A0A077ZDU1_TRITR Loading...

Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial

Succinyl-CoA synthetase functions in the citric acid cycle (TCA), coupling the hydrolysis of succinyl-CoA to the synthesis of either ATP or GTP and thus represents the only step of substrate-level phosphorylation in the TCA. The alpha subunit of the enzyme binds the substrates coenzyme A and phosphate, while succinate binding and specificity for either ATP or GTP is provided by different beta subunits.

AlphaFold DB , UniProt , Accession A0A077ZDU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 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	43.2	Very low	43.2	Very low	241 Å²	241	181.6 Å²	181.6	100%	1.187	87%	0.869	S	S	*	*				0	82.1	0	-72.6	169.5	165.2	0	0	107.5
2	M	41.8	Very low	43.2	Very low	173 Å²	173	180.3 Å²	180.3	85%	0.852	87%	0.869	S	S	*	*				46.4	123.2	88.5	-84.1	-164.8	-174.8	0	0	113
3	R	40.6	Very low	43.3	Very low	227 Å²	227	178.8 Å²	178.8	86%	0.857	87%	0.867	S	S	*	*			cis	-155.2	146.8	10.8	-88.5	171.2	176.9	-164.2	-2.6	108.8
4	F	36.2	Very low	43.1	Very low	210 Å²	210	182.5 Å²	182.5	92%	0.921	87%	0.867	S	S	*	*			trans	-80.9	144.9	160.6	-92.2	-101	0	0	0	110.8
5	R	45.6	Very low	43.3	Very low	236 Å²	236	186.5 Å²	186.5	89%	0.891	87%	0.87	S	S	*	*			trans	-169.4	98.7	148.8	-103.2	176.9	-175.5	-144	-0.6	108.9
6	T	46.6	Very low	43.5	Very low	111 Å²	111	182 Å²	182	68%	0.681	87%	0.866	S	S	*	*				60.7	101	105.6	55.4	0	0	0	0	114
7	L	42.8	Very low	43.3	Very low	165 Å²	165	175.4 Å²	175.4	86%	0.864	86%	0.857	S	S	*	*				98	109.7	78.4	-90.8	167.4	0	0	0	112.1
8	A	46.2	Very low	43.2	Very low	91 Å²	91	171.5 Å²	171.5	75%	0.752	85%	0.849	S	S	*	*			trans	-152.3	123.7	147	0	0	0	0	0	107.8
9	P	43	Very low	43.3	Very low	122 Å²	122	171.2 Å²	171.2	79%	0.792	85%	0.85	S	S	*	*			trans	-88.7	115.9	180	32.3	-27.3	0	0	0	109.8	R11	P9-R11 PolarHBondContact O-N 3.48Å
10	Q	45.9	Very low	43.5	Very low	186 Å²	186	169.9 Å²	169.9	87%	0.869	85%	0.846	S	S	*	*			trans	-83.6	110.5	163.7	-79.4	-178.4	-15.2	0	0	108.9	L12	Q10-L12 PolarHBondContact O-N 3.21Å
11	R	43.2	Very low	43.7	Very low	236 Å²	236	170.9 Å²	170.9	89%	0.891	85%	0.845	S	S	*	*			trans	-59.1	115	170.8	-80.1	179.3	170.2	-160.3	-2.6	109.6	P9 L13	P9-R11 PolarHBondContact O-N 3.48Å; R11-L13 PolarHBondContact O-N 3.1Å; R11-L13 VanDerWaalsContact O-N 3.1Å
12	L	43.3	Very low	44.2	Very low	166 Å²	166	165.2 Å²	165.2	87%	0.869	82%	0.824	S	S	*	*			trans	-65.3	102.7	161.1	-96.7	91.8	0	0	0	109.1	Q10 R14	Q10-L12 PolarHBondContact O-N 3.21Å; L12-R14 PolarHBondContact O-N 3.24Å
13	L	45	Very low	45.2	Very low	161 Å²	161	161.4 Å²	161.4	84%	0.843	81%	0.81	S	S	*	*			trans	-74.4	98.8	158.2	-89.3	139.1	0	0	0	107.9	R11 R15	R11-L13 PolarHBondContact O-N 3.1Å; R11-L13 VanDerWaalsContact O-N 3.1Å; L13-R15 PolarHBondContact O-N 2.97Å
14	R	40.6	Very low	46.5	Very low	230 Å²	230	161.5 Å²	161.5	87%	0.868	81%	0.81	S	S	*	*			trans	-61	99.7	160.7	-91.2	-176.2	170.3	-155.2	-1.5	107.9	L12 S16	L12-R14 PolarHBondContact O-N 3.24Å; R14-S16 PolarHBondContact O-N 3.1Å; R14-S16 VanDerWaalsContact O-N 3.1Å
15	R	45	Very low	48.4	Very low	243 Å²	243	157.9 Å²	157.9	92%	0.917	79%	0.792	S	S	*	*			trans	-69.7	98.5	160.9	-79.8	-176.2	169	-170.2	-2.7	107.4	L13 G17	L13-R15 PolarHBondContact O-N 2.97Å; R15-G17 PolarHBondContact O-N 2.93Å
16	S	46.5	Very low	50.4	Low	114 Å²	114	149.9 Å²	149.9	80%	0.797	77%	0.766	S	S	*	*			trans	-61.4	102.6	160.1	-68.6	0	0	0	0	107.5	R14 C18	R14-S16 PolarHBondContact O-N 3.1Å; R14-S16 VanDerWaalsContact O-N 3.1Å; S16-C18 VanDerWaalsContact C-N 3.29Å; S16-C18 PolarHBondContact O-N 3.01Å
17	G	41.2	Very low	52.8	Low	70 Å²	70	145.3 Å²	145.3	72%	0.722	74%	0.737	S	S	*	*			trans	-66.9	90.4	170	0	0	0	0	0	108.9	R15 L19	R15-G17 PolarHBondContact O-N 2.93Å; G17-L19 VanDerWaalsContact C-N 3.32Å; G17-L19 PolarHBondContact O-N 3.01Å
18	C	41.2	Very low	55.3	Low	105 Å²	105	140.6 Å²	140.6	71%	0.709	71%	0.712	S	S	*	*			trans	-66.9	97.8	162.4	-170.6	0	0	0	0	106.7	S16 L20	S16-C18 VanDerWaalsContact C-N 3.29Å; S16-C18 PolarHBondContact O-N 3.01Å; C18-L20 PolarHBondContact O-N 2.94Å
19	L	44.9	Very low	57.6	Low	166 Å²	166	140.3 Å²	140.3	87%	0.869	70%	0.698	S	S	*	*			trans	-62.8	88.9	163.4	-91.8	134.3	0	0	0	107	G17 K21	G17-L19 VanDerWaalsContact C-N 3.32Å; G17-L19 PolarHBondContact O-N 3.01Å; L19-K21 VanDerWaalsContact C-N 3.26Å; L19-K21 PolarHBondContact O-N 3.45Å
20	L	47.1	Very low	60.2	Low	145 Å²	145	134.5 Å²	134.5	76%	0.759	66%	0.66	S	S	*	*			trans	-59.3	95.6	163.8	-80.5	157.3	0	0	0	106.7	C18 T22	C18-L20 PolarHBondContact O-N 2.94Å; L20-T22 VanDerWaalsContact C-N 3.35Å; L20-T22 PolarHBondContact O-N 3.3Å
21	K	47.1	Very low	62.7	Low	191 Å²	191	127 Å²	127	83%	0.83	62%	0.624	S	S	*	*			trans	-56.4	104.6	164.7	-80.3	-175.7	176.3	-179	0	106.2	L19 V23	L19-K21 VanDerWaalsContact C-N 3.26Å; L19-K21 PolarHBondContact O-N 3.45Å; K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 2.83Å
22	T	54.4	Low	65.3	Low	121 Å²	121	121.1 Å²	121.1	74%	0.742	60%	0.602	S	S	*	*			trans	-66.5	96.7	171.6	-43.8	0	0	0	0	106.5	L20 R24	L20-T22 VanDerWaalsContact C-N 3.35Å; L20-T22 PolarHBondContact O-N 3.3Å; T22-R24 PolarHBondContact O-N 3.06Å
23	V	62.5	Low	67.9	Low	93 Å²	93	116.1 Å²	116.1	56%	0.564	57%	0.572	S	S	*	*			trans	-63.5	106.4	170.8	-179.8	0	0	0	0	106	K21 Y25	K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 2.83Å; V23-Y25 HydrophobicContact CG1-CD1 4.1Å; V23-Y25 HydrophobicContact CG1-CE1 3.7Å; V23-Y25 HydrophobicContact CG1-CE2 4.41Å; V23-Y25 PolarHBondContact O-N 3.4Å
24	R	67.5	Low	70.5	Confident	230 Å²	230	108.4 Å²	108.4	87%	0.868	53%	0.532	S	S	*	.			trans	-80.9	103.7	172.9	-74.7	-175	179.2	177.1	-0.3	106.9	T22	T22-R24 PolarHBondContact O-N 3.06Å
25	Y	76	Confident	73.2	Confident	134 Å²	134	103.1 Å²	103.1	53%	0.525	51%	0.512	S	S	.	.			trans	-70.4	130.5	168.8	-55.8	-74.8	0	0	0	108.8	V23 K145	V23-Y25 HydrophobicContact CG1-CD1 4.1Å; V23-Y25 HydrophobicContact CG1-CE1 3.7Å; V23-Y25 HydrophobicContact CG1-CE2 4.41Å; V23-Y25 PolarHBondContact O-N 3.4Å; Y25-K145 WeakPolarHBondContact CD2-O 3.44Å
26	N	88.9	Confident	75.7	Confident	68 Å²	68	91.7 Å²	91.7	36%	0.364	47%	0.469	S	S	.	.			trans	-119.8	105.9	170.8	-173.3	10.9	0	0	0	109.1	D28 D29 S147	N26-D28 PolarHBondContact O-N 2.85Å; N26-D28 WeakPolarHBondContact OD1-CB 3.4Å; N26-D28 PolarHBondContact OD1-N 2.74Å; N26-D28 VanDerWaalsContact OD1-N 3.15Å; N26-D29 PolarHBondContact ND2-OD1 2.78Å; N26-D29 WeakPolarHBondContact O-CB 3.41Å; N26-D29 PolarHBondContact O-N 2.86Å; N26-D29 VanDerWaalsContact O-N 3.12Å; N26-S147 WeakPolarHBondContact O-CB 3.19Å
27	Y	96.1	Very high	78.2	Confident	15 Å²	15	88.9 Å²	88.9	6%	0.059	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-61.1	-26.4	177.9	-177.1	-119.1	0	0	0	111.7	D29 S30 L143 L144 Q146 C149 R150 L151 G217	Y27-D29 PolarHBondContact O-N 2.89Å; Y27-S30 WeakPolarHBondContact O-CB 3.14Å; Y27-S30 PolarHBondContact O-N 3.21Å; Y27-S30 PolarHBondContact O-OG 3.34Å; Y27-L143 HydrophobicContact CD2-CB 4.3Å; Y27-L143 WeakPolarHBondContact CD2-O 3.23Å; Y27-L143 HydrophobicContact CE1-CB 4.46Å; Y27-L143 HydrophobicContact CE2-CB 3.91Å; Y27-L143 HydrophobicContact CE2-CD2 3.72Å; Y27-L143 HydrophobicContact CE2-CG 4.34Å; Y27-L144 HydrophobicContact CD1-CD2 4.07Å; Y27-L144 HydrophobicContact CG-CD2 4.47Å; Y27-Q146 WeakPolarHBondContact CA-O 3.22Å; Y27-Q146 VanDerWaalsContact CD2-NE2 3.28Å; Y27-Q146 VanDerWaalsContact CE2-NE2 3.34Å; Y27-C149 WeakPolarHBondContact CE2-O 3.32Å; Y27-R150 PolarHBondContact O-NH2 3.39Å; Y27-L151 PolarHBondContact OH-N 2.79Å; Y27-G217 VanDerWaalsContact CE1-O 3.23Å; Y27-G217 WeakPolarHBondContact CE1-O 3.35Å; Y27-G217 PolarHBondContact OH-O 3.25Å
28	D	95.5	Very high	80.9	Confident	65 Å²	65	88.7 Å²	88.7	35%	0.348	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-62.5	-28.4	177.1	-68.2	-6.2	0	0	0	112.7	N26 S30 R31	N26-D28 PolarHBondContact O-N 2.85Å; N26-D28 WeakPolarHBondContact OD1-CB 3.4Å; N26-D28 PolarHBondContact OD1-N 2.74Å; N26-D28 VanDerWaalsContact OD1-N 3.15Å; D28-S30 PolarHBondContact O-N 2.98Å; D28-S30 VanDerWaalsContact O-N 3.15Å; D28-R31 VanDerWaalsContact CG-CZ 3.48Å; D28-R31 VanDerWaalsContact O-CB 3.28Å; D28-R31 WeakPolarHBondContact O-CB 3.43Å; D28-R31 WeakPolarHBondContact O-CD 3.2Å; D28-R31 WeakPolarHBondContact O-CG 3.45Å; D28-R31 PolarHBondContact O-N 2.85Å; D28-R31 IonicContact OD1-CZ 2.75Å; D28-R31 IonicContact OD1-NH2 3.77Å; D28-R31 PolarHBondContact OD1-NH2 2.85Å; D28-R31 VanDerWaalsContact OD1-NH2 3.1Å; D28-R31 IonicContact OD2-CZ 2.8Å; D28-R31 IonicContact OD2-NH1 2.72Å; D28-R31 IonicContact OD2-NH2 3.03Å; D28-R31 PolarHBondContact OD2-NH2 2.89Å
29	D	95.6	Very high	83.6	Confident	85 Å²	85	88.8 Å²	88.8	46%	0.455	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-61.9	-27.2	176.7	-62	-9.6	0	0	0	111	N26 Y27 R31 R32	N26-D29 PolarHBondContact ND2-OD1 2.78Å; N26-D29 WeakPolarHBondContact O-CB 3.41Å; N26-D29 PolarHBondContact O-N 2.86Å; N26-D29 VanDerWaalsContact O-N 3.12Å; Y27-D29 PolarHBondContact O-N 2.89Å; D29-R31 PolarHBondContact O-N 3.27Å; D29-R32 WeakPolarHBondContact O-CG 3.48Å; D29-R32 PolarHBondContact O-NH1 2.83Å
30	S	97.5	Very high	86.2	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-74.1	-6.1	179.3	84.9	0	0	0	0	113.6	Y27 D28 R32 Y33 C149 R150	Y27-S30 WeakPolarHBondContact O-CB 3.14Å; Y27-S30 PolarHBondContact O-N 3.21Å; Y27-S30 PolarHBondContact O-OG 3.34Å; D28-S30 PolarHBondContact O-N 2.98Å; D28-S30 VanDerWaalsContact O-N 3.15Å; S30-R32 PolarHBondContact O-N 3.47Å; S30-R32 VanDerWaalsContact O-N 3.09Å; S30-Y33 WeakPolarHBondContact O-CB 2.97Å; S30-Y33 WeakPolarHBondContact O-CD2 3.44Å; S30-Y33 PolarHBondContact O-N 2.87Å; S30-C149 VanDerWaalsContact CB-O 3.25Å; S30-C149 WeakPolarHBondContact CB-O 3.24Å; S30-C149 PolarHBondContact OG-O 2.86Å; S30-R150 WeakPolarHBondContact O-CB 3.21Å; S30-R150 PolarHBondContact OG-NE 3.5Å; S30-R150 PolarHBondContact OG-NH2 3.3Å
31	R	98	Very high	88.7	Confident	30 Å²	30	76.4 Å²	76.4	11%	0.113	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-51.8	-31.9	171.6	-73.6	170.9	-172.5	155.7	8.4	112.5	D28 D29 Y33 L34 D222 D225	D28-R31 VanDerWaalsContact CG-CZ 3.48Å; D28-R31 VanDerWaalsContact O-CB 3.28Å; D28-R31 WeakPolarHBondContact O-CB 3.43Å; D28-R31 WeakPolarHBondContact O-CD 3.2Å; D28-R31 WeakPolarHBondContact O-CG 3.45Å; D28-R31 PolarHBondContact O-N 2.85Å; D28-R31 IonicContact OD1-CZ 2.75Å; D28-R31 IonicContact OD1-NH2 3.77Å; D28-R31 PolarHBondContact OD1-NH2 2.85Å; D28-R31 VanDerWaalsContact OD1-NH2 3.1Å; D28-R31 IonicContact OD2-CZ 2.8Å; D28-R31 IonicContact OD2-NH1 2.72Å; D28-R31 IonicContact OD2-NH2 3.03Å; D28-R31 PolarHBondContact OD2-NH2 2.89Å; D29-R31 PolarHBondContact O-N 3.27Å; R31-Y33 PolarHBondContact O-N 2.63Å; R31-Y33 VanDerWaalsContact O-N 3.12Å; R31-L34 VanDerWaalsContact O-CB 3.32Å; R31-L34 WeakPolarHBondContact O-CB 3.26Å; R31-L34 WeakPolarHBondContact O-CG 3.38Å; R31-L34 PolarHBondContact O-N 3.03Å; R31-D222 HydrophobicContact CG-CB 4.05Å; R31-D222 IonicContact CZ-OD1 3.59Å; R31-D222 IonicContact NE-OD1 2.7Å; R31-D222 PolarHBondContact NE-OD1 3.14Å; R31-D222 IonicContact NH2-OD1 3.51Å; R31-D222 PolarHBondContact NH2-OD1 3.47Å; R31-D225 WeakPolarHBondContact CD-OD2 3.41Å; R31-D225 IonicContact CZ-OD2 3.94Å; R31-D225 IonicContact NE-OD2 3.29Å; R31-D225 IonicContact NH1-OD2 3.89Å; R31-D225 PolarHBondContact NH1-OD2 2.95Å
32	R	97.2	Very high	91.1	Very high	112 Å²	112	67.3 Å²	67.3	42%	0.423	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-53.3	-31.6	176.8	69.8	-174.5	176.9	-97.7	0.2	113.3	D29 S30 L34 R35 S147	D29-R32 WeakPolarHBondContact O-CG 3.48Å; D29-R32 PolarHBondContact O-NH1 2.83Å; S30-R32 PolarHBondContact O-N 3.47Å; S30-R32 VanDerWaalsContact O-N 3.09Å; R32-L34 PolarHBondContact O-N 2.83Å; R32-R35 WeakPolarHBondContact O-CB 3.38Å; R32-R35 PolarHBondContact O-N 2.84Å; R32-R35 VanDerWaalsContact O-N 3.15Å; R32-S147 PolarHBondContact NH2-O 3.25Å
33	Y	98.4	Very high	93.3	Very high	60 Å²	60	61.5 Å²	61.5	24%	0.235	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-73.4	-10.9	-178.3	-59.4	-51.3	0	0	0	113.6	S30 R31 R35 P122 D148 R150	S30-Y33 WeakPolarHBondContact O-CB 2.97Å; S30-Y33 WeakPolarHBondContact O-CD2 3.44Å; S30-Y33 PolarHBondContact O-N 2.87Å; R31-Y33 PolarHBondContact O-N 2.63Å; R31-Y33 VanDerWaalsContact O-N 3.12Å; Y33-R35 PolarHBondContact O-N 2.87Å; Y33-P122 HydrophobicContact CD1-CB 3.55Å; Y33-P122 HydrophobicContact CD2-CB 4.29Å; Y33-P122 VanDerWaalsContact CD2-O 3.23Å; Y33-P122 WeakPolarHBondContact CD2-O 3.34Å; Y33-P122 HydrophobicContact CE1-CB 3.58Å; Y33-P122 HydrophobicContact CE1-CG 4.46Å; Y33-P122 HydrophobicContact CE2-CB 4.33Å; Y33-P122 HydrophobicContact CG-CB 3.91Å; Y33-D148 WeakPolarHBondContact CE2-O 3.47Å; Y33-R150 HydrophobicContact CD2-CB 4.23Å
34	L	98.6	Very high	95	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-68.6	-17.4	169.4	-61.4	174.9	0	0	0	112.3	R31 R32 I36 L123 R150 V152 I159 T218 L226	R31-L34 VanDerWaalsContact O-CB 3.32Å; R31-L34 WeakPolarHBondContact O-CB 3.26Å; R31-L34 WeakPolarHBondContact O-CG 3.38Å; R31-L34 PolarHBondContact O-N 3.03Å; R32-L34 PolarHBondContact O-N 2.83Å; L34-I36 PolarHBondContact O-N 3.46Å; L34-L123 HydrophobicContact CD2-CD1 4.16Å; L34-R150 HydrophobicContact CD2-CG 3.8Å; L34-R150 HydrophobicContact CG-CG 4.07Å; L34-V152 HydrophobicContact CD2-CG2 3.39Å; L34-I159 HydrophobicContact CB-CD1 4.27Å; L34-I159 HydrophobicContact CD2-CD1 4.26Å; L34-I159 WeakPolarHBondContact O-CD1 3.48Å; L34-T218 HydrophobicContact CD1-CG2 3.97Å; L34-T218 HydrophobicContact CD2-CG2 4.33Å; L34-L226 HydrophobicContact CB-CD2 3.7Å; L34-L226 HydrophobicContact CD1-CD2 4.45Å
35	R	97.8	Very high	96.5	Very high	118 Å²	118	46.3 Å²	46.3	45%	0.445	22%	0.218	S	C	.	.			trans	-79.4	60.6	-179.3	-60.3	-178.3	170.1	-178.8	-6.7	112.3	R32 Y33 L226	R32-R35 WeakPolarHBondContact O-CB 3.38Å; R32-R35 PolarHBondContact O-N 2.84Å; R32-R35 VanDerWaalsContact O-N 3.15Å; Y33-R35 PolarHBondContact O-N 2.87Å; R35-L226 HydrophobicContact CG-CD1 3.72Å; R35-L226 HydrophobicContact CG-CD2 3.95Å; R35-L226 HydrophobicContact CG-CG 4.1Å; R35-L226 VanDerWaalsContact NE-CD1 3.3Å
36	I	98.6	Very high	97.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	20%	0.203	C	C	.	.			trans	-61.5	152.7	172.8	63.7	169.9	0	0	0	110.9	L34 T40 L123 I159 R161 C165 I167 L206	L34-I36 PolarHBondContact O-N 3.46Å; I36-T40 HydrophobicContact CB-CG2 4.33Å; I36-T40 HydrophobicContact CG2-CG2 4.15Å; I36-L123 HydrophobicContact CG2-CD2 3.41Å; I36-L123 VanDerWaalsContact CG2-CD2 3.41Å; I36-I159 HydrophobicContact CD1-CB 4.42Å; I36-I159 HydrophobicContact CD1-CD1 4.48Å; I36-I159 HydrophobicContact CD1-CG1 3.9Å; I36-I159 HydrophobicContact CD1-CG2 4.01Å; I36-I159 HydrophobicContact CG1-CD1 4.45Å; I36-I159 HydrophobicContact CG1-CG1 4.33Å; I36-R161 HydrophobicContact CD1-CB 4.36Å; I36-R161 HydrophobicContact CG1-CB 3.97Å; I36-R161 WeakPolarHBondContact O-CD 3.3Å; I36-C165 HydrophobicContact CB-CB 4.43Å; I36-C165 HydrophobicContact CD1-CB 4.09Å; I36-C165 HydrophobicContact CG1-CB 4.4Å; I36-I167 HydrophobicContact CD1-CD1 4.49Å; I36-I167 HydrophobicContact CD1-CG1 4.38Å; I36-I167 HydrophobicContact CG2-CD1 4.04Å; I36-L206 HydrophobicContact CG1-CD1 4.09Å
37	N	98.3	Very high	98	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.294	19%	0.185	S	C	.	.			trans	-153.6	-175.2	-178.6	60.5	35.4	0	0	0	110.3	D39 T40 C165	N37-D39 PolarHBondContact O-N 3.05Å; N37-D39 WeakPolarHBondContact OD1-CA 3.45Å; N37-D39 WeakPolarHBondContact OD1-CB 3.31Å; N37-D39 PolarHBondContact OD1-N 2.85Å; N37-T40 PolarHBondContact N-OG1 3.33Å; N37-T40 WeakPolarHBondContact O-CB 3.5Å; N37-T40 PolarHBondContact O-N 3.46Å; N37-T40 PolarHBondContact O-OG1 3.13Å; N37-T40 VanDerWaalsContact O-OG1 3.13Å; N37-T40 PolarHBondContact OD1-N 2.65Å; N37-T40 PolarHBondContact OD1-OG1 3.25Å; N37-C165 WeakPolarHBondContact O-CB 3.5Å
38	S	98.2	Very high	98.1	Very high	67 Å²	67	38.4 Å²	38.4	47%	0.469	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	-179.3	47.7	0	0	0	0	114.6
39	D	98.4	Very high	98.2	Very high	106 Å²	106	36.9 Å²	36.9	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.3	-178	-61.1	-49.1	0	0	0	113.2	N37 K41	N37-D39 PolarHBondContact O-N 3.05Å; N37-D39 WeakPolarHBondContact OD1-CA 3.45Å; N37-D39 WeakPolarHBondContact OD1-CB 3.31Å; N37-D39 PolarHBondContact OD1-N 2.85Å; D39-K41 PolarHBondContact O-N 2.88Å
40	T	98.8	Very high	98.3	Very high	12 Å²	12	41.6 Å²	41.6	7%	0.074	21%	0.207	C	C	.	.			trans	-59.1	108.7	-175.8	-56.2	0	0	0	0	111	I36 N37 V42 D98 A99 I167	I36-T40 HydrophobicContact CB-CG2 4.33Å; I36-T40 HydrophobicContact CG2-CG2 4.15Å; N37-T40 PolarHBondContact N-OG1 3.33Å; N37-T40 WeakPolarHBondContact O-CB 3.5Å; N37-T40 PolarHBondContact O-N 3.46Å; N37-T40 PolarHBondContact O-OG1 3.13Å; N37-T40 VanDerWaalsContact O-OG1 3.13Å; N37-T40 PolarHBondContact OD1-N 2.65Å; N37-T40 PolarHBondContact OD1-OG1 3.25Å; T40-V42 HydrophobicContact CG2-CG2 4.34Å; T40-D98 HydrophobicContact CG2-CB 3.91Å; T40-A99 HydrophobicContact CG2-CB 4.14Å; T40-I167 HydrophobicContact CG2-CD1 4.42Å
41	K	98.8	Very high	98.3	Very high	39 Å²	39	46.9 Å²	46.9	17%	0.17	23%	0.232	C	C	.	.			trans	-78.1	127.9	175.7	-69.9	178.5	-70.7	170.8	0	110	D39 K65 V67 T95 D96 A97 D98 A99	D39-K41 PolarHBondContact O-N 2.88Å; K41-K65 WeakPolarHBondContact CA-O 3.46Å; K41-K65 HydrophobicContact CG-CD 3.79Å; K41-K65 HydrophobicContact CG-CG 4.29Å; K41-V67 HydrophobicContact CB-CG1 4.03Å; K41-V67 HydrophobicContact CB-CG2 4.11Å; K41-V67 HydrophobicContact CD-CG1 4.33Å; K41-V67 HydrophobicContact CG-CG1 3.95Å; K41-T95 WeakPolarHBondContact CD-O 3.28Å; K41-T95 PolarHBondContact NZ-O 3.29Å; K41-D96 WeakPolarHBondContact CE-O 3.47Å; K41-D96 VanDerWaalsContact NZ-CB 3.31Å; K41-D96 PolarHBondContact NZ-O 2.9Å; K41-D96 IonicContact NZ-OD2 2.87Å; K41-D96 PolarHBondContact NZ-OD2 3Å; K41-A97 HydrophobicContact CB-CB 4.47Å; K41-D98 PolarHBondContact N-OD2 3.09Å; K41-D98 PolarHBondContact O-N 3.15Å; K41-A99 PolarHBondContact O-N 2.79Å
42	V	98.9	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.6	-175.2	-170	0	0	0	0	111.1	T40 M59 T64 K65 L66 V67 A99 V101 I167	T40-V42 HydrophobicContact CG2-CG2 4.34Å; V42-M59 HydrophobicContact CB-CE 4.47Å; V42-M59 HydrophobicContact CG1-CE 3.97Å; V42-T64 HydrophobicContact CB-CG2 4.47Å; V42-T64 HydrophobicContact CG2-CG2 3.82Å; V42-K65 PolarHBondContact N-O 3.13Å; V42-L66 HydrophobicContact CB-CD1 4.3Å; V42-L66 HydrophobicContact CG1-CD1 4.3Å; V42-L66 CarbonylContact O-C 3.53Å; V42-L66 WeakPolarHBondContact O-CA 3.35Å; V42-L66 WeakPolarHBondContact O-CD1 3.36Å; V42-V67 WeakPolarHBondContact O-CG2 3.19Å; V42-V67 PolarHBondContact O-N 2.9Å; V42-A99 CarbonylContact C-O 3.56Å; V42-A99 WeakPolarHBondContact CA-O 3.25Å; V42-A99 HydrophobicContact CG2-CB 4.33Å; V42-V101 HydrophobicContact CG1-CG1 4.37Å; V42-I167 HydrophobicContact CG1-CD1 4.44Å; V42-I167 HydrophobicContact CG1-CG2 4.36Å; V42-I167 HydrophobicContact CG2-CD1 3.75Å; V42-I167 HydrophobicContact CG2-CG1 4.04Å
43	I	98.9	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.9	164.2	56.9	167.8	0	0	0	111.2	V67 G68 V88 A91 M92 A97 A99 T100 V101	I43-V67 HydrophobicContact CG2-CG2 3.83Å; I43-G68 WeakPolarHBondContact CA-O 3.46Å; I43-V88 HydrophobicContact CD1-CG1 4.14Å; I43-A91 HydrophobicContact CD1-CB 3.93Å; I43-A91 HydrophobicContact CG2-CB 4.31Å; I43-M92 HydrophobicContact CD1-SD 4.4Å; I43-A97 HydrophobicContact CB-CB 4.43Å; I43-A97 HydrophobicContact CG1-CB 4.13Å; I43-A97 HydrophobicContact CG2-CB 3.72Å; I43-A99 PolarHBondContact N-O 2.81Å; I43-T100 CarbonylContact O-C 3.52Å; I43-T100 WeakPolarHBondContact O-CA 3.32Å; I43-T100 PolarHBondContact O-OG1 3.42Å; I43-V101 PolarHBondContact O-N 2.95Å
44	C	98.9	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.4	175	-178	0	0	0	0	111.5	F47 L66 G68 G69 V70 V101	C44-F47 HydrophobicContact CB-CB 4.16Å; C44-F47 HydrophobicContact CB-CD2 3.68Å; C44-F47 HydrophobicContact CB-CE2 4.46Å; C44-F47 HydrophobicContact CB-CG 4.17Å; C44-F47 WeakPolarHBondContact O-CB 3.38Å; C44-L66 HydrophobicContact CB-CD1 4.33Å; C44-G68 PolarHBondContact N-O 3.16Å; C44-G69 CarbonylContact O-C 3.5Å; C44-G69 WeakPolarHBondContact O-CA 3.34Å; C44-V70 PolarHBondContact O-N 2.86Å; C44-V101 CarbonylContact C-O 3.59Å; C44-V101 WeakPolarHBondContact CA-O 3.16Å; C44-V101 HydrophobicContact CB-CG1 4.02Å
45	Q	98.8	Very high	98.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.1	168.4	-72.8	-179.6	78.2	0	0	110.6	V70 V88 T100 V101 L102 Y103 V104 A112	Q45-V70 HydrophobicContact CG-CB 4.3Å; Q45-V70 HydrophobicContact CG-CG2 4.4Å; Q45-V88 HydrophobicContact CG-CG2 3.88Å; Q45-T100 PolarHBondContact NE2-OG1 3.31Å; Q45-V101 PolarHBondContact N-O 2.79Å; Q45-L102 HydrophobicContact CB-CG 4.06Å; Q45-L102 VanDerWaalsContact NE2-CD1 3.28Å; Q45-Y103 PolarHBondContact O-N 2.99Å; Q45-V104 HydrophobicContact CB-CG1 4.43Å; Q45-A112 PolarHBondContact NE2-O 3.39Å; Q45-A112 PolarHBondContact OE1-O 3.5Å; Q45-A112 VanDerWaalsContact OE1-O 3.13Å
46	G	98	Very high	98.4	Very high	20 Å²	20	38.6 Å²	38.6	21%	0.206	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	27.2	-167.4	0	0	0	0	0	112.8	T48 G49 A52 V70	G46-T48 VanDerWaalsContact C-N 3.25Å; G46-T48 PolarHBondContact O-N 3.36Å; G46-T48 VanDerWaalsContact O-N 3.08Å; G46-G49 PolarHBondContact O-N 3.34Å; G46-A52 WeakPolarHBondContact O-CB 3.2Å; G46-V70 PolarHBondContact N-O 2.97Å
47	F	98.6	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.5	-164.8	-172.8	-153.1	0	0	0	114.9	C44 G49 A52 C56 L66 V70 H79 L80 L82 V84	C44-F47 HydrophobicContact CB-CB 4.16Å; C44-F47 HydrophobicContact CB-CD2 3.68Å; C44-F47 HydrophobicContact CB-CE2 4.46Å; C44-F47 HydrophobicContact CB-CG 4.17Å; C44-F47 WeakPolarHBondContact O-CB 3.38Å; F47-G49 VanDerWaalsContact C-N 3.32Å; F47-G49 PolarHBondContact O-N 3.09Å; F47-A52 WeakPolarHBondContact O-CB 3.37Å; F47-C56 HydrophobicContact CD2-CB 4.43Å; F47-C56 HydrophobicContact CE2-CB 3.96Å; F47-L66 HydrophobicContact CE2-CD2 3.93Å; F47-L66 HydrophobicContact CZ-CD2 4.34Å; F47-V70 PolarHBondContact N-O 3.3Å; F47-H79 HydrophobicContact CD1-CB 4.13Å; F47-H79 AromaticContact CD2-CD2 3.97Å; F47-H79 HydrophobicContact CE1-CB 3.8Å; F47-H79 WeakPolarHBondContact CE1-O 3.27Å; F47-H79 AromaticContact CE2-CD2 3.87Å; F47-H79 HydrophobicContact CZ-CB 4.27Å; F47-H79 AromaticContact CZ-CD2 3.92Å; F47-H79 WeakPolarHBondContact CZ-O 3.39Å; F47-H79 PolarHBondContact O-CD2 3.39Å; F47-H79 PolarHBondContact O-NE2 2.86Å; F47-L80 HydrophobicContact CE2-CD1 4.07Å; F47-L80 HydrophobicContact CZ-CB 4.42Å; F47-L80 HydrophobicContact CZ-CD1 4.44Å; F47-L82 HydrophobicContact CE1-CB 4.21Å; F47-L82 HydrophobicContact CZ-CB 4.11Å; F47-L82 HydrophobicContact CZ-CD1 4.24Å; F47-V84 HydrophobicContact CD1-CG2 4.04Å; F47-V84 HydrophobicContact CE1-CG2 4.29Å
48	T	98.3	Very high	98.4	Very high	31 Å²	31	44.5 Å²	44.5	19%	0.19	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.8	-176.6	65.1	0	0	0	0	113.6	G46 S71 K74 H79 V84	G46-T48 VanDerWaalsContact C-N 3.25Å; G46-T48 PolarHBondContact O-N 3.36Å; G46-T48 VanDerWaalsContact O-N 3.08Å; T48-S71 PolarHBondContact N-OG 3.12Å; T48-S71 WeakPolarHBondContact OG1-CB 3.45Å; T48-S71 PolarHBondContact OG1-OG 3.05Å; T48-K74 HydrophobicContact CG2-CD 3.79Å; T48-H79 HydrophobicContact CG2-CB 3.95Å; T48-V84 HydrophobicContact CG2-CG1 4.35Å; T48-V84 HydrophobicContact CG2-CG2 4.19Å
49	G	97.6	Very high	98.4	Very high	32 Å²	32	41.3 Å²	41.3	33%	0.33	21%	0.206	S	C	.	.	S	Bend	trans	-70.5	159.5	173.6	0	0	0	0	0	111.7	G46 F47 Q51 A52 T53	G46-G49 PolarHBondContact O-N 3.34Å; F47-G49 VanDerWaalsContact C-N 3.32Å; F47-G49 PolarHBondContact O-N 3.09Å; G49-Q51 PolarHBondContact O-N 3Å; G49-A52 PolarHBondContact O-N 3.16Å; G49-T53 WeakPolarHBondContact O-CB 3.26Å; G49-T53 PolarHBondContact O-N 2.72Å; G49-T53 PolarHBondContact O-OG1 3.15Å
50	K	97.6	Very high	98.4	Very high	184 Å²	184	39.3 Å²	39.3	80%	0.8	19%	0.194	S	C	*	.	H	α-helix	trans	-57.5	-50.2	-177.6	-177	179.1	177.2	-179.5	0	112.5	F54	K50-F54 PolarHBondContact O-N 3.5Å
51	Q	97.7	Very high	98.4	Very high	111 Å²	111	45.7 Å²	45.7	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-68.7	-44.6	-179.5	-62.8	-59.2	-18.7	0	0	111.8	G49 T53 F54 H55	G49-Q51 PolarHBondContact O-N 3Å; Q51-T53 VanDerWaalsContact C-N 3.33Å; Q51-T53 PolarHBondContact O-N 3.09Å; Q51-F54 PolarHBondContact O-N 3.31Å; Q51-H55 PolarHBondContact O-CD2 3.08Å; Q51-H55 VanDerWaalsContact O-CD2 3.31Å; Q51-H55 PolarHBondContact O-N 3.48Å
52	A	98.2	Very high	98.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-48.9	174.4	0	0	0	0	0	111.6	G46 F47 G49 F54 H55 C56 Y103	G46-A52 WeakPolarHBondContact O-CB 3.2Å; F47-A52 WeakPolarHBondContact O-CB 3.37Å; G49-A52 PolarHBondContact O-N 3.16Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.87Å; A52-H55 PolarHBondContact O-N 3.47Å; A52-C56 WeakPolarHBondContact O-CB 3.46Å; A52-C56 PolarHBondContact O-N 3.32Å; A52-C56 PolarHBondContact O-SG 3.19Å; A52-Y103 HydrophobicContact CB-CD2 4.02Å; A52-Y103 HydrophobicContact CB-CG 4.21Å
53	T	98.6	Very high	98.3	Very high	25 Å²	25	49 Å²	49	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-45.3	-179.8	-58.1	0	0	0	0	111.9	G49 Q51 R57 H79 L80	G49-T53 WeakPolarHBondContact O-CB 3.26Å; G49-T53 PolarHBondContact O-N 2.72Å; G49-T53 PolarHBondContact O-OG1 3.15Å; Q51-T53 VanDerWaalsContact C-N 3.33Å; Q51-T53 PolarHBondContact O-N 3.09Å; T53-R57 WeakPolarHBondContact O-CB 3.32Å; T53-R57 PolarHBondContact O-N 2.9Å; T53-H79 PolarHBondContact OG1-CE1 3.39Å; T53-H79 VanDerWaalsContact OG1-CE1 3.32Å; T53-H79 PolarHBondContact OG1-NE2 3.32Å; T53-L80 HydrophobicContact CG2-CD2 4.22Å
54	F	98.5	Very high	98.3	Very high	98 Å²	98	49.2 Å²	49.2	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-51.3	179.1	176.2	-99.2	0	0	0	111.6	K50 Q51 A52 R57 Q58	K50-F54 PolarHBondContact O-N 3.5Å; Q51-F54 PolarHBondContact O-N 3.31Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.87Å; F54-R57 PolarHBondContact O-N 3.03Å; F54-Q58 PolarHBondContact O-N 3.12Å
55	H	98.7	Very high	98.3	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.106	27%	0.274	C	S	.	.	H	α-helix	trans	-74.6	-34.4	-176.6	-70	-62.1	0	0	0	113.5	Q51 A52 R57 Q58 M59 Y103 I169	Q51-H55 PolarHBondContact O-CD2 3.08Å; Q51-H55 VanDerWaalsContact O-CD2 3.31Å; Q51-H55 PolarHBondContact O-N 3.48Å; A52-H55 PolarHBondContact O-N 3.47Å; H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 3.07Å; H55-Q58 PolarHBondContact O-N 2.93Å; H55-M59 VanDerWaalsContact O-CG 3.26Å; H55-M59 WeakPolarHBondContact O-CG 3.27Å; H55-M59 PolarHBondContact O-N 2.96Å; H55-Y103 HydrophobicContact CB-CE1 4Å; H55-Y103 HydrophobicContact CB-CE2 4.17Å; H55-Y103 VanDerWaalsContact CB-OH 3.27Å; H55-Y103 WeakPolarHBondContact CB-OH 3.38Å; H55-Y103 AromaticContact CD2-CE1 3.6Å; H55-Y103 AromaticContact CG-CE1 3.98Å; H55-I169 VanDerWaalsContact CE1-CG2 3.46Å; H55-I169 WeakPolarHBondContact CE1-CG2 3.37Å; H55-I169 WeakPolarHBondContact NE2-CG2 3.41Å
56	C	98.7	Very high	98.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-37.7	174.2	-72.2	0	0	0	0	111.6	F47 A52 M59 L60 L66 L80	F47-C56 HydrophobicContact CD2-CB 4.43Å; F47-C56 HydrophobicContact CE2-CB 3.96Å; A52-C56 WeakPolarHBondContact O-CB 3.46Å; A52-C56 PolarHBondContact O-N 3.32Å; A52-C56 PolarHBondContact O-SG 3.19Å; C56-M59 PolarHBondContact O-N 3.33Å; C56-L60 WeakPolarHBondContact O-CG 3.49Å; C56-L60 PolarHBondContact O-N 2.77Å; C56-L66 HydrophobicContact CB-CD2 3.6Å; C56-L80 HydrophobicContact CB-CD1 3.6Å
57	R	98.5	Very high	98.3	Very high	118 Å²	118	54.5 Å²	54.5	45%	0.445	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-47.4	172.6	-173.7	-175.2	-61.2	137	2.1	111.2	T53 F54 H55 M59 L60 E61 L80	T53-R57 WeakPolarHBondContact O-CB 3.32Å; T53-R57 PolarHBondContact O-N 2.9Å; F54-R57 PolarHBondContact O-N 3.03Å; H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 3.07Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 3.21Å; R57-L60 WeakPolarHBondContact O-CB 3.42Å; R57-L60 PolarHBondContact O-N 3.22Å; R57-E61 WeakPolarHBondContact CG-OE1 3.19Å; R57-E61 WeakPolarHBondContact O-CG 3.35Å; R57-E61 PolarHBondContact O-N 2.92Å; R57-L80 HydrophobicContact CB-CD1 4.48Å
58	Q	98.1	Very high	98.3	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-33.4	176.9	-69	-170.4	-6.5	0	0	113.2	F54 H55 Y62	F54-Q58 PolarHBondContact O-N 3.12Å; H55-Q58 PolarHBondContact O-N 2.93Å; Q58-Y62 VanDerWaalsContact O-CB 3.29Å; Q58-Y62 WeakPolarHBondContact O-CB 3.32Å; Q58-Y62 PolarHBondContact O-N 3.17Å
59	M	98.6	Very high	98.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-44.2	174.1	-73.8	170.7	58.1	0	0	111	V42 H55 C56 R57 Y62 G63 T64 L66 V101 K166 I167	V42-M59 HydrophobicContact CB-CE 4.47Å; V42-M59 HydrophobicContact CG1-CE 3.97Å; H55-M59 VanDerWaalsContact O-CG 3.26Å; H55-M59 WeakPolarHBondContact O-CG 3.27Å; H55-M59 PolarHBondContact O-N 2.96Å; C56-M59 PolarHBondContact O-N 3.33Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 3.21Å; M59-Y62 PolarHBondContact O-N 2.94Å; M59-G63 PolarHBondContact O-N 2.77Å; M59-T64 HydrophobicContact CB-CG2 4.46Å; M59-T64 HydrophobicContact CE-CG2 3.85Å; M59-T64 WeakPolarHBondContact O-CB 3.23Å; M59-T64 PolarHBondContact O-N 3.2Å; M59-T64 PolarHBondContact O-OG1 2.9Å; M59-L66 HydrophobicContact CE-CD1 4.31Å; M59-V101 HydrophobicContact CE-CG1 4.3Å; M59-V101 HydrophobicContact SD-CG1 4.38Å; M59-K166 WeakPolarHBondContact CE-O 3.49Å; M59-K166 WeakPolarHBondContact CG-O 3.5Å; M59-I167 HydrophobicContact CE-CG2 4.44Å
60	L	98.4	Very high	98.4	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.335	25%	0.25	S	C	.	.	H	α-helix	trans	-61.4	-47.9	173.7	-75	167.9	0	0	0	111.6	C56 R57 Y62 G63 L66 L80 L82	C56-L60 WeakPolarHBondContact O-CG 3.49Å; C56-L60 PolarHBondContact O-N 2.77Å; R57-L60 WeakPolarHBondContact O-CB 3.42Å; R57-L60 PolarHBondContact O-N 3.22Å; L60-Y62 PolarHBondContact O-N 2.84Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-L66 HydrophobicContact CD1-CD2 4.18Å; L60-L66 HydrophobicContact CD2-CB 3.87Å; L60-L66 HydrophobicContact CG-CB 4.2Å; L60-L66 HydrophobicContact CG-CD2 4.09Å; L60-L80 HydrophobicContact CD1-CB 4.2Å; L60-L80 HydrophobicContact CD1-CD1 4.39Å; L60-L82 HydrophobicContact CD1-CD1 4.27Å; L60-L82 HydrophobicContact CD2-CD1 4.31Å
61	E	98.1	Very high	98.4	Very high	145 Å²	145	43.5 Å²	43.5	68%	0.678	22%	0.215	S	C	*	.	H	α-helix	trans	-60.5	-32	176.6	-72.1	166.5	-174.2	0	0	112.5	R57 G63	R57-E61 WeakPolarHBondContact CG-OE1 3.19Å; R57-E61 WeakPolarHBondContact O-CG 3.35Å; R57-E61 PolarHBondContact O-N 2.92Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.18Å
62	Y	98.1	Very high	98.4	Very high	56 Å²	56	42.9 Å²	42.9	22%	0.22	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.8	175.2	-165.9	-102.9	0	0	0	113.7	Q58 M59 L60 I160 S163 K166 G172	Q58-Y62 VanDerWaalsContact O-CB 3.29Å; Q58-Y62 WeakPolarHBondContact O-CB 3.32Å; Q58-Y62 PolarHBondContact O-N 3.17Å; M59-Y62 PolarHBondContact O-N 2.94Å; L60-Y62 PolarHBondContact O-N 2.84Å; Y62-I160 HydrophobicContact CE1-CD1 4.04Å; Y62-I160 HydrophobicContact CE1-CG1 4.37Å; Y62-S163 PolarHBondContact OH-N 2.84Å; Y62-K166 HydrophobicContact CD1-CB 3.32Å; Y62-K166 HydrophobicContact CD1-CD 4.15Å; Y62-K166 HydrophobicContact CD1-CG 4.33Å; Y62-K166 HydrophobicContact CD2-CD 4.43Å; Y62-K166 HydrophobicContact CE1-CB 3.67Å; Y62-K166 HydrophobicContact CG-CB 4.06Å; Y62-K166 HydrophobicContact CG-CD 4.03Å; Y62-G172 VanDerWaalsContact CE2-C 3.49Å; Y62-G172 VanDerWaalsContact CE2-CA 3.45Å; Y62-G172 WeakPolarHBondContact CE2-O 3.32Å
63	G	98	Very high	98.3	Very high	54 Å²	54	52.9 Å²	52.9	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	13.6	-176.8	0	0	0	0	0	114.9	M59 L60 E61	M59-G63 PolarHBondContact O-N 2.77Å; L60-G63 PolarHBondContact O-N 3.05Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.18Å
64	T	98.7	Very high	98.2	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.025	28%	0.279	C	S	.	.			trans	-69.7	133.6	173.5	-55.6	0	0	0	0	110.1	V42 M59 L66 K166	V42-T64 HydrophobicContact CB-CG2 4.47Å; V42-T64 HydrophobicContact CG2-CG2 3.82Å; M59-T64 HydrophobicContact CB-CG2 4.46Å; M59-T64 HydrophobicContact CE-CG2 3.85Å; M59-T64 WeakPolarHBondContact O-CB 3.23Å; M59-T64 PolarHBondContact O-N 3.2Å; M59-T64 PolarHBondContact O-OG1 2.9Å; T64-L66 PolarHBondContact O-N 3.21Å; T64-K166 PolarHBondContact OG1-N 3.14Å; T64-K166 PolarHBondContact OG1-O 2.97Å
65	K	98.7	Very high	98.2	Very high	98 Å²	98	54.4 Å²	54.4	43%	0.426	28%	0.278	S	S	.	.			trans	-76.3	68.4	179.3	-165.4	177.5	-179.2	-178.2	0	111.7	K41 V42 V67	K41-K65 WeakPolarHBondContact CA-O 3.46Å; K41-K65 HydrophobicContact CG-CD 3.79Å; K41-K65 HydrophobicContact CG-CG 4.29Å; V42-K65 PolarHBondContact N-O 3.13Å; K65-V67 HydrophobicContact CG-CG1 4.17Å; K65-V67 PolarHBondContact O-N 2.84Å
66	L	98.8	Very high	98.1	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.5	172.6	-172.8	75.9	0	0	0	109.2	V42 C44 F47 C56 M59 L60 T64 L82	V42-L66 HydrophobicContact CB-CD1 4.3Å; V42-L66 HydrophobicContact CG1-CD1 4.3Å; V42-L66 CarbonylContact O-C 3.53Å; V42-L66 WeakPolarHBondContact O-CA 3.35Å; V42-L66 WeakPolarHBondContact O-CD1 3.36Å; C44-L66 HydrophobicContact CB-CD1 4.33Å; F47-L66 HydrophobicContact CE2-CD2 3.93Å; F47-L66 HydrophobicContact CZ-CD2 4.34Å; C56-L66 HydrophobicContact CB-CD2 3.6Å; M59-L66 HydrophobicContact CE-CD1 4.31Å; L60-L66 HydrophobicContact CD1-CD2 4.18Å; L60-L66 HydrophobicContact CD2-CB 3.87Å; L60-L66 HydrophobicContact CG-CB 4.2Å; L60-L66 HydrophobicContact CG-CD2 4.09Å; T64-L66 PolarHBondContact O-N 3.21Å; L66-L82 HydrophobicContact CB-CD1 4.09Å; L66-L82 HydrophobicContact CD2-CD1 3.72Å; L66-L82 HydrophobicContact CG-CD1 3.76Å; L66-L82 VanDerWaalsContact O-CD1 3.26Å; L66-L82 WeakPolarHBondContact O-CD1 3.45Å
67	V	98.7	Very high	98.1	Very high	29 Å²	29	60.3 Å²	60.3	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-1.9	-171.1	-66.1	0	0	0	0	114	K41 V42 I43 K65 T95 A97	K41-V67 HydrophobicContact CB-CG1 4.03Å; K41-V67 HydrophobicContact CB-CG2 4.11Å; K41-V67 HydrophobicContact CD-CG1 4.33Å; K41-V67 HydrophobicContact CG-CG1 3.95Å; V42-V67 WeakPolarHBondContact O-CG2 3.19Å; V42-V67 PolarHBondContact O-N 2.9Å; I43-V67 HydrophobicContact CG2-CG2 3.83Å; K65-V67 HydrophobicContact CG-CG1 4.17Å; K65-V67 PolarHBondContact O-N 2.84Å; V67-T95 HydrophobicContact CB-CG2 4.23Å; V67-T95 HydrophobicContact CG2-CG2 4.04Å; V67-A97 HydrophobicContact CG2-CB 4.25Å
68	G	98.7	Very high	98.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-164.9	177.8	0	0	0	0	0	112.2	I43 C44 P83	I43-G68 WeakPolarHBondContact CA-O 3.46Å; C44-G68 PolarHBondContact N-O 3.16Å; G68-P83 WeakPolarHBondContact CA-O 3.34Å
69	G	98.7	Very high	98.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	170.6	173.2	0	0	0	0	0	114.5	C44 P83 V84 F85	C44-G69 CarbonylContact O-C 3.5Å; C44-G69 WeakPolarHBondContact O-CA 3.34Å; G69-P83 PolarHBondContact N-O 2.79Å; G69-P83 VanDerWaalsContact N-O 3.13Å; G69-V84 CarbonylContact O-C 3.57Å; G69-V84 WeakPolarHBondContact O-CA 3.06Å; G69-F85 PolarHBondContact O-N 3.03Å
70	V	98.7	Very high	98.1	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.6	-171.9	-176.4	0	0	0	0	109.7	C44 Q45 G46 F47 F85 V88 A91	C44-V70 PolarHBondContact O-N 2.86Å; Q45-V70 HydrophobicContact CG-CB 4.3Å; Q45-V70 HydrophobicContact CG-CG2 4.4Å; G46-V70 PolarHBondContact N-O 2.97Å; F47-V70 PolarHBondContact N-O 3.3Å; V70-F85 WeakPolarHBondContact CA-O 3.42Å; V70-V88 HydrophobicContact CG2-CG2 4.04Å; V70-A91 HydrophobicContact CG2-CB 3.98Å
71	S	98.1	Very high	98.1	Very high	11 Å²	11	61.7 Å²	61.7	8%	0.077	37%	0.37	C	S	.	.			trans	-149.4	96.3	170.5	-83.4	0	0	0	0	108.2	T48 K73 K74 A75 F85	T48-S71 PolarHBondContact N-OG 3.12Å; T48-S71 WeakPolarHBondContact OG1-CB 3.45Å; T48-S71 PolarHBondContact OG1-OG 3.05Å; S71-K73 VanDerWaalsContact C-N 3.26Å; S71-K73 PolarHBondContact O-N 3.31Å; S71-K74 CarbonylContact O-C 3.58Å; S71-K74 WeakPolarHBondContact O-CA 3.49Å; S71-K74 PolarHBondContact O-N 3.14Å; S71-A75 PolarHBondContact O-N 3.13Å; S71-F85 PolarHBondContact N-O 3.03Å
72	P	96.4	Very high	98.1	Very high	97 Å²	97	56.4 Å²	56.4	63%	0.63	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-52.1	-40.3	-169.3	-29.5	33.3	0	0	0	114.5	K74 G86	P72-K74 PolarHBondContact O-N 3.07Å; P72-G86 WeakPolarHBondContact CG-O 3.46Å
73	K	96.4	Very high	98.1	Very high	212 Å²	212	56.3 Å²	56.3	92%	0.922	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-72.8	-4.6	-179.7	-61.5	-174.5	178.8	-176.7	0	114.6	S71	S71-K73 VanDerWaalsContact C-N 3.26Å; S71-K73 PolarHBondContact O-N 3.31Å
74	K	96.9	Very high	98.2	Very high	104 Å²	104	53.9 Å²	53.9	45%	0.452	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-132.9	19	-175.2	-65.5	-172.6	177.3	-174.3	0	112.3	T48 S71 P72 T77 V84	T48-K74 HydrophobicContact CG2-CD 3.79Å; S71-K74 CarbonylContact O-C 3.58Å; S71-K74 WeakPolarHBondContact O-CA 3.49Å; S71-K74 PolarHBondContact O-N 3.14Å; P72-K74 PolarHBondContact O-N 3.07Å; K74-T77 WeakPolarHBondContact O-CB 3.49Å; K74-T77 WeakPolarHBondContact O-CG2 3.36Å; K74-T77 PolarHBondContact O-N 3.21Å; K74-T77 PolarHBondContact O-OG1 3.12Å; K74-V84 HydrophobicContact CB-CG1 4.08Å; K74-V84 WeakPolarHBondContact O-CB 3.17Å; K74-V84 VanDerWaalsContact O-CG1 3.31Å; K74-V84 WeakPolarHBondContact O-CG1 3.4Å
75	A	97.6	Very high	98.2	Very high	51 Å²	51	54.8 Å²	54.8	42%	0.421	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	139.2	176.4	0	0	0	0	0	111.5	S71 T77 V84	S71-A75 PolarHBondContact O-N 3.13Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 2.96Å; A75-V84 WeakPolarHBondContact CA-O 3.47Å
76	G	97.6	Very high	98.1	Very high	81 Å²	81	50.6 Å²	50.6	84%	0.835	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	0.4	-179.3	0	0	0	0	0	115	V84	G76-V84 PolarHBondContact N-O 2.85Å
77	T	98.4	Very high	98.1	Very high	66 Å²	66	52.5 Å²	52.5	41%	0.405	33%	0.328	S	S	.	.			trans	-96.9	179	174.4	68.8	0	0	0	0	111.5	K74 A75 V84	K74-T77 WeakPolarHBondContact O-CB 3.49Å; K74-T77 WeakPolarHBondContact O-CG2 3.36Å; K74-T77 PolarHBondContact O-N 3.21Å; K74-T77 PolarHBondContact O-OG1 3.12Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 2.96Å; T77-V84 WeakPolarHBondContact O-CB 3.33Å; T77-V84 PolarHBondContact O-N 3.3Å
78	T	98.3	Very high	98.1	Very high	109 Å²	109	51.1 Å²	51.1	67%	0.669	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	172.4	60.1	0	0	0	0	111.1	L82	T78-L82 CarbonylContact C-O 3.53Å; T78-L82 VanDerWaalsContact CA-O 3.27Å; T78-L82 WeakPolarHBondContact CA-O 3.36Å
79	H	98.6	Very high	98.1	Very high	40 Å²	40	57.2 Å²	57.2	19%	0.185	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.6	172.1	-174.9	62.3	0	0	0	109.8	F47 T48 T53 G81 L82 V84	F47-H79 HydrophobicContact CD1-CB 4.13Å; F47-H79 AromaticContact CD2-CD2 3.97Å; F47-H79 HydrophobicContact CE1-CB 3.8Å; F47-H79 WeakPolarHBondContact CE1-O 3.27Å; F47-H79 AromaticContact CE2-CD2 3.87Å; F47-H79 HydrophobicContact CZ-CB 4.27Å; F47-H79 AromaticContact CZ-CD2 3.92Å; F47-H79 WeakPolarHBondContact CZ-O 3.39Å; F47-H79 PolarHBondContact O-CD2 3.39Å; F47-H79 PolarHBondContact O-NE2 2.86Å; T48-H79 HydrophobicContact CG2-CB 3.95Å; T53-H79 PolarHBondContact OG1-CE1 3.39Å; T53-H79 VanDerWaalsContact OG1-CE1 3.32Å; T53-H79 PolarHBondContact OG1-NE2 3.32Å; H79-G81 PolarHBondContact O-N 2.75Å; H79-G81 VanDerWaalsContact O-N 3.16Å; H79-L82 PolarHBondContact N-O 3.29Å; H79-L82 PolarHBondContact O-N 3.05Å; H79-V84 HydrophobicContact CB-CG2 3.67Å
80	L	98.2	Very high	98.1	Very high	52 Å²	52	61.6 Å²	61.6	27%	0.272	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	29.6	-170.4	-55.1	176.4	0	0	0	113.5	F47 T53 C56 R57 L60 L82	F47-L80 HydrophobicContact CE2-CD1 4.07Å; F47-L80 HydrophobicContact CZ-CB 4.42Å; F47-L80 HydrophobicContact CZ-CD1 4.44Å; T53-L80 HydrophobicContact CG2-CD2 4.22Å; C56-L80 HydrophobicContact CB-CD1 3.6Å; R57-L80 HydrophobicContact CB-CD1 4.48Å; L60-L80 HydrophobicContact CD1-CB 4.2Å; L60-L80 HydrophobicContact CD1-CD1 4.39Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.15Å
81	G	97.9	Very high	98.1	Very high	73 Å²	73	61.3 Å²	61.3	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	6.5	-176	0	0	0	0	0	115.1	H79	H79-G81 PolarHBondContact O-N 2.75Å; H79-G81 VanDerWaalsContact O-N 3.16Å
82	L	98.6	Very high	98.1	Very high	34 Å²	34	62.1 Å²	62.1	18%	0.178	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	155	-177.2	-62.5	174.3	0	0	0	111.7	F47 L60 L66 T78 H79 L80	F47-L82 HydrophobicContact CE1-CB 4.21Å; F47-L82 HydrophobicContact CZ-CB 4.11Å; F47-L82 HydrophobicContact CZ-CD1 4.24Å; L60-L82 HydrophobicContact CD1-CD1 4.27Å; L60-L82 HydrophobicContact CD2-CD1 4.31Å; L66-L82 HydrophobicContact CB-CD1 4.09Å; L66-L82 HydrophobicContact CD2-CD1 3.72Å; L66-L82 HydrophobicContact CG-CD1 3.76Å; L66-L82 VanDerWaalsContact O-CD1 3.26Å; L66-L82 WeakPolarHBondContact O-CD1 3.45Å; T78-L82 CarbonylContact C-O 3.53Å; T78-L82 VanDerWaalsContact CA-O 3.27Å; T78-L82 WeakPolarHBondContact CA-O 3.36Å; H79-L82 PolarHBondContact N-O 3.29Å; H79-L82 PolarHBondContact O-N 3.05Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.15Å
83	P	98.6	Very high	98.2	Very high	54 Å²	54	65.7 Å²	65.7	35%	0.351	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.9	-178.5	27.3	-35.3	0	0	0	112.7	G68 G69 F85	G68-P83 WeakPolarHBondContact CA-O 3.34Å; G69-P83 PolarHBondContact N-O 2.79Å; G69-P83 VanDerWaalsContact N-O 3.13Å; P83-F85 HydrophobicContact CB-CE1 4.28Å; P83-F85 HydrophobicContact CB-CE2 4.03Å; P83-F85 HydrophobicContact CB-CZ 3.75Å; P83-F85 HydrophobicContact CG-CE2 3.78Å; P83-F85 HydrophobicContact CG-CZ 3.6Å
84	V	98.8	Very high	98.3	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.7	172.6	-174.9	0	0	0	0	109.5	F47 T48 G69 K74 A75 G76 T77 H79	F47-V84 HydrophobicContact CD1-CG2 4.04Å; F47-V84 HydrophobicContact CE1-CG2 4.29Å; T48-V84 HydrophobicContact CG2-CG1 4.35Å; T48-V84 HydrophobicContact CG2-CG2 4.19Å; G69-V84 CarbonylContact O-C 3.57Å; G69-V84 WeakPolarHBondContact O-CA 3.06Å; K74-V84 HydrophobicContact CB-CG1 4.08Å; K74-V84 WeakPolarHBondContact O-CB 3.17Å; K74-V84 VanDerWaalsContact O-CG1 3.31Å; K74-V84 WeakPolarHBondContact O-CG1 3.4Å; A75-V84 WeakPolarHBondContact CA-O 3.47Å; G76-V84 PolarHBondContact N-O 2.85Å; T77-V84 WeakPolarHBondContact O-CB 3.33Å; T77-V84 PolarHBondContact O-N 3.3Å; H79-V84 HydrophobicContact CB-CG2 3.67Å
85	F	98.7	Very high	98.3	Very high	22 Å²	22	58.1 Å²	58.1	10%	0.096	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	157	-179.4	-54.9	-79.4	0	0	0	111.9	G69 V70 S71 P83 E90 A91 E94 T95	G69-F85 PolarHBondContact O-N 3.03Å; V70-F85 WeakPolarHBondContact CA-O 3.42Å; S71-F85 PolarHBondContact N-O 3.03Å; P83-F85 HydrophobicContact CB-CE1 4.28Å; P83-F85 HydrophobicContact CB-CE2 4.03Å; P83-F85 HydrophobicContact CB-CZ 3.75Å; P83-F85 HydrophobicContact CG-CE2 3.78Å; P83-F85 HydrophobicContact CG-CZ 3.6Å; F85-E90 HydrophobicContact CB-CB 4.21Å; F85-E90 HydrophobicContact CD1-CB 4.19Å; F85-A91 HydrophobicContact CB-CB 3.91Å; F85-A91 HydrophobicContact CD1-CB 4.45Å; F85-A91 HydrophobicContact CD2-CB 3.36Å; F85-A91 HydrophobicContact CE2-CB 3.94Å; F85-A91 HydrophobicContact CG-CB 3.65Å; F85-E94 HydrophobicContact CE1-CB 3.73Å; F85-E94 HydrophobicContact CE1-CG 3.89Å; F85-E94 HydrophobicContact CZ-CB 3.99Å; F85-T95 HydrophobicContact CE2-CG2 3.81Å; F85-T95 HydrophobicContact CZ-CG2 3.65Å
86	G	98.2	Very high	98.3	Very high	11 Å²	11	60.8 Å²	60.8	11%	0.113	35%	0.353	C	S	.	.	S	Bend	trans	-78.7	-36.9	176.6	0	0	0	0	0	112.8	P72 E90	P72-G86 WeakPolarHBondContact CG-O 3.46Å; G86-E90 WeakPolarHBondContact CA-OE2 3.4Å; G86-E90 PolarHBondContact N-OE2 2.84Å
87	T	98.5	Very high	98.4	Very high	47 Å²	47	57 Å²	57	29%	0.288	31%	0.314	S	S	.	.	S	Bend	trans	-133.4	163.2	-177.6	66.6	0	0	0	0	111.6	E89 E90 A91	T87-E89 VanDerWaalsContact C-N 3.26Å; T87-E89 PolarHBondContact OG1-N 2.78Å; T87-E90 PolarHBondContact N-OE2 3.05Å; T87-E90 WeakPolarHBondContact OG1-CG 3.41Å; T87-E90 PolarHBondContact OG1-N 3.21Å; T87-E90 VanDerWaalsContact OG1-N 3.14Å; T87-A91 PolarHBondContact O-N 3.2Å
88	V	98.7	Very high	98.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-33.9	169.9	178.6	0	0	0	0	111.2	I43 Q45 V70 A91 M92 E115 N119 V121	I43-V88 HydrophobicContact CD1-CG1 4.14Å; Q45-V88 HydrophobicContact CG-CG2 3.88Å; V70-V88 HydrophobicContact CG2-CG2 4.04Å; V88-A91 PolarHBondContact O-N 3.25Å; V88-M92 HydrophobicContact CG1-CG 3.95Å; V88-M92 WeakPolarHBondContact O-CB 3.44Å; V88-M92 VanDerWaalsContact O-CG 3.26Å; V88-M92 WeakPolarHBondContact O-CG 3.5Å; V88-M92 PolarHBondContact O-N 3.35Å; V88-E115 HydrophobicContact CB-CG 4.03Å; V88-E115 HydrophobicContact CG2-CG 3.87Å; V88-E115 PolarHBondContact N-OE1 3.05Å; V88-N119 HydrophobicContact CB-CB 4.41Å; V88-N119 HydrophobicContact CG1-CB 3.84Å; V88-V121 HydrophobicContact CG1-CG2 3.6Å
89	E	98.6	Very high	98.4	Very high	128 Å²	128	51.6 Å²	51.6	60%	0.598	28%	0.278	S	S	*	.	H	α-helix	trans	-56.7	-50.9	176.8	-171.4	179.7	-173.9	0	0	112.1	T87 A91 M92 K93 N119	T87-E89 VanDerWaalsContact C-N 3.26Å; T87-E89 PolarHBondContact OG1-N 2.78Å; E89-A91 PolarHBondContact O-N 2.86Å; E89-M92 PolarHBondContact O-N 2.96Å; E89-K93 WeakPolarHBondContact O-CB 3.35Å; E89-K93 PolarHBondContact O-N 3.13Å; E89-N119 VanDerWaalsContact CA-OD1 3.24Å; E89-N119 WeakPolarHBondContact CA-OD1 2.93Å; E89-N119 WeakPolarHBondContact CB-OD1 3.45Å; E89-N119 WeakPolarHBondContact CG-OD1 3.39Å
90	E	98.4	Very high	98.4	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-46.6	177.3	-72.5	171.9	175.4	0	0	111.1	F85 G86 T87 M92 K93 E94	F85-E90 HydrophobicContact CB-CB 4.21Å; F85-E90 HydrophobicContact CD1-CB 4.19Å; G86-E90 WeakPolarHBondContact CA-OE2 3.4Å; G86-E90 PolarHBondContact N-OE2 2.84Å; T87-E90 PolarHBondContact N-OE2 3.05Å; T87-E90 WeakPolarHBondContact OG1-CG 3.41Å; T87-E90 PolarHBondContact OG1-N 3.21Å; T87-E90 VanDerWaalsContact OG1-N 3.14Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 2.96Å; E90-K93 PolarHBondContact O-N 3.29Å; E90-E94 WeakPolarHBondContact O-CG 3.43Å; E90-E94 PolarHBondContact O-N 3.48Å
91	A	98.7	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-43.7	179.3	0	0	0	0	0	111.7	I43 V70 F85 T87 V88 E89 T95	I43-A91 HydrophobicContact CD1-CB 3.93Å; I43-A91 HydrophobicContact CG2-CB 4.31Å; V70-A91 HydrophobicContact CG2-CB 3.98Å; F85-A91 HydrophobicContact CB-CB 3.91Å; F85-A91 HydrophobicContact CD1-CB 4.45Å; F85-A91 HydrophobicContact CD2-CB 3.36Å; F85-A91 HydrophobicContact CE2-CB 3.94Å; F85-A91 HydrophobicContact CG-CB 3.65Å; T87-A91 PolarHBondContact O-N 3.2Å; V88-A91 PolarHBondContact O-N 3.25Å; E89-A91 PolarHBondContact O-N 2.86Å; A91-T95 WeakPolarHBondContact O-CB 3.38Å; A91-T95 WeakPolarHBondContact O-CG2 3.12Å; A91-T95 PolarHBondContact O-N 2.98Å; A91-T95 PolarHBondContact O-OG1 3.12Å
92	M	98.4	Very high	98.5	Very high	28 Å²	28	43.7 Å²	43.7	14%	0.138	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-42.3	178.3	-74.2	-61.4	-66.6	0	0	112	I43 V88 E89 E90 E94 D96 A97 V121	I43-M92 HydrophobicContact CD1-SD 4.4Å; V88-M92 HydrophobicContact CG1-CG 3.95Å; V88-M92 WeakPolarHBondContact O-CB 3.44Å; V88-M92 VanDerWaalsContact O-CG 3.26Å; V88-M92 WeakPolarHBondContact O-CG 3.5Å; V88-M92 PolarHBondContact O-N 3.35Å; E89-M92 PolarHBondContact O-N 2.96Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 2.96Å; M92-E94 VanDerWaalsContact C-N 3.35Å; M92-E94 PolarHBondContact O-N 3.48Å; M92-D96 WeakPolarHBondContact O-CA 3.15Å; M92-D96 PolarHBondContact O-N 3.46Å; M92-A97 WeakPolarHBondContact CE-O 3.36Å; M92-A97 HydrophobicContact SD-CB 3.88Å; M92-V121 HydrophobicContact CE-CG2 4.36Å; M92-V121 HydrophobicContact CG-CG2 3.95Å; M92-V121 HydrophobicContact SD-CB 4.41Å; M92-V121 HydrophobicContact SD-CG1 4.3Å; M92-V121 HydrophobicContact SD-CG2 3.74Å
93	K	98.2	Very high	98.5	Very high	172 Å²	172	43.4 Å²	43.4	75%	0.748	22%	0.217	S	C	*	.	H	α-helix	trans	-61.7	-41.6	178.2	-176.9	-178.1	175.3	-173.4	0	112.7	E89 E90	E89-K93 WeakPolarHBondContact O-CB 3.35Å; E89-K93 PolarHBondContact O-N 3.13Å; E90-K93 PolarHBondContact O-N 3.29Å
94	E	98.2	Very high	98.5	Very high	136 Å²	136	41.6 Å²	41.6	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-84.5	-30.4	-175.2	-66.4	-60.6	138.4	0	0	113.2	F85 E90 M92	F85-E94 HydrophobicContact CE1-CB 3.73Å; F85-E94 HydrophobicContact CE1-CG 3.89Å; F85-E94 HydrophobicContact CZ-CB 3.99Å; E90-E94 WeakPolarHBondContact O-CG 3.43Å; E90-E94 PolarHBondContact O-N 3.48Å; M92-E94 VanDerWaalsContact C-N 3.35Å; M92-E94 PolarHBondContact O-N 3.48Å
95	T	97.9	Very high	98.4	Very high	20 Å²	20	45.4 Å²	45.4	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-112.6	-19	-172.2	71.8	0	0	0	0	114.2	K41 V67 F85 A91 A97	K41-T95 WeakPolarHBondContact CD-O 3.28Å; K41-T95 PolarHBondContact NZ-O 3.29Å; V67-T95 HydrophobicContact CB-CG2 4.23Å; V67-T95 HydrophobicContact CG2-CG2 4.04Å; F85-T95 HydrophobicContact CE2-CG2 3.81Å; F85-T95 HydrophobicContact CZ-CG2 3.65Å; A91-T95 WeakPolarHBondContact O-CB 3.38Å; A91-T95 WeakPolarHBondContact O-CG2 3.12Å; A91-T95 PolarHBondContact O-N 2.98Å; A91-T95 PolarHBondContact O-OG1 3.12Å; T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 3.03Å
96	D	97.5	Very high	98.3	Very high	107 Å²	107	45.2 Å²	45.2	57%	0.572	23%	0.233	S	C	*	.			trans	51.9	47.5	-175.1	174.9	60.8	0	0	0	110.9	K41 M92	K41-D96 WeakPolarHBondContact CE-O 3.47Å; K41-D96 VanDerWaalsContact NZ-CB 3.31Å; K41-D96 PolarHBondContact NZ-O 2.9Å; K41-D96 IonicContact NZ-OD2 2.87Å; K41-D96 PolarHBondContact NZ-OD2 3Å; M92-D96 WeakPolarHBondContact O-CA 3.15Å; M92-D96 PolarHBondContact O-N 3.46Å
97	A	98.6	Very high	98.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.263	C	S	.	.			trans	-67.8	140	-172	0	0	0	0	0	112.9	K41 I43 V67 M92 T95	K41-A97 HydrophobicContact CB-CB 4.47Å; I43-A97 HydrophobicContact CB-CB 4.43Å; I43-A97 HydrophobicContact CG1-CB 4.13Å; I43-A97 HydrophobicContact CG2-CB 3.72Å; V67-A97 HydrophobicContact CG2-CB 4.25Å; M92-A97 WeakPolarHBondContact CE-O 3.36Å; M92-A97 HydrophobicContact SD-CB 3.88Å; T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 3.03Å
98	D	98.8	Very high	98.2	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-83.8	-22.3	177.9	-57	-72.2	0	0	0	112.3	T40 K41 P122 L123	T40-D98 HydrophobicContact CG2-CB 3.91Å; K41-D98 PolarHBondContact N-OD2 3.09Å; K41-D98 PolarHBondContact O-N 3.15Å; D98-P122 WeakPolarHBondContact O-CB 3.26Å; D98-P122 WeakPolarHBondContact O-CD 3.13Å; D98-L123 PolarHBondContact O-N 2.84Å; D98-L123 VanDerWaalsContact O-N 3.08Å
99	A	98.9	Very high	98.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.5	-176.7	0	0	0	0	0	113.6	T40 K41 V42 I43 L123 I167	T40-A99 HydrophobicContact CG2-CB 4.14Å; K41-A99 PolarHBondContact O-N 2.79Å; V42-A99 CarbonylContact C-O 3.56Å; V42-A99 WeakPolarHBondContact CA-O 3.25Å; V42-A99 HydrophobicContact CG2-CB 4.33Å; I43-A99 PolarHBondContact N-O 2.81Å; A99-L123 CarbonylContact C-O 3.54Å; A99-L123 WeakPolarHBondContact CA-O 3.45Å; A99-L123 HydrophobicContact CB-CB 3.87Å; A99-L123 HydrophobicContact CB-CD2 4.19Å; A99-L123 HydrophobicContact CB-CG 4.33Å; A99-I167 HydrophobicContact CB-CD1 3.77Å
100	T	98.9	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.7	166.5	-174.3	0	0	0	0	112	I43 Q45 L102 A116 V121 L123 I124 V125	I43-T100 CarbonylContact O-C 3.52Å; I43-T100 WeakPolarHBondContact O-CA 3.32Å; I43-T100 PolarHBondContact O-OG1 3.42Å; Q45-T100 PolarHBondContact NE2-OG1 3.31Å; T100-L102 HydrophobicContact CG2-CD1 3.79Å; T100-A116 HydrophobicContact CG2-CB 3.82Å; T100-V121 HydrophobicContact CG2-CB 4.22Å; T100-V121 HydrophobicContact CG2-CG1 3.76Å; T100-V121 HydrophobicContact CG2-CG2 4.4Å; T100-L123 PolarHBondContact N-O 3.07Å; T100-I124 HydrophobicContact CG2-CB 4.17Å; T100-I124 HydrophobicContact CG2-CG1 3.93Å; T100-I124 HydrophobicContact CG2-CG2 4.02Å; T100-V125 PolarHBondContact O-N 3.47Å
101	V	98.9	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.2	168.2	64.6	0	0	0	0	110.5	V42 I43 C44 Q45 M59 Y103 V125 I127 I167	V42-V101 HydrophobicContact CG1-CG1 4.37Å; I43-V101 PolarHBondContact O-N 2.95Å; C44-V101 CarbonylContact C-O 3.59Å; C44-V101 WeakPolarHBondContact CA-O 3.16Å; C44-V101 HydrophobicContact CB-CG1 4.02Å; Q45-V101 PolarHBondContact N-O 2.79Å; M59-V101 HydrophobicContact CE-CG1 4.3Å; M59-V101 HydrophobicContact SD-CG1 4.38Å; V101-Y103 HydrophobicContact CB-CE2 4.19Å; V101-Y103 HydrophobicContact CG1-CD2 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.68Å; V101-Y103 HydrophobicContact CG2-CD2 4.09Å; V101-Y103 HydrophobicContact CG2-CE2 3.43Å; V101-Y103 VanDerWaalsContact CG2-CE2 3.43Å; V101-V125 CarbonylContact C-O 3.55Å; V101-V125 WeakPolarHBondContact CA-O 3.42Å; V101-V125 HydrophobicContact CG2-CB 4.46Å; V101-I127 HydrophobicContact CG2-CD1 4.42Å; V101-I127 HydrophobicContact CG2-CG1 3.89Å; V101-I167 HydrophobicContact CB-CG2 3.69Å; V101-I167 HydrophobicContact CG2-CG2 4.04Å
102	L	98.8	Very high	98.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.5	-178.1	-70.7	64.8	0	0	0	110.3	Q45 T100 A112 I113 I124 V125 C126 I127	Q45-L102 HydrophobicContact CB-CG 4.06Å; Q45-L102 VanDerWaalsContact NE2-CD1 3.28Å; T100-L102 HydrophobicContact CG2-CD1 3.79Å; L102-A112 HydrophobicContact CD2-CB 3.7Å; L102-A112 HydrophobicContact CG-CB 4.37Å; L102-I113 HydrophobicContact CD2-CB 4.46Å; L102-I113 HydrophobicContact CD2-CG1 3.57Å; L102-I124 HydrophobicContact CD1-CG2 3.66Å; L102-I124 HydrophobicContact CD2-CG2 4.48Å; L102-V125 PolarHBondContact N-O 2.94Å; L102-C126 HydrophobicContact CD2-CB 4.46Å; L102-I127 PolarHBondContact O-N 2.91Å
103	Y	98.3	Very high	98.2	Very high	27 Å²	27	46.4 Å²	46.4	11%	0.106	25%	0.248	C	C	.	.			trans	-119.6	26.7	170.8	-64.8	-79.4	0	0	0	111.8	Q45 A52 H55 V101 I127 G168 I169	Q45-Y103 PolarHBondContact O-N 2.99Å; A52-Y103 HydrophobicContact CB-CD2 4.02Å; A52-Y103 HydrophobicContact CB-CG 4.21Å; H55-Y103 HydrophobicContact CB-CE1 4Å; H55-Y103 HydrophobicContact CB-CE2 4.17Å; H55-Y103 VanDerWaalsContact CB-OH 3.27Å; H55-Y103 WeakPolarHBondContact CB-OH 3.38Å; H55-Y103 AromaticContact CD2-CE1 3.6Å; H55-Y103 AromaticContact CG-CE1 3.98Å; V101-Y103 HydrophobicContact CB-CE2 4.19Å; V101-Y103 HydrophobicContact CG1-CD2 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.68Å; V101-Y103 HydrophobicContact CG2-CD2 4.09Å; V101-Y103 HydrophobicContact CG2-CE2 3.43Å; V101-Y103 VanDerWaalsContact CG2-CE2 3.43Å; Y103-I127 HydrophobicContact CD1-CB 4.07Å; Y103-I127 HydrophobicContact CD1-CG1 4.12Å; Y103-I127 HydrophobicContact CD1-CG2 4.21Å; Y103-I127 HydrophobicContact CE1-CB 3.98Å; Y103-I127 HydrophobicContact CE1-CG1 3.64Å; Y103-I127 HydrophobicContact CE1-CG2 3.98Å; Y103-G168 WeakPolarHBondContact OH-CA 3.44Å; Y103-G168 PolarHBondContact OH-O 2.89Å; Y103-I169 HydrophobicContact CE1-CG2 3.65Å
104	V	97.9	Very high	98.2	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.103	22%	0.223	C	C	.	.			trans	-78.9	155.1	-178.8	-60.6	0	0	0	0	111.1	Q45 V108 A109 A112 T128	Q45-V104 HydrophobicContact CB-CG1 4.43Å; V104-V108 HydrophobicContact CB-CG2 3.91Å; V104-V108 HydrophobicContact CG2-CG2 4.13Å; V104-A109 VanDerWaalsContact CG2-CA 3.5Å; V104-A109 HydrophobicContact CG2-CB 3.81Å; V104-A112 HydrophobicContact CG2-CB 3.87Å; V104-T128 WeakPolarHBondContact O-CG2 3.36Å; V104-T128 PolarHBondContact O-OG1 3.24Å
105	P	97.6	Very high	98.2	Very high	83 Å²	83	36.4 Å²	36.4	54%	0.539	21%	0.206	S	C	.	.			trans	-58.3	151.9	175.6	-24.5	34.7	0	0	0	113.3	Q107 V108 A109	P105-Q107 VanDerWaalsContact CB-OE1 3.27Å; P105-Q107 PolarHBondContact O-N 3.37Å; P105-Q107 VanDerWaalsContact O-N 3.1Å; P105-V108 HydrophobicContact CB-CG2 4.47Å; P105-V108 WeakPolarHBondContact O-CG2 3.49Å; P105-V108 PolarHBondContact O-N 2.84Å; P105-A109 PolarHBondContact O-N 2.61Å; P105-A109 VanDerWaalsContact O-N 3.1Å
106	A	97.5	Very high	98.3	Very high	19 Å²	19	35.5 Å²	35.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-52.8	-35.6	-177.2	0	0	0	0	0	113.9	V108 A109 T128 G130	A106-V108 PolarHBondContact O-N 3.25Å; A106-A109 PolarHBondContact O-N 2.91Å; A106-T128 HydrophobicContact CB-CG2 4.09Å; A106-G130 WeakPolarHBondContact CB-O 3.31Å
107	Q	96.6	Very high	98.3	Very high	160 Å²	160	31.3 Å²	31.3	75%	0.748	18%	0.177	S	C	*	.	H	α-helix	trans	-64	-21.8	-177.9	-59.7	80.9	3.2	0	0	113.6	P105	P105-Q107 VanDerWaalsContact CB-OE1 3.27Å; P105-Q107 PolarHBondContact O-N 3.37Å; P105-Q107 VanDerWaalsContact O-N 3.1Å
108	V	97.1	Very high	98.2	Very high	72 Å²	72	37.1 Å²	37.1	44%	0.436	20%	0.204	S	C	.	.	H	α-helix	trans	-122.5	-4.7	-177	-61.6	0	0	0	0	113	V104 P105 A106 A110 S111 A112	V104-V108 HydrophobicContact CB-CG2 3.91Å; V104-V108 HydrophobicContact CG2-CG2 4.13Å; P105-V108 HydrophobicContact CB-CG2 4.47Å; P105-V108 WeakPolarHBondContact O-CG2 3.49Å; P105-V108 PolarHBondContact O-N 2.84Å; A106-V108 PolarHBondContact O-N 3.25Å; V108-A110 PolarHBondContact O-N 3.11Å; V108-S111 PolarHBondContact O-N 2.86Å; V108-A112 PolarHBondContact O-N 3.12Å
109	A	98.4	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-37.9	-175.4	0	0	0	0	0	113.4	V104 P105 A106 S111 A112 I113 T128 I131	V104-A109 VanDerWaalsContact CG2-CA 3.5Å; V104-A109 HydrophobicContact CG2-CB 3.81Å; P105-A109 PolarHBondContact O-N 2.61Å; P105-A109 VanDerWaalsContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 2.91Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.04Å; A109-A112 PolarHBondContact O-N 3.43Å; A109-I113 WeakPolarHBondContact O-CG1 3.45Å; A109-I113 PolarHBondContact O-N 2.9Å; A109-T128 HydrophobicContact CB-CG2 3.92Å; A109-I131 HydrophobicContact CB-CD1 3.37Å; A109-I131 HydrophobicContact CB-CG1 3.79Å
110	A	98.5	Very high	98.1	Very high	12 Å²	12	42 Å²	42	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-43	174.3	0	0	0	0	0	111.9	V108 I113 L114 I131 D135 V139	V108-A110 PolarHBondContact O-N 3.11Å; A110-I113 PolarHBondContact O-N 3.08Å; A110-L114 WeakPolarHBondContact O-CG 3.41Å; A110-L114 PolarHBondContact O-N 3.5Å; A110-I131 HydrophobicContact CB-CG2 4.25Å; A110-D135 HydrophobicContact CB-CB 3.75Å; A110-V139 HydrophobicContact CB-CG2 4.13Å
111	S	98.3	Very high	98.1	Very high	78 Å²	78	42 Å²	42	55%	0.545	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-40.3	175.9	-55.1	0	0	0	0	112.2	V108 A109 I113 L114 E115	V108-S111 PolarHBondContact O-N 2.86Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.04Å; S111-I113 VanDerWaalsContact C-N 3.35Å; S111-I113 PolarHBondContact O-N 2.7Å; S111-L114 PolarHBondContact O-N 3.12Å; S111-E115 WeakPolarHBondContact O-CB 3.42Å; S111-E115 PolarHBondContact O-N 3.06Å
112	A	98.5	Very high	98.1	Very high	8 Å²	8	43.2 Å²	43.2	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-35.9	176	0	0	0	0	0	112.8	Q45 L102 V104 V108 A109 A116	Q45-A112 PolarHBondContact NE2-O 3.39Å; Q45-A112 PolarHBondContact OE1-O 3.5Å; Q45-A112 VanDerWaalsContact OE1-O 3.13Å; L102-A112 HydrophobicContact CD2-CB 3.7Å; L102-A112 HydrophobicContact CG-CB 4.37Å; V104-A112 HydrophobicContact CG2-CB 3.87Å; V108-A112 PolarHBondContact O-N 3.12Å; A109-A112 PolarHBondContact O-N 3.43Å; A112-A116 PolarHBondContact O-N 3.26Å; A112-A116 VanDerWaalsContact O-N 3.12Å
113	I	98.7	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-47	171.7	-65.9	164.4	0	0	0	109.9	L102 A109 A110 S111 E115 A116 M117 I124 C126 I131 M136 V139 L151	L102-I113 HydrophobicContact CD2-CB 4.46Å; L102-I113 HydrophobicContact CD2-CG1 3.57Å; A109-I113 WeakPolarHBondContact O-CG1 3.45Å; A109-I113 PolarHBondContact O-N 2.9Å; A110-I113 PolarHBondContact O-N 3.08Å; S111-I113 VanDerWaalsContact C-N 3.35Å; S111-I113 PolarHBondContact O-N 2.7Å; I113-E115 PolarHBondContact O-N 3.46Å; I113-A116 PolarHBondContact O-N 3.28Å; I113-M117 HydrophobicContact CG2-CG 4.39Å; I113-M117 HydrophobicContact CG2-SD 3.98Å; I113-M117 VanDerWaalsContact O-CG 3.31Å; I113-M117 WeakPolarHBondContact O-CG 3.17Å; I113-M117 PolarHBondContact O-N 2.98Å; I113-I124 HydrophobicContact CG1-CG2 4.45Å; I113-C126 HydrophobicContact CD1-CB 4.07Å; I113-C126 HydrophobicContact CG1-CB 4.32Å; I113-I131 HydrophobicContact CD1-CD1 4.4Å; I113-M136 HydrophobicContact CD1-SD 4.07Å; I113-V139 HydrophobicContact CB-CG1 4.47Å; I113-V139 HydrophobicContact CD1-CG1 4.48Å; I113-V139 HydrophobicContact CG2-CG1 3.64Å; I113-L151 HydrophobicContact CD1-CD1 4.21Å; I113-L151 HydrophobicContact CD1-CD2 4.22Å; I113-L151 HydrophobicContact CG1-CD1 4.24Å; I113-L151 HydrophobicContact CG2-CD1 4.28Å; I113-L151 HydrophobicContact CG2-CD2 4.25Å
114	L	98.5	Very high	98.2	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-40.1	179.7	-68.2	173	0	0	0	112	A110 S111 A116 M117 E118 V139 R142	A110-L114 WeakPolarHBondContact O-CG 3.41Å; A110-L114 PolarHBondContact O-N 3.5Å; S111-L114 PolarHBondContact O-N 3.12Å; L114-A116 PolarHBondContact O-N 3.31Å; L114-M117 HydrophobicContact CD2-SD 4.3Å; L114-M117 WeakPolarHBondContact O-CB 3.4Å; L114-M117 PolarHBondContact O-N 3.24Å; L114-E118 WeakPolarHBondContact O-CB 3.44Å; L114-E118 VanDerWaalsContact O-CG 3.32Å; L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 3.41Å; L114-V139 HydrophobicContact CD2-CG2 4.4Å; L114-V139 HydrophobicContact CG-CG2 4.32Å; L114-R142 HydrophobicContact CD2-CB 4.13Å; L114-R142 HydrophobicContact CD2-CG 3.99Å
115	E	98.5	Very high	98.2	Very high	58 Å²	58	41.3 Å²	41.3	27%	0.271	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-44.8	175.5	-172.7	-173	173.9	0	0	111.3	V88 S111 I113 M117 E118 N119	V88-E115 HydrophobicContact CB-CG 4.03Å; V88-E115 HydrophobicContact CG2-CG 3.87Å; V88-E115 PolarHBondContact N-OE1 3.05Å; S111-E115 WeakPolarHBondContact O-CB 3.42Å; S111-E115 PolarHBondContact O-N 3.06Å; I113-E115 PolarHBondContact O-N 3.46Å; E115-M117 VanDerWaalsContact C-N 3.34Å; E115-M117 PolarHBondContact O-N 3.04Å; E115-E118 PolarHBondContact O-N 3.44Å; E115-N119 PolarHBondContact O-N 3.45Å; E115-N119 VanDerWaalsContact O-N 3.09Å; E115-N119 PolarHBondContact O-ND2 3.2Å
116	A	98.7	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-37	175.3	0	0	0	0	0	113	T100 A112 I113 L114 N119 K120 V121 I124	T100-A116 HydrophobicContact CG2-CB 3.82Å; A112-A116 PolarHBondContact O-N 3.26Å; A112-A116 VanDerWaalsContact O-N 3.12Å; I113-A116 PolarHBondContact O-N 3.28Å; L114-A116 PolarHBondContact O-N 3.31Å; A116-N119 CarbonylContact O-C 3.57Å; A116-N119 PolarHBondContact O-N 3.18Å; A116-K120 PolarHBondContact O-N 3.4Å; A116-K120 VanDerWaalsContact O-N 3.16Å; A116-V121 HydrophobicContact CB-CB 4.25Å; A116-V121 HydrophobicContact CB-CG2 3.91Å; A116-V121 WeakPolarHBondContact O-CG2 3.32Å; A116-V121 PolarHBondContact O-N 3.38Å; A116-I124 HydrophobicContact CB-CD1 3.62Å; A116-I124 HydrophobicContact CB-CG1 3.86Å; A116-I124 HydrophobicContact CB-CG2 4.48Å
117	M	98.1	Very high	98.3	Very high	20 Å²	20	37.4 Å²	37.4	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-42.2	174.6	-71	173.9	57.5	0	0	112.4	I113 L114 E115 N119 K120 I124 R142 L143 Q146 C149	I113-M117 HydrophobicContact CG2-CG 4.39Å; I113-M117 HydrophobicContact CG2-SD 3.98Å; I113-M117 VanDerWaalsContact O-CG 3.31Å; I113-M117 WeakPolarHBondContact O-CG 3.17Å; I113-M117 PolarHBondContact O-N 2.98Å; L114-M117 HydrophobicContact CD2-SD 4.3Å; L114-M117 WeakPolarHBondContact O-CB 3.4Å; L114-M117 PolarHBondContact O-N 3.24Å; E115-M117 VanDerWaalsContact C-N 3.34Å; E115-M117 PolarHBondContact O-N 3.04Å; M117-N119 PolarHBondContact O-N 3.33Å; M117-K120 PolarHBondContact O-N 2.83Å; M117-K120 VanDerWaalsContact O-N 3.09Å; M117-I124 HydrophobicContact CB-CD1 4.49Å; M117-I124 HydrophobicContact CG-CD1 3.59Å; M117-R142 HydrophobicContact CE-CB 3.67Å; M117-L143 HydrophobicContact CE-CB 4.44Å; M117-L143 HydrophobicContact CE-CD2 3.76Å; M117-L143 HydrophobicContact CE-CG 3.95Å; M117-L143 HydrophobicContact CG-CD2 4.2Å; M117-L143 HydrophobicContact SD-CD2 3.5Å; M117-L143 WeakPolarHBondContact SD-CD2 3.2Å; M117-L143 HydrophobicContact SD-CG 3.81Å; M117-Q146 HydrophobicContact CE-CG 4.06Å; M117-C149 HydrophobicContact CG-CB 4.35Å
118	E	97.7	Very high	98.4	Very high	122 Å²	122	30.5 Å²	30.5	57%	0.57	16%	0.164	S	C	*	.	H	α-helix	trans	-63.5	-33.1	178.5	-75.6	172.8	-179.5	0	0	111.7	L114 E115 K120 R142	L114-E118 WeakPolarHBondContact O-CB 3.44Å; L114-E118 VanDerWaalsContact O-CG 3.32Å; L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 3.41Å; E115-E118 PolarHBondContact O-N 3.44Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-R142 IonicContact OE1-NH2 2.78Å; E118-R142 PolarHBondContact OE1-NH2 3.2Å
119	N	98.3	Very high	98.5	Very high	42 Å²	42	32.6 Å²	32.6	23%	0.225	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.2	175.1	-69.8	-72.9	0	0	0	114.2	V88 E89 E115 A116 M117 V121	V88-N119 HydrophobicContact CB-CB 4.41Å; V88-N119 HydrophobicContact CG1-CB 3.84Å; E89-N119 VanDerWaalsContact CA-OD1 3.24Å; E89-N119 WeakPolarHBondContact CA-OD1 2.93Å; E89-N119 WeakPolarHBondContact CB-OD1 3.45Å; E89-N119 WeakPolarHBondContact CG-OD1 3.39Å; E115-N119 PolarHBondContact O-N 3.45Å; E115-N119 VanDerWaalsContact O-N 3.09Å; E115-N119 PolarHBondContact O-ND2 3.2Å; A116-N119 CarbonylContact O-C 3.57Å; A116-N119 PolarHBondContact O-N 3.18Å; M117-N119 PolarHBondContact O-N 3.33Å; N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 2.79Å
120	K	97.6	Very high	98.4	Very high	123 Å²	123	35 Å²	35	54%	0.535	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.5	173.5	-56.2	-173.8	174.3	-145.2	0	114.7	A116 M117 E118 P122 D148	A116-K120 PolarHBondContact O-N 3.4Å; A116-K120 VanDerWaalsContact O-N 3.16Å; M117-K120 PolarHBondContact O-N 2.83Å; M117-K120 VanDerWaalsContact O-N 3.09Å; E118-K120 VanDerWaalsContact C-N 3.33Å; K120-P122 VanDerWaalsContact O-CD 3.27Å; K120-P122 WeakPolarHBondContact O-CD 3.35Å; K120-D148 HydrophobicContact CB-CB 4.33Å; K120-D148 HydrophobicContact CD-CB 4.44Å; K120-D148 WeakPolarHBondContact CD-OD2 3.04Å; K120-D148 WeakPolarHBondContact CE-OD2 3.2Å; K120-D148 HydrophobicContact CG-CB 4.27Å; K120-D148 IonicContact NZ-OD2 2.85Å; K120-D148 PolarHBondContact NZ-OD2 3.35Å
121	V	98.6	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.			trans	-64.2	119.2	173.6	-172.1	0	0	0	0	108.6	V88 M92 T100 A116 N119 L123 I124 C149	V88-V121 HydrophobicContact CG1-CG2 3.6Å; M92-V121 HydrophobicContact CE-CG2 4.36Å; M92-V121 HydrophobicContact CG-CG2 3.95Å; M92-V121 HydrophobicContact SD-CB 4.41Å; M92-V121 HydrophobicContact SD-CG1 4.3Å; M92-V121 HydrophobicContact SD-CG2 3.74Å; T100-V121 HydrophobicContact CG2-CB 4.22Å; T100-V121 HydrophobicContact CG2-CG1 3.76Å; T100-V121 HydrophobicContact CG2-CG2 4.4Å; A116-V121 HydrophobicContact CB-CB 4.25Å; A116-V121 HydrophobicContact CB-CG2 3.91Å; A116-V121 WeakPolarHBondContact O-CG2 3.32Å; A116-V121 PolarHBondContact O-N 3.38Å; N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 2.79Å; V121-L123 PolarHBondContact O-N 3.32Å; V121-I124 HydrophobicContact CB-CG1 4.4Å; V121-C149 PolarHBondContact O-SG 2.62Å
122	P	98.6	Very high	98.4	Very high	26 Å²	26	34.1 Å²	34.1	17%	0.169	19%	0.185	C	C	.	.	S	Bend	trans	-59.2	-43.6	-169.6	-26.2	33.1	0	0	0	114.4	Y33 D98 K120 C149 R150	Y33-P122 HydrophobicContact CD1-CB 3.55Å; Y33-P122 HydrophobicContact CD2-CB 4.29Å; Y33-P122 VanDerWaalsContact CD2-O 3.23Å; Y33-P122 WeakPolarHBondContact CD2-O 3.34Å; Y33-P122 HydrophobicContact CE1-CB 3.58Å; Y33-P122 HydrophobicContact CE1-CG 4.46Å; Y33-P122 HydrophobicContact CE2-CB 4.33Å; Y33-P122 HydrophobicContact CG-CB 3.91Å; D98-P122 WeakPolarHBondContact O-CB 3.26Å; D98-P122 WeakPolarHBondContact O-CD 3.13Å; K120-P122 VanDerWaalsContact O-CD 3.27Å; K120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-C149 CarbonylContact O-C 3.55Å; P122-C149 WeakPolarHBondContact O-CA 3.5Å; P122-R150 PolarHBondContact O-N 2.89Å
123	L	98.9	Very high	98.3	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.1	175	-178.9	67.1	0	0	0	111.8	L34 I36 D98 A99 T100 V121 V125 R150 V152 I159 I167	L34-L123 HydrophobicContact CD2-CD1 4.16Å; I36-L123 HydrophobicContact CG2-CD2 3.41Å; I36-L123 VanDerWaalsContact CG2-CD2 3.41Å; D98-L123 PolarHBondContact O-N 2.84Å; D98-L123 VanDerWaalsContact O-N 3.08Å; A99-L123 CarbonylContact C-O 3.54Å; A99-L123 WeakPolarHBondContact CA-O 3.45Å; A99-L123 HydrophobicContact CB-CB 3.87Å; A99-L123 HydrophobicContact CB-CD2 4.19Å; A99-L123 HydrophobicContact CB-CG 4.33Å; T100-L123 PolarHBondContact N-O 3.07Å; V121-L123 PolarHBondContact O-N 3.32Å; L123-V125 HydrophobicContact CD2-CG2 4.12Å; L123-V125 HydrophobicContact CG-CG2 4.04Å; L123-R150 HydrophobicContact CD1-CB 4.3Å; L123-R150 HydrophobicContact CD1-CG 4.13Å; L123-V152 HydrophobicContact CD1-CG2 4.01Å; L123-I159 HydrophobicContact CD2-CG2 4.3Å; L123-I167 HydrophobicContact CD2-CD1 4.2Å
124	I	98.9	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.5	176.4	-55.7	169.8	0	0	0	107.6	T100 L102 I113 A116 M117 V121 C149 R150 L151 V152	T100-I124 HydrophobicContact CG2-CB 4.17Å; T100-I124 HydrophobicContact CG2-CG1 3.93Å; T100-I124 HydrophobicContact CG2-CG2 4.02Å; L102-I124 HydrophobicContact CD1-CG2 3.66Å; L102-I124 HydrophobicContact CD2-CG2 4.48Å; I113-I124 HydrophobicContact CG1-CG2 4.45Å; A116-I124 HydrophobicContact CB-CD1 3.62Å; A116-I124 HydrophobicContact CB-CG1 3.86Å; A116-I124 HydrophobicContact CB-CG2 4.48Å; M117-I124 HydrophobicContact CB-CD1 4.49Å; M117-I124 HydrophobicContact CG-CD1 3.59Å; V121-I124 HydrophobicContact CB-CG1 4.4Å; I124-C149 HydrophobicContact CD1-CB 4.18Å; I124-R150 PolarHBondContact N-O 2.78Å; I124-L151 HydrophobicContact CB-CD1 4.05Å; I124-L151 HydrophobicContact CG2-CD1 3.69Å; I124-L151 CarbonylContact O-C 3.44Å; I124-L151 WeakPolarHBondContact O-CA 3.35Å; I124-V152 PolarHBondContact O-N 2.68Å
125	V	98.9	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	107.2	178.3	-175.2	0	0	0	0	109.1	T100 V101 L102 L123 I127 V152 I159 I167	T100-V125 PolarHBondContact O-N 3.47Å; V101-V125 CarbonylContact C-O 3.55Å; V101-V125 WeakPolarHBondContact CA-O 3.42Å; V101-V125 HydrophobicContact CG2-CB 4.46Å; L102-V125 PolarHBondContact N-O 2.94Å; L123-V125 HydrophobicContact CD2-CG2 4.12Å; L123-V125 HydrophobicContact CG-CG2 4.04Å; V125-I127 HydrophobicContact CG1-CD1 3.9Å; V125-V152 HydrophobicContact CG1-CB 4.48Å; V125-V152 HydrophobicContact CG2-CB 4.37Å; V125-I159 HydrophobicContact CG2-CG2 3.9Å; V125-I167 HydrophobicContact CB-CG2 3.93Å; V125-I167 HydrophobicContact CG1-CG2 4.3Å; V125-I167 HydrophobicContact CG2-CB 4.36Å; V125-I167 HydrophobicContact CG2-CG2 3.75Å
126	C	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.9	-179.1	-170.3	0	0	0	0	111.1	L102 I113 L151 V152 P154 C156	L102-C126 HydrophobicContact CD2-CB 4.46Å; I113-C126 HydrophobicContact CD1-CB 4.07Å; I113-C126 HydrophobicContact CG1-CB 4.32Å; C126-L151 HydrophobicContact CB-CD1 4Å; C126-V152 PolarHBondContact N-O 2.75Å; C126-P154 HydrophobicContact CB-CB 4.13Å; C126-P154 CarbonylContact O-C 3.48Å; C126-P154 VanDerWaalsContact O-CA 3.3Å; C126-P154 WeakPolarHBondContact O-CA 3.25Å; C126-C156 PolarHBondContact O-SG 3.06Å
127	I	98.8	Very high	98.2	Very high	20 Å²	20	43.1 Å²	43.1	10%	0.103	23%	0.233	C	C	.	.			trans	-81.8	-31.2	179.6	-55	-56.7	0	0	0	111	V101 L102 Y103 V125 E129 C156 I169	V101-I127 HydrophobicContact CG2-CD1 4.42Å; V101-I127 HydrophobicContact CG2-CG1 3.89Å; L102-I127 PolarHBondContact O-N 2.91Å; Y103-I127 HydrophobicContact CD1-CB 4.07Å; Y103-I127 HydrophobicContact CD1-CG1 4.12Å; Y103-I127 HydrophobicContact CD1-CG2 4.21Å; Y103-I127 HydrophobicContact CE1-CB 3.98Å; Y103-I127 HydrophobicContact CE1-CG1 3.64Å; Y103-I127 HydrophobicContact CE1-CG2 3.98Å; V125-I127 HydrophobicContact CG1-CD1 3.9Å; I127-E129 PolarHBondContact O-N 3.35Å; I127-C156 WeakPolarHBondContact CD1-O 3.29Å; I127-I169 HydrophobicContact CG2-CD1 4.27Å; I127-I169 HydrophobicContact CG2-CG2 3.74Å
128	T	98.5	Very high	98.2	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.092	25%	0.253	C	S	.	.			trans	-50.7	122.8	-171.7	-51.4	0	0	0	0	113	V104 A106 A109 I131 N155	V104-T128 WeakPolarHBondContact O-CG2 3.36Å; V104-T128 PolarHBondContact O-OG1 3.24Å; A106-T128 HydrophobicContact CB-CG2 4.09Å; A109-T128 HydrophobicContact CB-CG2 3.92Å; T128-I131 HydrophobicContact CG2-CG1 4.26Å; T128-N155 PolarHBondContact O-N 3.42Å
129	E	98	Very high	98.3	Very high	117 Å²	117	43 Å²	43	55%	0.547	23%	0.226	S	C	.	.			trans	-88.4	149.4	168.5	179.9	172.6	-159.1	0	0	110.6	I127 N155	I127-E129 PolarHBondContact O-N 3.35Å; E129-N155 HydrophobicContact CB-CB 4.33Å; E129-N155 HydrophobicContact CG-CB 4.43Å
130	G	97.5	Very high	98.2	Very high	50 Å²	50	43.9 Å²	43.9	52%	0.515	23%	0.228	S	C	.	.			trans	90.7	15	170.4	0	0	0	0	0	115.4	A106	A106-G130 WeakPolarHBondContact CB-O 3.31Å
131	I	98.3	Very high	98.2	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.041	23%	0.227	C	C	.	.			trans	-63.2	132.7	171.3	-51.9	-175.7	0	0	0	108.8	A109 A110 I113 T128 Q133 D135 M136 P154	A109-I131 HydrophobicContact CB-CD1 3.37Å; A109-I131 HydrophobicContact CB-CG1 3.79Å; A110-I131 HydrophobicContact CB-CG2 4.25Å; I113-I131 HydrophobicContact CD1-CD1 4.4Å; T128-I131 HydrophobicContact CG2-CG1 4.26Å; I131-Q133 PolarHBondContact O-N 3.05Å; I131-D135 HydrophobicContact CG2-CB 4.24Å; I131-M136 HydrophobicContact CB-CG 4.18Å; I131-M136 HydrophobicContact CD1-SD 4.14Å; I131-M136 HydrophobicContact CG2-CG 3.87Å; I131-M136 HydrophobicContact CG2-SD 4.12Å; I131-P154 HydrophobicContact CD1-CB 3.57Å; I131-P154 HydrophobicContact CD1-CG 4.03Å; I131-P154 HydrophobicContact CG1-CB 4.33Å
132	P	97.7	Very high	98.1	Very high	64 Å²	64	49 Å²	49	42%	0.416	25%	0.249	S	C	.	.			trans	-54.8	132.3	175.7	-26.7	35.5	0	0	0	111.9	L134 D135 M136	P132-L134 PolarHBondContact O-N 3.19Å; P132-L134 VanDerWaalsContact O-N 3.16Å; P132-D135 HydrophobicContact CB-CB 4.42Å; P132-D135 WeakPolarHBondContact O-CB 3.35Å; P132-D135 PolarHBondContact O-N 2.93Å; P132-M136 PolarHBondContact O-N 3.34Å
133	Q	97.2	Very high	98	Very high	81 Å²	81	47.9 Å²	47.9	38%	0.379	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-37	-177.7	-65	-175.2	19.8	0	0	112.5	I131 D135 M136 V137 P214 F215	I131-Q133 PolarHBondContact O-N 3.05Å; Q133-D135 VanDerWaalsContact C-N 3.29Å; Q133-D135 PolarHBondContact O-N 3.37Å; Q133-M136 PolarHBondContact O-N 2.85Å; Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 3.1Å; Q133-P214 HydrophobicContact CG-CG 4.07Å; Q133-F215 HydrophobicContact CB-CD2 4.12Å; Q133-F215 HydrophobicContact CB-CE2 4.2Å
134	L	97.6	Very high	97.9	Very high	107 Å²	107	52.5 Å²	52.5	56%	0.56	27%	0.265	S	S	*	.	H	α-helix	trans	-61.5	-37.5	176.7	-179.8	60.7	0	0	0	112.3	P132 V137 R138	P132-L134 PolarHBondContact O-N 3.19Å; P132-L134 VanDerWaalsContact O-N 3.16Å; L134-V137 PolarHBondContact O-N 3.15Å; L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.88Å; L134-R138 VanDerWaalsContact O-N 3.15Å
135	D	98.4	Very high	97.7	Very high	44 Å²	44	58.5 Å²	58.5	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-39.2	176.9	-67.5	-26.8	0	0	0	110.7	A110 I131 P132 Q133 V137 R138 V139	A110-D135 HydrophobicContact CB-CB 3.75Å; I131-D135 HydrophobicContact CG2-CB 4.24Å; P132-D135 HydrophobicContact CB-CB 4.42Å; P132-D135 WeakPolarHBondContact O-CB 3.35Å; P132-D135 PolarHBondContact O-N 2.93Å; Q133-D135 VanDerWaalsContact C-N 3.29Å; Q133-D135 PolarHBondContact O-N 3.37Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.05Å; D135-R138 WeakPolarHBondContact O-CB 3.3Å; D135-R138 PolarHBondContact O-N 2.9Å; D135-R138 VanDerWaalsContact O-N 3.14Å; D135-R138 IonicContact OD1-NH1 2.85Å; D135-R138 PolarHBondContact OD1-NH1 3.45Å; D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 2.75Å
136	M	98.5	Very high	97.5	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-30.3	173.3	-75.1	-50.9	-50.5	0	0	113.9	I113 I131 P132 Q133 R138 V139 K140 L151 P154 F215	I113-M136 HydrophobicContact CD1-SD 4.07Å; I131-M136 HydrophobicContact CB-CG 4.18Å; I131-M136 HydrophobicContact CD1-SD 4.14Å; I131-M136 HydrophobicContact CG2-CG 3.87Å; I131-M136 HydrophobicContact CG2-SD 4.12Å; P132-M136 PolarHBondContact O-N 3.34Å; Q133-M136 PolarHBondContact O-N 2.85Å; M136-R138 VanDerWaalsContact C-N 3.35Å; M136-V139 HydrophobicContact CE-CB 4.01Å; M136-V139 HydrophobicContact CE-CG1 3.8Å; M136-V139 PolarHBondContact O-N 3.33Å; M136-V139 HydrophobicContact SD-CB 4.28Å; M136-V139 HydrophobicContact SD-CG1 4.43Å; M136-V139 HydrophobicContact SD-CG2 4.31Å; M136-K140 VanDerWaalsContact O-CB 3.27Å; M136-K140 WeakPolarHBondContact O-CB 3.33Å; M136-K140 PolarHBondContact O-N 3.37Å; M136-L151 HydrophobicContact CE-CD2 3.91Å; M136-P154 VanDerWaalsContact CE-CD 3.4Å; M136-P154 HydrophobicContact CE-CG 4.01Å; M136-P154 HydrophobicContact CG-CG 3.85Å; M136-P154 HydrophobicContact SD-CG 3.68Å; M136-F215 HydrophobicContact CB-CB 3.91Å; M136-F215 WeakPolarHBondContact CE-O 3.33Å
137	V	98	Very high	97.3	Very high	61 Å²	61	61 Å²	61	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-42.6	169.7	170.1	0	0	0	0	110.8	Q133 L134 D135 K140 Q141 F215	Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 3.1Å; L134-V137 PolarHBondContact O-N 3.15Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.05Å; V137-K140 PolarHBondContact O-N 3.27Å; V137-Q141 PolarHBondContact O-N 3.26Å; V137-F215 HydrophobicContact CG2-CD1 3.97Å; V137-F215 HydrophobicContact CG2-CD2 3.95Å; V137-F215 HydrophobicContact CG2-CE1 3.95Å; V137-F215 HydrophobicContact CG2-CE2 3.94Å; V137-F215 HydrophobicContact CG2-CG 3.97Å; V137-F215 HydrophobicContact CG2-CZ 3.94Å
138	R	97.9	Very high	97.2	Very high	139 Å²	139	62.6 Å²	62.6	53%	0.525	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176	-66.4	166.3	175.8	168	-7.6	111.8	L134 D135 M136 Q141 R142	L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.88Å; L134-R138 VanDerWaalsContact O-N 3.15Å; D135-R138 WeakPolarHBondContact O-CB 3.3Å; D135-R138 PolarHBondContact O-N 2.9Å; D135-R138 VanDerWaalsContact O-N 3.14Å; D135-R138 IonicContact OD1-NH1 2.85Å; D135-R138 PolarHBondContact OD1-NH1 3.45Å; M136-R138 VanDerWaalsContact C-N 3.35Å; R138-Q141 PolarHBondContact O-N 2.74Å; R138-R142 PolarHBondContact O-N 2.91Å
139	V	98.4	Very high	97.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-48.9	173.5	168.9	0	0	0	0	110.2	A110 I113 L114 D135 M136 Q141 R142 L143 L151	A110-V139 HydrophobicContact CB-CG2 4.13Å; I113-V139 HydrophobicContact CB-CG1 4.47Å; I113-V139 HydrophobicContact CD1-CG1 4.48Å; I113-V139 HydrophobicContact CG2-CG1 3.64Å; L114-V139 HydrophobicContact CD2-CG2 4.4Å; L114-V139 HydrophobicContact CG-CG2 4.32Å; D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 2.75Å; M136-V139 HydrophobicContact CE-CB 4.01Å; M136-V139 HydrophobicContact CE-CG1 3.8Å; M136-V139 PolarHBondContact O-N 3.33Å; M136-V139 HydrophobicContact SD-CB 4.28Å; M136-V139 HydrophobicContact SD-CG1 4.43Å; M136-V139 HydrophobicContact SD-CG2 4.31Å; V139-Q141 VanDerWaalsContact C-N 3.33Å; V139-Q141 PolarHBondContact O-N 2.8Å; V139-R142 PolarHBondContact O-N 2.67Å; V139-L143 HydrophobicContact CG1-CD1 3.83Å; V139-L143 HydrophobicContact CG1-CG 4.26Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.42Å; V139-L151 HydrophobicContact CG1-CD2 4.06Å
140	K	97.5	Very high	97.2	Very high	61 Å²	61	56.3 Å²	56.3	27%	0.265	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-39.7	179.5	-167.2	153.2	-172	154.1	0	112.3	M136 V137 R142 L143 L144 N216	M136-K140 VanDerWaalsContact O-CB 3.27Å; M136-K140 WeakPolarHBondContact O-CB 3.33Å; M136-K140 PolarHBondContact O-N 3.37Å; V137-K140 PolarHBondContact O-N 3.27Å; K140-R142 VanDerWaalsContact C-N 3.28Å; K140-R142 PolarHBondContact O-N 3.01Å; K140-L143 PolarHBondContact O-N 3.04Å; K140-L144 HydrophobicContact CG-CD1 4.29Å; K140-L144 HydrophobicContact CG-CG 4.49Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.37Å; K140-L144 PolarHBondContact O-N 3.19Å; K140-N216 PolarHBondContact NZ-O 2.87Å
141	Q	96.9	Very high	97.2	Very high	112 Å²	112	54 Å²	54	52%	0.523	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-36.8	174.3	-169.5	-172.4	12.8	0	0	112.6	V137 R138 V139 K145	V137-Q141 PolarHBondContact O-N 3.26Å; R138-Q141 PolarHBondContact O-N 2.74Å; V139-Q141 VanDerWaalsContact C-N 3.33Å; V139-Q141 PolarHBondContact O-N 2.8Å; Q141-K145 WeakPolarHBondContact O-CG 3.27Å
142	R	97	Very high	97.3	Very high	119 Å²	119	53.6 Å²	53.6	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-74.5	-41.4	176.2	-65.8	-74.5	-75.6	-95.5	-6	111.2	L114 M117 E118 R138 V139 K140 L144 K145	L114-R142 HydrophobicContact CD2-CB 4.13Å; L114-R142 HydrophobicContact CD2-CG 3.99Å; M117-R142 HydrophobicContact CE-CB 3.67Å; E118-R142 IonicContact OE1-NH2 2.78Å; E118-R142 PolarHBondContact OE1-NH2 3.2Å; R138-R142 PolarHBondContact O-N 2.91Å; V139-R142 PolarHBondContact O-N 2.67Å; K140-R142 VanDerWaalsContact C-N 3.28Å; K140-R142 PolarHBondContact O-N 3.01Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 3.47Å; R142-K145 PolarHBondContact O-N 3.43Å; R142-K145 VanDerWaalsContact O-N 3.12Å
143	L	96.9	Very high	97.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-44	178.7	-75.8	168.4	0	0	0	111.6	Y27 M117 V139 K140 K145 Q146 L151	Y27-L143 HydrophobicContact CD2-CB 4.3Å; Y27-L143 WeakPolarHBondContact CD2-O 3.23Å; Y27-L143 HydrophobicContact CE1-CB 4.46Å; Y27-L143 HydrophobicContact CE2-CB 3.91Å; Y27-L143 HydrophobicContact CE2-CD2 3.72Å; Y27-L143 HydrophobicContact CE2-CG 4.34Å; M117-L143 HydrophobicContact CE-CB 4.44Å; M117-L143 HydrophobicContact CE-CD2 3.76Å; M117-L143 HydrophobicContact CE-CG 3.95Å; M117-L143 HydrophobicContact CG-CD2 4.2Å; M117-L143 HydrophobicContact SD-CD2 3.5Å; M117-L143 WeakPolarHBondContact SD-CD2 3.2Å; M117-L143 HydrophobicContact SD-CG 3.81Å; V139-L143 HydrophobicContact CG1-CD1 3.83Å; V139-L143 HydrophobicContact CG1-CG 4.26Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.42Å; K140-L143 PolarHBondContact O-N 3.04Å; L143-K145 PolarHBondContact O-N 3.33Å; L143-K145 VanDerWaalsContact O-N 3.14Å; L143-Q146 WeakPolarHBondContact O-CG 3.23Å; L143-Q146 PolarHBondContact O-N 3.28Å; L143-Q146 PolarHBondContact O-NE2 3.43Å; L143-Q146 VanDerWaalsContact O-NE2 3.13Å; L143-L151 HydrophobicContact CD1-CB 3.83Å; L143-L151 HydrophobicContact CD1-CD2 3.66Å; L143-L151 HydrophobicContact CD1-CG 4.38Å; L143-L151 HydrophobicContact CD2-CB 4.02Å
144	L	95.9	Very high	97.4	Very high	101 Å²	101	46.7 Å²	46.7	53%	0.529	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-7.3	-179.3	-65.8	175.6	0	0	0	114.4	Y27 K140 R142	Y27-L144 HydrophobicContact CD1-CD2 4.07Å; Y27-L144 HydrophobicContact CG-CD2 4.47Å; K140-L144 HydrophobicContact CG-CD1 4.29Å; K140-L144 HydrophobicContact CG-CG 4.49Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.37Å; K140-L144 PolarHBondContact O-N 3.19Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 3.47Å
145	K	95.4	Very high	97.4	Very high	125 Å²	125	42.3 Å²	42.3	54%	0.543	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	15	179.7	-67.8	178.4	178.6	-178.2	0	113	Y25 Q141 R142 L143	Y25-K145 WeakPolarHBondContact CD2-O 3.44Å; Q141-K145 WeakPolarHBondContact O-CG 3.27Å; R142-K145 PolarHBondContact O-N 3.43Å; R142-K145 VanDerWaalsContact O-N 3.12Å; L143-K145 PolarHBondContact O-N 3.33Å; L143-K145 VanDerWaalsContact O-N 3.14Å
146	Q	94.4	Very high	97.4	Very high	26 Å²	26	40.6 Å²	40.6	12%	0.121	19%	0.188	C	C	.	.			trans	-149.5	166.6	-178.1	64.4	75.7	37.2	0	0	111	Y27 M117 L143 C149	Y27-Q146 WeakPolarHBondContact CA-O 3.22Å; Y27-Q146 VanDerWaalsContact CD2-NE2 3.28Å; Y27-Q146 VanDerWaalsContact CE2-NE2 3.34Å; M117-Q146 HydrophobicContact CE-CG 4.06Å; L143-Q146 WeakPolarHBondContact O-CG 3.23Å; L143-Q146 PolarHBondContact O-N 3.28Å; L143-Q146 PolarHBondContact O-NE2 3.43Å; L143-Q146 VanDerWaalsContact O-NE2 3.13Å; Q146-C149 PolarHBondContact NE2-O 3.15Å
147	S	94.7	Very high	97.4	Very high	26 Å²	26	40.8 Å²	40.8	18%	0.182	19%	0.19	C	C	.	.	S	Bend	trans	-136.3	7.8	-179.2	55.4	0	0	0	0	113.9	N26 R32	N26-S147 WeakPolarHBondContact O-CB 3.19Å; R32-S147 PolarHBondContact NH2-O 3.25Å
148	D	96.3	Very high	97.5	Very high	55 Å²	55	38 Å²	38	29%	0.294	17%	0.173	S	C	.	.	S	Bend	trans	-87.8	-23.1	-175.8	-67.3	-15.4	0	0	0	111.6	Y33 K120	Y33-D148 WeakPolarHBondContact CE2-O 3.47Å; K120-D148 HydrophobicContact CB-CB 4.33Å; K120-D148 HydrophobicContact CD-CB 4.44Å; K120-D148 WeakPolarHBondContact CD-OD2 3.04Å; K120-D148 WeakPolarHBondContact CE-OD2 3.2Å; K120-D148 HydrophobicContact CG-CB 4.27Å; K120-D148 IonicContact NZ-OD2 2.85Å; K120-D148 PolarHBondContact NZ-OD2 3.35Å
149	C	97.9	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.			trans	-128.4	150.9	-175.8	-55.7	0	0	0	0	111.5	Y27 S30 M117 V121 P122 I124 Q146	Y27-C149 WeakPolarHBondContact CE2-O 3.32Å; S30-C149 VanDerWaalsContact CB-O 3.25Å; S30-C149 WeakPolarHBondContact CB-O 3.24Å; S30-C149 PolarHBondContact OG-O 2.86Å; M117-C149 HydrophobicContact CG-CB 4.35Å; V121-C149 PolarHBondContact O-SG 2.62Å; P122-C149 CarbonylContact O-C 3.55Å; P122-C149 WeakPolarHBondContact O-CA 3.5Å; I124-C149 HydrophobicContact CD1-CB 4.18Å; Q146-C149 PolarHBondContact NE2-O 3.15Å
150	R	98.7	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.7	168.3	173.8	51.5	55.4	161.3	8.4	109.5	Y27 S30 Y33 L34 P122 L123 I124 G217 T218 D222	Y27-R150 PolarHBondContact O-NH2 3.39Å; S30-R150 WeakPolarHBondContact O-CB 3.21Å; S30-R150 PolarHBondContact OG-NE 3.5Å; S30-R150 PolarHBondContact OG-NH2 3.3Å; Y33-R150 HydrophobicContact CD2-CB 4.23Å; L34-R150 HydrophobicContact CD2-CG 3.8Å; L34-R150 HydrophobicContact CG-CG 4.07Å; P122-R150 PolarHBondContact O-N 2.89Å; L123-R150 HydrophobicContact CD1-CB 4.3Å; L123-R150 HydrophobicContact CD1-CG 4.13Å; I124-R150 PolarHBondContact N-O 2.78Å; R150-G217 PolarHBondContact NH1-O 3.1Å; R150-T218 WeakPolarHBondContact CD-OG1 3.47Å; R150-D222 IonicContact CZ-OD2 3.5Å; R150-D222 VanDerWaalsContact NH1-CG 3.25Å; R150-D222 IonicContact NH1-OD1 2.85Å; R150-D222 IonicContact NH1-OD2 3.57Å; R150-D222 PolarHBondContact NH1-OD2 3.07Å; R150-D222 IonicContact NH2-OD1 3.36Å
151	L	98.9	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128	175	171.4	71	0	0	0	111.3	Y27 I113 I124 C126 M136 V139 L143 G217 T218	Y27-L151 PolarHBondContact OH-N 2.79Å; I113-L151 HydrophobicContact CD1-CD1 4.21Å; I113-L151 HydrophobicContact CD1-CD2 4.22Å; I113-L151 HydrophobicContact CG1-CD1 4.24Å; I113-L151 HydrophobicContact CG2-CD1 4.28Å; I113-L151 HydrophobicContact CG2-CD2 4.25Å; I124-L151 HydrophobicContact CB-CD1 4.05Å; I124-L151 HydrophobicContact CG2-CD1 3.69Å; I124-L151 CarbonylContact O-C 3.44Å; I124-L151 WeakPolarHBondContact O-CA 3.35Å; C126-L151 HydrophobicContact CB-CD1 4Å; M136-L151 HydrophobicContact CE-CD2 3.91Å; V139-L151 HydrophobicContact CG1-CD2 4.06Å; L143-L151 HydrophobicContact CD1-CB 3.83Å; L143-L151 HydrophobicContact CD1-CD2 3.66Å; L143-L151 HydrophobicContact CD1-CG 4.38Å; L143-L151 HydrophobicContact CD2-CB 4.02Å; L151-G217 CarbonylContact O-C 3.54Å; L151-G217 WeakPolarHBondContact O-CA 3.33Å; L151-G217 VanDerWaalsContact O-O 3.13Å; L151-T218 WeakPolarHBondContact O-CB 3.29Å; L151-T218 PolarHBondContact O-N 3.04Å; L151-T218 PolarHBondContact O-OG1 2.97Å
152	V	98.9	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.9	163.8	179.1	0	0	0	0	108.6	L34 L123 I124 V125 C126 V208 G209	L34-V152 HydrophobicContact CD2-CG2 3.39Å; L123-V152 HydrophobicContact CD1-CG2 4.01Å; I124-V152 PolarHBondContact O-N 2.68Å; V125-V152 HydrophobicContact CG1-CB 4.48Å; V125-V152 HydrophobicContact CG2-CB 4.37Å; C126-V152 PolarHBondContact N-O 2.75Å; V152-V208 HydrophobicContact CG1-CG1 4.12Å; V152-V208 HydrophobicContact CG2-CG1 4.39Å; V152-G209 VanDerWaalsContact CG1-O 3.25Å; V152-G209 WeakPolarHBondContact CG1-O 3.34Å
153	G	98.6	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	89.3	-163	-172.3	0	0	0	0	0	113.7	N216 G217	G153-N216 VanDerWaalsContact O-CA 3.28Å; G153-N216 WeakPolarHBondContact O-CA 3.49Å; G153-N216 VanDerWaalsContact O-CB 3.22Å; G153-N216 WeakPolarHBondContact O-CB 3.22Å; G153-G217 PolarHBondContact O-N 2.8Å
154	P	98.7	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	S	Bend	cis	-75.9	-169.7	12.2	36.4	-42.3	0	0	0	113.8	C126 I131 M136 C156 D213	C126-P154 HydrophobicContact CB-CB 4.13Å; C126-P154 CarbonylContact O-C 3.48Å; C126-P154 VanDerWaalsContact O-CA 3.3Å; C126-P154 WeakPolarHBondContact O-CA 3.25Å; I131-P154 HydrophobicContact CD1-CB 3.57Å; I131-P154 HydrophobicContact CD1-CG 4.03Å; I131-P154 HydrophobicContact CG1-CB 4.33Å; M136-P154 VanDerWaalsContact CE-CD 3.4Å; M136-P154 HydrophobicContact CE-CG 4.01Å; M136-P154 HydrophobicContact CG-CG 3.85Å; M136-P154 HydrophobicContact SD-CG 3.68Å; P154-C156 PolarHBondContact O-N 3.24Å; P154-D213 HydrophobicContact CG-CB 4.21Å; P154-D213 WeakPolarHBondContact CG-OD2 3.29Å
155	N	98.5	Very high	97.9	Very high	16 Å²	16	19.6 Å²	19.6	9%	0.086	11%	0.105	C	C	.	.	S	Bend	trans	50.9	53	177.9	-170.6	11.1	0	0	0	112.2	T128 E129 G211 G212 D213	T128-N155 PolarHBondContact O-N 3.42Å; E129-N155 HydrophobicContact CB-CB 4.33Å; E129-N155 HydrophobicContact CG-CB 4.43Å; N155-G211 CarbonylContact O-C 3.54Å; N155-G211 WeakPolarHBondContact O-CA 3.37Å; N155-G212 PolarHBondContact O-N 3.41Å; N155-D213 HydrophobicContact CB-CB 4.21Å; N155-D213 VanDerWaalsContact CB-CG 3.42Å; N155-D213 VanDerWaalsContact CB-OD1 3.28Å; N155-D213 WeakPolarHBondContact CB-OD1 3.35Å; N155-D213 PolarHBondContact ND2-OD1 3.47Å
156	C	98.7	Very high	98	Very high	7 Å²	7	13.8 Å²	13.8	5%	0.047	8%	0.08	C	C	.	.	S	Bend	trans	-135.1	155.1	-171.6	80.5	0	0	0	0	112.3	C126 I127 P154 G158 G209	C126-C156 PolarHBondContact O-SG 3.06Å; I127-C156 WeakPolarHBondContact CD1-O 3.29Å; P154-C156 PolarHBondContact O-N 3.24Å; C156-G158 PolarHBondContact O-N 3.21Å; C156-G209 VanDerWaalsContact CB-O 3.26Å; C156-G209 WeakPolarHBondContact CB-O 3.36Å
157	P	98.5	Very high	98.2	Very high	8 Å²	8	12.6 Å²	12.6	5%	0.052	7%	0.074	C	C	.	.			trans	-74.4	-15.7	174.7	33.8	-39	0	0	0	112.6	G168 I169 M170	P157-G168 CarbonylContact O-C 3.46Å; P157-G168 WeakPolarHBondContact O-CA 3.09Å; P157-I169 HydrophobicContact CB-CG1 4.16Å; P157-I169 PolarHBondContact O-N 2.82Å; P157-M170 WeakPolarHBondContact O-CE 3.33Å
158	G	98.7	Very high	98.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.3	-153	-176.3	0	0	0	0	0	113.8	C156 I167 M170 G209	C156-G158 PolarHBondContact O-N 3.21Å; G158-I167 CarbonylContact C-O 3.58Å; G158-I167 VanDerWaalsContact CA-O 3.29Å; G158-I167 WeakPolarHBondContact CA-O 3.33Å; G158-M170 VanDerWaalsContact C-CE 3.46Å; G158-G209 PolarHBondContact O-N 2.82Å
159	I	98.9	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.8	-173.8	-176.8	167.9	0	0	0	110.5	L34 I36 L123 V125 I167 L206 C207 V208	L34-I159 HydrophobicContact CB-CD1 4.27Å; L34-I159 HydrophobicContact CD2-CD1 4.26Å; L34-I159 WeakPolarHBondContact O-CD1 3.48Å; I36-I159 HydrophobicContact CD1-CB 4.42Å; I36-I159 HydrophobicContact CD1-CD1 4.48Å; I36-I159 HydrophobicContact CD1-CG1 3.9Å; I36-I159 HydrophobicContact CD1-CG2 4.01Å; I36-I159 HydrophobicContact CG1-CD1 4.45Å; I36-I159 HydrophobicContact CG1-CG1 4.33Å; L123-I159 HydrophobicContact CD2-CG2 4.3Å; V125-I159 HydrophobicContact CG2-CG2 3.9Å; I159-I167 HydrophobicContact CG2-CB 3.97Å; I159-I167 PolarHBondContact N-O 3.19Å; I159-I167 PolarHBondContact O-N 2.85Å; I159-L206 HydrophobicContact CD1-CD1 4.07Å; I159-L206 HydrophobicContact CD1-CD2 4.5Å; I159-L206 HydrophobicContact CG1-CD1 3.92Å; I159-C207 WeakPolarHBondContact CA-O 3.26Å; I159-V208 HydrophobicContact CD1-CG1 4.41Å; I159-V208 HydrophobicContact CD1-CG2 3.82Å; I159-V208 HydrophobicContact CG1-CG2 4.05Å
160	I	98.9	Very high	98.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	131.4	-180	-176.3	168.9	0	0	0	111.2	Y62 C165 K166 M170 H175 C207	Y62-I160 HydrophobicContact CE1-CD1 4.04Å; Y62-I160 HydrophobicContact CE1-CG1 4.37Å; I160-C165 WeakPolarHBondContact CA-O 3.4Å; I160-K166 HydrophobicContact CD1-CB 3.97Å; I160-K166 HydrophobicContact CD1-CD 4.17Å; I160-K166 HydrophobicContact CD1-CG 4.01Å; I160-K166 HydrophobicContact CG1-CB 4.04Å; I160-K166 HydrophobicContact CG1-CG 4.4Å; I160-M170 HydrophobicContact CB-CE 4.26Å; I160-M170 HydrophobicContact CB-CG 4.19Å; I160-M170 HydrophobicContact CB-SD 4.14Å; I160-M170 HydrophobicContact CD1-CG 3.98Å; I160-M170 HydrophobicContact CD1-SD 4.45Å; I160-M170 HydrophobicContact CG2-CE 4.33Å; I160-M170 HydrophobicContact CG2-CG 3.99Å; I160-M170 HydrophobicContact CG2-SD 4.46Å; I160-H175 HydrophobicContact CD1-CB 4.3Å; I160-H175 WeakPolarHBondContact CG2-NE2 3.43Å; I160-C207 HydrophobicContact CG2-CB 3.69Å; I160-C207 PolarHBondContact N-O 2.78Å; I160-C207 PolarHBondContact O-N 3.38Å
161	R	98.6	Very high	98.5	Very high	37 Å²	37	13.5 Å²	13.5	14%	0.14	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.9	163.9	-172.8	160	-148	-129.4	15.5	107.6	I36 S163 Q164 C165 L206 E232	I36-R161 HydrophobicContact CD1-CB 4.36Å; I36-R161 HydrophobicContact CG1-CB 3.97Å; I36-R161 WeakPolarHBondContact O-CD 3.3Å; R161-S163 PolarHBondContact O-N 2.68Å; R161-Q164 HydrophobicContact CB-CB 4.27Å; R161-Q164 HydrophobicContact CG-CB 4.1Å; R161-Q164 HydrophobicContact CG-CG 4.42Å; R161-Q164 PolarHBondContact O-N 3.45Å; R161-C165 PolarHBondContact N-O 2.85Å; R161-C165 PolarHBondContact O-N 3.28Å; R161-L206 HydrophobicContact CB-CD1 4.06Å; R161-E232 IonicContact CZ-OE2 3.44Å; R161-E232 IonicContact NH1-OE2 2.74Å; R161-E232 IonicContact NH2-OE2 3.26Å; R161-E232 PolarHBondContact NH2-OE2 2.91Å
162	P	98.5	Very high	98.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.5	-169.6	-27.3	35.2	0	0	0	112.9	Q164 H175 R177 Q204	P162-Q164 PolarHBondContact O-N 3.29Å; P162-Q164 VanDerWaalsContact O-N 3.12Å; P162-H175 HydrophobicContact CB-CB 3.99Å; P162-H175 HydrophobicContact CG-CB 3.95Å; P162-R177 HydrophobicContact CB-CB 4.48Å; P162-Q204 HydrophobicContact CG-CB 4.03Å; P162-Q204 WeakPolarHBondContact CG-O 3.15Å
163	S	96.7	Very high	98.3	Very high	88 Å²	88	21.6 Å²	21.6	62%	0.615	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	9.7	-177.7	-47.9	0	0	0	0	115.4	Y62 R161	Y62-S163 PolarHBondContact OH-N 2.84Å; R161-S163 PolarHBondContact O-N 2.68Å
164	Q	98.1	Very high	98.3	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.093	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-60	-178.6	-70.2	178.9	56.3	0	0	112.3	R161 P162	R161-Q164 HydrophobicContact CB-CB 4.27Å; R161-Q164 HydrophobicContact CG-CB 4.1Å; R161-Q164 HydrophobicContact CG-CG 4.42Å; R161-Q164 PolarHBondContact O-N 3.45Å; P162-Q164 PolarHBondContact O-N 3.29Å; P162-Q164 VanDerWaalsContact O-N 3.12Å
165	C	98.6	Very high	98.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.1	-175.1	-179.1	0	0	0	0	111.2	I36 N37 I160 R161	I36-C165 HydrophobicContact CB-CB 4.43Å; I36-C165 HydrophobicContact CD1-CB 4.09Å; I36-C165 HydrophobicContact CG1-CB 4.4Å; N37-C165 WeakPolarHBondContact O-CB 3.5Å; I160-C165 WeakPolarHBondContact CA-O 3.4Å; R161-C165 PolarHBondContact N-O 2.85Å; R161-C165 PolarHBondContact O-N 3.28Å
166	K	98.7	Very high	98.3	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.6	179.7	170.2	-180	144	56.6	0	108.8	M59 Y62 T64 I160 G168 M170	M59-K166 WeakPolarHBondContact CE-O 3.49Å; M59-K166 WeakPolarHBondContact CG-O 3.5Å; Y62-K166 HydrophobicContact CD1-CB 3.32Å; Y62-K166 HydrophobicContact CD1-CD 4.15Å; Y62-K166 HydrophobicContact CD1-CG 4.33Å; Y62-K166 HydrophobicContact CD2-CD 4.43Å; Y62-K166 HydrophobicContact CE1-CB 3.67Å; Y62-K166 HydrophobicContact CG-CB 4.06Å; Y62-K166 HydrophobicContact CG-CD 4.03Å; T64-K166 PolarHBondContact OG1-N 3.14Å; T64-K166 PolarHBondContact OG1-O 2.97Å; I160-K166 HydrophobicContact CD1-CB 3.97Å; I160-K166 HydrophobicContact CD1-CD 4.17Å; I160-K166 HydrophobicContact CD1-CG 4.01Å; I160-K166 HydrophobicContact CG1-CB 4.04Å; I160-K166 HydrophobicContact CG1-CG 4.4Å; K166-G168 PolarHBondContact NZ-O 2.84Å; K166-M170 HydrophobicContact CD-SD 4.01Å; K166-M170 WeakPolarHBondContact CE-O 3.37Å; K166-M170 HydrophobicContact CG-SD 3.53Å; K166-M170 VanDerWaalsContact CG-SD 3.53Å; K166-M170 PolarHBondContact NZ-O 2.91Å; K166-M170 PolarHBondContact NZ-SD 3.44Å
167	I	98.8	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	100.1	176.6	-48.9	-177.6	0	0	0	108.5	I36 T40 V42 M59 A99 V101 L123 V125 G158 I159	I36-I167 HydrophobicContact CD1-CD1 4.49Å; I36-I167 HydrophobicContact CD1-CG1 4.38Å; I36-I167 HydrophobicContact CG2-CD1 4.04Å; T40-I167 HydrophobicContact CG2-CD1 4.42Å; V42-I167 HydrophobicContact CG1-CD1 4.44Å; V42-I167 HydrophobicContact CG1-CG2 4.36Å; V42-I167 HydrophobicContact CG2-CD1 3.75Å; V42-I167 HydrophobicContact CG2-CG1 4.04Å; M59-I167 HydrophobicContact CE-CG2 4.44Å; A99-I167 HydrophobicContact CB-CD1 3.77Å; V101-I167 HydrophobicContact CB-CG2 3.69Å; V101-I167 HydrophobicContact CG2-CG2 4.04Å; L123-I167 HydrophobicContact CD2-CD1 4.2Å; V125-I167 HydrophobicContact CB-CG2 3.93Å; V125-I167 HydrophobicContact CG1-CG2 4.3Å; V125-I167 HydrophobicContact CG2-CB 4.36Å; V125-I167 HydrophobicContact CG2-CG2 3.75Å; G158-I167 CarbonylContact C-O 3.58Å; G158-I167 VanDerWaalsContact CA-O 3.29Å; G158-I167 WeakPolarHBondContact CA-O 3.33Å; I159-I167 HydrophobicContact CG2-CB 3.97Å; I159-I167 PolarHBondContact N-O 3.19Å; I159-I167 PolarHBondContact O-N 2.85Å
168	G	98.6	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.4	-151.4	178.9	0	0	0	0	0	114.3	Y103 P157 K166	Y103-G168 WeakPolarHBondContact OH-CA 3.44Å; Y103-G168 PolarHBondContact OH-O 2.89Å; P157-G168 CarbonylContact O-C 3.46Å; P157-G168 WeakPolarHBondContact O-CA 3.09Å; K166-G168 PolarHBondContact NZ-O 2.84Å
169	I	98.7	Very high	98.2	Very high	59 Å²	59	31.5 Å²	31.5	30%	0.303	17%	0.169	S	C	.	.	S	Bend	trans	-111.2	-1.2	-164.4	65.4	170.3	0	0	0	115	H55 Y103 I127 P157	H55-I169 VanDerWaalsContact CE1-CG2 3.46Å; H55-I169 WeakPolarHBondContact CE1-CG2 3.37Å; H55-I169 WeakPolarHBondContact NE2-CG2 3.41Å; Y103-I169 HydrophobicContact CE1-CG2 3.65Å; I127-I169 HydrophobicContact CG2-CD1 4.27Å; I127-I169 HydrophobicContact CG2-CG2 3.74Å; P157-I169 HydrophobicContact CB-CG1 4.16Å; P157-I169 PolarHBondContact O-N 2.82Å
170	M	98.5	Very high	98.2	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.025	17%	0.169	C	C	.	.	S	Bend	trans	-64.4	146.1	-179.4	68.8	-64.2	-73.1	0	0	113.7	P157 G158 I160 K166 G172 Y191	P157-M170 WeakPolarHBondContact O-CE 3.33Å; G158-M170 VanDerWaalsContact C-CE 3.46Å; I160-M170 HydrophobicContact CB-CE 4.26Å; I160-M170 HydrophobicContact CB-CG 4.19Å; I160-M170 HydrophobicContact CB-SD 4.14Å; I160-M170 HydrophobicContact CD1-CG 3.98Å; I160-M170 HydrophobicContact CD1-SD 4.45Å; I160-M170 HydrophobicContact CG2-CE 4.33Å; I160-M170 HydrophobicContact CG2-CG 3.99Å; I160-M170 HydrophobicContact CG2-SD 4.46Å; K166-M170 HydrophobicContact CD-SD 4.01Å; K166-M170 WeakPolarHBondContact CE-O 3.37Å; K166-M170 HydrophobicContact CG-SD 3.53Å; K166-M170 VanDerWaalsContact CG-SD 3.53Å; K166-M170 PolarHBondContact NZ-O 2.91Å; K166-M170 PolarHBondContact NZ-SD 3.44Å; M170-G172 PolarHBondContact O-N 3.27Å; M170-G172 VanDerWaalsContact O-N 3.11Å; M170-Y191 WeakPolarHBondContact CA-OH 3.27Å; M170-Y191 HydrophobicContact CB-CD1 4.38Å; M170-Y191 HydrophobicContact CB-CE1 3.47Å; M170-Y191 VanDerWaalsContact CB-CE1 3.47Å
171	P	97.7	Very high	98.2	Very high	37 Å²	37	31.4 Å²	31.4	24%	0.24	17%	0.168	C	C	.	.			trans	-66.5	111.6	172.6	25	-30.7	0	0	0	110.3	H173 I174 H175 Y191	P171-H173 VanDerWaalsContact C-N 3.29Å; P171-H173 PolarHBondContact O-N 2.87Å; P171-I174 HydrophobicContact CB-CG1 4.39Å; P171-I174 HydrophobicContact CG-CD1 3.74Å; P171-I174 HydrophobicContact CG-CG1 3.95Å; P171-I174 VanDerWaalsContact O-CG1 3.3Å; P171-I174 WeakPolarHBondContact O-CG1 3.42Å; P171-H175 PolarHBondContact O-CE1 2.76Å; P171-H175 PolarHBondContact O-ND1 3.17Å; P171-Y191 HydrophobicContact CG-CD1 4.44Å; P171-Y191 HydrophobicContact CG-CD2 4.3Å; P171-Y191 HydrophobicContact CG-CE2 4.46Å; P171-Y191 HydrophobicContact CG-CG 4.31Å
172	G	97.5	Very high	98.2	Very high	8 Å²	8	29.7 Å²	29.7	8%	0.082	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-65.3	-30.5	-176.3	0	0	0	0	0	114	Y62 M170 I174 H175	Y62-G172 VanDerWaalsContact CE2-C 3.49Å; Y62-G172 VanDerWaalsContact CE2-CA 3.45Å; Y62-G172 WeakPolarHBondContact CE2-O 3.32Å; M170-G172 PolarHBondContact O-N 3.27Å; M170-G172 VanDerWaalsContact O-N 3.11Å; G172-I174 PolarHBondContact O-N 3.45Å; G172-H175 WeakPolarHBondContact O-CB 3.2Å; G172-H175 PolarHBondContact O-N 2.73Å
173	H	96.6	Very high	98.2	Very high	161 Å²	161	29.6 Å²	29.6	75%	0.745	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-72.6	-19.8	-171.9	60.6	-93.6	0	0	0	115.1	P171 H175	P171-H173 VanDerWaalsContact C-N 3.29Å; P171-H173 PolarHBondContact O-N 2.87Å; H173-H175 VanDerWaalsContact C-N 3.28Å
174	I	97.8	Very high	98.3	Very high	26 Å²	26	25.4 Å²	25.4	13%	0.133	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-80.4	-13.7	175.2	63.5	164.6	0	0	0	112.5	P171 G172 Y191 V194 T198	P171-I174 HydrophobicContact CB-CG1 4.39Å; P171-I174 HydrophobicContact CG-CD1 3.74Å; P171-I174 HydrophobicContact CG-CG1 3.95Å; P171-I174 VanDerWaalsContact O-CG1 3.3Å; P171-I174 WeakPolarHBondContact O-CG1 3.42Å; G172-I174 PolarHBondContact O-N 3.45Å; I174-Y191 HydrophobicContact CD1-CD1 4.33Å; I174-Y191 HydrophobicContact CD1-CG 4.2Å; I174-V194 HydrophobicContact CB-CG1 4.27Å; I174-V194 HydrophobicContact CD1-CB 4.16Å; I174-V194 HydrophobicContact CD1-CG1 3.79Å; I174-V194 HydrophobicContact CG1-CG1 3.74Å; I174-V194 VanDerWaalsContact O-CG1 3.29Å; I174-V194 WeakPolarHBondContact O-CG1 3.45Å; I174-T198 PolarHBondContact O-OG1 3.48Å; I174-T198 VanDerWaalsContact O-OG1 3.08Å
175	H	98.6	Very high	98.3	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.065	13%	0.131	C	C	.	.			trans	-87.2	139.7	-178.7	-63.7	75.6	0	0	0	110.4	I160 P162 P171 G172 H173 V194	I160-H175 HydrophobicContact CD1-CB 4.3Å; I160-H175 WeakPolarHBondContact CG2-NE2 3.43Å; P162-H175 HydrophobicContact CB-CB 3.99Å; P162-H175 HydrophobicContact CG-CB 3.95Å; P171-H175 PolarHBondContact O-CE1 2.76Å; P171-H175 PolarHBondContact O-ND1 3.17Å; G172-H175 WeakPolarHBondContact O-CB 3.2Å; G172-H175 PolarHBondContact O-N 2.73Å; H173-H175 VanDerWaalsContact C-N 3.28Å; H175-V194 HydrophobicContact CB-CG1 4.37Å; H175-V194 WeakPolarHBondContact NE2-CG2 3.23Å
176	A	98.3	Very high	98.2	Very high	34 Å²	34	25.8 Å²	25.8	28%	0.281	13%	0.134	S	C	.	.			trans	-129.7	139.1	173	0	0	0	0	0	109.2	G178 T198 G203 Q204	A176-G178 PolarHBondContact O-N 3.42Å; A176-T198 HydrophobicContact CB-CG2 3.95Å; A176-G203 CarbonylContact O-C 3.35Å; A176-G203 WeakPolarHBondContact O-CA 3.44Å; A176-Q204 VanDerWaalsContact N-OE1 3.12Å; A176-Q204 PolarHBondContact O-N 2.84Å; A176-Q204 PolarHBondContact O-OE1 3.16Å
177	R	98.1	Very high	98	Very high	138 Å²	138	26.3 Å²	26.3	52%	0.521	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	131.6	175.5	-175.5	178.2	-176.6	154	-0.1	109.4	P162 E232	P162-R177 HydrophobicContact CB-CB 4.48Å; R177-E232 IonicContact CZ-OE1 3.7Å; R177-E232 IonicContact NE-OE1 3.88Å; R177-E232 PolarHBondContact NE-OE1 2.87Å; R177-E232 IonicContact NH2-OE1 3.53Å; R177-E232 PolarHBondContact NH2-OE1 3Å; R177-E232 IonicContact NH2-OE2 3.88Å
178	G	98	Very high	97.9	Very high	21 Å²	21	31 Å²	31	22%	0.216	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-149.2	-178.5	0	0	0	0	0	112.2	A176 L202 Q204 S205	A176-G178 PolarHBondContact O-N 3.42Å; G178-L202 CarbonylContact C-O 3.57Å; G178-L202 WeakPolarHBondContact CA-O 3.22Å; G178-Q204 PolarHBondContact N-O 3.04Å; G178-Q204 CarbonylContact O-C 3.6Å; G178-S205 WeakPolarHBondContact O-CA 3.47Å; G178-S205 WeakPolarHBondContact O-CB 3.46Å; G178-S205 PolarHBondContact O-N 3.42Å
179	C	98.3	Very high	97.8	Very high	7 Å²	7	32.3 Å²	32.3	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	4	-162.7	66.2	0	0	0	0	115.5	L202 E232 T233 R234 G235	C179-L202 PolarHBondContact N-O 2.93Å; C179-E232 VanDerWaalsContact CA-O 3.3Å; C179-E232 WeakPolarHBondContact CA-O 3.44Å; C179-E232 WeakPolarHBondContact CB-O 3.44Å; C179-T233 CarbonylContact O-C 2.87Å; C179-T233 WeakPolarHBondContact O-CA 3.36Å; C179-R234 HydrophobicContact CB-CB 4Å; C179-R234 HydrophobicContact CB-CG 4.01Å; C179-R234 PolarHBondContact O-N 3.06Å; C179-R234 PolarHBondContact SG-NE 2.91Å; C179-R234 VanDerWaalsContact SG-NE 3.42Å; C179-R234 PolarHBondContact SG-NH2 3.1Å; C179-G235 PolarHBondContact O-N 3.09Å
180	I	98.8	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	-179.9	-52.5	-53.6	0	0	0	110.8	I182 T197 L202 G203 Q204 S205 G235 I237 I320 V324	I180-I182 HydrophobicContact CG2-CG1 4.05Å; I180-T197 HydrophobicContact CG1-CG2 4.23Å; I180-T197 HydrophobicContact CG2-CG2 4.33Å; I180-L202 HydrophobicContact CD1-CB 4.3Å; I180-L202 HydrophobicContact CD1-CD1 4.14Å; I180-L202 HydrophobicContact CG1-CB 3.79Å; I180-L202 HydrophobicContact CG1-CD1 4.14Å; I180-G203 WeakPolarHBondContact CB-O 3.3Å; I180-G203 WeakPolarHBondContact CG1-O 3.47Å; I180-G203 PolarHBondContact N-O 3.34Å; I180-Q204 CarbonylContact O-C 3.56Å; I180-Q204 WeakPolarHBondContact O-CA 3.36Å; I180-S205 VanDerWaalsContact C-OG 3.27Å; I180-S205 PolarHBondContact O-N 2.91Å; I180-S205 PolarHBondContact O-OG 3.27Å; I180-G235 CarbonylContact C-O 3.56Å; I180-G235 WeakPolarHBondContact CA-O 3.27Å; I180-I237 HydrophobicContact CG2-CB 4.48Å; I180-I237 HydrophobicContact CG2-CD1 3.92Å; I180-I237 HydrophobicContact CG2-CG1 3.81Å; I180-I320 HydrophobicContact CD1-CG1 3.86Å; I180-V324 HydrophobicContact CD1-CG2 4.11Å
181	G	98.8	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.3	168.8	0	0	0	0	0	109.5	S205 L206 G235 I236 I237	G181-S205 WeakPolarHBondContact CA-OG 3.36Å; G181-S205 PolarHBondContact N-OG 2.85Å; G181-L206 WeakPolarHBondContact CA-O 3.34Å; G181-G235 PolarHBondContact N-O 3.12Å; G181-I236 CarbonylContact O-C 3.38Å; G181-I236 WeakPolarHBondContact O-CA 3.44Å; G181-I237 PolarHBondContact O-N 3.3Å
182	I	98.9	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.5	-179.3	-53.1	-175.5	0	0	0	109.4	I180 T190 A193 V194 Q204 L206 C207 V208 I237 I239	I180-I182 HydrophobicContact CG2-CG1 4.05Å; I182-T190 HydrophobicContact CG2-CG2 4.14Å; I182-A193 HydrophobicContact CD1-CB 4.14Å; I182-V194 HydrophobicContact CD1-CG2 3.87Å; I182-Q204 HydrophobicContact CD1-CG 3.72Å; I182-Q204 HydrophobicContact CG1-CG 4.41Å; I182-L206 PolarHBondContact N-O 3.09Å; I182-C207 HydrophobicContact CB-CB 4.28Å; I182-C207 CarbonylContact O-C 3.49Å; I182-C207 WeakPolarHBondContact O-CA 3.39Å; I182-V208 PolarHBondContact O-N 2.95Å; I182-I237 WeakPolarHBondContact CA-O 3.35Å; I182-I237 HydrophobicContact CG1-CB 4.29Å; I182-I237 HydrophobicContact CG2-CB 4.48Å; I182-I239 HydrophobicContact CG2-CD1 4.33Å
183	V	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	170.5	56.8	0	0	0	0	109.9	V208 I210 F220 C223 F227 I237 I238 I239	V183-V208 WeakPolarHBondContact CA-O 3.32Å; V183-I210 HydrophobicContact CG2-CD1 4.45Å; V183-I210 HydrophobicContact CG2-CG1 4.48Å; V183-I210 HydrophobicContact CG2-CG2 3.79Å; V183-F220 HydrophobicContact CB-CD1 4.31Å; V183-F220 HydrophobicContact CG1-CD1 3.76Å; V183-F220 HydrophobicContact CG1-CE1 4.33Å; V183-F220 HydrophobicContact CG2-CD1 3.66Å; V183-F220 HydrophobicContact CG2-CE1 4.09Å; V183-C223 HydrophobicContact CB-CB 3.73Å; V183-C223 HydrophobicContact CG1-CB 4.25Å; V183-C223 HydrophobicContact CG2-CB 3.65Å; V183-C223 VanDerWaalsContact CG2-SG 3.59Å; V183-F227 HydrophobicContact CB-CE2 4.01Å; V183-F227 HydrophobicContact CG1-CE2 4.1Å; V183-I237 PolarHBondContact N-O 3.44Å; V183-I238 HydrophobicContact CG1-CG1 4.09Å; V183-I239 PolarHBondContact O-N 2.66Å
184	S	98.6	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.1	-170.6	-178.8	0	0	0	0	114	S186 T190 V208 G209 I210 I239	S184-S186 PolarHBondContact OG-N 3.39Å; S184-S186 PolarHBondContact OG-O 3.24Å; S184-T190 WeakPolarHBondContact CB-OG1 3.27Å; S184-T190 PolarHBondContact OG-OG1 3.21Å; S184-T190 VanDerWaalsContact OG-OG1 3.1Å; S184-V208 PolarHBondContact N-O 2.82Å; S184-G209 CarbonylContact O-C 3.54Å; S184-G209 VanDerWaalsContact O-CA 3.32Å; S184-G209 WeakPolarHBondContact O-CA 3.19Å; S184-I210 WeakPolarHBondContact O-CG1 3.3Å; S184-I210 PolarHBondContact O-N 3.2Å; S184-I239 WeakPolarHBondContact CA-O 3.41Å; S184-I239 WeakPolarHBondContact OG-CB 3.46Å
185	R	98.3	Very high	97.9	Very high	18 Å²	18	29.1 Å²	29.1	7%	0.068	15%	0.153	C	C	.	.	S	Bend	trans	-79.3	-20	166.3	-72.2	177.6	63.2	-175.5	-6.7	113.3	I210 G211 G212 F220 I239 E241 I242 G243 E247 H283 G285	R185-I210 HydrophobicContact CG-CD1 3.81Å; R185-I210 HydrophobicContact CG-CG1 3.9Å; R185-G211 CarbonylContact O-C 3.56Å; R185-G212 PolarHBondContact O-N 3.15Å; R185-F220 HydrophobicContact CG-CE2 4.11Å; R185-F220 HydrophobicContact CG-CZ 3.71Å; R185-I239 PolarHBondContact N-O 3.31Å; R185-E241 HydrophobicContact CB-CG 4.1Å; R185-E241 IonicContact CZ-OE1 2.9Å; R185-E241 IonicContact NE-OE1 2.75Å; R185-E241 PolarHBondContact NE-OE1 3.26Å; R185-E241 IonicContact NH2-OE1 3.24Å; R185-E241 PolarHBondContact NH2-OE1 3.22Å; R185-I242 PolarHBondContact NH1-O 3.27Å; R185-I242 PolarHBondContact NH2-O 3.34Å; R185-G243 PolarHBondContact NH1-O 3.21Å; R185-E247 WeakPolarHBondContact CD-OE1 3.4Å; R185-E247 IonicContact NH1-OE1 3.4Å; R185-E247 PolarHBondContact NH1-OE1 2.89Å; R185-E247 IonicContact NH1-OE2 3.74Å; R185-H283 PolarHBondContact O-CE1 3.02Å; R185-G285 PolarHBondContact NH2-O 3.15Å
186	S	95.4	Very high	97.9	Very high	11 Å²	11	29.6 Å²	29.6	8%	0.077	16%	0.155	C	C	.	.			trans	-117.9	127.9	-174.8	171.5	0	0	0	0	113.2	S184 T188 L189 T190	S184-S186 PolarHBondContact OG-N 3.39Å; S184-S186 PolarHBondContact OG-O 3.24Å; S186-T188 PolarHBondContact OG-OG1 3.37Å; S186-L189 PolarHBondContact OG-N 2.83Å; S186-T190 PolarHBondContact O-N 3.15Å; S186-T190 VanDerWaalsContact O-N 3.12Å; S186-T190 PolarHBondContact O-OG1 3.17Å
187	G	94.6	Very high	97.9	Very high	14 Å²	14	28 Å²	28	14%	0.144	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-50.7	175.3	0	0	0	0	0	112.9	L189 T190 Y191	G187-L189 PolarHBondContact O-N 3.03Å; G187-T190 WeakPolarHBondContact O-CA 3.47Å; G187-T190 WeakPolarHBondContact O-CB 3.38Å; G187-T190 PolarHBondContact O-N 3.43Å; G187-T190 VanDerWaalsContact O-N 3.09Å; G187-Y191 WeakPolarHBondContact O-CD1 3.38Å; G187-Y191 VanDerWaalsContact O-CE1 3.25Å; G187-Y191 WeakPolarHBondContact O-CE1 3.47Å; G187-Y191 VanDerWaalsContact O-CG 3.29Å; G187-Y191 PolarHBondContact O-N 2.9Å; G187-Y191 VanDerWaalsContact O-N 3.13Å
188	T	96.1	Very high	97.9	Very high	97 Å²	97	23.5 Å²	23.5	60%	0.595	13%	0.13	S	C	*	.	H	α-helix	trans	-64.8	-41.5	-175.9	50.8	0	0	0	0	112.6	S186 T190 Y191 E192	S186-T188 PolarHBondContact OG-OG1 3.37Å; T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 3.35Å; T188-Y191 WeakPolarHBondContact O-CB 3.18Å; T188-Y191 PolarHBondContact O-N 2.94Å; T188-E192 PolarHBondContact O-N 2.89Å; T188-E192 VanDerWaalsContact O-N 3.12Å
189	L	97.3	Very high	97.9	Very high	29 Å²	29	29.1 Å²	29.1	15%	0.152	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-28.6	175.1	-68.7	171.8	0	0	0	112.3	S186 G187 Y191 E192 A193 I239 F269 A271 P313	S186-L189 PolarHBondContact OG-N 2.83Å; G187-L189 PolarHBondContact O-N 3.03Å; L189-Y191 VanDerWaalsContact C-N 3.29Å; L189-Y191 PolarHBondContact O-N 3.41Å; L189-E192 PolarHBondContact O-N 3.14Å; L189-A193 PolarHBondContact O-N 3.39Å; L189-I239 HydrophobicContact CB-CD1 4.24Å; L189-I239 HydrophobicContact CB-CG2 3.61Å; L189-I239 HydrophobicContact CD1-CG2 3.8Å; L189-I239 HydrophobicContact CG-CG2 4.34Å; L189-I239 VanDerWaalsContact O-CD1 3.26Å; L189-I239 WeakPolarHBondContact O-CD1 3.49Å; L189-F269 HydrophobicContact CD1-CD1 4.15Å; L189-F269 HydrophobicContact CD1-CE1 3.88Å; L189-F269 HydrophobicContact CD2-CD1 4.39Å; L189-F269 HydrophobicContact CD2-CE1 4Å; L189-A271 HydrophobicContact CD1-CB 4.03Å; L189-P313 HydrophobicContact CD2-CB 4.05Å
190	T	98.2	Very high	97.8	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-42.7	169.6	-52.8	0	0	0	0	110.3	I182 S184 S186 G187 T188 E192 A193 V194 C207	I182-T190 HydrophobicContact CG2-CG2 4.14Å; S184-T190 WeakPolarHBondContact CB-OG1 3.27Å; S184-T190 PolarHBondContact OG-OG1 3.21Å; S184-T190 VanDerWaalsContact OG-OG1 3.1Å; S186-T190 PolarHBondContact O-N 3.15Å; S186-T190 VanDerWaalsContact O-N 3.12Å; S186-T190 PolarHBondContact O-OG1 3.17Å; G187-T190 WeakPolarHBondContact O-CA 3.47Å; G187-T190 WeakPolarHBondContact O-CB 3.38Å; G187-T190 PolarHBondContact O-N 3.43Å; G187-T190 VanDerWaalsContact O-N 3.09Å; T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 3.35Å; T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.91Å; T190-A193 PolarHBondContact O-N 2.93Å; T190-V194 HydrophobicContact CG2-CG2 4.18Å; T190-V194 WeakPolarHBondContact O-CB 3.37Å; T190-V194 WeakPolarHBondContact O-CG2 3.31Å; T190-V194 PolarHBondContact O-N 3.02Å; T190-C207 HydrophobicContact CG2-CB 4.46Å
191	Y	98	Very high	97.7	Very high	53 Å²	53	33.2 Å²	33.2	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-37.6	-178.1	-50.6	-20.7	0	0	0	111.7	M170 P171 I174 G187 T188 L189 V194 Q195	M170-Y191 WeakPolarHBondContact CA-OH 3.27Å; M170-Y191 HydrophobicContact CB-CD1 4.38Å; M170-Y191 HydrophobicContact CB-CE1 3.47Å; M170-Y191 VanDerWaalsContact CB-CE1 3.47Å; P171-Y191 HydrophobicContact CG-CD1 4.44Å; P171-Y191 HydrophobicContact CG-CD2 4.3Å; P171-Y191 HydrophobicContact CG-CE2 4.46Å; P171-Y191 HydrophobicContact CG-CG 4.31Å; I174-Y191 HydrophobicContact CD1-CD1 4.33Å; I174-Y191 HydrophobicContact CD1-CG 4.2Å; G187-Y191 WeakPolarHBondContact O-CD1 3.38Å; G187-Y191 VanDerWaalsContact O-CE1 3.25Å; G187-Y191 WeakPolarHBondContact O-CE1 3.47Å; G187-Y191 VanDerWaalsContact O-CG 3.29Å; G187-Y191 PolarHBondContact O-N 2.9Å; G187-Y191 VanDerWaalsContact O-N 3.13Å; T188-Y191 WeakPolarHBondContact O-CB 3.18Å; T188-Y191 PolarHBondContact O-N 2.94Å; L189-Y191 VanDerWaalsContact C-N 3.29Å; L189-Y191 PolarHBondContact O-N 3.41Å; Y191-V194 PolarHBondContact O-N 3.15Å; Y191-Q195 WeakPolarHBondContact O-CB 3.21Å; Y191-Q195 PolarHBondContact O-N 3.49Å
192	E	98.1	Very high	97.7	Very high	101 Å²	101	33.6 Å²	33.6	47%	0.472	19%	0.193	S	C	.	.	H	α-helix	trans	-58.3	-50.1	170.2	-71.8	-66.6	163	0	0	111.8	T188 L189 T190 V194 Q195 Q196 M316	T188-E192 PolarHBondContact O-N 2.89Å; T188-E192 VanDerWaalsContact O-N 3.12Å; L189-E192 PolarHBondContact O-N 3.14Å; T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.91Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 2.87Å; E192-Q195 PolarHBondContact O-N 3.03Å; E192-Q196 WeakPolarHBondContact O-CB 3.22Å; E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 3.41Å; E192-Q196 PolarHBondContact O-NE2 3.47Å; E192-M316 HydrophobicContact CB-CE 3.99Å
193	A	98.5	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-39.6	178.7	0	0	0	0	0	112.5	I182 L189 T190 T197 I237 I239 M316	I182-A193 HydrophobicContact CD1-CB 4.14Å; L189-A193 PolarHBondContact O-N 3.39Å; T190-A193 PolarHBondContact O-N 2.93Å; A193-T197 WeakPolarHBondContact O-CB 3.17Å; A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.24Å; A193-T197 PolarHBondContact O-OG1 2.85Å; A193-I237 HydrophobicContact CB-CD1 4.28Å; A193-I237 HydrophobicContact CB-CG2 4.32Å; A193-I239 HydrophobicContact CB-CD1 3.75Å; A193-M316 HydrophobicContact CB-CE 3.71Å; A193-M316 HydrophobicContact CB-SD 4Å
194	V	98.7	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-52.4	175.8	166.2	0	0	0	0	110.1	I174 H175 I182 T190 Y191 E192 Q196 T197 T198 Q204	I174-V194 HydrophobicContact CB-CG1 4.27Å; I174-V194 HydrophobicContact CD1-CB 4.16Å; I174-V194 HydrophobicContact CD1-CG1 3.79Å; I174-V194 HydrophobicContact CG1-CG1 3.74Å; I174-V194 VanDerWaalsContact O-CG1 3.29Å; I174-V194 WeakPolarHBondContact O-CG1 3.45Å; H175-V194 HydrophobicContact CB-CG1 4.37Å; H175-V194 WeakPolarHBondContact NE2-CG2 3.23Å; I182-V194 HydrophobicContact CD1-CG2 3.87Å; T190-V194 HydrophobicContact CG2-CG2 4.18Å; T190-V194 WeakPolarHBondContact O-CB 3.37Å; T190-V194 WeakPolarHBondContact O-CG2 3.31Å; T190-V194 PolarHBondContact O-N 3.02Å; Y191-V194 PolarHBondContact O-N 3.15Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 2.87Å; V194-Q196 PolarHBondContact O-N 2.98Å; V194-T197 PolarHBondContact O-N 3.1Å; V194-T197 PolarHBondContact O-OG1 2.9Å; V194-T198 WeakPolarHBondContact O-CB 3.42Å; V194-T198 PolarHBondContact O-N 3.32Å; V194-T198 PolarHBondContact O-OG1 3.37Å; V194-Q204 HydrophobicContact CG2-CG 4.23Å; V194-Q204 PolarHBondContact O-NE2 3.46Å
195	Q	98.2	Very high	97.6	Very high	69 Å²	69	34 Å²	34	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-50.1	179.5	-175	63.6	24.5	0	0	111.1	Y191 E192 T197 T198 E199	Y191-Q195 WeakPolarHBondContact O-CB 3.21Å; Y191-Q195 PolarHBondContact O-N 3.49Å; E192-Q195 PolarHBondContact O-N 3.03Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 2.87Å; Q195-T198 PolarHBondContact O-N 3.2Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.2Å; Q195-E199 PolarHBondContact NE2-OE1 3.26Å; Q195-E199 WeakPolarHBondContact O-CB 3.2Å; Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.18Å
196	Q	98.5	Very high	97.7	Very high	24 Å²	24	33.4 Å²	33.4	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-33.8	-178.5	-66.2	169.3	36.1	0	0	113.1	E192 V194 A200 P313 A314	E192-Q196 WeakPolarHBondContact O-CB 3.22Å; E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 3.41Å; E192-Q196 PolarHBondContact O-NE2 3.47Å; V194-Q196 PolarHBondContact O-N 2.98Å; Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.37Å; Q196-A200 VanDerWaalsContact O-N 3.14Å; Q196-P313 PolarHBondContact NE2-O 2.91Å; Q196-A314 PolarHBondContact OE1-O 2.84Å
197	T	98.5	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-79.5	-31.2	177.3	49.2	0	0	0	0	112.8	I180 A193 V194 Q195 G201 L202 G203 Q204 I237 I320	I180-T197 HydrophobicContact CG1-CG2 4.23Å; I180-T197 HydrophobicContact CG2-CG2 4.33Å; A193-T197 WeakPolarHBondContact O-CB 3.17Å; A193-T197 WeakPolarHBondContact O-CG2 3.45Å; A193-T197 PolarHBondContact O-N 3.24Å; A193-T197 PolarHBondContact O-OG1 2.85Å; V194-T197 PolarHBondContact O-N 3.1Å; V194-T197 PolarHBondContact O-OG1 2.9Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 2.87Å; T197-G201 PolarHBondContact O-N 3.32Å; T197-L202 PolarHBondContact O-N 3.29Å; T197-G203 PolarHBondContact O-N 3.38Å; T197-Q204 PolarHBondContact OG1-NE2 2.82Å; T197-I237 HydrophobicContact CG2-CD1 3.57Å; T197-I320 HydrophobicContact CG2-CG2 3.83Å
198	T	98.2	Very high	98	Very high	44 Å²	44	32.4 Å²	32.4	27%	0.27	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-47.5	170.2	-62	0	0	0	0	110.4	I174 A176 V194 Q195 A200 G201 Q204	I174-T198 PolarHBondContact O-OG1 3.48Å; I174-T198 VanDerWaalsContact O-OG1 3.08Å; A176-T198 HydrophobicContact CB-CG2 3.95Å; V194-T198 WeakPolarHBondContact O-CB 3.42Å; V194-T198 PolarHBondContact O-N 3.32Å; V194-T198 PolarHBondContact O-OG1 3.37Å; Q195-T198 PolarHBondContact O-N 3.2Å; T198-A200 VanDerWaalsContact C-N 3.29Å; T198-A200 PolarHBondContact O-N 3.02Å; T198-G201 PolarHBondContact O-N 3.41Å; T198-Q204 PolarHBondContact OG1-NE2 2.91Å
199	E	97	Very high	98.1	Very high	138 Å²	138	27.9 Å²	27.9	65%	0.645	16%	0.158	S	C	*	.	H	α-helix	trans	-62.7	-33.5	177.2	-73.1	173.4	179.4	0	0	113	Q195 G201	Q195-E199 WeakPolarHBondContact CG-OE1 3.2Å; Q195-E199 PolarHBondContact NE2-OE1 3.26Å; Q195-E199 WeakPolarHBondContact O-CB 3.2Å; Q195-E199 WeakPolarHBondContact O-CG 3.44Å; Q195-E199 PolarHBondContact O-N 3.18Å; E199-G201 PolarHBondContact O-N 3.1Å
200	A	96.5	Very high	98.2	Very high	31 Å²	31	26.6 Å²	26.6	26%	0.256	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.5	174.2	0	0	0	0	0	114.1	Q196 T198 L202 A321 Y325	Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.37Å; Q196-A200 VanDerWaalsContact O-N 3.14Å; T198-A200 VanDerWaalsContact C-N 3.29Å; T198-A200 PolarHBondContact O-N 3.02Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 HydrophobicContact CB-CD1 4.2Å; A200-L202 HydrophobicContact CB-CG 4.28Å; A200-L202 PolarHBondContact O-N 3.33Å; A200-A321 HydrophobicContact CB-CB 4.06Å; A200-Y325 PolarHBondContact O-OH 3.25Å
201	G	96.6	Very high	98.2	Very high	63 Å²	63	26.3 Å²	26.3	65%	0.649	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	15.2	-180	0	0	0	0	0	114.8	T197 T198 E199	T197-G201 PolarHBondContact O-N 3.32Å; T198-G201 PolarHBondContact O-N 3.41Å; E199-G201 PolarHBondContact O-N 3.1Å
202	L	97.9	Very high	98.2	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.042	14%	0.139	C	C	.	.			trans	-93.9	-32.9	-175.6	-63.2	170.1	0	0	0	113.4	G178 C179 I180 T197 A200 I320 A321 V324 Y325	G178-L202 CarbonylContact C-O 3.57Å; G178-L202 WeakPolarHBondContact CA-O 3.22Å; C179-L202 PolarHBondContact N-O 2.93Å; I180-L202 HydrophobicContact CD1-CB 4.3Å; I180-L202 HydrophobicContact CD1-CD1 4.14Å; I180-L202 HydrophobicContact CG1-CB 3.79Å; I180-L202 HydrophobicContact CG1-CD1 4.14Å; T197-L202 PolarHBondContact O-N 3.29Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 HydrophobicContact CB-CD1 4.2Å; A200-L202 HydrophobicContact CB-CG 4.28Å; A200-L202 PolarHBondContact O-N 3.33Å; L202-I320 HydrophobicContact CD1-CG2 3.86Å; L202-A321 HydrophobicContact CD1-CB 3.84Å; L202-V324 HydrophobicContact CD2-CB 4.42Å; L202-V324 HydrophobicContact CD2-CG1 4.09Å; L202-Y325 HydrophobicContact CD2-CE1 4.02Å; L202-Y325 HydrophobicContact CD2-CE2 4.15Å
203	G	98.3	Very high	98.1	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	12%	0.119	C	C	.	.			trans	56.4	-169.8	-172.4	0	0	0	0	0	113.5	A176 I180 T197	A176-G203 CarbonylContact O-C 3.35Å; A176-G203 WeakPolarHBondContact O-CA 3.44Å; I180-G203 WeakPolarHBondContact CB-O 3.3Å; I180-G203 WeakPolarHBondContact CG1-O 3.47Å; I180-G203 PolarHBondContact N-O 3.34Å; T197-G203 PolarHBondContact O-N 3.38Å
204	Q	98.8	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.4	-178	-48.1	79.5	38.2	0	0	111.7	P162 A176 G178 I180 I182 V194 T197 T198	P162-Q204 HydrophobicContact CG-CB 4.03Å; P162-Q204 WeakPolarHBondContact CG-O 3.15Å; A176-Q204 VanDerWaalsContact N-OE1 3.12Å; A176-Q204 PolarHBondContact O-N 2.84Å; A176-Q204 PolarHBondContact O-OE1 3.16Å; G178-Q204 PolarHBondContact N-O 3.04Å; G178-Q204 CarbonylContact O-C 3.6Å; I180-Q204 CarbonylContact O-C 3.56Å; I180-Q204 WeakPolarHBondContact O-CA 3.36Å; I182-Q204 HydrophobicContact CD1-CG 3.72Å; I182-Q204 HydrophobicContact CG1-CG 4.41Å; V194-Q204 HydrophobicContact CG2-CG 4.23Å; V194-Q204 PolarHBondContact O-NE2 3.46Å; T197-Q204 PolarHBondContact OG1-NE2 2.82Å; T198-Q204 PolarHBondContact OG1-NE2 2.91Å
205	S	98.6	Very high	97.9	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-46.5	176.7	54.6	0	0	0	0	111.1	G178 I180 G181 T233	G178-S205 WeakPolarHBondContact O-CA 3.47Å; G178-S205 WeakPolarHBondContact O-CB 3.46Å; G178-S205 PolarHBondContact O-N 3.42Å; I180-S205 VanDerWaalsContact C-OG 3.27Å; I180-S205 PolarHBondContact O-N 2.91Å; I180-S205 PolarHBondContact O-OG 3.27Å; G181-S205 WeakPolarHBondContact CA-OG 3.36Å; G181-S205 PolarHBondContact N-OG 2.85Å; S205-T233 PolarHBondContact OG-OG1 2.94Å
206	L	98.8	Very high	97.8	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	134.5	174.7	178	74.2	0	0	0	108.7	I36 I159 R161 G181 I182 V208 L226 F227	I36-L206 HydrophobicContact CG1-CD1 4.09Å; I159-L206 HydrophobicContact CD1-CD1 4.07Å; I159-L206 HydrophobicContact CD1-CD2 4.5Å; I159-L206 HydrophobicContact CG1-CD1 3.92Å; R161-L206 HydrophobicContact CB-CD1 4.06Å; G181-L206 WeakPolarHBondContact CA-O 3.34Å; I182-L206 PolarHBondContact N-O 3.09Å; L206-V208 HydrophobicContact CD2-CG2 3.98Å; L206-V208 HydrophobicContact CG-CG2 4.04Å; L206-L226 HydrophobicContact CD2-CD2 3.6Å; L206-F227 HydrophobicContact CB-CE1 4.04Å; L206-F227 HydrophobicContact CD2-CE1 4.07Å; L206-F227 HydrophobicContact CG-CE1 4.33Å
207	C	98.9	Very high	97.8	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.6	173.7	-56.2	0	0	0	0	110	I159 I160 I182 T190	I159-C207 WeakPolarHBondContact CA-O 3.26Å; I160-C207 HydrophobicContact CG2-CB 3.69Å; I160-C207 PolarHBondContact N-O 2.78Å; I160-C207 PolarHBondContact O-N 3.38Å; I182-C207 HydrophobicContact CB-CB 4.28Å; I182-C207 CarbonylContact O-C 3.49Å; I182-C207 WeakPolarHBondContact O-CA 3.39Å; T190-C207 HydrophobicContact CG2-CB 4.46Å
208	V	98.9	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.5	178.9	-168.4	0	0	0	0	109.6	V152 I159 I182 V183 S184 L206 I210	V152-V208 HydrophobicContact CG1-CG1 4.12Å; V152-V208 HydrophobicContact CG2-CG1 4.39Å; I159-V208 HydrophobicContact CD1-CG1 4.41Å; I159-V208 HydrophobicContact CD1-CG2 3.82Å; I159-V208 HydrophobicContact CG1-CG2 4.05Å; I182-V208 PolarHBondContact O-N 2.95Å; V183-V208 WeakPolarHBondContact CA-O 3.32Å; S184-V208 PolarHBondContact N-O 2.82Å; L206-V208 HydrophobicContact CD2-CG2 3.98Å; L206-V208 HydrophobicContact CG-CG2 4.04Å; V208-I210 HydrophobicContact CG1-CG2 4.11Å; V208-I210 PolarHBondContact O-N 2.79Å
209	G	98.7	Very high	97.8	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	107.2	166	0	0	0	0	0	109.7	V152 C156 G158 S184 G211	V152-G209 VanDerWaalsContact CG1-O 3.25Å; V152-G209 WeakPolarHBondContact CG1-O 3.34Å; C156-G209 VanDerWaalsContact CB-O 3.26Å; C156-G209 WeakPolarHBondContact CB-O 3.36Å; G158-G209 PolarHBondContact O-N 2.82Å; S184-G209 CarbonylContact O-C 3.54Å; S184-G209 VanDerWaalsContact O-CA 3.32Å; S184-G209 WeakPolarHBondContact O-CA 3.19Å; G209-G211 VanDerWaalsContact C-N 3.31Å
210	I	98.6	Very high	97.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	10%	0.1	C	C	.	.			trans	-79.2	-16.9	-178.4	58.1	167.1	0	0	0	113.3	V183 S184 R185 V208 N216 T218 F220	V183-I210 HydrophobicContact CG2-CD1 4.45Å; V183-I210 HydrophobicContact CG2-CG1 4.48Å; V183-I210 HydrophobicContact CG2-CG2 3.79Å; S184-I210 WeakPolarHBondContact O-CG1 3.3Å; S184-I210 PolarHBondContact O-N 3.2Å; R185-I210 HydrophobicContact CG-CD1 3.81Å; R185-I210 HydrophobicContact CG-CG1 3.9Å; V208-I210 HydrophobicContact CG1-CG2 4.11Å; V208-I210 PolarHBondContact O-N 2.79Å; I210-N216 PolarHBondContact O-ND2 2.8Å; I210-T218 WeakPolarHBondContact CB-O 3.46Å; I210-T218 HydrophobicContact CG2-CG2 3.88Å; I210-F220 HydrophobicContact CD1-CD1 4.07Å; I210-F220 HydrophobicContact CD1-CD2 4.14Å; I210-F220 HydrophobicContact CD1-CE1 3.94Å; I210-F220 HydrophobicContact CD1-CE2 3.99Å; I210-F220 HydrophobicContact CD1-CG 4.17Å; I210-F220 HydrophobicContact CD1-CZ 3.91Å
211	G	97.9	Very high	98	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.093	C	C	.	.			trans	96.7	164.8	172.4	0	0	0	0	0	115.6	N155 R185 G209	N155-G211 CarbonylContact O-C 3.54Å; N155-G211 WeakPolarHBondContact O-CA 3.37Å; R185-G211 CarbonylContact O-C 3.56Å; G209-G211 VanDerWaalsContact C-N 3.31Å
212	G	97.2	Very high	98.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-90.8	-0.9	-174.3	0	0	0	0	0	115.2	N155 R185 G285	N155-G212 PolarHBondContact O-N 3.41Å; R185-G212 PolarHBondContact O-N 3.15Å; G212-G285 WeakPolarHBondContact O-CA 3.16Å; G212-G285 PolarHBondContact O-N 3.47Å
213	D	97.3	Very high	98.1	Very high	10 Å²	10	11.1 Å²	11.1	5%	0.053	6%	0.063	C	C	.	.	S	Bend	trans	-85.3	146.6	-177.8	-81.5	6.3	0	0	0	112.6	P154 N155 F215	P154-D213 HydrophobicContact CG-CB 4.21Å; P154-D213 WeakPolarHBondContact CG-OD2 3.29Å; N155-D213 HydrophobicContact CB-CB 4.21Å; N155-D213 VanDerWaalsContact CB-CG 3.42Å; N155-D213 VanDerWaalsContact CB-OD1 3.28Å; N155-D213 WeakPolarHBondContact CB-OD1 3.35Å; N155-D213 PolarHBondContact ND2-OD1 3.47Å; D213-F215 VanDerWaalsContact C-N 3.27Å; D213-F215 PolarHBondContact O-N 3.26Å
214	P	94.8	Very high	98.1	Very high	54 Å²	54	11 Å²	11	35%	0.351	6%	0.061	S	C	.	.	S	Bend	trans	-70.8	-19.3	-176.2	27.6	-34.1	0	0	0	114.1	Q133	Q133-P214 HydrophobicContact CG-CG 4.07Å
215	F	97.1	Very high	98.1	Very high	75 Å²	75	11.2 Å²	11.2	33%	0.329	6%	0.062	S	C	.	.	S	Bend	trans	-127	93.5	178.3	-57.1	-77.6	0	0	0	109.4	Q133 M136 V137 D213	Q133-F215 HydrophobicContact CB-CD2 4.12Å; Q133-F215 HydrophobicContact CB-CE2 4.2Å; M136-F215 HydrophobicContact CB-CB 3.91Å; M136-F215 WeakPolarHBondContact CE-O 3.33Å; V137-F215 HydrophobicContact CG2-CD1 3.97Å; V137-F215 HydrophobicContact CG2-CD2 3.95Å; V137-F215 HydrophobicContact CG2-CE1 3.95Å; V137-F215 HydrophobicContact CG2-CE2 3.94Å; V137-F215 HydrophobicContact CG2-CG 3.97Å; V137-F215 HydrophobicContact CG2-CZ 3.94Å; D213-F215 VanDerWaalsContact C-N 3.27Å; D213-F215 PolarHBondContact O-N 3.26Å
216	N	97.2	Very high	98.1	Very high	12 Å²	12	11.4 Å²	11.4	6%	0.064	6%	0.063	C	C	.	.			trans	-116.1	171.2	178.7	58.2	19.3	0	0	0	111.6	K140 G153 I210 T218	K140-N216 PolarHBondContact NZ-O 2.87Å; G153-N216 VanDerWaalsContact O-CA 3.28Å; G153-N216 WeakPolarHBondContact O-CA 3.49Å; G153-N216 VanDerWaalsContact O-CB 3.22Å; G153-N216 WeakPolarHBondContact O-CB 3.22Å; I210-N216 PolarHBondContact O-ND2 2.8Å; N216-T218 PolarHBondContact OD1-O 3.31Å
217	G	98	Very high	98.1	Very high	4 Å²	4	11.1 Å²	11.1	4%	0.041	6%	0.061	C	C	.	.	S	Bend	trans	-91.7	-10.7	-177.5	0	0	0	0	0	116	Y27 R150 L151 G153	Y27-G217 VanDerWaalsContact CE1-O 3.23Å; Y27-G217 WeakPolarHBondContact CE1-O 3.35Å; Y27-G217 PolarHBondContact OH-O 3.25Å; R150-G217 PolarHBondContact NH1-O 3.1Å; L151-G217 CarbonylContact O-C 3.54Å; L151-G217 WeakPolarHBondContact O-CA 3.33Å; L151-G217 VanDerWaalsContact O-O 3.13Å; G153-G217 PolarHBondContact O-N 2.8Å
218	T	98.7	Very high	98	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.068	C	C	.	.			trans	-140.6	135.4	179.3	-63.3	0	0	0	0	108.1	L34 R150 L151 I210 N216 D222	L34-T218 HydrophobicContact CD1-CG2 3.97Å; L34-T218 HydrophobicContact CD2-CG2 4.33Å; R150-T218 WeakPolarHBondContact CD-OG1 3.47Å; L151-T218 WeakPolarHBondContact O-CB 3.29Å; L151-T218 PolarHBondContact O-N 3.04Å; L151-T218 PolarHBondContact O-OG1 2.97Å; I210-T218 WeakPolarHBondContact CB-O 3.46Å; I210-T218 HydrophobicContact CG2-CG2 3.88Å; N216-T218 PolarHBondContact OD1-O 3.31Å; T218-D222 WeakPolarHBondContact CA-OD2 3.49Å; T218-D222 HydrophobicContact CG2-CB 3.77Å
219	N	98.2	Very high	97.9	Very high	30 Å²	30	20.3 Å²	20.3	16%	0.16	10%	0.098	C	C	.	.			trans	-118.3	-175.3	177.4	68.7	13.7	0	0	0	112.6	V221 D222 C223 E246	N219-V221 PolarHBondContact O-N 2.92Å; N219-V221 PolarHBondContact OD1-N 3.33Å; N219-V221 VanDerWaalsContact OD1-N 3.15Å; N219-D222 PolarHBondContact N-OD2 3.24Å; N219-D222 PolarHBondContact O-N 3.11Å; N219-D222 VanDerWaalsContact OD1-CG 3.27Å; N219-D222 PolarHBondContact OD1-N 3.43Å; N219-D222 PolarHBondContact OD1-OD2 3.08Å; N219-C223 PolarHBondContact O-N 3.02Å; N219-E246 WeakPolarHBondContact CB-OE2 3.38Å; N219-E246 PolarHBondContact ND2-OE2 2.85Å
220	F	98.6	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-44.4	178.6	-69.6	-65.4	0	0	0	112.7	V183 R185 I210 D222 C223 I224 I238 E246 E247 A250	V183-F220 HydrophobicContact CB-CD1 4.31Å; V183-F220 HydrophobicContact CG1-CD1 3.76Å; V183-F220 HydrophobicContact CG1-CE1 4.33Å; V183-F220 HydrophobicContact CG2-CD1 3.66Å; V183-F220 HydrophobicContact CG2-CE1 4.09Å; R185-F220 HydrophobicContact CG-CE2 4.11Å; R185-F220 HydrophobicContact CG-CZ 3.71Å; I210-F220 HydrophobicContact CD1-CD1 4.07Å; I210-F220 HydrophobicContact CD1-CD2 4.14Å; I210-F220 HydrophobicContact CD1-CE1 3.94Å; I210-F220 HydrophobicContact CD1-CE2 3.99Å; I210-F220 HydrophobicContact CD1-CG 4.17Å; I210-F220 HydrophobicContact CD1-CZ 3.91Å; F220-D222 VanDerWaalsContact C-N 3.31Å; F220-D222 PolarHBondContact O-N 2.96Å; F220-C223 PolarHBondContact O-N 2.99Å; F220-I224 HydrophobicContact CB-CD1 4.2Å; F220-I224 WeakPolarHBondContact O-CB 3.43Å; F220-I224 WeakPolarHBondContact O-CD1 3.37Å; F220-I224 WeakPolarHBondContact O-CG1 3.3Å; F220-I224 PolarHBondContact O-N 3.34Å; F220-I238 HydrophobicContact CD1-CG2 3.75Å; F220-I238 HydrophobicContact CE1-CG2 3.7Å; F220-I238 HydrophobicContact CG-CG2 4.45Å; F220-I238 HydrophobicContact CZ-CG2 4.37Å; F220-E246 HydrophobicContact CD2-CB 3.86Å; F220-E246 HydrophobicContact CE2-CB 4.31Å; F220-E247 HydrophobicContact CD2-CG 4.23Å; F220-E247 HydrophobicContact CE2-CG 3.67Å; F220-E247 WeakPolarHBondContact CE2-OE1 3.19Å; F220-E247 HydrophobicContact CZ-CG 4.24Å; F220-A250 HydrophobicContact CB-CB 3.71Å; F220-A250 HydrophobicContact CG-CB 4.45Å
221	V	98.5	Very high	97.7	Very high	18 Å²	18	28.9 Å²	28.9	11%	0.109	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-42.8	-179.7	173.5	0	0	0	0	110.9	N219 C223 I224 D225 K249 F253	N219-V221 PolarHBondContact O-N 2.92Å; N219-V221 PolarHBondContact OD1-N 3.33Å; N219-V221 VanDerWaalsContact OD1-N 3.15Å; V221-C223 VanDerWaalsContact C-N 3.29Å; V221-C223 PolarHBondContact O-N 2.72Å; V221-I224 PolarHBondContact O-N 3.29Å; V221-D225 VanDerWaalsContact O-CB 3.23Å; V221-D225 WeakPolarHBondContact O-CB 3.43Å; V221-D225 PolarHBondContact O-N 3.23Å; V221-K249 HydrophobicContact CG2-CB 4.46Å; V221-F253 HydrophobicContact CB-CG 4.5Å; V221-F253 HydrophobicContact CG1-CB 4.31Å; V221-F253 HydrophobicContact CG1-CD1 4.23Å; V221-F253 HydrophobicContact CG1-CD2 3.51Å; V221-F253 HydrophobicContact CG1-CE1 4.47Å; V221-F253 HydrophobicContact CG1-CE2 3.79Å; V221-F253 HydrophobicContact CG1-CG 3.75Å; V221-F253 HydrophobicContact CG1-CZ 4.27Å; V221-F253 HydrophobicContact CG2-CB 3.89Å; V221-F253 HydrophobicContact CG2-CG 4.21Å
222	D	98.5	Very high	97.6	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-42.6	177.4	-68.7	-42.2	0	0	0	112.5	R31 R150 T218 N219 F220 L226	R31-D222 HydrophobicContact CG-CB 4.05Å; R31-D222 IonicContact CZ-OD1 3.59Å; R31-D222 IonicContact NE-OD1 2.7Å; R31-D222 PolarHBondContact NE-OD1 3.14Å; R31-D222 IonicContact NH2-OD1 3.51Å; R31-D222 PolarHBondContact NH2-OD1 3.47Å; R150-D222 IonicContact CZ-OD2 3.5Å; R150-D222 VanDerWaalsContact NH1-CG 3.25Å; R150-D222 IonicContact NH1-OD1 2.85Å; R150-D222 IonicContact NH1-OD2 3.57Å; R150-D222 PolarHBondContact NH1-OD2 3.07Å; R150-D222 IonicContact NH2-OD1 3.36Å; T218-D222 WeakPolarHBondContact CA-OD2 3.49Å; T218-D222 HydrophobicContact CG2-CB 3.77Å; N219-D222 PolarHBondContact N-OD2 3.24Å; N219-D222 PolarHBondContact O-N 3.11Å; N219-D222 VanDerWaalsContact OD1-CG 3.27Å; N219-D222 PolarHBondContact OD1-N 3.43Å; N219-D222 PolarHBondContact OD1-OD2 3.08Å; F220-D222 VanDerWaalsContact C-N 3.31Å; F220-D222 PolarHBondContact O-N 2.96Å; D222-L226 PolarHBondContact O-N 3.27Å
223	C	98.8	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-77	-41.5	178.6	-61.4	0	0	0	0	112.5	V183 N219 F220 V221 L226 F227	V183-C223 HydrophobicContact CB-CB 3.73Å; V183-C223 HydrophobicContact CG1-CB 4.25Å; V183-C223 HydrophobicContact CG2-CB 3.65Å; V183-C223 VanDerWaalsContact CG2-SG 3.59Å; N219-C223 PolarHBondContact O-N 3.02Å; F220-C223 PolarHBondContact O-N 2.99Å; V221-C223 VanDerWaalsContact C-N 3.29Å; V221-C223 PolarHBondContact O-N 2.72Å; C223-L226 VanDerWaalsContact O-CB 3.27Å; C223-L226 WeakPolarHBondContact O-CB 3.12Å; C223-L226 PolarHBondContact O-N 3.43Å; C223-L226 VanDerWaalsContact O-N 3.15Å; C223-F227 HydrophobicContact CB-CD2 4.43Å; C223-F227 HydrophobicContact CB-CE2 3.9Å; C223-F227 HydrophobicContact CB-CZ 4.22Å; C223-F227 WeakPolarHBondContact O-CD2 3.42Å; C223-F227 WeakPolarHBondContact O-CG 3.29Å; C223-F227 PolarHBondContact O-N 3.16Å
224	I	98.7	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-46	179.2	-68.1	162.9	0	0	0	109.8	F220 V221 L226 F227 L228 I238 A250 F253 L254	F220-I224 HydrophobicContact CB-CD1 4.2Å; F220-I224 WeakPolarHBondContact O-CB 3.43Å; F220-I224 WeakPolarHBondContact O-CD1 3.37Å; F220-I224 WeakPolarHBondContact O-CG1 3.3Å; F220-I224 PolarHBondContact O-N 3.34Å; V221-I224 PolarHBondContact O-N 3.29Å; I224-L226 PolarHBondContact O-N 3.43Å; I224-F227 PolarHBondContact O-N 3.2Å; I224-F227 VanDerWaalsContact O-N 3.1Å; I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.07Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 2.97Å; I224-I238 HydrophobicContact CD1-CD1 3.61Å; I224-I238 HydrophobicContact CD1-CG1 4.33Å; I224-I238 HydrophobicContact CG1-CD1 4.28Å; I224-A250 HydrophobicContact CD1-CB 3.76Å; I224-F253 HydrophobicContact CB-CD1 4.44Å; I224-F253 HydrophobicContact CG2-CD1 3.88Å; I224-F253 HydrophobicContact CG2-CE1 3.97Å; I224-L254 HydrophobicContact CD1-CD1 4.37Å; I224-L254 HydrophobicContact CD1-CG 4.4Å; I224-L254 HydrophobicContact CG2-CD2 3.57Å; I224-L254 HydrophobicContact CG2-CG 4.2Å
225	D	98.2	Very high	97.9	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-54.7	-40.1	174.7	-174.1	44.7	0	0	0	111.7	R31 V221 R229 F253	R31-D225 WeakPolarHBondContact CD-OD2 3.41Å; R31-D225 IonicContact CZ-OD2 3.94Å; R31-D225 IonicContact NE-OD2 3.29Å; R31-D225 IonicContact NH1-OD2 3.89Å; R31-D225 PolarHBondContact NH1-OD2 2.95Å; V221-D225 VanDerWaalsContact O-CB 3.23Å; V221-D225 WeakPolarHBondContact O-CB 3.43Å; V221-D225 PolarHBondContact O-N 3.23Å; D225-R229 VanDerWaalsContact CG-CZ 3.41Å; D225-R229 VanDerWaalsContact CG-NH1 3.33Å; D225-R229 WeakPolarHBondContact O-CG 3.29Å; D225-R229 PolarHBondContact O-N 2.97Å; D225-R229 IonicContact OD1-CZ 2.75Å; D225-R229 IonicContact OD1-NE 3.65Å; D225-R229 PolarHBondContact OD1-NE 3.43Å; D225-R229 IonicContact OD1-NH1 3.05Å; D225-R229 PolarHBondContact OD1-NH1 2.94Å; D225-R229 IonicContact OD1-NH2 3.42Å; D225-R229 PolarHBondContact OD1-NH2 3.46Å; D225-R229 IonicContact OD2-CZ 3.53Å; D225-R229 VanDerWaalsContact OD2-CZ 3.24Å; D225-R229 IonicContact OD2-NH1 3.32Å; D225-R229 PolarHBondContact OD2-NH1 3.45Å; D225-R229 IonicContact OD2-NH2 2.61Å; D225-R229 PolarHBondContact OD2-NH2 3.3Å; D225-F253 HydrophobicContact CB-CE1 4.09Å; D225-F253 HydrophobicContact CB-CZ 3.75Å
226	L	98	Very high	97.9	Very high	7 Å²	7	30 Å²	30	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-48.1	175.5	-161.5	77.2	0	0	0	112.5	L34 R35 L206 D222 C223 I224 R229 D230	L34-L226 HydrophobicContact CB-CD2 3.7Å; L34-L226 HydrophobicContact CD1-CD2 4.45Å; R35-L226 HydrophobicContact CG-CD1 3.72Å; R35-L226 HydrophobicContact CG-CD2 3.95Å; R35-L226 HydrophobicContact CG-CG 4.1Å; R35-L226 VanDerWaalsContact NE-CD1 3.3Å; L206-L226 HydrophobicContact CD2-CD2 3.6Å; D222-L226 PolarHBondContact O-N 3.27Å; C223-L226 VanDerWaalsContact O-CB 3.27Å; C223-L226 WeakPolarHBondContact O-CB 3.12Å; C223-L226 PolarHBondContact O-N 3.43Å; C223-L226 VanDerWaalsContact O-N 3.15Å; I224-L226 PolarHBondContact O-N 3.43Å; L226-R229 CarbonylContact O-C 3.54Å; L226-R229 PolarHBondContact O-N 3.39Å; L226-D230 PolarHBondContact O-N 3.32Å
227	F	98.6	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-39.4	-177.5	-65.5	-31.3	0	0	0	112.2	V183 L206 C223 I224 R229 D230 T233 I236 K264	V183-F227 HydrophobicContact CB-CE2 4.01Å; V183-F227 HydrophobicContact CG1-CE2 4.1Å; L206-F227 HydrophobicContact CB-CE1 4.04Å; L206-F227 HydrophobicContact CD2-CE1 4.07Å; L206-F227 HydrophobicContact CG-CE1 4.33Å; C223-F227 HydrophobicContact CB-CD2 4.43Å; C223-F227 HydrophobicContact CB-CE2 3.9Å; C223-F227 HydrophobicContact CB-CZ 4.22Å; C223-F227 WeakPolarHBondContact O-CD2 3.42Å; C223-F227 WeakPolarHBondContact O-CG 3.29Å; C223-F227 PolarHBondContact O-N 3.16Å; I224-F227 PolarHBondContact O-N 3.2Å; I224-F227 VanDerWaalsContact O-N 3.1Å; F227-R229 PolarHBondContact O-N 3.29Å; F227-D230 PolarHBondContact O-N 2.97Å; F227-T233 HydrophobicContact CB-CG2 3.96Å; F227-T233 HydrophobicContact CD1-CG2 4.44Å; F227-T233 HydrophobicContact CG-CG2 4.34Å; F227-I236 HydrophobicContact CB-CD1 3.56Å; F227-I236 HydrophobicContact CB-CG1 3.84Å; F227-I236 HydrophobicContact CD2-CD1 4.25Å; F227-I236 HydrophobicContact CD2-CG1 4.13Å; F227-I236 HydrophobicContact CD2-CG2 3.81Å; F227-I236 HydrophobicContact CE2-CG2 4.3Å; F227-I236 HydrophobicContact CG-CD1 4.39Å; F227-I236 HydrophobicContact CG-CG1 4.32Å; F227-K264 PolarHBondContact O-NZ 2.75Å
228	L	98	Very high	98	Very high	32 Å²	32	29.2 Å²	29.2	17%	0.168	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-35.3	175.8	-67.3	-177.8	0	0	0	111.1	I224 I236 F253 H257 N258 K264	I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.07Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.42Å; I224-L228 PolarHBondContact O-N 2.97Å; L228-I236 HydrophobicContact CD2-CD1 3.9Å; L228-I236 HydrophobicContact CG-CD1 4.41Å; L228-F253 HydrophobicContact CD1-CE1 4.08Å; L228-H257 HydrophobicContact CD1-CB 4.08Å; L228-N258 HydrophobicContact CD1-CB 4.12Å; L228-N258 HydrophobicContact CD2-CB 4.07Å; L228-N258 VanDerWaalsContact CD2-OD1 3.23Å; L228-N258 WeakPolarHBondContact CD2-OD1 3.45Å; L228-K264 HydrophobicContact CD2-CB 4.3Å; L228-K264 HydrophobicContact CD2-CD 4.25Å; L228-K264 HydrophobicContact CD2-CG 4.31Å; L228-K264 VanDerWaalsContact O-CE 3.29Å; L228-K264 WeakPolarHBondContact O-CE 3.41Å; L228-K264 PolarHBondContact O-NZ 3.01Å; L228-K264 VanDerWaalsContact O-NZ 3.07Å
229	R	96.2	Very high	98.1	Very high	165 Å²	165	29.2 Å²	29.2	62%	0.623	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.3	178	-62.9	175.4	-175.6	149.9	6.1	115.1	D225 L226 F227	D225-R229 VanDerWaalsContact CG-CZ 3.41Å; D225-R229 VanDerWaalsContact CG-NH1 3.33Å; D225-R229 WeakPolarHBondContact O-CG 3.29Å; D225-R229 PolarHBondContact O-N 2.97Å; D225-R229 IonicContact OD1-CZ 2.75Å; D225-R229 IonicContact OD1-NE 3.65Å; D225-R229 PolarHBondContact OD1-NE 3.43Å; D225-R229 IonicContact OD1-NH1 3.05Å; D225-R229 PolarHBondContact OD1-NH1 2.94Å; D225-R229 IonicContact OD1-NH2 3.42Å; D225-R229 PolarHBondContact OD1-NH2 3.46Å; D225-R229 IonicContact OD2-CZ 3.53Å; D225-R229 VanDerWaalsContact OD2-CZ 3.24Å; D225-R229 IonicContact OD2-NH1 3.32Å; D225-R229 PolarHBondContact OD2-NH1 3.45Å; D225-R229 IonicContact OD2-NH2 2.61Å; D225-R229 PolarHBondContact OD2-NH2 3.3Å; L226-R229 CarbonylContact O-C 3.54Å; L226-R229 PolarHBondContact O-N 3.39Å; F227-R229 PolarHBondContact O-N 3.29Å
230	D	97	Very high	98	Very high	19 Å²	19	27.8 Å²	27.8	10%	0.102	12%	0.122	C	C	.	.			trans	-91.7	120	178.7	-174.2	9	0	0	0	110.7	L226 F227 E232 T233 K264	L226-D230 PolarHBondContact O-N 3.32Å; F227-D230 PolarHBondContact O-N 2.97Å; D230-E232 VanDerWaalsContact C-N 3.28Å; D230-E232 PolarHBondContact O-N 3.5Å; D230-E232 PolarHBondContact OD1-N 2.87Å; D230-E232 VanDerWaalsContact OD1-N 3.11Å; D230-T233 PolarHBondContact O-N 2.85Å; D230-T233 PolarHBondContact OD2-OG1 3.35Å; D230-K264 PolarHBondContact O-NZ 3.13Å
231	H	96.1	Very high	98	Very high	164 Å²	164	28.4 Å²	28.4	76%	0.759	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.7	-179.8	68.7	-75.5	0	0	0	112.8	T233	H231-T233 VanDerWaalsContact C-N 3.34Å
232	E	96.3	Very high	97.8	Very high	51 Å²	51	27.7 Å²	27.7	24%	0.238	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-23	175.5	-65.3	-168.8	85.6	0	0	111.9	R161 R177 C179 D230 R234	R161-E232 IonicContact CZ-OE2 3.44Å; R161-E232 IonicContact NH1-OE2 2.74Å; R161-E232 IonicContact NH2-OE2 3.26Å; R161-E232 PolarHBondContact NH2-OE2 2.91Å; R177-E232 IonicContact CZ-OE1 3.7Å; R177-E232 IonicContact NE-OE1 3.88Å; R177-E232 PolarHBondContact NE-OE1 2.87Å; R177-E232 IonicContact NH2-OE1 3.53Å; R177-E232 PolarHBondContact NH2-OE1 3Å; R177-E232 IonicContact NH2-OE2 3.88Å; C179-E232 VanDerWaalsContact CA-O 3.3Å; C179-E232 WeakPolarHBondContact CA-O 3.44Å; C179-E232 WeakPolarHBondContact CB-O 3.44Å; D230-E232 VanDerWaalsContact C-N 3.28Å; D230-E232 PolarHBondContact O-N 3.5Å; D230-E232 PolarHBondContact OD1-N 2.87Å; D230-E232 VanDerWaalsContact OD1-N 3.11Å; E232-R234 PolarHBondContact O-N 3.43Å
233	T	98.3	Very high	97.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	12%	0.118	C	C	.	.			trans	-83.2	113.2	176.7	-53.2	0	0	0	0	111	C179 S205 F227 D230 H231 G235 I236 K264	C179-T233 CarbonylContact O-C 2.87Å; C179-T233 WeakPolarHBondContact O-CA 3.36Å; S205-T233 PolarHBondContact OG-OG1 2.94Å; F227-T233 HydrophobicContact CB-CG2 3.96Å; F227-T233 HydrophobicContact CD1-CG2 4.44Å; F227-T233 HydrophobicContact CG-CG2 4.34Å; D230-T233 PolarHBondContact O-N 2.85Å; D230-T233 PolarHBondContact OD2-OG1 3.35Å; H231-T233 VanDerWaalsContact C-N 3.34Å; T233-G235 VanDerWaalsContact CG2-O 3.3Å; T233-G235 WeakPolarHBondContact CG2-O 3.46Å; T233-I236 HydrophobicContact CG2-CG1 4.16Å; T233-K264 WeakPolarHBondContact O-CD 3.45Å; T233-K264 WeakPolarHBondContact O-CE 3.19Å; T233-K264 PolarHBondContact O-NZ 2.99Å
234	R	97.8	Very high	97.3	Very high	110 Å²	110	29.9 Å²	29.9	42%	0.415	15%	0.145	S	C	.	.			trans	-104.9	-7.9	176.2	-61.8	-171	-58.1	-177.7	-1	114.1	C179 E232 P265 H328	C179-R234 HydrophobicContact CB-CB 4Å; C179-R234 HydrophobicContact CB-CG 4.01Å; C179-R234 PolarHBondContact O-N 3.06Å; C179-R234 PolarHBondContact SG-NE 2.91Å; C179-R234 VanDerWaalsContact SG-NE 3.42Å; C179-R234 PolarHBondContact SG-NH2 3.1Å; E232-R234 PolarHBondContact O-N 3.43Å; R234-P265 WeakPolarHBondContact O-CD 3.32Å; R234-P265 WeakPolarHBondContact O-CG 3.39Å; R234-H328 PolarHBondContact NH1-CE1 2.89Å; R234-H328 PolarHBondContact NH1-NE2 2.66Å
235	G	98.4	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	156.2	176.5	0	0	0	0	0	110.9	C179 I180 G181 T233 P265	C179-G235 PolarHBondContact O-N 3.09Å; I180-G235 CarbonylContact C-O 3.56Å; I180-G235 WeakPolarHBondContact CA-O 3.27Å; G181-G235 PolarHBondContact N-O 3.12Å; T233-G235 VanDerWaalsContact CG2-O 3.3Å; T233-G235 WeakPolarHBondContact CG2-O 3.46Å; G235-P265 CarbonylContact C-O 3.55Å; G235-P265 WeakPolarHBondContact CA-O 3.28Å
236	I	98.8	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.2	-174.3	-57.5	171.5	0	0	0	109.8	G181 F227 L228 T233 I238 P265 V266 V267	G181-I236 CarbonylContact O-C 3.38Å; G181-I236 WeakPolarHBondContact O-CA 3.44Å; F227-I236 HydrophobicContact CB-CD1 3.56Å; F227-I236 HydrophobicContact CB-CG1 3.84Å; F227-I236 HydrophobicContact CD2-CD1 4.25Å; F227-I236 HydrophobicContact CD2-CG1 4.13Å; F227-I236 HydrophobicContact CD2-CG2 3.81Å; F227-I236 HydrophobicContact CE2-CG2 4.3Å; F227-I236 HydrophobicContact CG-CD1 4.39Å; F227-I236 HydrophobicContact CG-CG1 4.32Å; L228-I236 HydrophobicContact CD2-CD1 3.9Å; L228-I236 HydrophobicContact CG-CD1 4.41Å; T233-I236 HydrophobicContact CG2-CG1 4.16Å; I236-I238 HydrophobicContact CG2-CG1 4.15Å; I236-P265 PolarHBondContact N-O 3.1Å; I236-V266 HydrophobicContact CB-CG1 4.25Å; I236-V266 HydrophobicContact CB-CG2 4.27Å; I236-V266 HydrophobicContact CG2-CG1 4.36Å; I236-V266 WeakPolarHBondContact O-CA 3.49Å; I236-V267 PolarHBondContact O-N 3.4Å
237	I	98.8	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.8	166.8	-63.8	177.4	0	0	0	109.3	I180 G181 I182 V183 A193 T197 I239 V267 M316 I320	I180-I237 HydrophobicContact CG2-CB 4.48Å; I180-I237 HydrophobicContact CG2-CD1 3.92Å; I180-I237 HydrophobicContact CG2-CG1 3.81Å; G181-I237 PolarHBondContact O-N 3.3Å; I182-I237 WeakPolarHBondContact CA-O 3.35Å; I182-I237 HydrophobicContact CG1-CB 4.29Å; I182-I237 HydrophobicContact CG2-CB 4.48Å; V183-I237 PolarHBondContact N-O 3.44Å; A193-I237 HydrophobicContact CB-CD1 4.28Å; A193-I237 HydrophobicContact CB-CG2 4.32Å; T197-I237 HydrophobicContact CG2-CD1 3.57Å; I237-I239 HydrophobicContact CG2-CD1 4.3Å; I237-I239 HydrophobicContact CG2-CG1 3.83Å; I237-V267 CarbonylContact C-O 3.51Å; I237-V267 VanDerWaalsContact CA-O 3.29Å; I237-V267 WeakPolarHBondContact CA-O 3.32Å; I237-M316 HydrophobicContact CD1-CB 4.46Å; I237-M316 HydrophobicContact CG2-SD 4.26Å; I237-I320 HydrophobicContact CD1-CB 4.44Å; I237-I320 HydrophobicContact CD1-CG2 3.95Å; I237-I320 HydrophobicContact CG1-CB 4.34Å; I237-I320 HydrophobicContact CG1-CG1 4.41Å; I237-I320 HydrophobicContact CG1-CG2 4.36Å
238	I	98.8	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.6	173.8	-59.6	172.6	0	0	0	109	V183 F220 I224 I236 L254 V266 V267 A268 F269 L302	V183-I238 HydrophobicContact CG1-CG1 4.09Å; F220-I238 HydrophobicContact CD1-CG2 3.75Å; F220-I238 HydrophobicContact CE1-CG2 3.7Å; F220-I238 HydrophobicContact CG-CG2 4.45Å; F220-I238 HydrophobicContact CZ-CG2 4.37Å; I224-I238 HydrophobicContact CD1-CD1 3.61Å; I224-I238 HydrophobicContact CD1-CG1 4.33Å; I224-I238 HydrophobicContact CG1-CD1 4.28Å; I236-I238 HydrophobicContact CG2-CG1 4.15Å; I238-L254 HydrophobicContact CD1-CD1 3.91Å; I238-V266 HydrophobicContact CD1-CG1 3.65Å; I238-V266 HydrophobicContact CG1-CG1 4.05Å; I238-V267 PolarHBondContact N-O 3.13Å; I238-A268 HydrophobicContact CB-CB 4.05Å; I238-A268 CarbonylContact O-C 3.55Å; I238-A268 WeakPolarHBondContact O-CA 3.35Å; I238-F269 PolarHBondContact O-N 3.05Å; I238-L302 HydrophobicContact CD1-CD2 4.48Å
239	I	98.7	Very high	96.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	99.6	176.5	-50.6	179.9	0	0	0	108.7	I182 V183 S184 R185 L189 A193 I237 F269 M316	I182-I239 HydrophobicContact CG2-CD1 4.33Å; V183-I239 PolarHBondContact O-N 2.66Å; S184-I239 WeakPolarHBondContact CA-O 3.41Å; S184-I239 WeakPolarHBondContact OG-CB 3.46Å; R185-I239 PolarHBondContact N-O 3.31Å; L189-I239 HydrophobicContact CB-CD1 4.24Å; L189-I239 HydrophobicContact CB-CG2 3.61Å; L189-I239 HydrophobicContact CD1-CG2 3.8Å; L189-I239 HydrophobicContact CG-CG2 4.34Å; L189-I239 VanDerWaalsContact O-CD1 3.26Å; L189-I239 WeakPolarHBondContact O-CD1 3.49Å; A193-I239 HydrophobicContact CB-CD1 3.75Å; I237-I239 HydrophobicContact CG2-CD1 4.3Å; I237-I239 HydrophobicContact CG2-CG1 3.83Å; I239-F269 WeakPolarHBondContact CA-O 3.42Å; I239-F269 HydrophobicContact CG2-CD1 4.39Å; I239-M316 HydrophobicContact CD1-CE 4.26Å; I239-M316 HydrophobicContact CD1-SD 3.88Å; I239-M316 HydrophobicContact CG1-SD 3.97Å
240	G	98.1	Very high	97	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	179.8	178	0	0	0	0	0	112.8	E247 F269 A271	G240-E247 WeakPolarHBondContact CA-OE1 3.38Å; G240-F269 PolarHBondContact N-O 3.22Å; G240-A271 PolarHBondContact O-N 2.75Å
241	E	97.1	Very high	97.1	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	176.3	177.3	59.5	-174	-139.7	0	0	109.8	R185 E247 A271 H283 K298	R185-E241 HydrophobicContact CB-CG 4.1Å; R185-E241 IonicContact CZ-OE1 2.9Å; R185-E241 IonicContact NE-OE1 2.75Å; R185-E241 PolarHBondContact NE-OE1 3.26Å; R185-E241 IonicContact NH2-OE1 3.24Å; R185-E241 PolarHBondContact NH2-OE1 3.22Å; E241-E247 PolarHBondContact N-OE1 3.38Å; E241-E247 VanDerWaalsContact N-OE1 3.15Å; E241-A271 CarbonylContact C-O 3.55Å; E241-A271 WeakPolarHBondContact CA-O 3.39Å; E241-A271 HydrophobicContact CB-CB 4.03Å; E241-H283 VanDerWaalsContact CD-ND1 3.33Å; E241-H283 IonicContact OE1-CG 2.76Å; E241-H283 IonicContact OE1-ND1 2.81Å; E241-H283 PolarHBondContact OE1-ND1 3.35Å; E241-H283 VanDerWaalsContact OE1-ND1 3.08Å; E241-H283 IonicContact OE2-CE1 3.61Å; E241-H283 PolarHBondContact OE2-CE1 3.36Å; E241-H283 IonicContact OE2-ND1 2.71Å; E241-H283 PolarHBondContact OE2-ND1 3.42Å; E241-K298 VanDerWaalsContact O-CD 3.31Å; E241-K298 WeakPolarHBondContact O-CD 3.23Å; E241-K298 VanDerWaalsContact O-CE 3.26Å; E241-K298 WeakPolarHBondContact O-CE 3.23Å
242	I	95.5	Very high	97.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	14%	0.138	C	C	.	.	S	Bend	trans	-58.9	159.7	172.5	53.8	155.7	0	0	0	112.7	R185 A271 G272 A275 M281 A286 I288 G293 A295	R185-I242 PolarHBondContact NH1-O 3.27Å; R185-I242 PolarHBondContact NH2-O 3.34Å; I242-A271 PolarHBondContact N-O 3.3Å; I242-A271 VanDerWaalsContact N-O 3.14Å; I242-G272 WeakPolarHBondContact CG2-O 3.02Å; I242-A275 HydrophobicContact CD1-CB 3.58Å; I242-A275 HydrophobicContact CG1-CB 4.44Å; I242-A275 HydrophobicContact CG2-CB 4.48Å; I242-M281 HydrophobicContact CD1-CG 3.86Å; I242-A286 HydrophobicContact CD1-CB 4.39Å; I242-A286 HydrophobicContact CG1-CB 4.11Å; I242-I288 HydrophobicContact CB-CG1 3.98Å; I242-I288 HydrophobicContact CD1-CD1 4.49Å; I242-I288 HydrophobicContact CD1-CG1 4.01Å; I242-I288 HydrophobicContact CG2-CD1 4.07Å; I242-I288 HydrophobicContact CG2-CG1 4.02Å; I242-G293 WeakPolarHBondContact CA-O 3.21Å; I242-A295 HydrophobicContact CG2-CB 4.01Å
243	G	93.6	Very high	97.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	84.8	152.4	176.8	0	0	0	0	0	114.2	R185 I287 G293 K298	R185-G243 PolarHBondContact NH1-O 3.21Å; G243-I287 WeakPolarHBondContact CA-O 2.99Å; G243-G293 PolarHBondContact N-O 3.49Å; G243-K298 WeakPolarHBondContact O-CE 3.21Å; G243-K298 PolarHBondContact O-NZ 3.19Å
244	G	92.6	Very high	97.3	Very high	55 Å²	55	24.6 Å²	24.6	57%	0.567	13%	0.132	S	C	*	.	S	Bend	trans	63.9	-169.4	-173.5	0	0	0	0	0	113.2	K298	G244-K298 PolarHBondContact O-NZ 2.91Å
245	S	94.7	Very high	97.2	Very high	55 Å²	55	24.4 Å²	24.4	39%	0.385	13%	0.132	S	C	.	.	S	Bend	trans	-132.9	19.7	177.5	62.4	0	0	0	0	113.6	E248 K249	S245-E248 WeakPolarHBondContact CA-OE2 3.48Å; S245-E248 PolarHBondContact O-N 2.9Å; S245-K249 WeakPolarHBondContact O-CG 3.11Å; S245-K249 PolarHBondContact O-N 3.31Å; S245-K249 VanDerWaalsContact O-N 3.1Å
246	E	95.6	Very high	97.2	Very high	42 Å²	42	31 Å²	31	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-71.6	-31.3	-172.6	-63.5	-61.4	117.3	0	0	112.2	N219 F220 K249 A250	N219-E246 WeakPolarHBondContact CB-OE2 3.38Å; N219-E246 PolarHBondContact ND2-OE2 2.85Å; F220-E246 HydrophobicContact CD2-CB 3.86Å; F220-E246 HydrophobicContact CE2-CB 4.31Å; E246-K249 PolarHBondContact O-N 3.42Å; E246-K249 IonicContact OE1-NZ 3.87Å; E246-K249 PolarHBondContact OE1-NZ 2.95Å; E246-A250 WeakPolarHBondContact O-CB 3.25Å; E246-A250 PolarHBondContact O-N 3.2Å
247	E	97.9	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-38.9	173.9	-65.3	83.1	173.2	0	0	111.8	R185 F220 G240 E241 A250 A251 I270 K298	R185-E247 WeakPolarHBondContact CD-OE1 3.4Å; R185-E247 IonicContact NH1-OE1 3.4Å; R185-E247 PolarHBondContact NH1-OE1 2.89Å; R185-E247 IonicContact NH1-OE2 3.74Å; F220-E247 HydrophobicContact CD2-CG 4.23Å; F220-E247 HydrophobicContact CE2-CG 3.67Å; F220-E247 WeakPolarHBondContact CE2-OE1 3.19Å; F220-E247 HydrophobicContact CZ-CG 4.24Å; G240-E247 WeakPolarHBondContact CA-OE1 3.38Å; E241-E247 PolarHBondContact N-OE1 3.38Å; E241-E247 VanDerWaalsContact N-OE1 3.15Å; E247-A250 WeakPolarHBondContact O-CB 3.16Å; E247-A250 PolarHBondContact O-N 3.47Å; E247-A251 PolarHBondContact O-N 2.72Å; E247-I270 HydrophobicContact CB-CD1 4.49Å; E247-I270 HydrophobicContact CG-CD1 3.93Å; E247-K298 HydrophobicContact CB-CB 4.07Å; E247-K298 HydrophobicContact CB-CD 3.98Å; E247-K298 HydrophobicContact CB-CG 3.95Å; E247-K298 HydrophobicContact CG-CD 4.04Å; E247-K298 WeakPolarHBondContact OE2-CE 3.2Å; E247-K298 IonicContact OE2-NZ 3.75Å; E247-K298 PolarHBondContact OE2-NZ 3.43Å
248	E	97.3	Very high	97.1	Very high	38 Å²	38	37.2 Å²	37.2	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-43	173.9	-60.7	93.8	131.9	0	0	111.1	S245 A250 A251 D252 K298 A301	S245-E248 WeakPolarHBondContact CA-OE2 3.48Å; S245-E248 PolarHBondContact O-N 2.9Å; E248-A250 VanDerWaalsContact C-N 3.29Å; E248-A250 PolarHBondContact O-N 3.04Å; E248-A251 WeakPolarHBondContact O-CB 3.34Å; E248-A251 PolarHBondContact O-N 2.85Å; E248-A251 VanDerWaalsContact O-N 3.13Å; E248-D252 PolarHBondContact O-N 3.46Å; E248-K298 HydrophobicContact CG-CG 4.45Å; E248-K298 IonicContact OE1-NZ 3.37Å; E248-K298 WeakPolarHBondContact OE2-CG 3.39Å; E248-K298 IonicContact OE2-NZ 3.33Å; E248-K298 PolarHBondContact OE2-NZ 3.3Å; E248-A301 HydrophobicContact CB-CB 4.43Å; E248-A301 HydrophobicContact CG-CB 4.18Å
249	K	97.2	Very high	96.8	Very high	98 Å²	98	41.7 Å²	41.7	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-35.9	173.2	-68.1	174.4	-170.5	169.7	0	112.5	V221 S245 E246 A251 D252 F253	V221-K249 HydrophobicContact CG2-CB 4.46Å; S245-K249 WeakPolarHBondContact O-CG 3.11Å; S245-K249 PolarHBondContact O-N 3.31Å; S245-K249 VanDerWaalsContact O-N 3.1Å; E246-K249 PolarHBondContact O-N 3.42Å; E246-K249 IonicContact OE1-NZ 3.87Å; E246-K249 PolarHBondContact OE1-NZ 2.95Å; K249-A251 VanDerWaalsContact C-N 3.32Å; K249-D252 PolarHBondContact O-N 3.48Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 PolarHBondContact O-N 3.41Å
250	A	98.4	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-39.4	174.4	0	0	0	0	0	111.4	F220 I224 E246 E247 E248 F253 L254	F220-A250 HydrophobicContact CB-CB 3.71Å; F220-A250 HydrophobicContact CG-CB 4.45Å; I224-A250 HydrophobicContact CD1-CB 3.76Å; E246-A250 WeakPolarHBondContact O-CB 3.25Å; E246-A250 PolarHBondContact O-N 3.2Å; E247-A250 WeakPolarHBondContact O-CB 3.16Å; E247-A250 PolarHBondContact O-N 3.47Å; E248-A250 VanDerWaalsContact C-N 3.29Å; E248-A250 PolarHBondContact O-N 3.04Å; A250-F253 PolarHBondContact O-N 2.98Å; A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 VanDerWaalsContact O-CG 3.29Å; A250-L254 WeakPolarHBondContact O-CG 3.28Å; A250-L254 PolarHBondContact O-N 3.07Å
251	A	98.3	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-47.8	174.1	0	0	0	0	0	111.8	E247 E248 K249 F253 L254 R255 A301 L302 A305	E247-A251 PolarHBondContact O-N 2.72Å; E248-A251 WeakPolarHBondContact O-CB 3.34Å; E248-A251 PolarHBondContact O-N 2.85Å; E248-A251 VanDerWaalsContact O-N 3.13Å; K249-A251 VanDerWaalsContact C-N 3.32Å; A251-F253 VanDerWaalsContact C-N 3.34Å; A251-F253 PolarHBondContact O-N 3.24Å; A251-L254 PolarHBondContact O-N 3.48Å; A251-R255 PolarHBondContact O-N 3.06Å; A251-A301 HydrophobicContact CB-CB 3.98Å; A251-A301 WeakPolarHBondContact CB-O 3.41Å; A251-L302 HydrophobicContact CB-CD2 4Å; A251-L302 HydrophobicContact CB-CG 4.29Å; A251-A305 HydrophobicContact CB-CB 3.88Å; A251-A305 WeakPolarHBondContact O-CB 3.41Å
252	D	98.1	Very high	96	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-45	176.3	-69.4	-28.3	0	0	0	111.5	E248 K249 L254 R255 E256	E248-D252 PolarHBondContact O-N 3.46Å; K249-D252 PolarHBondContact O-N 3.48Å; D252-L254 PolarHBondContact O-N 2.9Å; D252-R255 WeakPolarHBondContact O-CB 3.4Å; D252-R255 PolarHBondContact O-N 3.5Å; D252-R255 IonicContact OD1-CZ 3.08Å; D252-R255 IonicContact OD1-NH1 3.81Å; D252-R255 PolarHBondContact OD1-NH1 3.18Å; D252-R255 IonicContact OD1-NH2 3.4Å; D252-E256 PolarHBondContact O-N 3.04Å
253	F	98.4	Very high	96	Very high	25 Å²	25	58.3 Å²	58.3	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-43.1	177.5	-174.4	-94.7	0	0	0	112.6	V221 I224 D225 L228 K249 A250 A251 E256 H257	V221-F253 HydrophobicContact CB-CG 4.5Å; V221-F253 HydrophobicContact CG1-CB 4.31Å; V221-F253 HydrophobicContact CG1-CD1 4.23Å; V221-F253 HydrophobicContact CG1-CD2 3.51Å; V221-F253 HydrophobicContact CG1-CE1 4.47Å; V221-F253 HydrophobicContact CG1-CE2 3.79Å; V221-F253 HydrophobicContact CG1-CG 3.75Å; V221-F253 HydrophobicContact CG1-CZ 4.27Å; V221-F253 HydrophobicContact CG2-CB 3.89Å; V221-F253 HydrophobicContact CG2-CG 4.21Å; I224-F253 HydrophobicContact CB-CD1 4.44Å; I224-F253 HydrophobicContact CG2-CD1 3.88Å; I224-F253 HydrophobicContact CG2-CE1 3.97Å; D225-F253 HydrophobicContact CB-CE1 4.09Å; D225-F253 HydrophobicContact CB-CZ 3.75Å; L228-F253 HydrophobicContact CD1-CE1 4.08Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 PolarHBondContact O-N 3.41Å; A250-F253 PolarHBondContact O-N 2.98Å; A251-F253 VanDerWaalsContact C-N 3.34Å; A251-F253 PolarHBondContact O-N 3.24Å; F253-E256 PolarHBondContact O-N 2.73Å; F253-H257 HydrophobicContact CD1-CB 4.38Å; F253-H257 AromaticContact CD2-CE1 3.73Å; F253-H257 AromaticContact CD2-ND1 3.47Å; F253-H257 WeakPolarHBondContact CD2-ND1 3.48Å; F253-H257 HydrophobicContact CE1-CB 4Å; F253-H257 AromaticContact CE2-CE1 3.58Å; F253-H257 AromaticContact CE2-CG 3.8Å; F253-H257 AromaticContact CE2-ND1 3.47Å; F253-H257 WeakPolarHBondContact CE2-ND1 3.36Å; F253-H257 AromaticContact CE2-NE2 3.92Å; F253-H257 AromaticContact CG-ND1 3.89Å; F253-H257 HydrophobicContact CZ-CB 4.1Å; F253-H257 AromaticContact CZ-CG 3.75Å; F253-H257 AromaticContact CZ-ND1 3.87Å; F253-H257 WeakPolarHBondContact O-CB 3.34Å; F253-H257 PolarHBondContact O-N 3.36Å; F253-H257 PolarHBondContact O-ND1 2.89Å
254	L	98.5	Very high	96.2	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-38.9	176.9	-76	169.1	0	0	0	112.1	I224 I238 A250 A251 D252 E256 H257 N258 V266 A305 V307	I224-L254 HydrophobicContact CD1-CD1 4.37Å; I224-L254 HydrophobicContact CD1-CG 4.4Å; I224-L254 HydrophobicContact CG2-CD2 3.57Å; I224-L254 HydrophobicContact CG2-CG 4.2Å; I238-L254 HydrophobicContact CD1-CD1 3.91Å; A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 VanDerWaalsContact O-CG 3.29Å; A250-L254 WeakPolarHBondContact O-CG 3.28Å; A250-L254 PolarHBondContact O-N 3.07Å; A251-L254 PolarHBondContact O-N 3.48Å; D252-L254 PolarHBondContact O-N 2.9Å; L254-E256 PolarHBondContact O-N 3.14Å; L254-H257 PolarHBondContact O-N 3.24Å; L254-N258 HydrophobicContact CB-CB 4.48Å; L254-N258 HydrophobicContact CD2-CB 3.73Å; L254-N258 WeakPolarHBondContact O-CA 3.5Å; L254-N258 WeakPolarHBondContact O-CB 3.15Å; L254-N258 PolarHBondContact O-N 3.48Å; L254-V266 HydrophobicContact CD1-CG1 4.18Å; L254-V266 HydrophobicContact CD1-CG2 4.44Å; L254-V266 HydrophobicContact CD2-CG2 3.99Å; L254-A305 HydrophobicContact CB-CB 4.34Å; L254-V307 HydrophobicContact CD1-CG2 3.55Å
255	R	97.5	Very high	96.4	Very high	107 Å²	107	58.1 Å²	58.1	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-35.1	176.6	-166.8	-173.2	-63	122.9	-1.7	111.8	A251 D252 T259 E304 A305	A251-R255 PolarHBondContact O-N 3.06Å; D252-R255 WeakPolarHBondContact O-CB 3.4Å; D252-R255 PolarHBondContact O-N 3.5Å; D252-R255 IonicContact OD1-CZ 3.08Å; D252-R255 IonicContact OD1-NH1 3.81Å; D252-R255 PolarHBondContact OD1-NH1 3.18Å; D252-R255 IonicContact OD1-NH2 3.4Å; R255-T259 WeakPolarHBondContact O-CG2 3.35Å; R255-E304 IonicContact NH2-OE2 3.1Å; R255-A305 HydrophobicContact CB-CB 4.4Å
256	E	97.4	Very high	96.6	Very high	138 Å²	138	55.8 Å²	55.8	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-84.4	-40.8	-179.8	-69.1	176.5	-179.1	0	0	113	D252 F253 L254	D252-E256 PolarHBondContact O-N 3.04Å; F253-E256 PolarHBondContact O-N 2.73Å; L254-E256 PolarHBondContact O-N 3.14Å
257	H	97.9	Very high	96.8	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-110.9	-15.7	-164.9	-61.3	81.2	0	0	0	114.9	L228 F253 L254	L228-H257 HydrophobicContact CD1-CB 4.08Å; F253-H257 HydrophobicContact CD1-CB 4.38Å; F253-H257 AromaticContact CD2-CE1 3.73Å; F253-H257 AromaticContact CD2-ND1 3.47Å; F253-H257 WeakPolarHBondContact CD2-ND1 3.48Å; F253-H257 HydrophobicContact CE1-CB 4Å; F253-H257 AromaticContact CE2-CE1 3.58Å; F253-H257 AromaticContact CE2-CG 3.8Å; F253-H257 AromaticContact CE2-ND1 3.47Å; F253-H257 WeakPolarHBondContact CE2-ND1 3.36Å; F253-H257 AromaticContact CE2-NE2 3.92Å; F253-H257 AromaticContact CG-ND1 3.89Å; F253-H257 HydrophobicContact CZ-CB 4.1Å; F253-H257 AromaticContact CZ-CG 3.75Å; F253-H257 AromaticContact CZ-ND1 3.87Å; F253-H257 WeakPolarHBondContact O-CB 3.34Å; F253-H257 PolarHBondContact O-N 3.36Å; F253-H257 PolarHBondContact O-ND1 2.89Å; L254-H257 PolarHBondContact O-N 3.24Å
258	N	97.7	Very high	96.8	Very high	31 Å²	31	53.8 Å²	53.8	17%	0.166	29%	0.293	C	S	.	.	S	Bend	trans	-110.9	60.5	-179.7	-168.2	47.3	0	0	0	110.7	L228 L254 A263 K264	L228-N258 HydrophobicContact CD1-CB 4.12Å; L228-N258 HydrophobicContact CD2-CB 4.07Å; L228-N258 VanDerWaalsContact CD2-OD1 3.23Å; L228-N258 WeakPolarHBondContact CD2-OD1 3.45Å; L254-N258 HydrophobicContact CB-CB 4.48Å; L254-N258 HydrophobicContact CD2-CB 3.73Å; L254-N258 WeakPolarHBondContact O-CA 3.5Å; L254-N258 WeakPolarHBondContact O-CB 3.15Å; L254-N258 PolarHBondContact O-N 3.48Å; N258-A263 WeakPolarHBondContact OD1-CA 3.33Å; N258-K264 PolarHBondContact ND2-O 3.28Å; N258-K264 PolarHBondContact OD1-N 2.91Å
259	T	93.5	Very high	96.9	Very high	94 Å²	94	53 Å²	53	58%	0.577	29%	0.289	S	S	*	.			trans	-122.3	163.9	-175.4	62.1	0	0	0	0	111.4	R255	R255-T259 WeakPolarHBondContact O-CG2 3.35Å
260	G	92.8	Very high	96.9	Very high	55 Å²	55	48.5 Å²	48.5	57%	0.567	27%	0.27	S	S	*	.	S	Bend	trans	82.9	-170	176.7	0	0	0	0	0	114.6	D262 A263	G260-D262 VanDerWaalsContact C-N 3.29Å; G260-D262 PolarHBondContact O-N 3.32Å; G260-A263 VanDerWaalsContact O-CB 3.27Å; G260-A263 WeakPolarHBondContact O-CB 3.4Å; G260-A263 PolarHBondContact O-N 3.42Å
261	P	90.9	Very high	96.9	Very high	132 Å²	132	49.6 Å²	49.6	86%	0.857	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.1	-173	26.9	-34.5	0	0	0	113.7	A263	P261-A263 VanDerWaalsContact C-N 3.31Å
262	D	91.8	Very high	96.7	Very high	145 Å²	145	50.9 Å²	50.9	78%	0.775	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	8.7	179.9	-57.5	-46.7	0	0	0	113	G260 K264	G260-D262 VanDerWaalsContact C-N 3.29Å; G260-D262 PolarHBondContact O-N 3.32Å; D262-K264 PolarHBondContact O-N 3.26Å
263	A	95.9	Very high	96.4	Very high	35 Å²	35	51.2 Å²	51.2	29%	0.289	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.1	128.6	179.3	0	0	0	0	0	110.9	N258 G260 P261	N258-A263 WeakPolarHBondContact OD1-CA 3.33Å; G260-A263 VanDerWaalsContact O-CB 3.27Å; G260-A263 WeakPolarHBondContact O-CB 3.4Å; G260-A263 PolarHBondContact O-N 3.42Å; P261-A263 VanDerWaalsContact C-N 3.31Å
264	K	97.7	Very high	96.2	Very high	34 Å²	34	56.7 Å²	56.7	15%	0.148	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-84	138.2	-179.1	-58.5	-171.4	-175.4	-171.8	0	110.1	F227 L228 D230 T233 N258 D262 V266	F227-K264 PolarHBondContact O-NZ 2.75Å; L228-K264 HydrophobicContact CD2-CB 4.3Å; L228-K264 HydrophobicContact CD2-CD 4.25Å; L228-K264 HydrophobicContact CD2-CG 4.31Å; L228-K264 VanDerWaalsContact O-CE 3.29Å; L228-K264 WeakPolarHBondContact O-CE 3.41Å; L228-K264 PolarHBondContact O-NZ 3.01Å; L228-K264 VanDerWaalsContact O-NZ 3.07Å; D230-K264 PolarHBondContact O-NZ 3.13Å; T233-K264 WeakPolarHBondContact O-CD 3.45Å; T233-K264 WeakPolarHBondContact O-CE 3.19Å; T233-K264 PolarHBondContact O-NZ 2.99Å; N258-K264 PolarHBondContact ND2-O 3.28Å; N258-K264 PolarHBondContact OD1-N 2.91Å; D262-K264 PolarHBondContact O-N 3.26Å; K264-V266 WeakPolarHBondContact O-CG2 3.14Å; K264-V266 PolarHBondContact O-N 2.76Å
265	P	98	Very high	95.8	Very high	17 Å²	17	57.3 Å²	57.3	11%	0.11	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.2	174.9	26.3	-34.4	0	0	0	110.7	R234 G235 I236 I320 L323 V324 L327	R234-P265 WeakPolarHBondContact O-CD 3.32Å; R234-P265 WeakPolarHBondContact O-CG 3.39Å; G235-P265 CarbonylContact C-O 3.55Å; G235-P265 WeakPolarHBondContact CA-O 3.28Å; I236-P265 PolarHBondContact N-O 3.1Å; P265-I320 HydrophobicContact CB-CD1 4.18Å; P265-I320 HydrophobicContact CG-CD1 4.39Å; P265-L323 HydrophobicContact CB-CB 3.59Å; P265-L323 HydrophobicContact CB-CD1 3.99Å; P265-L323 HydrophobicContact CB-CG 4.43Å; P265-L323 HydrophobicContact CG-CB 4.4Å; P265-V324 HydrophobicContact CG-CG2 3.7Å; P265-L327 HydrophobicContact CG-CD1 3.94Å
266	V	98.7	Very high	95.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.6	178.2	-169	0	0	0	0	109.6	I236 I238 L254 K264 V307 T308	I236-V266 HydrophobicContact CB-CG1 4.25Å; I236-V266 HydrophobicContact CB-CG2 4.27Å; I236-V266 HydrophobicContact CG2-CG1 4.36Å; I236-V266 WeakPolarHBondContact O-CA 3.49Å; I238-V266 HydrophobicContact CD1-CG1 3.65Å; I238-V266 HydrophobicContact CG1-CG1 4.05Å; L254-V266 HydrophobicContact CD1-CG1 4.18Å; L254-V266 HydrophobicContact CD1-CG2 4.44Å; L254-V266 HydrophobicContact CD2-CG2 3.99Å; K264-V266 WeakPolarHBondContact O-CG2 3.14Å; K264-V266 PolarHBondContact O-N 2.76Å; V266-V307 HydrophobicContact CB-CG1 4.09Å; V266-V307 HydrophobicContact CB-CG2 4.12Å; V266-V307 HydrophobicContact CG1-CG1 3.78Å; V266-V307 HydrophobicContact CG1-CG2 4.05Å; V266-T308 PolarHBondContact O-N 2.87Å
267	V	98.8	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.4	169.4	169	0	0	0	0	109.3	I236 I237 I238 T308 T310 I320 L323	I236-V267 PolarHBondContact O-N 3.4Å; I237-V267 CarbonylContact C-O 3.51Å; I237-V267 VanDerWaalsContact CA-O 3.29Å; I237-V267 WeakPolarHBondContact CA-O 3.32Å; I238-V267 PolarHBondContact N-O 3.13Å; V267-T308 CarbonylContact C-O 3.43Å; V267-T308 WeakPolarHBondContact CA-O 3.31Å; V267-T308 HydrophobicContact CG2-CG2 4.36Å; V267-T310 HydrophobicContact CG1-CG2 4.26Å; V267-I320 HydrophobicContact CB-CB 4.29Å; V267-I320 HydrophobicContact CB-CD1 4.28Å; V267-I320 HydrophobicContact CG2-CB 3.85Å; V267-I320 HydrophobicContact CG2-CD1 3.82Å; V267-I320 HydrophobicContact CG2-CG1 4.43Å; V267-L323 HydrophobicContact CG2-CD1 3.77Å
268	A	98.8	Very high	94.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.8	174.3	0	0	0	0	0	113.3	I238 L302 V307 T308 V309 T310	I238-A268 HydrophobicContact CB-CB 4.05Å; I238-A268 CarbonylContact O-C 3.55Å; I238-A268 WeakPolarHBondContact O-CA 3.35Å; A268-L302 HydrophobicContact CB-CD1 3.9Å; A268-V307 HydrophobicContact CB-CG1 3.68Å; A268-T308 PolarHBondContact N-O 3.39Å; A268-V309 HydrophobicContact CB-CG2 4.37Å; A268-V309 CarbonylContact O-C 3.55Å; A268-V309 WeakPolarHBondContact O-CA 3.41Å; A268-T310 WeakPolarHBondContact O-CG2 3.48Å; A268-T310 PolarHBondContact O-N 2.86Å
269	F	98.6	Very high	93.6	Very high	21 Å²	21	58 Å²	58	9%	0.092	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.2	165	174.5	-105.6	0	0	0	108.9	L189 I238 I239 G240 A271 T310 P313 M316	L189-F269 HydrophobicContact CD1-CD1 4.15Å; L189-F269 HydrophobicContact CD1-CE1 3.88Å; L189-F269 HydrophobicContact CD2-CD1 4.39Å; L189-F269 HydrophobicContact CD2-CE1 4Å; I238-F269 PolarHBondContact O-N 3.05Å; I239-F269 WeakPolarHBondContact CA-O 3.42Å; I239-F269 HydrophobicContact CG2-CD1 4.39Å; G240-F269 PolarHBondContact N-O 3.22Å; F269-A271 HydrophobicContact CE1-CB 3.92Å; F269-T310 HydrophobicContact CB-CG2 3.96Å; F269-T310 HydrophobicContact CD2-CG2 4.35Å; F269-P313 HydrophobicContact CD1-CB 4.28Å; F269-P313 HydrophobicContact CD2-CB 4.38Å; F269-P313 HydrophobicContact CE1-CB 3.91Å; F269-P313 HydrophobicContact CE2-CB 4.04Å; F269-P313 HydrophobicContact CE2-CG 4.27Å; F269-P313 HydrophobicContact CZ-CB 3.78Å; F269-P313 HydrophobicContact CZ-CG 4.02Å; F269-M316 HydrophobicContact CB-CG 4.07Å; F269-M316 HydrophobicContact CB-SD 3.78Å; F269-M316 HydrophobicContact CG-SD 4.45Å
270	I	98.2	Very high	93.3	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.4	177.8	-55	-56.4	0	0	0	109.4	E247 A295 K298 I299 L302	E247-I270 HydrophobicContact CB-CD1 4.49Å; E247-I270 HydrophobicContact CG-CD1 3.93Å; I270-A295 HydrophobicContact CG2-CB 3.75Å; I270-K298 HydrophobicContact CD1-CB 4.48Å; I270-K298 HydrophobicContact CG1-CB 4.26Å; I270-K298 HydrophobicContact CG2-CB 4.16Å; I270-K298 HydrophobicContact CG2-CD 4.13Å; I270-I299 HydrophobicContact CB-CD1 4.37Å; I270-I299 HydrophobicContact CB-CG1 3.89Å; I270-I299 HydrophobicContact CG1-CG1 3.87Å; I270-L302 HydrophobicContact CD1-CD1 3.71Å; I270-L302 HydrophobicContact CG1-CD1 4.06Å
271	A	97	Very high	93.1	Very high	22 Å²	22	63.5 Å²	63.5	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	153	176.9	0	0	0	0	0	112.1	L189 G240 E241 I242 F269	L189-A271 HydrophobicContact CD1-CB 4.03Å; G240-A271 PolarHBondContact O-N 2.75Å; E241-A271 CarbonylContact C-O 3.55Å; E241-A271 WeakPolarHBondContact CA-O 3.39Å; E241-A271 HydrophobicContact CB-CB 4.03Å; I242-A271 PolarHBondContact N-O 3.3Å; I242-A271 VanDerWaalsContact N-O 3.14Å; F269-A271 HydrophobicContact CE1-CB 3.92Å
272	G	94.7	Very high	93.1	Very high	27 Å²	27	60.5 Å²	60.5	28%	0.278	36%	0.357	S	S	.	.			trans	92.8	21.1	171.8	0	0	0	0	0	115.8	I242 T274 A275	I242-G272 WeakPolarHBondContact CG2-O 3.02Å; G272-T274 PolarHBondContact O-N 3.45Å; G272-A275 VanDerWaalsContact O-CB 3.27Å; G272-A275 WeakPolarHBondContact O-CB 3.38Å; G272-A275 PolarHBondContact O-N 2.99Å
273	V	92.7	Very high	93.1	Very high	80 Å²	80	55.6 Å²	55.6	49%	0.485	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-32.7	171.9	178.6	0	0	0	0	112.3	A295 I299 M311	V273-A295 HydrophobicContact CB-CB 4.42Å; V273-A295 HydrophobicContact CG2-CB 3.82Å; V273-I299 HydrophobicContact CG2-CD1 3.96Å; V273-M311 HydrophobicContact CG2-CE 4.49Å
274	T	92.4	Very high	92.8	Very high	141 Å²	141	55.2 Å²	55.2	87%	0.865	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	10	179.3	55.3	0	0	0	0	113.8	G272	G272-T274 PolarHBondContact O-N 3.45Å
275	A	91.3	Very high	92.4	Very high	14 Å²	14	53.8 Å²	53.8	12%	0.116	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-72	134.1	-176.6	0	0	0	0	0	111.5	I242 G272 M281	I242-A275 HydrophobicContact CD1-CB 3.58Å; I242-A275 HydrophobicContact CG1-CB 4.44Å; I242-A275 HydrophobicContact CG2-CB 4.48Å; G272-A275 VanDerWaalsContact O-CB 3.27Å; G272-A275 WeakPolarHBondContact O-CB 3.38Å; G272-A275 PolarHBondContact O-N 2.99Å; A275-M281 HydrophobicContact CB-CG 4.07Å
276	P	86.9	Confident	92	Very high	56 Å²	56	53.2 Å²	53.2	36%	0.364	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.6	177.3	27.7	-33.2	0	0	0	111.3	R279 M281	P276-R279 HydrophobicContact CG-CB 4.18Å; P276-R279 HydrophobicContact CG-CG 4.15Å; P276-M281 HydrophobicContact CG-SD 4.37Å
277	P	86.4	Confident	91.5	Very high	107 Å²	107	54.9 Å²	54.9	70%	0.695	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	146.5	175.5	-24.2	33.8	0	0	0	113.1	R279	P277-R279 PolarHBondContact O-N 3.46Å
278	G	84.1	Confident	90.9	Very high	54 Å²	54	55.8 Å²	55.8	56%	0.557	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	2.6	173.7	0	0	0	0	0	116.3	I288	G278-I288 WeakPolarHBondContact CA-O 3.45Å; G278-I288 PolarHBondContact N-O 3.43Å
279	R	86	Confident	90	Very high	173 Å²	173	58.8 Å²	58.8	65%	0.653	35%	0.352	S	S	*	.			trans	-106.4	142.8	175.2	-60.1	-150.8	-168.7	-132.6	8	112	P276 P277 M281	P276-R279 HydrophobicContact CG-CB 4.18Å; P276-R279 HydrophobicContact CG-CG 4.15Å; P277-R279 PolarHBondContact O-N 3.46Å; R279-M281 HydrophobicContact CB-SD 4.32Å
280	R	87.4	Confident	89	Confident	171 Å²	171	61.9 Å²	61.9	65%	0.645	39%	0.39	S	S	*	.			trans	-82.9	128	170.2	-60.8	-179.4	-162	171.5	4.7	109.4	G282 A286 I287	R280-G282 PolarHBondContact O-N 3.33Å; R280-A286 WeakPolarHBondContact CA-O 3.29Å; R280-I287 HydrophobicContact CG-CB 4.22Å; R280-I287 HydrophobicContact CG-CD1 4.02Å
281	M	89.2	Confident	87.9	Confident	93 Å²	93	64.4 Å²	64.4	46%	0.458	42%	0.417	S	S	.	.			trans	-101.7	68.7	-176.2	-56.9	-53.4	-62.3	0	0	111.4	I242 A275 P276 R279 H283 A286	I242-M281 HydrophobicContact CD1-CG 3.86Å; A275-M281 HydrophobicContact CB-CG 4.07Å; P276-M281 HydrophobicContact CG-SD 4.37Å; R279-M281 HydrophobicContact CB-SD 4.32Å; M281-H283 VanDerWaalsContact C-N 3.28Å; M281-H283 PolarHBondContact O-N 3.1Å; M281-A286 HydrophobicContact CB-CB 4.07Å; M281-A286 PolarHBondContact N-O 2.85Å
282	G	91.4	Very high	87	Confident	70 Å²	70	71.3 Å²	71.3	72%	0.722	44%	0.442	S	S	*	.	S	Bend	trans	75.6	-75.5	-175.7	0	0	0	0	0	111.7	R280 A284	R280-G282 PolarHBondContact O-N 3.33Å; G282-A284 PolarHBondContact O-N 3.15Å
283	H	91.4	Very high	86.4	Confident	41 Å²	41	70.1 Å²	70.1	19%	0.19	43%	0.43	C	S	.	.	S	Bend	trans	-57.7	136.5	175	-71.7	167.8	0	0	0	111.8	R185 E241 M281 G285 A286	R185-H283 PolarHBondContact O-CE1 3.02Å; E241-H283 VanDerWaalsContact CD-ND1 3.33Å; E241-H283 IonicContact OE1-CG 2.76Å; E241-H283 IonicContact OE1-ND1 2.81Å; E241-H283 PolarHBondContact OE1-ND1 3.35Å; E241-H283 VanDerWaalsContact OE1-ND1 3.08Å; E241-H283 IonicContact OE2-CE1 3.61Å; E241-H283 PolarHBondContact OE2-CE1 3.36Å; E241-H283 IonicContact OE2-ND1 2.71Å; E241-H283 PolarHBondContact OE2-ND1 3.42Å; M281-H283 VanDerWaalsContact C-N 3.28Å; M281-H283 PolarHBondContact O-N 3.1Å; H283-G285 PolarHBondContact O-N 3.02Å; H283-A286 HydrophobicContact CB-CB 3.82Å; H283-A286 PolarHBondContact O-N 3.46Å; H283-A286 VanDerWaalsContact O-N 3.09Å
284	A	88.9	Confident	86.4	Confident	27 Å²	27	67.8 Å²	67.8	22%	0.223	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.4	-178.9	0	0	0	0	0	113	G282	G282-A284 PolarHBondContact O-N 3.15Å
285	G	88.5	Confident	86.4	Confident	5 Å²	5	61.2 Å²	61.2	5%	0.052	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.4	177.3	0	0	0	0	0	114.8	R185 G212 H283 I287	R185-G285 PolarHBondContact NH2-O 3.15Å; G212-G285 WeakPolarHBondContact O-CA 3.16Å; G212-G285 PolarHBondContact O-N 3.47Å; H283-G285 PolarHBondContact O-N 3.02Å; G285-I287 VanDerWaalsContact C-N 3.34Å; G285-I287 PolarHBondContact O-N 3.29Å
286	A	91	Very high	86.6	Confident	4 Å²	4	64 Å²	64	3%	0.033	39%	0.392	C	S	.	.			trans	-85.3	71.7	-178	0	0	0	0	0	111.6	I242 R280 M281 H283	I242-A286 HydrophobicContact CD1-CB 4.39Å; I242-A286 HydrophobicContact CG1-CB 4.11Å; R280-A286 WeakPolarHBondContact CA-O 3.29Å; M281-A286 HydrophobicContact CB-CB 4.07Å; M281-A286 PolarHBondContact N-O 2.85Å; H283-A286 HydrophobicContact CB-CB 3.82Å; H283-A286 PolarHBondContact O-N 3.46Å; H283-A286 VanDerWaalsContact O-N 3.09Å
287	I	88.4	Confident	86.8	Confident	42 Å²	42	65 Å²	65	22%	0.215	39%	0.394	C	S	.	.			trans	-141.1	132.9	178.9	-174	173	0	0	0	111.6	G243 R280 G285	G243-I287 WeakPolarHBondContact CA-O 2.99Å; R280-I287 HydrophobicContact CG-CB 4.22Å; R280-I287 HydrophobicContact CG-CD1 4.02Å; G285-I287 VanDerWaalsContact C-N 3.34Å; G285-I287 PolarHBondContact O-N 3.29Å
288	I	85.8	Confident	87.4	Confident	20 Å²	20	59.9 Å²	59.9	10%	0.103	36%	0.361	C	S	.	.			trans	-86.9	118.2	170	-55.3	170.3	0	0	0	107.9	I242 G278 T294	I242-I288 HydrophobicContact CB-CG1 3.98Å; I242-I288 HydrophobicContact CD1-CD1 4.49Å; I242-I288 HydrophobicContact CD1-CG1 4.01Å; I242-I288 HydrophobicContact CG2-CD1 4.07Å; I242-I288 HydrophobicContact CG2-CG1 4.02Å; G278-I288 WeakPolarHBondContact CA-O 3.45Å; G278-I288 PolarHBondContact N-O 3.43Å; I288-T294 HydrophobicContact CG2-CG2 3.92Å
289	S	79.9	Confident	88	Confident	63 Å²	63	57.9 Å²	57.9	44%	0.441	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-128.9	129.4	-175.5	-65.2	0	0	0	0	111.4	G291 K292	S289-G291 VanDerWaalsContact C-N 3.26Å; S289-G291 PolarHBondContact O-N 3.4Å; S289-K292 PolarHBondContact N-O 3.08Å; S289-K292 PolarHBondContact O-N 2.84Å
290	G	76.3	Confident	88.5	Confident	86 Å²	86	54.6 Å²	54.6	89%	0.887	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	34.7	175.8	0	0	0	0	0	114.3	K292	G290-K292 PolarHBondContact O-N 3.22Å
291	G	76.2	Confident	89	Confident	57 Å²	57	47.1 Å²	47.1	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	0.4	-176.4	0	0	0	0	0	115.2	S289	S289-G291 VanDerWaalsContact C-N 3.26Å; S289-G291 PolarHBondContact O-N 3.4Å
292	K	78.7	Confident	89.4	Confident	166 Å²	166	42.7 Å²	42.7	72%	0.722	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-101.1	151.7	178.5	-62.1	-176.8	180	-177.4	0	111.3	S289 G290	S289-K292 PolarHBondContact N-O 3.08Å; S289-K292 PolarHBondContact O-N 2.84Å; G290-K292 PolarHBondContact O-N 3.22Å
293	G	82.2	Confident	89.7	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	80.5	23.4	177.2	0	0	0	0	0	114.4	I242 G243	I242-G293 WeakPolarHBondContact CA-O 3.21Å; G243-G293 PolarHBondContact N-O 3.49Å
294	T	91.2	Very high	90	Very high	32 Å²	32	49.8 Å²	49.8	20%	0.196	30%	0.295	C	S	.	.			trans	-67.8	149.4	171.9	61.3	0	0	0	0	110.2	I288 T296 N297 K298	I288-T294 HydrophobicContact CG2-CG2 3.92Å; T294-T296 VanDerWaalsContact C-N 3.28Å; T294-T296 PolarHBondContact O-N 2.97Å; T294-N297 WeakPolarHBondContact OG1-CB 3.18Å; T294-N297 PolarHBondContact OG1-N 2.96Å; T294-N297 PolarHBondContact OG1-OD1 2.93Å; T294-K298 WeakPolarHBondContact O-CG 3.29Å
295	A	93.8	Very high	90.4	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-36.7	174.4	0	0	0	0	0	111.4	I242 I270 V273 N297 K298 I299	I242-A295 HydrophobicContact CG2-CB 4.01Å; I270-A295 HydrophobicContact CG2-CB 3.75Å; V273-A295 HydrophobicContact CB-CB 4.42Å; V273-A295 HydrophobicContact CG2-CB 3.82Å; A295-N297 PolarHBondContact O-N 2.95Å; A295-K298 WeakPolarHBondContact O-CB 3.18Å; A295-K298 PolarHBondContact O-N 3.4Å; A295-I299 WeakPolarHBondContact O-CG1 3.26Å; A295-I299 PolarHBondContact O-N 3.34Å
296	T	93.8	Very high	90.8	Very high	72 Å²	72	52.2 Å²	52.2	44%	0.442	32%	0.321	S	S	.	.	H	α-helix	trans	-56.9	-50.7	-180	-50.8	0	0	0	0	112.3	T294 K298 I299 E300	T294-T296 VanDerWaalsContact C-N 3.28Å; T294-T296 PolarHBondContact O-N 2.97Å; T296-K298 VanDerWaalsContact C-N 3.28Å; T296-K298 PolarHBondContact O-N 2.81Å; T296-I299 WeakPolarHBondContact O-CB 3.45Å; T296-I299 PolarHBondContact O-N 3.39Å; T296-I299 VanDerWaalsContact O-N 3.15Å; T296-E300 WeakPolarHBondContact O-CG 3.4Å; T296-E300 PolarHBondContact O-N 3.17Å
297	N	93.1	Very high	91.2	Very high	76 Å²	76	52.3 Å²	52.3	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-37.2	-178.8	-64.4	18.6	0	0	0	111.5	T294 A295 E300 A301	T294-N297 WeakPolarHBondContact OG1-CB 3.18Å; T294-N297 PolarHBondContact OG1-N 2.96Å; T294-N297 PolarHBondContact OG1-OD1 2.93Å; A295-N297 PolarHBondContact O-N 2.95Å; N297-E300 PolarHBondContact O-N 2.92Å; N297-A301 WeakPolarHBondContact O-CB 3.46Å; N297-A301 PolarHBondContact O-N 3.42Å
298	K	97	Very high	91.6	Very high	0 Å²	0	53 Å²	53	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-44.1	175.9	-64.7	175.4	-176.4	-63.5	0	111.6	E241 G243 G244 E247 E248 I270 T294 A295 T296 L302	E241-K298 VanDerWaalsContact O-CD 3.31Å; E241-K298 WeakPolarHBondContact O-CD 3.23Å; E241-K298 VanDerWaalsContact O-CE 3.26Å; E241-K298 WeakPolarHBondContact O-CE 3.23Å; G243-K298 WeakPolarHBondContact O-CE 3.21Å; G243-K298 PolarHBondContact O-NZ 3.19Å; G244-K298 PolarHBondContact O-NZ 2.91Å; E247-K298 HydrophobicContact CB-CB 4.07Å; E247-K298 HydrophobicContact CB-CD 3.98Å; E247-K298 HydrophobicContact CB-CG 3.95Å; E247-K298 HydrophobicContact CG-CD 4.04Å; E247-K298 WeakPolarHBondContact OE2-CE 3.2Å; E247-K298 IonicContact OE2-NZ 3.75Å; E247-K298 PolarHBondContact OE2-NZ 3.43Å; E248-K298 HydrophobicContact CG-CG 4.45Å; E248-K298 IonicContact OE1-NZ 3.37Å; E248-K298 WeakPolarHBondContact OE2-CG 3.39Å; E248-K298 IonicContact OE2-NZ 3.33Å; E248-K298 PolarHBondContact OE2-NZ 3.3Å; I270-K298 HydrophobicContact CD1-CB 4.48Å; I270-K298 HydrophobicContact CG1-CB 4.26Å; I270-K298 HydrophobicContact CG2-CB 4.16Å; I270-K298 HydrophobicContact CG2-CD 4.13Å; T294-K298 WeakPolarHBondContact O-CG 3.29Å; A295-K298 WeakPolarHBondContact O-CB 3.18Å; A295-K298 PolarHBondContact O-N 3.4Å; T296-K298 VanDerWaalsContact C-N 3.28Å; T296-K298 PolarHBondContact O-N 2.81Å; K298-L302 WeakPolarHBondContact O-CB 3.26Å; K298-L302 WeakPolarHBondContact O-CD1 3.15Å; K298-L302 WeakPolarHBondContact O-CG 3.42Å; K298-L302 PolarHBondContact O-N 3.08Å
299	I	97.3	Very high	92.2	Very high	13 Å²	13	53 Å²	53	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-45.3	177.2	-69	165.8	0	0	0	110.3	I270 V273 A295 T296 K303 V309 M311	I270-I299 HydrophobicContact CB-CD1 4.37Å; I270-I299 HydrophobicContact CB-CG1 3.89Å; I270-I299 HydrophobicContact CG1-CG1 3.87Å; V273-I299 HydrophobicContact CG2-CD1 3.96Å; A295-I299 WeakPolarHBondContact O-CG1 3.26Å; A295-I299 PolarHBondContact O-N 3.34Å; T296-I299 WeakPolarHBondContact O-CB 3.45Å; T296-I299 PolarHBondContact O-N 3.39Å; T296-I299 VanDerWaalsContact O-N 3.15Å; I299-K303 HydrophobicContact CG2-CD 4.05Å; I299-K303 WeakPolarHBondContact O-CB 3.45Å; I299-K303 VanDerWaalsContact O-CG 3.3Å; I299-K303 WeakPolarHBondContact O-CG 3.42Å; I299-K303 PolarHBondContact O-N 3.42Å; I299-V309 HydrophobicContact CB-CG1 4.41Å; I299-V309 HydrophobicContact CG1-CG1 4.04Å; I299-V309 HydrophobicContact CG2-CB 4.34Å; I299-V309 HydrophobicContact CG2-CG1 3.97Å; I299-M311 HydrophobicContact CD1-CE 4.22Å; I299-M311 HydrophobicContact CD1-SD 4.39Å
300	E	97	Very high	93.1	Very high	103 Å²	103	50.4 Å²	50.4	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-51.7	178.4	-73.2	171.1	177.7	0	0	111.4	T296 N297 L302 K303 E304	T296-E300 WeakPolarHBondContact O-CG 3.4Å; T296-E300 PolarHBondContact O-N 3.17Å; N297-E300 PolarHBondContact O-N 2.92Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.43Å; E300-K303 PolarHBondContact O-N 3.45Å; E300-K303 VanDerWaalsContact O-N 3.14Å; E300-E304 WeakPolarHBondContact O-CG 3.41Å; E300-E304 PolarHBondContact O-N 2.82Å
301	A	97.4	Very high	94	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-55.9	-46.2	178.3	0	0	0	0	0	112.2	E248 A251 N297 E304 A305	E248-A301 HydrophobicContact CB-CB 4.43Å; E248-A301 HydrophobicContact CG-CB 4.18Å; A251-A301 HydrophobicContact CB-CB 3.98Å; A251-A301 WeakPolarHBondContact CB-O 3.41Å; N297-A301 WeakPolarHBondContact O-CB 3.46Å; N297-A301 PolarHBondContact O-N 3.42Å; A301-E304 PolarHBondContact O-N 3Å; A301-A305 PolarHBondContact O-N 3.41Å; A301-A305 VanDerWaalsContact O-N 3.1Å
302	L	98.2	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-42.2	178.2	-74.7	166.8	0	0	0	112.2	I238 A251 A268 I270 K298 E300 E304 A305 G306 V307 V309	I238-L302 HydrophobicContact CD1-CD2 4.48Å; A251-L302 HydrophobicContact CB-CD2 4Å; A251-L302 HydrophobicContact CB-CG 4.29Å; A268-L302 HydrophobicContact CB-CD1 3.9Å; I270-L302 HydrophobicContact CD1-CD1 3.71Å; I270-L302 HydrophobicContact CG1-CD1 4.06Å; K298-L302 WeakPolarHBondContact O-CB 3.26Å; K298-L302 WeakPolarHBondContact O-CD1 3.15Å; K298-L302 WeakPolarHBondContact O-CG 3.42Å; K298-L302 PolarHBondContact O-N 3.08Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.43Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.02Å; L302-A305 PolarHBondContact O-N 3.46Å; L302-A305 VanDerWaalsContact O-N 3.15Å; L302-G306 PolarHBondContact O-N 2.98Å; L302-V307 HydrophobicContact CB-CB 4.11Å; L302-V307 HydrophobicContact CB-CG1 4.48Å; L302-V307 HydrophobicContact CB-CG2 4.41Å; L302-V307 HydrophobicContact CD2-CB 4.5Å; L302-V307 HydrophobicContact CD2-CG2 4.05Å; L302-V307 WeakPolarHBondContact O-CB 3.43Å; L302-V307 WeakPolarHBondContact O-CG2 3.3Å; L302-V307 PolarHBondContact O-N 3.41Å; L302-V309 HydrophobicContact CB-CG2 3.83Å
303	K	98	Very high	95.8	Very high	116 Å²	116	45.4 Å²	45.4	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.6	-77.3	177.2	177.8	178.6	0	111.7	I299 E300 A305 G306 V309	I299-K303 HydrophobicContact CG2-CD 4.05Å; I299-K303 WeakPolarHBondContact O-CB 3.45Å; I299-K303 VanDerWaalsContact O-CG 3.3Å; I299-K303 WeakPolarHBondContact O-CG 3.42Å; I299-K303 PolarHBondContact O-N 3.42Å; E300-K303 PolarHBondContact O-N 3.45Å; E300-K303 VanDerWaalsContact O-N 3.14Å; K303-A305 PolarHBondContact O-N 3.12Å; K303-G306 PolarHBondContact O-N 3.48Å; K303-V309 HydrophobicContact CG-CB 4.2Å; K303-V309 HydrophobicContact CG-CG2 3.74Å
304	E	97.2	Very high	96.5	Very high	143 Å²	143	48.4 Å²	48.4	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-64.1	-26.4	176.1	-71.4	177.2	179	0	0	113	R255 E300 A301 L302 G306	R255-E304 IonicContact NH2-OE2 3.1Å; E300-E304 WeakPolarHBondContact O-CG 3.41Å; E300-E304 PolarHBondContact O-N 2.82Å; A301-E304 PolarHBondContact O-N 3Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.02Å; E304-G306 PolarHBondContact O-N 2.76Å
305	A	97.8	Very high	96.8	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	7.7	172.3	0	0	0	0	0	113.8	A251 L254 R255 A301 L302 K303 V307	A251-A305 HydrophobicContact CB-CB 3.88Å; A251-A305 WeakPolarHBondContact O-CB 3.41Å; L254-A305 HydrophobicContact CB-CB 4.34Å; R255-A305 HydrophobicContact CB-CB 4.4Å; A301-A305 PolarHBondContact O-N 3.41Å; A301-A305 VanDerWaalsContact O-N 3.1Å; L302-A305 PolarHBondContact O-N 3.46Å; L302-A305 VanDerWaalsContact O-N 3.15Å; K303-A305 PolarHBondContact O-N 3.12Å; A305-V307 HydrophobicContact CB-CG2 4.48Å
306	G	96.8	Very high	97	Very high	65 Å²	65	51.5 Å²	51.5	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	10.4	179.6	0	0	0	0	0	114.7	L302 K303 E304	L302-G306 PolarHBondContact O-N 2.98Å; K303-G306 PolarHBondContact O-N 3.48Å; E304-G306 PolarHBondContact O-N 2.76Å
307	V	98.3	Very high	97.2	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	28%	0.276	C	S	.	.			trans	-78.1	134.8	178.6	-177.8	0	0	0	0	110.5	L254 V266 A268 L302 A305 V309	L254-V307 HydrophobicContact CD1-CG2 3.55Å; V266-V307 HydrophobicContact CB-CG1 4.09Å; V266-V307 HydrophobicContact CB-CG2 4.12Å; V266-V307 HydrophobicContact CG1-CG1 3.78Å; V266-V307 HydrophobicContact CG1-CG2 4.05Å; A268-V307 HydrophobicContact CB-CG1 3.68Å; L302-V307 HydrophobicContact CB-CB 4.11Å; L302-V307 HydrophobicContact CB-CG1 4.48Å; L302-V307 HydrophobicContact CB-CG2 4.41Å; L302-V307 HydrophobicContact CD2-CB 4.5Å; L302-V307 HydrophobicContact CD2-CG2 4.05Å; L302-V307 WeakPolarHBondContact O-CB 3.43Å; L302-V307 WeakPolarHBondContact O-CG2 3.3Å; L302-V307 PolarHBondContact O-N 3.41Å; A305-V307 HydrophobicContact CB-CG2 4.48Å; V307-V309 HydrophobicContact CG1-CG2 4.4Å; V307-V309 PolarHBondContact O-N 2.71Å
308	T	98.3	Very high	97.4	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.35	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	102.7	171.3	-64.7	0	0	0	0	109.8	V266 V267 A268	V266-T308 PolarHBondContact O-N 2.87Å; V267-T308 CarbonylContact C-O 3.43Å; V267-T308 WeakPolarHBondContact CA-O 3.31Å; V267-T308 HydrophobicContact CG2-CG2 4.36Å; A268-T308 PolarHBondContact N-O 3.39Å
309	V	98.3	Very high	97.4	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.6	179.2	-171.6	0	0	0	0	110.7	A268 I299 L302 K303 V307	A268-V309 HydrophobicContact CB-CG2 4.37Å; A268-V309 CarbonylContact O-C 3.55Å; A268-V309 WeakPolarHBondContact O-CA 3.41Å; I299-V309 HydrophobicContact CB-CG1 4.41Å; I299-V309 HydrophobicContact CG1-CG1 4.04Å; I299-V309 HydrophobicContact CG2-CB 4.34Å; I299-V309 HydrophobicContact CG2-CG1 3.97Å; L302-V309 HydrophobicContact CB-CG2 3.83Å; K303-V309 HydrophobicContact CG-CB 4.2Å; K303-V309 HydrophobicContact CG-CG2 3.74Å; V307-V309 HydrophobicContact CG1-CG2 4.4Å; V307-V309 PolarHBondContact O-N 2.71Å
310	T	97.5	Very high	97.5	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	28%	0.279	C	S	.	.			trans	-83.6	139.3	172.3	172.9	0	0	0	0	110.9	V267 A268 F269 S312 Q315 M316	V267-T310 HydrophobicContact CG1-CG2 4.26Å; A268-T310 WeakPolarHBondContact O-CG2 3.48Å; A268-T310 PolarHBondContact O-N 2.86Å; F269-T310 HydrophobicContact CB-CG2 3.96Å; F269-T310 HydrophobicContact CD2-CG2 4.35Å; T310-S312 PolarHBondContact OG1-N 3.06Å; T310-S312 VanDerWaalsContact OG1-N 3.1Å; T310-S312 PolarHBondContact OG1-O 3.27Å; T310-Q315 WeakPolarHBondContact OG1-CB 3.36Å; T310-M316 HydrophobicContact CG2-CG 3.8Å
311	M	96.5	Very high	97.5	Very high	115 Å²	115	43.1 Å²	43.1	57%	0.567	26%	0.26	S	S	*	.	S	Bend	trans	-87.9	-12	174.1	-59.9	-52.8	-58.8	0	0	112.9	V273 I299	V273-M311 HydrophobicContact CG2-CE 4.49Å; I299-M311 HydrophobicContact CD1-CE 4.22Å; I299-M311 HydrophobicContact CD1-SD 4.39Å
312	S	96.7	Very high	97.5	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-116.2	130.2	177.1	178.9	0	0	0	0	110.5	T310 A314 Q315	T310-S312 PolarHBondContact OG1-N 3.06Å; T310-S312 VanDerWaalsContact OG1-N 3.1Å; T310-S312 PolarHBondContact OG1-O 3.27Å; S312-A314 PolarHBondContact O-N 3.33Å; S312-A314 PolarHBondContact OG-N 2.94Å; S312-Q315 PolarHBondContact O-N 3.14Å
313	P	95.8	Very high	97.4	Very high	50 Å²	50	51.9 Å²	51.9	33%	0.325	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.1	173.4	27.1	-32.9	0	0	0	111.8	L189 Q196 F269 Q315 M316	L189-P313 HydrophobicContact CD2-CB 4.05Å; Q196-P313 PolarHBondContact NE2-O 2.91Å; F269-P313 HydrophobicContact CD1-CB 4.28Å; F269-P313 HydrophobicContact CD2-CB 4.38Å; F269-P313 HydrophobicContact CE1-CB 3.91Å; F269-P313 HydrophobicContact CE2-CB 4.04Å; F269-P313 HydrophobicContact CE2-CG 4.27Å; F269-P313 HydrophobicContact CZ-CB 3.78Å; F269-P313 HydrophobicContact CZ-CG 4.02Å; P313-Q315 PolarHBondContact O-N 2.99Å; P313-M316 VanDerWaalsContact O-CE 3.23Å; P313-M316 WeakPolarHBondContact O-CE 3.4Å
314	A	97.2	Very high	97.2	Very high	65 Å²	65	46.5 Å²	46.5	54%	0.537	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-78.3	-1	178.7	0	0	0	0	0	114.3	Q196 S312	Q196-A314 PolarHBondContact OE1-O 2.84Å; S312-A314 PolarHBondContact O-N 3.33Å; S312-A314 PolarHBondContact OG-N 2.94Å
315	Q	97.7	Very high	97	Very high	101 Å²	101	44.7 Å²	44.7	47%	0.472	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-117.6	9.5	-174.3	-68.6	-179.9	-29.3	0	0	113.3	T310 S312 P313 S318 S319	T310-Q315 WeakPolarHBondContact OG1-CB 3.36Å; S312-Q315 PolarHBondContact O-N 3.14Å; P313-Q315 PolarHBondContact O-N 2.99Å; Q315-S318 PolarHBondContact O-OG 3.32Å; Q315-S319 WeakPolarHBondContact O-CB 3.35Å; Q315-S319 PolarHBondContact O-N 3.05Å; Q315-S319 PolarHBondContact O-OG 3.32Å
316	M	98.1	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-51.6	-179.9	-67.6	-174.7	-75.4	0	0	111.4	E192 A193 I237 I239 F269 T310 P313 S319 I320	E192-M316 HydrophobicContact CB-CE 3.99Å; A193-M316 HydrophobicContact CB-CE 3.71Å; A193-M316 HydrophobicContact CB-SD 4Å; I237-M316 HydrophobicContact CD1-CB 4.46Å; I237-M316 HydrophobicContact CG2-SD 4.26Å; I239-M316 HydrophobicContact CD1-CE 4.26Å; I239-M316 HydrophobicContact CD1-SD 3.88Å; I239-M316 HydrophobicContact CG1-SD 3.97Å; F269-M316 HydrophobicContact CB-CG 4.07Å; F269-M316 HydrophobicContact CB-SD 3.78Å; F269-M316 HydrophobicContact CG-SD 4.45Å; T310-M316 HydrophobicContact CG2-CG 3.8Å; P313-M316 VanDerWaalsContact O-CE 3.23Å; P313-M316 WeakPolarHBondContact O-CE 3.4Å; M316-S319 PolarHBondContact O-N 3.15Å; M316-I320 PolarHBondContact O-N 3.25Å; M316-I320 VanDerWaalsContact O-N 3.08Å
317	G	97.4	Very high	95.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-44.6	-178.1	0	0	0	0	0	113.1	S319 I320 A321	G317-S319 VanDerWaalsContact C-N 3.33Å; G317-S319 PolarHBondContact O-N 2.92Å; G317-I320 VanDerWaalsContact O-CG2 3.28Å; G317-I320 WeakPolarHBondContact O-CG2 3.47Å; G317-I320 PolarHBondContact O-N 3.14Å; G317-A321 VanDerWaalsContact O-CB 3.23Å; G317-A321 WeakPolarHBondContact O-CB 3.34Å; G317-A321 PolarHBondContact O-N 3.2Å
318	S	97.3	Very high	94.2	Very high	55 Å²	55	57.1 Å²	57.1	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-34	178.3	60.8	0	0	0	0	112.7	Q315 K322	Q315-S318 PolarHBondContact O-OG 3.32Å; S318-K322 VanDerWaalsContact O-CG 3.29Å; S318-K322 WeakPolarHBondContact O-CG 3.5Å; S318-K322 PolarHBondContact O-N 2.85Å
319	S	97.8	Very high	92.7	Very high	22 Å²	22	60.1 Å²	60.1	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-47.3	175.6	-60.8	0	0	0	0	111.6	Q315 M316 G317 A321 K322 L323	Q315-S319 WeakPolarHBondContact O-CB 3.35Å; Q315-S319 PolarHBondContact O-N 3.05Å; Q315-S319 PolarHBondContact O-OG 3.32Å; M316-S319 PolarHBondContact O-N 3.15Å; G317-S319 VanDerWaalsContact C-N 3.33Å; G317-S319 PolarHBondContact O-N 2.92Å; S319-A321 VanDerWaalsContact C-N 3.33Å; S319-A321 PolarHBondContact O-N 3.1Å; S319-K322 PolarHBondContact O-N 2.67Å; S319-L323 PolarHBondContact O-N 3.34Å
320	I	98.2	Very high	90.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-35.6	-179.1	-166.9	63.3	0	0	0	111.1	I180 T197 L202 I237 P265 V267 M316 G317 K322 L323 V324	I180-I320 HydrophobicContact CD1-CG1 3.86Å; T197-I320 HydrophobicContact CG2-CG2 3.83Å; L202-I320 HydrophobicContact CD1-CG2 3.86Å; I237-I320 HydrophobicContact CD1-CB 4.44Å; I237-I320 HydrophobicContact CD1-CG2 3.95Å; I237-I320 HydrophobicContact CG1-CB 4.34Å; I237-I320 HydrophobicContact CG1-CG1 4.41Å; I237-I320 HydrophobicContact CG1-CG2 4.36Å; P265-I320 HydrophobicContact CB-CD1 4.18Å; P265-I320 HydrophobicContact CG-CD1 4.39Å; V267-I320 HydrophobicContact CB-CB 4.29Å; V267-I320 HydrophobicContact CB-CD1 4.28Å; V267-I320 HydrophobicContact CG2-CB 3.85Å; V267-I320 HydrophobicContact CG2-CD1 3.82Å; V267-I320 HydrophobicContact CG2-CG1 4.43Å; M316-I320 PolarHBondContact O-N 3.25Å; M316-I320 VanDerWaalsContact O-N 3.08Å; G317-I320 VanDerWaalsContact O-CG2 3.28Å; G317-I320 WeakPolarHBondContact O-CG2 3.47Å; G317-I320 PolarHBondContact O-N 3.14Å; I320-K322 PolarHBondContact O-N 2.94Å; I320-L323 PolarHBondContact O-N 3.09Å; I320-V324 HydrophobicContact CD1-CG2 4.29Å; I320-V324 HydrophobicContact CG1-CG2 4.11Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.18Å
321	A	97.3	Very high	88.6	Confident	10 Å²	10	71.4 Å²	71.4	8%	0.083	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-47.1	175.1	0	0	0	0	0	112.1	A200 L202 G317 S319 L323 V324 Y325	A200-A321 HydrophobicContact CB-CB 4.06Å; L202-A321 HydrophobicContact CD1-CB 3.84Å; G317-A321 VanDerWaalsContact O-CB 3.23Å; G317-A321 WeakPolarHBondContact O-CB 3.34Å; G317-A321 PolarHBondContact O-N 3.2Å; S319-A321 VanDerWaalsContact C-N 3.33Å; S319-A321 PolarHBondContact O-N 3.1Å; A321-L323 VanDerWaalsContact C-N 3.27Å; A321-L323 PolarHBondContact O-N 2.74Å; A321-V324 PolarHBondContact O-N 3.33Å; A321-Y325 HydrophobicContact CB-CD2 4.02Å; A321-Y325 HydrophobicContact CB-CE2 3.9Å; A321-Y325 WeakPolarHBondContact O-CB 3.5Å; A321-Y325 WeakPolarHBondContact O-CD2 3.44Å; A321-Y325 PolarHBondContact O-N 3.19Å
322	K	96.7	Very high	88.3	Confident	153 Å²	153	69.3 Å²	69.3	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-56.7	-41.8	176.5	-74.5	170.4	-176.5	178	0	112	S318 S319 I320 R326	S318-K322 VanDerWaalsContact O-CG 3.29Å; S318-K322 WeakPolarHBondContact O-CG 3.5Å; S318-K322 PolarHBondContact O-N 2.85Å; S319-K322 PolarHBondContact O-N 2.67Å; I320-K322 PolarHBondContact O-N 2.94Å; K322-R326 WeakPolarHBondContact O-CB 3.2Å; K322-R326 PolarHBondContact O-N 3.25Å
323	L	96.1	Very high	87.8	Confident	47 Å²	47	70.8 Å²	70.8	25%	0.246	39%	0.387	C	S	.	.	H	α-helix	trans	-71.3	-48.3	-179.8	-61.2	177.2	0	0	0	112	P265 V267 S319 I320 A321 R326 L327	P265-L323 HydrophobicContact CB-CB 3.59Å; P265-L323 HydrophobicContact CB-CD1 3.99Å; P265-L323 HydrophobicContact CB-CG 4.43Å; P265-L323 HydrophobicContact CG-CB 4.4Å; V267-L323 HydrophobicContact CG2-CD1 3.77Å; S319-L323 PolarHBondContact O-N 3.34Å; I320-L323 PolarHBondContact O-N 3.09Å; A321-L323 VanDerWaalsContact C-N 3.27Å; A321-L323 PolarHBondContact O-N 2.74Å; L323-R326 PolarHBondContact O-N 2.98Å; L323-L327 PolarHBondContact O-N 2.97Å
324	V	94.5	Very high	87.4	Confident	2 Å²	2	72 Å²	72	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-44.9	-178.2	172.8	0	0	0	0	111.2	I180 L202 P265 I320 A321 L327 H328	I180-V324 HydrophobicContact CD1-CG2 4.11Å; L202-V324 HydrophobicContact CD2-CB 4.42Å; L202-V324 HydrophobicContact CD2-CG1 4.09Å; P265-V324 HydrophobicContact CG-CG2 3.7Å; I320-V324 HydrophobicContact CD1-CG2 4.29Å; I320-V324 HydrophobicContact CG1-CG2 4.11Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.18Å; A321-V324 PolarHBondContact O-N 3.33Å; V324-L327 PolarHBondContact O-N 3.47Å; V324-H328 PolarHBondContact O-N 3.2Å; V324-H328 PolarHBondContact O-ND1 2.92Å
325	Y	92.6	Very high	86.8	Confident	106 Å²	106	72.4 Å²	72.4	42%	0.416	38%	0.382	S	S	.	.	H	α-helix	trans	-70.1	-32.1	179.6	-67.2	-48.6	0	0	0	112.9	A200 L202 A321 L327 H328 T329	A200-Y325 PolarHBondContact O-OH 3.25Å; L202-Y325 HydrophobicContact CD2-CE1 4.02Å; L202-Y325 HydrophobicContact CD2-CE2 4.15Å; A321-Y325 HydrophobicContact CB-CD2 4.02Å; A321-Y325 HydrophobicContact CB-CE2 3.9Å; A321-Y325 WeakPolarHBondContact O-CB 3.5Å; A321-Y325 WeakPolarHBondContact O-CD2 3.44Å; A321-Y325 PolarHBondContact O-N 3.19Å; Y325-L327 VanDerWaalsContact C-N 3.3Å; Y325-L327 PolarHBondContact O-N 3.37Å; Y325-H328 PolarHBondContact O-N 2.98Å; Y325-H328 VanDerWaalsContact O-N 3.15Å; Y325-T329 PolarHBondContact O-N 3.46Å; Y325-T329 PolarHBondContact O-OG1 3.47Å; Y325-T329 VanDerWaalsContact O-OG1 3.04Å
326	R	87.7	Confident	86.1	Confident	171 Å²	171	70.6 Å²	70.6	65%	0.645	38%	0.376	S	S	*	.	H	α-helix	trans	-61.5	-38.9	174.1	-175.9	176.6	-176.9	-176.7	1.1	112.1	K322 L323 H328 T329 I330	K322-R326 WeakPolarHBondContact O-CB 3.2Å; K322-R326 PolarHBondContact O-N 3.25Å; L323-R326 PolarHBondContact O-N 2.98Å; R326-H328 VanDerWaalsContact C-N 3.28Å; R326-H328 PolarHBondContact O-N 3.21Å; R326-T329 PolarHBondContact O-N 3.23Å; R326-I330 HydrophobicContact CG-CD1 3.87Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 3.03Å
327	L	77.5	Confident	85.3	Confident	88 Å²	88	75.3 Å²	75.3	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-32.6	176	-67	172.9	0	0	0	112.4	P265 L323 V324 Y325 T329 A331	P265-L327 HydrophobicContact CG-CD1 3.94Å; L323-L327 PolarHBondContact O-N 2.97Å; V324-L327 PolarHBondContact O-N 3.47Å; Y325-L327 VanDerWaalsContact C-N 3.3Å; Y325-L327 PolarHBondContact O-N 3.37Å; L327-T329 VanDerWaalsContact C-N 3.34Å; L327-A331 WeakPolarHBondContact O-CB 3.35Å; L327-A331 PolarHBondContact O-N 3.18Å
328	H	69.2	Low	84.4	Confident	92 Å²	92	80.7 Å²	80.7	43%	0.426	43%	0.43	S	S	.	.	H	α-helix	trans	-77.4	-17.3	176.3	-70.4	80.7	0	0	0	114.1	R234 V324 Y325 R326	R234-H328 PolarHBondContact NH1-CE1 2.89Å; R234-H328 PolarHBondContact NH1-NE2 2.66Å; V324-H328 PolarHBondContact O-N 3.2Å; V324-H328 PolarHBondContact O-ND1 2.92Å; Y325-H328 PolarHBondContact O-N 2.98Å; Y325-H328 VanDerWaalsContact O-N 3.15Å; R326-H328 VanDerWaalsContact C-N 3.28Å; R326-H328 PolarHBondContact O-N 3.21Å
329	T	67	Low	83.5	Confident	119 Å²	119	82.7 Å²	82.7	73%	0.73	43%	0.433	S	S	*	.	H	α-helix	trans	-88.6	-16.9	176.6	-46.2	0	0	0	0	111.6	Y325 R326 L327	Y325-T329 PolarHBondContact O-N 3.46Å; Y325-T329 PolarHBondContact O-OG1 3.47Å; Y325-T329 VanDerWaalsContact O-OG1 3.04Å; R326-T329 PolarHBondContact O-N 3.23Å; L327-T329 VanDerWaalsContact C-N 3.34Å
330	I	60.1	Low	82.3	Confident	126 Å²	126	87.8 Å²	87.8	65%	0.646	46%	0.457	S	S	*	.	H	α-helix	trans	-100.7	-23.4	-177.8	-62.2	170.6	0	0	0	111.7	R326	R326-I330 HydrophobicContact CG-CD1 3.87Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 3.03Å
331	A	50.2	Low	80.8	Confident	139 Å²	139	95.7 Å²	95.7	100%	1.149	50%	0.498	S	S	*	.			trans	-88	0	172	0	0	0	0	0	111.5	L327	L327-A331 WeakPolarHBondContact O-CB 3.35Å; L327-A331 PolarHBondContact O-N 3.18Å

Retrieved 331 of 331 residues in 389.4 ms (Link to these results)

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