 WeakPolarHBondContact OD2-CE 3.41Å; D313-K319 IonicContact OD2-NZ 2.75Å; D313-K319 PolarHBondContact OD2-NZ 3.08Å; V317-K319 PolarHBondContact O-N 3Å
320	G	96.4	Very high	94.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-173.8	-176.2	0	0	0	0	0	114.3	T209 V311	T209-G320 CarbonylContact O-C 3.51Å; T209-G320 WeakPolarHBondContact O-CA 3.44Å; V311-G320 PolarHBondContact N-O 3.16Å; V311-G320 PolarHBondContact O-N 2.57Å
321	I	96.5	Very high	94.4	Very high	30 Å²	30	30.6 Å²	30.6	15%	0.154	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.3	175.1	-62	177.7	0	0	0	108.7	G208 T209 I213 P238 R308	G208-I321 WeakPolarHBondContact CA-O 3.28Å; T209-I321 PolarHBondContact N-O 2.83Å; T209-I321 PolarHBondContact O-N 3.34Å; I213-I321 HydrophobicContact CG2-CD1 3.73Å; I213-I321 HydrophobicContact CG2-CG1 4Å; P238-I321 HydrophobicContact CG-CD1 3.74Å; P238-I321 HydrophobicContact CG-CG1 4.28Å; R308-I321 HydrophobicContact CB-CG2 3.95Å; R308-I321 HydrophobicContact CG-CG2 3.99Å
322	V	96.6	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.6	169.1	179.7	0	0	0	0	108.9	L202 I207 I297 R308 L309 V311 I327	L202-V322 HydrophobicContact CD1-CG1 4.36Å; L202-V322 HydrophobicContact CD1-CG2 3.64Å; L202-V322 HydrophobicContact CD2-CG2 3.41Å; L202-V322 VanDerWaalsContact CD2-CG2 3.41Å; L202-V322 HydrophobicContact CG-CG2 4.05Å; I207-V322 HydrophobicContact CG2-CG1 4.3Å; I297-V322 HydrophobicContact CG2-CG1 4.27Å; R308-V322 CarbonylContact C-O 3.54Å; R308-V322 WeakPolarHBondContact CA-O 3.33Å; R308-V322 WeakPolarHBondContact CB-O 3.1Å; L309-V322 PolarHBondContact N-O 3.29Å; L309-V322 PolarHBondContact O-N 3.11Å; V311-V322 HydrophobicContact CG2-CG2 3.67Å; V322-I327 HydrophobicContact CG1-CD1 3.97Å; V322-I327 HydrophobicContact CG1-CG1 3.87Å
323	S	94.3	Very high	92.4	Very high	12 Å²	12	34.2 Å²	34.2	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	161.4	177.9	72.4	0	0	0	0	112.6	S325 D326 I327	S323-S325 PolarHBondContact O-N 2.92Å; S323-S325 PolarHBondContact OG-N 3.09Å; S323-S325 PolarHBondContact OG-OG 2.99Å; S323-D326 WeakPolarHBondContact CB-OD2 3.49Å; S323-D326 PolarHBondContact N-OD2 2.77Å; S323-D326 PolarHBondContact O-N 3.36Å; S323-D326 VanDerWaalsContact OG-CG 3.23Å; S323-D326 PolarHBondContact OG-N 3.24Å; S323-D326 PolarHBondContact OG-OD2 3.34Å; S323-I327 PolarHBondContact O-N 3.12Å; S323-I327 VanDerWaalsContact O-N 3.14Å
324	L	93.9	Very high	90.7	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-31.6	171.5	-65	173.5	0	0	0	112.8	H178 K179 L182 L301 H307 L328	H178-L324 HydrophobicContact CB-CB 3.82Å; H178-L324 HydrophobicContact CB-CD1 4.26Å; K179-L324 HydrophobicContact CB-CD1 3.81Å; K179-L324 HydrophobicContact CG-CD1 4.41Å; L182-L324 HydrophobicContact CB-CD2 4.39Å; L182-L324 HydrophobicContact CD2-CD2 3.28Å; L182-L324 HydrophobicContact CG-CD2 4.45Å; L301-L324 HydrophobicContact CB-CD2 4.29Å; L301-L324 HydrophobicContact CD1-CD2 4.16Å; H307-L324 HydrophobicContact CB-CD1 4.39Å; H307-L324 WeakPolarHBondContact O-CG 3.42Å; H307-L324 PolarHBondContact O-N 3.09Å; L324-L328 WeakPolarHBondContact O-CB 3.44Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.03Å
325	S	92.4	Very high	88.6	Confident	34 Å²	34	30.7 Å²	30.7	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-68.2	-39.2	175.2	32.7	0	0	0	0	112.3	S323 I327 Q329	S323-S325 PolarHBondContact O-N 2.92Å; S323-S325 PolarHBondContact OG-N 3.09Å; S323-S325 PolarHBondContact OG-OG 2.99Å; S325-I327 VanDerWaalsContact C-N 3.34Å; S325-Q329 WeakPolarHBondContact O-CB 3.45Å; S325-Q329 PolarHBondContact O-N 3.24Å
326	D	93.4	Very high	86.2	Confident	20 Å²	20	27.4 Å²	27.4	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-41.9	177.3	-57.1	-58.4	0	0	0	110.5	I207 S323 Q329 A330 K339	I207-D326 HydrophobicContact CG2-CB 3.9Å; S323-D326 WeakPolarHBondContact CB-OD2 3.49Å; S323-D326 PolarHBondContact N-OD2 2.77Å; S323-D326 PolarHBondContact O-N 3.36Å; S323-D326 VanDerWaalsContact OG-CG 3.23Å; S323-D326 PolarHBondContact OG-N 3.24Å; S323-D326 PolarHBondContact OG-OD2 3.34Å; D326-Q329 PolarHBondContact O-N 3.17Å; D326-A330 PolarHBondContact O-N 3.11Å; D326-K339 IonicContact OD1-NZ 2.86Å
327	I	93.3	Very high	83.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-51.5	177.3	-67.1	174.2	0	0	0	110.9	L182 I207 L294 I297 I298 L301 V322 S323 S325 Q329 A330 L331	L182-I327 HydrophobicContact CD1-CG2 3.98Å; L182-I327 HydrophobicContact CD2-CG2 4.47Å; I207-I327 HydrophobicContact CG2-CG1 4.38Å; L294-I327 HydrophobicContact CD1-CG1 4.31Å; I297-I327 HydrophobicContact CG2-CD1 4.01Å; I298-I327 HydrophobicContact CD1-CG2 3.88Å; I298-I327 HydrophobicContact CG1-CD1 4.15Å; I298-I327 HydrophobicContact CG1-CG2 3.87Å; L301-I327 HydrophobicContact CD1-CD1 3.14Å; V322-I327 HydrophobicContact CG1-CD1 3.97Å; V322-I327 HydrophobicContact CG1-CG1 3.87Å; S323-I327 PolarHBondContact O-N 3.12Å; S323-I327 VanDerWaalsContact O-N 3.14Å; S325-I327 VanDerWaalsContact C-N 3.34Å; I327-Q329 PolarHBondContact O-N 2.88Å; I327-A330 WeakPolarHBondContact O-CB 3.4Å; I327-A330 PolarHBondContact O-N 3.4Å; I327-L331 HydrophobicContact CG2-CD1 3.93Å; I327-L331 HydrophobicContact CG2-CG 4.25Å; I327-L331 VanDerWaalsContact O-CG 3.31Å; I327-L331 WeakPolarHBondContact O-CG 3.2Å; I327-L331 PolarHBondContact O-N 2.81Å
328	L	91.8	Very high	80.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-32.4	-179.8	-75	168.6	0	0	0	112.1	V151 H178 I181 L182 L185 L324 L331 V332	V151-L328 HydrophobicContact CG1-CB 3.94Å; H178-L328 HydrophobicContact CB-CD1 3.64Å; H178-L328 VanDerWaalsContact CD2-CD1 3.5Å; H178-L328 WeakPolarHBondContact CD2-CD1 3.27Å; I181-L328 HydrophobicContact CB-CD1 4.45Å; I181-L328 HydrophobicContact CG2-CD1 4.49Å; I181-L328 HydrophobicContact CG2-CD2 3.86Å; L182-L328 HydrophobicContact CD1-CD2 4.34Å; L185-L328 HydrophobicContact CD1-CD2 3.82Å; L324-L328 WeakPolarHBondContact O-CB 3.44Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.03Å; L328-L331 HydrophobicContact CD2-CD1 4.35Å; L328-L331 PolarHBondContact O-N 3.09Å; L328-V332 WeakPolarHBondContact O-CB 3.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.44Å; L328-V332 PolarHBondContact O-N 3.37Å
329	Q	90.8	Very high	77.5	Confident	43 Å²	43	44.7 Å²	44.7	20%	0.201	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-45.5	171.2	-179.3	174.9	1.9	0	0	111.7	I155 S325 D326 I327 L331 V332 L333	I155-Q329 HydrophobicContact CD1-CB 3.89Å; I155-Q329 HydrophobicContact CD1-CG 4.4Å; I155-Q329 HydrophobicContact CG1-CB 4.44Å; I155-Q329 HydrophobicContact CG2-CG 4.44Å; S325-Q329 WeakPolarHBondContact O-CB 3.45Å; S325-Q329 PolarHBondContact O-N 3.24Å; D326-Q329 PolarHBondContact O-N 3.17Å; I327-Q329 PolarHBondContact O-N 2.88Å; Q329-L331 VanDerWaalsContact C-N 3.32Å; Q329-L331 PolarHBondContact O-N 2.87Å; Q329-V332 PolarHBondContact O-N 3.26Å; Q329-L333 HydrophobicContact CG-CD1 3.55Å; Q329-L333 HydrophobicContact CG-CG 4.28Å; Q329-L333 WeakPolarHBondContact O-CB 3.35Å; Q329-L333 WeakPolarHBondContact O-CG 3.19Å; Q329-L333 PolarHBondContact O-N 2.92Å
330	A	88.9	Confident	74.5	Confident	11 Å²	11	50.1 Å²	50.1	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-35.4	177.2	0	0	0	0	0	113.1	I207 D326 I327 T334 G335	I207-A330 HydrophobicContact CD1-CB 3.41Å; I207-A330 VanDerWaalsContact CD1-CB 3.41Å; I207-A330 HydrophobicContact CG1-CB 3.7Å; D326-A330 PolarHBondContact O-N 3.11Å; I327-A330 WeakPolarHBondContact O-CB 3.4Å; I327-A330 PolarHBondContact O-N 3.4Å; A330-T334 PolarHBondContact O-N 2.86Å; A330-G335 PolarHBondContact O-N 3.46Å; A330-G335 VanDerWaalsContact O-N 3.12Å
331	L	86.1	Confident	73.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-70.9	-30	176.7	-66.4	177.6	0	0	0	112.8	Y29 L182 L185 F197 I327 L328 Q329	Y29-L331 HydrophobicContact CD1-CD1 4.2Å; Y29-L331 HydrophobicContact CD1-CD2 4.01Å; Y29-L331 HydrophobicContact CD2-CD2 4.12Å; Y29-L331 HydrophobicContact CE1-CD1 4.4Å; Y29-L331 HydrophobicContact CE1-CD2 4.18Å; Y29-L331 HydrophobicContact CE2-CD2 4.25Å; Y29-L331 HydrophobicContact CG-CD2 4Å; L182-L331 HydrophobicContact CD1-CD1 3.99Å; L185-L331 HydrophobicContact CD1-CD1 4.2Å; F197-L331 HydrophobicContact CE2-CD2 3.8Å; F197-L331 HydrophobicContact CZ-CD2 4.14Å; I327-L331 HydrophobicContact CG2-CD1 3.93Å; I327-L331 HydrophobicContact CG2-CG 4.25Å; I327-L331 VanDerWaalsContact O-CG 3.31Å; I327-L331 WeakPolarHBondContact O-CG 3.2Å; I327-L331 PolarHBondContact O-N 2.81Å; L328-L331 HydrophobicContact CD2-CD1 4.35Å; L328-L331 PolarHBondContact O-N 3.09Å; Q329-L331 VanDerWaalsContact C-N 3.32Å; Q329-L331 PolarHBondContact O-N 2.87Å
332	V	81.9	Confident	72.2	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-84.6	-41.6	177.8	163.5	0	0	0	0	112.6	M33 F148 V151 L328 Q329 T334	M33-V332 HydrophobicContact CE-CG2 3.6Å; M33-V332 HydrophobicContact SD-CG2 4.14Å; F148-V332 HydrophobicContact CD2-CG1 4.43Å; F148-V332 HydrophobicContact CD2-CG2 4.44Å; F148-V332 HydrophobicContact CE2-CB 4.41Å; F148-V332 HydrophobicContact CE2-CG1 3.66Å; F148-V332 HydrophobicContact CE2-CG2 4.38Å; F148-V332 HydrophobicContact CZ-CG1 3.91Å; V151-V332 HydrophobicContact CB-CG2 3.94Å; V151-V332 HydrophobicContact CG1-CG2 3.43Å; V151-V332 VanDerWaalsContact CG1-CG2 3.43Å; L328-V332 WeakPolarHBondContact O-CB 3.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.44Å; L328-V332 PolarHBondContact O-N 3.37Å; Q329-V332 PolarHBondContact O-N 3.26Å; V332-T334 PolarHBondContact O-N 2.85Å
333	L	70.9	Confident	70.8	Confident	67 Å²	67	56.8 Å²	56.8	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	12.1	-176.8	-62.4	177.2	0	0	0	113.3	Q329	Q329-L333 HydrophobicContact CG-CD1 3.55Å; Q329-L333 HydrophobicContact CG-CG 4.28Å; Q329-L333 WeakPolarHBondContact O-CB 3.35Å; Q329-L333 WeakPolarHBondContact O-CG 3.19Å; Q329-L333 PolarHBondContact O-N 2.92Å
334	T	60.3	Low	69.4	Low	67 Å²	67	59.5 Å²	59.5	41%	0.411	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	77.5	-177.9	46.8	0	0	0	0	113	N26 A330 V332	N26-T334 WeakPolarHBondContact O-CG2 3.09Å; A330-T334 PolarHBondContact O-N 2.86Å; V332-T334 PolarHBondContact O-N 2.85Å
335	G	51.3	Low	67.9	Low	37 Å²	37	62.9 Å²	62.9	38%	0.381	36%	0.356	S	S	.	.	S	Bend	trans	73.4	48.7	156.4	0	0	0	0	0	117.1	A330	A330-G335 PolarHBondContact O-N 3.46Å; A330-G335 VanDerWaalsContact O-N 3.12Å
336	G	43.8	Very low	66.3	Low	43 Å²	43	64.8 Å²	64.8	44%	0.443	36%	0.364	S	S	.	.			trans	94.1	33.8	159.9	0	0	0	0	0	116.2	K338	G336-K338 PolarHBondContact O-N 3.48Å
337	E	36.4	Very low	64.3	Low	148 Å²	148	68 Å²	68	69%	0.692	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-62.6	121.7	161.2	-71.5	-164.4	155.9	0	0	109.8	K339	E337-K339 PolarHBondContact O-N 2.65Å
338	K	35.6	Very low	62.1	Low	200 Å²	200	73.2 Å²	73.2	87%	0.87	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-52.6	136.2	-173.2	-75.6	178.5	175.9	176.1	0	111.2	G336	G336-K338 PolarHBondContact O-N 3.48Å
339	K	35.7	Very low	59.6	Low	119 Å²	119	79.3 Å²	79.3	52%	0.517	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-52.3	132.9	162	-81.9	174.3	178.4	162	0	108.3	D326 E337	D326-K339 IonicContact OD1-NZ 2.86Å; E337-K339 PolarHBondContact O-N 2.65Å
340	P	33.8	Very low	56.8	Low	201 Å²	201	82.5 Å²	82.5	100%	1.305	47%	0.468	S	S	*	.			trans	-63.4	0	170	27.9	-33.9	0	0	0	111.8

Retrieved 340 of 340 residues in 71.1 ms (Link to these results)

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