A0A3Q0KCS1_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 324 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	52.6	Low	234 Å²	234	116.8 Å²	116.8	100%	1.153	60%	0.602	S	S	*	*				0	118.1	0	-68.9	172	-177.5	0	0	105.1
2	G	49.3	Very low	52.2	Low	36 Å²	36	116.1 Å²	116.1	37%	0.371	61%	0.614	S	S	.	*			trans	-51.8	137.4	-159.5	0	0	0	0	0	114.6	C4	G2-C4 PolarHBondContact O-N 3.06Å; G2-C4 VanDerWaalsContact O-N 3.13Å
3	N	54.2	Low	51.6	Low	132 Å²	132	116.3 Å²	116.3	71%	0.706	63%	0.631	S	S	*	*			trans	-74.6	8.3	-179.7	-80.9	37.3	0	0	0	113.8	L5	N3-L5 PolarHBondContact O-N 3.04Å
4	C	60.4	Low	51.1	Low	13 Å²	13	114.5 Å²	114.5	9%	0.088	64%	0.64	C	S	.	*			trans	-64.7	115.5	176.2	-167.4	0	0	0	0	108.9	G2 R6 C7 C94 C117	G2-C4 PolarHBondContact O-N 3.06Å; G2-C4 VanDerWaalsContact O-N 3.13Å; C4-R6 PolarHBondContact O-N 2.91Å; C4-C7 PolarHBondContact O-N 3.47Å; C4-C94 HydrophobicContact CB-CB 3.48Å; C4-C94 VanDerWaalsContact CB-CB 3.48Å; C4-C117 VanDerWaalsContact CB-SG 3.57Å
5	L	58.2	Low	50.8	Low	135 Å²	135	117.2 Å²	117.2	71%	0.707	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	179.2	-69.4	169.5	0	0	0	112.7	N3	N3-L5 PolarHBondContact O-N 3.04Å
6	R	55.3	Low	50.8	Low	105 Å²	105	118.6 Å²	118.6	40%	0.396	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	-35.6	-174.3	-157.6	161.7	160.9	164.9	-11.3	113.9	C4 R8 N9 E99 E102	C4-R6 PolarHBondContact O-N 2.91Å; R6-R8 PolarHBondContact O-N 3.33Å; R6-R8 VanDerWaalsContact O-N 3.12Å; R6-N9 PolarHBondContact O-N 3.4Å; R6-E99 IonicContact CZ-OE2 3.94Å; R6-E99 IonicContact NE-OE2 3.67Å; R6-E99 PolarHBondContact NE-OE2 3.22Å; R6-E99 IonicContact NH2-OE2 3.27Å; R6-E99 PolarHBondContact NH2-OE2 3.44Å; R6-E102 WeakPolarHBondContact CD-OE1 3.34Å; R6-E102 VanDerWaalsContact CZ-CD 3.49Å; R6-E102 IonicContact CZ-OE1 2.87Å; R6-E102 IonicContact NE-OE1 2.59Å; R6-E102 PolarHBondContact NE-OE1 3.08Å; R6-E102 IonicContact NH1-OE1 3.42Å; R6-E102 PolarHBondContact NH1-OE1 3.35Å; R6-E102 IonicContact NH2-OE1 3.69Å
7	C	59.8	Low	50.5	Low	45 Å²	45	116 Å²	116	30%	0.304	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-16.7	174.7	-52.6	0	0	0	0	113.3	C4 N9 C96	C4-C7 PolarHBondContact O-N 3.47Å; C7-N9 VanDerWaalsContact C-N 3.28Å; C7-N9 PolarHBondContact O-N 3.09Å; C7-C96 HydrophobicContact CB-CB 4.39Å; C7-C96 WeakPolarHBondContact CB-SG 3.44Å; C7-C96 WeakPolarHBondContact SG-CB 3.42Å; C7-C96 CovalentContact SG-SG 2.01Å; C7-C96 PolarHBondContact SG-SG 3.13Å
8	R	55.2	Low	50.8	Low	201 Å²	201	113.2 Å²	113.2	76%	0.758	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-9.9	-178.2	-108.4	176.2	139.1	173.9	-6.4	114.1	R6	R6-R8 PolarHBondContact O-N 3.33Å; R6-R8 VanDerWaalsContact O-N 3.12Å
9	N	47.8	Very low	51.6	Low	133 Å²	133	110.9 Å²	110.9	71%	0.711	64%	0.644	S	S	*	*	S	Bend	trans	-107.2	-2.2	-165	-70.8	-12.1	0	0	0	116.1	R6 C7	R6-N9 PolarHBondContact O-N 3.4Å; C7-N9 VanDerWaalsContact C-N 3.28Å; C7-N9 PolarHBondContact O-N 3.09Å
10	T	50.3	Low	52.5	Low	102 Å²	102	110.5 Å²	110.5	63%	0.626	64%	0.639	S	S	*	*	S	Bend	trans	-92.9	-18.5	179.7	57.6	0	0	0	0	114.9
11	D	47.3	Very low	53.6	Low	149 Å²	149	108 Å²	108	80%	0.797	63%	0.632	S	S	*	*	S	Bend	trans	-115	27.4	-174.6	-75.2	-3.7	0	0	0	114.7
12	S	47.2	Very low	55	Low	108 Å²	108	102.3 Å²	102.3	76%	0.755	60%	0.602	S	S	*	*			trans	-132.5	52.4	172.3	-75	0	0	0	0	113	A14	S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.87Å
13	S	44.6	Very low	56.1	Low	119 Å²	119	105.2 Å²	105.2	83%	0.832	61%	0.609	S	S	*	*			trans	-92.6	63.8	157.4	65.3	0	0	0	0	110.2
14	A	44.7	Very low	57.1	Low	91 Å²	91	106 Å²	106	75%	0.752	60%	0.602	S	S	*	*			trans	-167.6	55.7	165.7	0	0	0	0	0	111.3	S12	S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.87Å
15	D	47	Very low	57.8	Low	155 Å²	155	110.8 Å²	110.8	83%	0.829	63%	0.626	S	S	*	*			trans	-118.6	94.6	152.6	-157.7	15.5	0	0	0	107.9	G17	D15-G17 PolarHBondContact O-N 3.42Å
16	V	51.1	Low	58.7	Low	139 Å²	139	107.8 Å²	107.8	84%	0.842	61%	0.609	S	S	*	*			trans	-78.7	113.3	178.5	174.5	0	0	0	0	107.2
17	G	45.2	Very low	59.6	Low	75 Å²	75	105.8 Å²	105.8	77%	0.773	61%	0.611	S	S	*	*			trans	86.4	58.4	148.3	0	0	0	0	0	117	D15	D15-G17 PolarHBondContact O-N 3.42Å
18	N	55.4	Low	60.1	Low	65 Å²	65	109.3 Å²	109.3	35%	0.348	62%	0.623	S	S	.	*			trans	-95.4	111.5	147.4	-157.5	17.1	0	0	0	108.1	D20 Q22 L23	N18-D20 PolarHBondContact O-N 3.23Å; N18-Q22 VanDerWaalsContact OD1-CB 3.26Å; N18-Q22 WeakPolarHBondContact OD1-CB 3.44Å; N18-Q22 VanDerWaalsContact OD1-CG 3.25Å; N18-Q22 WeakPolarHBondContact OD1-CG 3.38Å; N18-Q22 PolarHBondContact OD1-NE2 3.44Å; N18-Q22 PolarHBondContact OD1-OE1 3.43Å; N18-L23 HydrophobicContact CB-CD2 4.4Å; N18-L23 HydrophobicContact CB-CG 4.47Å
19	S	65.9	Low	60.8	Low	71 Å²	71	106.9 Å²	106.9	50%	0.497	61%	0.613	S	S	.	*			trans	-55.7	141.4	-178.9	66.4	0	0	0	0	110.7	A21 Q22 L23	S19-A21 PolarHBondContact O-N 2.63Å; S19-Q22 WeakPolarHBondContact O-CB 3.49Å; S19-Q22 PolarHBondContact O-N 3.25Å; S19-L23 PolarHBondContact O-N 3.03Å
20	D	71	Confident	61.9	Low	101 Å²	101	108.3 Å²	108.3	54%	0.54	61%	0.609	S	S	.	*	H	α-helix	trans	-50.8	-32.7	-176.3	176.1	95	0	0	0	113.4	N18 Q22 L23 R24	N18-D20 PolarHBondContact O-N 3.23Å; D20-Q22 PolarHBondContact O-N 3.19Å; D20-L23 PolarHBondContact O-N 3.44Å; D20-R24 PolarHBondContact O-N 2.93Å; D20-R24 IonicContact OD1-NH1 3.34Å; D20-R24 PolarHBondContact OD1-NH1 3.36Å; D20-R24 IonicContact OD2-CZ 2.98Å; D20-R24 IonicContact OD2-NH1 3.4Å; D20-R24 PolarHBondContact OD2-NH1 3.01Å
21	A	74.2	Confident	62.5	Low	58 Å²	58	113.3 Å²	113.3	48%	0.479	62%	0.616	S	S	.	*	H	α-helix	trans	-63.1	-38.7	173.9	0	0	0	0	0	113.4	S19 R24 L25	S19-A21 PolarHBondContact O-N 2.63Å; A21-R24 PolarHBondContact O-N 2.87Å; A21-L25 WeakPolarHBondContact O-CG 3.33Å; A21-L25 PolarHBondContact O-N 3.44Å
22	Q	70.7	Confident	63.3	Low	115 Å²	115	110.7 Å²	110.7	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-74.3	-32.8	-179.4	-164.3	169.6	-18.7	0	0	111.3	N18 S19 D20 E26	N18-Q22 VanDerWaalsContact OD1-CB 3.26Å; N18-Q22 WeakPolarHBondContact OD1-CB 3.44Å; N18-Q22 VanDerWaalsContact OD1-CG 3.25Å; N18-Q22 WeakPolarHBondContact OD1-CG 3.38Å; N18-Q22 PolarHBondContact OD1-NE2 3.44Å; N18-Q22 PolarHBondContact OD1-OE1 3.43Å; S19-Q22 WeakPolarHBondContact O-CB 3.49Å; S19-Q22 PolarHBondContact O-N 3.25Å; D20-Q22 PolarHBondContact O-N 3.19Å; Q22-E26 WeakPolarHBondContact O-CB 3.35Å; Q22-E26 PolarHBondContact O-N 2.86Å
23	L	73.3	Confident	64.2	Low	97 Å²	97	114.1 Å²	114.1	51%	0.508	61%	0.606	S	S	.	*	H	α-helix	trans	-66.1	-41.8	170.1	-67.5	175.8	0	0	0	111.6	N18 S19 D20 S27	N18-L23 HydrophobicContact CB-CD2 4.4Å; N18-L23 HydrophobicContact CB-CG 4.47Å; S19-L23 PolarHBondContact O-N 3.03Å; D20-L23 PolarHBondContact O-N 3.44Å; L23-S27 VanDerWaalsContact O-CB 3.23Å; L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 2.86Å; L23-S27 PolarHBondContact O-OG 3.36Å
24	R	74.7	Confident	64.6	Low	150 Å²	150	113.4 Å²	113.4	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-60.7	-53.6	174.7	-78.6	179.5	149.3	106.3	1.5	111.6	D20 A21 E26 S27 E28	D20-R24 PolarHBondContact O-N 2.93Å; D20-R24 IonicContact OD1-NH1 3.34Å; D20-R24 PolarHBondContact OD1-NH1 3.36Å; D20-R24 IonicContact OD2-CZ 2.98Å; D20-R24 IonicContact OD2-NH1 3.4Å; D20-R24 PolarHBondContact OD2-NH1 3.01Å; A21-R24 PolarHBondContact O-N 2.87Å; R24-E26 VanDerWaalsContact C-N 3.34Å; R24-E26 PolarHBondContact O-N 3.27Å; R24-S27 PolarHBondContact O-N 3.37Å; R24-S27 VanDerWaalsContact O-N 3.14Å; R24-S27 PolarHBondContact O-OG 2.85Å; R24-E28 WeakPolarHBondContact O-CG 3.09Å; R24-E28 PolarHBondContact O-N 2.81Å
25	L	74.8	Confident	64.7	Low	113 Å²	113	112.9 Å²	112.9	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-60	-41.2	178.2	-73.1	168.6	0	0	0	112.6	A21 E28 R29	A21-L25 WeakPolarHBondContact O-CG 3.33Å; A21-L25 PolarHBondContact O-N 3.44Å; L25-E28 PolarHBondContact O-N 3.45Å; L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.2Å; L25-R29 PolarHBondContact O-N 2.76Å
26	E	77.2	Confident	65.1	Low	72 Å²	72	111.9 Å²	111.9	34%	0.336	58%	0.583	S	S	.	*	H	α-helix	trans	-68.6	-36.4	177.4	-175.7	60.7	-164.3	0	0	111.7	Q22 R24 R30	Q22-E26 WeakPolarHBondContact O-CB 3.35Å; Q22-E26 PolarHBondContact O-N 2.86Å; R24-E26 VanDerWaalsContact C-N 3.34Å; R24-E26 PolarHBondContact O-N 3.27Å; E26-R30 WeakPolarHBondContact O-CB 3.1Å; E26-R30 VanDerWaalsContact O-CG 3.26Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 3.27Å; E26-R30 IonicContact OE1-CZ 2.72Å; E26-R30 IonicContact OE1-NE 2.65Å; E26-R30 PolarHBondContact OE1-NE 3.4Å; E26-R30 IonicContact OE1-NH2 3.25Å; E26-R30 PolarHBondContact OE1-NH2 3.2Å
27	S	74.3	Confident	65.3	Low	63 Å²	63	115.2 Å²	115.2	44%	0.441	58%	0.582	S	S	.	*	H	α-helix	trans	-65.9	-40.4	174.2	76.8	0	0	0	0	112.1	L23 R24 R30 R31	L23-S27 VanDerWaalsContact O-CB 3.23Å; L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 2.86Å; L23-S27 PolarHBondContact O-OG 3.36Å; R24-S27 PolarHBondContact O-N 3.37Å; R24-S27 VanDerWaalsContact O-N 3.14Å; R24-S27 PolarHBondContact O-OG 2.85Å; S27-R30 PolarHBondContact O-N 3.35Å; S27-R31 VanDerWaalsContact O-CB 3.28Å; S27-R31 WeakPolarHBondContact O-CB 3.44Å; S27-R31 PolarHBondContact O-N 2.89Å
28	E	69.9	Low	66	Low	119 Å²	119	117.8 Å²	117.8	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-69.1	-41.1	176.5	-72.6	175	172.1	0	0	111.9	R24 L25 R30 R31 S32	R24-E28 WeakPolarHBondContact O-CG 3.09Å; R24-E28 PolarHBondContact O-N 2.81Å; L25-E28 PolarHBondContact O-N 3.45Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.21Å; E28-R31 PolarHBondContact O-N 3.39Å; E28-S32 PolarHBondContact O-N 3.46Å; E28-S32 PolarHBondContact O-OG 3.08Å
29	R	71	Confident	66.5	Low	149 Å²	149	121.4 Å²	121.4	56%	0.562	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-31.6	176.5	-160.4	178.6	-170.3	-147.3	5.5	112.4	L25 S32 R33	L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.2Å; L25-R29 PolarHBondContact O-N 2.76Å; R29-S32 WeakPolarHBondContact CA-OG 3.27Å; R29-S32 PolarHBondContact O-OG 3.08Å; R29-S32 VanDerWaalsContact O-OG 3.14Å; R29-R33 WeakPolarHBondContact O-CG 3.27Å
30	R	70.3	Confident	67.3	Low	164 Å²	164	125.6 Å²	125.6	62%	0.619	60%	0.604	S	S	*	*	H	α-helix	trans	-72.4	-42.4	170.2	-74.8	173.9	-168.5	-98.8	-4.9	111.5	E26 S27 E28 S32 R33	E26-R30 WeakPolarHBondContact O-CB 3.1Å; E26-R30 VanDerWaalsContact O-CG 3.26Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 3.27Å; E26-R30 IonicContact OE1-CZ 2.72Å; E26-R30 IonicContact OE1-NE 2.65Å; E26-R30 PolarHBondContact OE1-NE 3.4Å; E26-R30 IonicContact OE1-NH2 3.25Å; E26-R30 PolarHBondContact OE1-NH2 3.2Å; S27-R30 PolarHBondContact O-N 3.35Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.21Å; R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3.08Å; R30-R33 PolarHBondContact O-N 2.8Å
31	R	63.3	Low	68.1	Low	207 Å²	207	122.5 Å²	122.5	78%	0.781	59%	0.587	S	S	*	*	H	α-helix	trans	-65.6	-34.3	-178.7	-166	161.5	-88.5	-143.5	-6	112.4	S27 E28	S27-R31 VanDerWaalsContact O-CB 3.28Å; S27-R31 WeakPolarHBondContact O-CB 3.44Å; S27-R31 PolarHBondContact O-N 2.89Å; E28-R31 PolarHBondContact O-N 3.39Å
32	S	64	Low	68.8	Low	94 Å²	94	123 Å²	123	66%	0.657	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-18.9	175.7	46.3	0	0	0	0	114.7	E28 R29 R30	E28-S32 PolarHBondContact O-N 3.46Å; E28-S32 PolarHBondContact O-OG 3.08Å; R29-S32 WeakPolarHBondContact CA-OG 3.27Å; R29-S32 PolarHBondContact O-OG 3.08Å; R29-S32 VanDerWaalsContact O-OG 3.14Å; R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3.08Å
33	R	64.9	Low	69.7	Low	180 Å²	180	123 Å²	123	68%	0.679	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-3.7	177.1	-78.6	-173.1	-171	-134.9	1.9	114.5	R29 R30 P35	R29-R33 WeakPolarHBondContact O-CG 3.27Å; R30-R33 PolarHBondContact O-N 2.8Å; R33-P35 WeakPolarHBondContact O-CD 3.32Å
34	L	54	Low	70.7	Confident	104 Å²	104	119.9 Å²	119.9	55%	0.545	57%	0.571	S	S	.	*	S	Bend	trans	-89	114.2	-179.5	-65.8	169.5	0	0	0	109.1	F38	L34-F38 HydrophobicContact CB-CD2 4.12Å; L34-F38 HydrophobicContact CB-CE2 3.99Å; L34-F38 HydrophobicContact CD2-CD2 4Å; L34-F38 HydrophobicContact CD2-CE2 3.46Å; L34-F38 VanDerWaalsContact CD2-CE2 3.46Å; L34-F38 HydrophobicContact CD2-CZ 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.33Å
35	P	45.7	Very low	71.5	Confident	80 Å²	80	114.5 Å²	114.5	52%	0.519	55%	0.552	S	S	.	*			trans	-45.2	145.8	169	-31	28.2	0	0	0	113.1	R33 Y37 F38	R33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-Y37 PolarHBondContact O-N 3.35Å; P35-F38 HydrophobicContact CG-CE2 4.27Å
36	P	55.7	Low	72.1	Confident	134 Å²	134	109.5 Å²	109.5	87%	0.87	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	4.7	-164.3	-14.3	29.6	0	0	0	115.9
37	Y	56.9	Low	72.6	Confident	208 Å²	208	109 Å²	109	82%	0.816	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	65.3	177.2	-120.8	-93.9	0	0	0	108.3	P35 E39	P35-Y37 PolarHBondContact O-N 3.35Å; Y37-E39 PolarHBondContact O-N 3.28Å
38	F	58.2	Low	73	Confident	129 Å²	129	111.3 Å²	111.3	57%	0.566	54%	0.542	S	S	*	.			trans	-65.4	90.4	149.5	-82.2	-78.5	0	0	0	105.7	L34 P35 N40	L34-F38 HydrophobicContact CB-CD2 4.12Å; L34-F38 HydrophobicContact CB-CE2 3.99Å; L34-F38 HydrophobicContact CD2-CD2 4Å; L34-F38 HydrophobicContact CD2-CE2 3.46Å; L34-F38 VanDerWaalsContact CD2-CE2 3.46Å; L34-F38 HydrophobicContact CD2-CZ 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.33Å; P35-F38 HydrophobicContact CG-CE2 4.27Å; F38-N40 PolarHBondContact O-N 2.71Å
39	E	67.5	Low	73.9	Confident	141 Å²	141	109.7 Å²	109.7	66%	0.659	56%	0.557	S	S	*	*			trans	-45.3	108.8	163.4	-159.2	165.6	-170.6	0	0	105.5	Y37 D41	Y37-E39 PolarHBondContact O-N 3.28Å; E39-D41 HydrophobicContact CG-CB 4.23Å; E39-D41 PolarHBondContact O-N 3.09Å
40	N	81.6	Confident	74.8	Confident	159 Å²	159	105.3 Å²	105.3	85%	0.85	55%	0.547	S	S	*	.			trans	-72	64	174.6	-68	-66	0	0	0	106.7	F38 P42	F38-N40 PolarHBondContact O-N 2.71Å; N40-P42 WeakPolarHBondContact O-CD 3.39Å
41	D	87.3	Confident	75.9	Confident	36 Å²	36	100.8 Å²	100.8	19%	0.193	54%	0.541	C	S	.	.			trans	-89.2	100.2	178.9	-166.2	-9.1	0	0	0	107.3	E39 I43 P53 M54 S55	E39-D41 HydrophobicContact CG-CB 4.23Å; E39-D41 PolarHBondContact O-N 3.09Å; D41-I43 PolarHBondContact O-N 2.88Å; D41-P53 HydrophobicContact CB-CB 4.17Å; D41-P53 WeakPolarHBondContact OD2-CB 3.46Å; D41-M54 WeakPolarHBondContact OD1-CA 3.07Å; D41-M54 WeakPolarHBondContact OD1-CB 3.5Å; D41-M54 PolarHBondContact OD1-N 3.28Å; D41-S55 PolarHBondContact OD1-N 3.44Å; D41-S55 WeakPolarHBondContact OD2-CB 3.34Å; D41-S55 PolarHBondContact OD2-N 3.23Å; D41-S55 VanDerWaalsContact OD2-N 3.17Å; D41-S55 PolarHBondContact OD2-OG 2.8Å
42	P	89.1	Confident	77.3	Confident	68 Å²	68	96 Å²	96	44%	0.442	52%	0.523	S	S	.	.			trans	-70.2	134	-168.3	33.4	-37.7	0	0	0	109.7	N40 M44 M54	N40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-M44 HydrophobicContact CB-CE 3.42Å; P42-M44 VanDerWaalsContact CB-CE 3.42Å; P42-M44 HydrophobicContact CG-CE 3.67Å; P42-M44 PolarHBondContact O-N 2.82Å; P42-M54 HydrophobicContact CG-CB 4.22Å; P42-M54 PolarHBondContact O-N 3.49Å; P42-M54 VanDerWaalsContact O-N 3.16Å
43	I	90.9	Very high	78.7	Confident	115 Å²	115	93 Å²	93	59%	0.59	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.4	177.4	-60.4	173.6	0	0	0	109.1	D41	D41-I43 PolarHBondContact O-N 2.88Å
44	M	92.9	Very high	80	Confident	33 Å²	33	87.5 Å²	87.5	16%	0.163	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	161.2	178.2	-62.9	-62.6	123.5	0	0	111.8	P42 P46 S51 R52 M54 L57 I65 M123	P42-M44 HydrophobicContact CB-CE 3.42Å; P42-M44 VanDerWaalsContact CB-CE 3.42Å; P42-M44 HydrophobicContact CG-CE 3.67Å; P42-M44 PolarHBondContact O-N 2.82Å; M44-P46 WeakPolarHBondContact O-CD 3.44Å; M44-S51 WeakPolarHBondContact O-CA 3.1Å; M44-R52 PolarHBondContact N-O 3.43Å; M44-R52 PolarHBondContact O-N 3.48Å; M44-M54 HydrophobicContact CG-SD 3.87Å; M44-L57 HydrophobicContact CB-CD1 3.71Å; M44-L57 HydrophobicContact CG-CD1 4Å; M44-I65 HydrophobicContact CB-CD1 3.8Å; M44-I65 HydrophobicContact CG-CD1 4.33Å; M44-I65 HydrophobicContact SD-CG2 4.19Å; M44-M123 HydrophobicContact SD-CE 4.33Å
45	H	91.5	Very high	81.9	Confident	36 Å²	36	86.4 Å²	86.4	17%	0.167	48%	0.484	C	S	.	.			trans	-118.6	90.4	-179.7	-49.1	-70.1	0	0	0	110	V50 S51 R68 R124	H45-V50 WeakPolarHBondContact CA-O 3.47Å; H45-S51 PolarHBondContact CE1-OG 3.29Å; H45-S51 PolarHBondContact ND1-OG 2.95Å; H45-R68 PolarHBondContact O-NH1 3.42Å; H45-R68 PolarHBondContact O-NH2 3.03Å; H45-R124 HydrophobicContact CB-CG 4.29Å; H45-R124 VanDerWaalsContact CD2-CG 3.42Å; H45-R124 WeakPolarHBondContact CD2-CG 3.47Å; H45-R124 PolarHBondContact NE2-NE 2.82Å; H45-R124 VanDerWaalsContact NE2-NE 3.15Å
46	P	88.4	Confident	84.2	Confident	8 Å²	8	87.2 Å²	87.2	5%	0.052	48%	0.482	C	S	.	.	S	Bend	trans	-70.3	-31.8	-177.6	25.6	-34	0	0	0	113.4	M44 V50 L57 E61 I65	M44-P46 WeakPolarHBondContact O-CD 3.44Å; P46-V50 HydrophobicContact CG-CB 4.28Å; P46-V50 HydrophobicContact CG-CG1 3.87Å; P46-L57 HydrophobicContact CB-CD2 3.95Å; P46-L57 HydrophobicContact CG-CD2 3.7Å; P46-E61 HydrophobicContact CB-CB 4.04Å; P46-E61 HydrophobicContact CB-CG 3.77Å; P46-I65 HydrophobicContact CB-CD1 4.39Å
47	T	87	Confident	86	Confident	61 Å²	61	81.3 Å²	81.3	37%	0.374	44%	0.443	S	S	.	.	S	Bend	trans	-143.5	162.6	176.1	57.9	0	0	0	0	110.1	G49 V50	T47-G49 PolarHBondContact O-N 3.45Å; T47-V50 PolarHBondContact O-N 3.34Å; T47-V50 WeakPolarHBondContact OG1-CB 3.48Å; T47-V50 VanDerWaalsContact OG1-CG2 3.27Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.28Å
48	P	83.7	Confident	87.9	Confident	112 Å²	112	74.7 Å²	74.7	73%	0.727	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	127.5	175.2	-25.8	35.5	0	0	0	111.8	V50	P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 2.71Å
49	G	87.5	Confident	89.7	Confident	85 Å²	85	75.4 Å²	75.4	88%	0.876	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-11.9	178.2	0	0	0	0	0	115.6	T47	T47-G49 PolarHBondContact O-N 3.45Å
50	V	91.3	Very high	91	Very high	58 Å²	58	73.7 Å²	73.7	35%	0.352	42%	0.421	S	S	.	.			trans	-100.6	128.7	176.3	-178.7	0	0	0	0	109.3	H45 P46 T47 P48 R52	H45-V50 WeakPolarHBondContact CA-O 3.47Å; P46-V50 HydrophobicContact CG-CB 4.28Å; P46-V50 HydrophobicContact CG-CG1 3.87Å; T47-V50 PolarHBondContact O-N 3.34Å; T47-V50 WeakPolarHBondContact OG1-CB 3.48Å; T47-V50 VanDerWaalsContact OG1-CG2 3.27Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.28Å; P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 2.71Å; V50-R52 HydrophobicContact CG1-CG 4.25Å
51	S	92.5	Very high	91.6	Very high	68 Å²	68	67.7 Å²	67.7	48%	0.476	39%	0.388	S	S	.	.			trans	-134	123.6	175.6	-54	0	0	0	0	109.2	M44 H45	M44-S51 WeakPolarHBondContact O-CA 3.1Å; H45-S51 PolarHBondContact CE1-OG 3.29Å; H45-S51 PolarHBondContact ND1-OG 2.95Å
52	R	93	Very high	92	Very high	108 Å²	108	69.5 Å²	69.5	41%	0.408	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.2	-179	-64.5	-177.5	75.9	179.5	2.4	109.7	M44 V50 Q56 L57	M44-R52 PolarHBondContact N-O 3.43Å; M44-R52 PolarHBondContact O-N 3.48Å; V50-R52 HydrophobicContact CG1-CG 4.25Å; R52-Q56 HydrophobicContact CB-CB 4.44Å; R52-L57 HydrophobicContact CB-CD2 4.43Å
53	P	93.7	Very high	92.2	Very high	31 Å²	31	70.2 Å²	70.2	20%	0.201	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	155.3	174.1	29.2	-36.2	0	0	0	111.3	D41 S55 Q56	D41-P53 HydrophobicContact CB-CB 4.17Å; D41-P53 WeakPolarHBondContact OD2-CB 3.46Å; P53-S55 VanDerWaalsContact C-N 3.26Å; P53-S55 PolarHBondContact O-N 2.94Å; P53-Q56 HydrophobicContact CG-CB 4.09Å; P53-Q56 HydrophobicContact CG-CG 3.79Å; P53-Q56 PolarHBondContact O-N 2.89Å
54	M	92.3	Very high	92.2	Very high	64 Å²	64	68.2 Å²	68.2	32%	0.315	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-57.7	-37.3	-176.6	-169.4	71.6	174.2	0	0	112.2	D41 P42 M44 Q56 L57 Q62	D41-M54 WeakPolarHBondContact OD1-CA 3.07Å; D41-M54 WeakPolarHBondContact OD1-CB 3.5Å; D41-M54 PolarHBondContact OD1-N 3.28Å; P42-M54 HydrophobicContact CG-CB 4.22Å; P42-M54 PolarHBondContact O-N 3.49Å; P42-M54 VanDerWaalsContact O-N 3.16Å; M44-M54 HydrophobicContact CG-SD 3.87Å; M54-Q56 PolarHBondContact O-N 3.34Å; M54-L57 PolarHBondContact O-N 2.89Å; M54-L57 HydrophobicContact SD-CD1 3.72Å; M54-Q62 HydrophobicContact CE-CB 4.23Å; M54-Q62 HydrophobicContact CE-CG 3.91Å; M54-Q62 HydrophobicContact SD-CG 4.39Å
55	S	93.4	Very high	92.3	Very high	80 Å²	80	66.8 Å²	66.8	56%	0.559	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.2	-22.1	176.9	62.7	0	0	0	0	114.7	D41 P53	D41-S55 PolarHBondContact OD1-N 3.44Å; D41-S55 WeakPolarHBondContact OD2-CB 3.34Å; D41-S55 PolarHBondContact OD2-N 3.23Å; D41-S55 VanDerWaalsContact OD2-N 3.17Å; D41-S55 PolarHBondContact OD2-OG 2.8Å; P53-S55 VanDerWaalsContact C-N 3.26Å; P53-S55 PolarHBondContact O-N 2.94Å
56	Q	94.9	Very high	92.4	Very high	98 Å²	98	67.8 Å²	67.8	46%	0.458	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-99.1	5.8	-176.5	-70.3	-174.5	25.7	0	0	114	R52 P53 M54	R52-Q56 HydrophobicContact CB-CB 4.44Å; P53-Q56 HydrophobicContact CG-CB 4.09Å; P53-Q56 HydrophobicContact CG-CG 3.79Å; P53-Q56 PolarHBondContact O-N 2.89Å; M54-Q56 PolarHBondContact O-N 3.34Å
57	L	93.3	Very high	92.6	Very high	10 Å²	10	71.2 Å²	71.2	5%	0.052	41%	0.411	C	S	.	.	S	Bend	trans	-91.5	139.1	-179.1	-63.3	165.2	0	0	0	110.6	M44 P46 R52 M54 E61 Q62 I65	M44-L57 HydrophobicContact CB-CD1 3.71Å; M44-L57 HydrophobicContact CG-CD1 4Å; P46-L57 HydrophobicContact CB-CD2 3.95Å; P46-L57 HydrophobicContact CG-CD2 3.7Å; R52-L57 HydrophobicContact CB-CD2 4.43Å; M54-L57 PolarHBondContact O-N 2.89Å; M54-L57 HydrophobicContact SD-CD1 3.72Å; L57-E61 HydrophobicContact CB-CB 4.16Å; L57-E61 HydrophobicContact CD2-CB 4.21Å; L57-Q62 HydrophobicContact CB-CG 3.79Å; L57-Q62 PolarHBondContact O-NE2 2.9Å; L57-I65 HydrophobicContact CD1-CD1 3.56Å; L57-I65 HydrophobicContact CD2-CD1 4.39Å
58	T	95.5	Very high	92.9	Very high	69 Å²	69	69.3 Å²	69.3	42%	0.423	40%	0.398	S	S	.	.			trans	-61.7	157.8	169.2	57.3	0	0	0	0	111.1	E60 E61 Q62	T58-E60 WeakPolarHBondContact CB-OE2 3.4Å; T58-E60 PolarHBondContact O-N 3.29Å; T58-E61 PolarHBondContact N-OE2 3.27Å; T58-E61 WeakPolarHBondContact O-CB 3.26Å; T58-E61 PolarHBondContact O-N 3.5Å; T58-E61 VanDerWaalsContact O-N 3.14Å; T58-E61 VanDerWaalsContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.41Å; T58-E61 PolarHBondContact OG1-N 3.38Å; T58-E61 PolarHBondContact OG1-OE2 3.19Å; T58-Q62 WeakPolarHBondContact O-CG 3.27Å; T58-Q62 PolarHBondContact O-N 2.81Å
59	E	95.8	Very high	93.4	Very high	143 Å²	143	69 Å²	69	67%	0.668	39%	0.387	S	S	*	.	H	α-helix	trans	-58.9	-37.6	178.4	63.1	177.4	175.5	0	0	111.6	E61 Q62 V63	E59-E61 PolarHBondContact O-N 3.28Å; E59-Q62 PolarHBondContact O-N 3.14Å; E59-V63 VanDerWaalsContact O-CG2 3.27Å; E59-V63 WeakPolarHBondContact O-CG2 3.5Å; E59-V63 PolarHBondContact O-N 2.99Å
60	E	94.6	Very high	93.7	Very high	105 Å²	105	66.6 Å²	66.6	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-37.3	178.3	-58.9	82.7	176.4	0	0	111.9	T58 R64	T58-E60 WeakPolarHBondContact CB-OE2 3.4Å; T58-E60 PolarHBondContact O-N 3.29Å; E60-R64 WeakPolarHBondContact O-CB 3.07Å; E60-R64 PolarHBondContact O-N 2.85Å
61	E	94.8	Very high	93.9	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-42.9	173	-75.8	168.9	144.9	0	0	111.6	P46 L57 T58 E59 R64 I65	P46-E61 HydrophobicContact CB-CB 4.04Å; P46-E61 HydrophobicContact CB-CG 3.77Å; L57-E61 HydrophobicContact CB-CB 4.16Å; L57-E61 HydrophobicContact CD2-CB 4.21Å; T58-E61 PolarHBondContact N-OE2 3.27Å; T58-E61 WeakPolarHBondContact O-CB 3.26Å; T58-E61 PolarHBondContact O-N 3.5Å; T58-E61 VanDerWaalsContact O-N 3.14Å; T58-E61 VanDerWaalsContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CB 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.41Å; T58-E61 PolarHBondContact OG1-N 3.38Å; T58-E61 PolarHBondContact OG1-OE2 3.19Å; E59-E61 PolarHBondContact O-N 3.28Å; E61-R64 WeakPolarHBondContact O-CB 3.44Å; E61-R64 PolarHBondContact O-N 3.29Å; E61-I65 WeakPolarHBondContact O-CD1 3.36Å; E61-I65 VanDerWaalsContact O-CG1 3.26Å; E61-I65 WeakPolarHBondContact O-CG1 3.5Å; E61-I65 PolarHBondContact O-N 3.04Å
62	Q	95.3	Very high	94	Very high	74 Å²	74	63.3 Å²	63.3	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-45.6	176.3	-67.5	179.1	30.1	0	0	111.1	M54 L57 T58 E59 R64 I65 A66	M54-Q62 HydrophobicContact CE-CB 4.23Å; M54-Q62 HydrophobicContact CE-CG 3.91Å; M54-Q62 HydrophobicContact SD-CG 4.39Å; L57-Q62 HydrophobicContact CB-CG 3.79Å; L57-Q62 PolarHBondContact O-NE2 2.9Å; T58-Q62 WeakPolarHBondContact O-CG 3.27Å; T58-Q62 PolarHBondContact O-N 2.81Å; E59-Q62 PolarHBondContact O-N 3.14Å; Q62-R64 VanDerWaalsContact C-N 3.33Å; Q62-R64 PolarHBondContact O-N 3.42Å; Q62-I65 PolarHBondContact O-N 3.41Å; Q62-A66 WeakPolarHBondContact O-CB 3.2Å; Q62-A66 PolarHBondContact O-N 2.99Å
63	V	93.8	Very high	94.1	Very high	84 Å²	84	62.1 Å²	62.1	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-42.1	174.9	171.9	0	0	0	0	110.9	E59 I65 A66 T67	E59-V63 VanDerWaalsContact O-CG2 3.27Å; E59-V63 WeakPolarHBondContact O-CG2 3.5Å; E59-V63 PolarHBondContact O-N 2.99Å; V63-I65 VanDerWaalsContact C-N 3.33Å; V63-I65 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 2.93Å; V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.33Å; V63-T67 VanDerWaalsContact O-CG2 3.23Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.48Å; V63-T67 PolarHBondContact O-OG1 3.26Å
64	R	92	Very high	94.2	Very high	72 Å²	72	65.8 Å²	65.8	27%	0.272	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-38	176.6	-163.7	-175.2	-54	111.7	9.6	112.3	E60 E61 Q62 T67 R68 Y212	E60-R64 WeakPolarHBondContact O-CB 3.07Å; E60-R64 PolarHBondContact O-N 2.85Å; E61-R64 WeakPolarHBondContact O-CB 3.44Å; E61-R64 PolarHBondContact O-N 3.29Å; Q62-R64 VanDerWaalsContact C-N 3.33Å; Q62-R64 PolarHBondContact O-N 3.42Å; R64-T67 WeakPolarHBondContact CA-OG1 3.36Å; R64-T67 PolarHBondContact O-OG1 2.89Å; R64-R68 WeakPolarHBondContact O-CB 3.45Å; R64-R68 PolarHBondContact O-N 2.81Å; R64-R68 VanDerWaalsContact O-N 3.13Å; R64-Y212 HydrophobicContact CG-CE1 4.24Å
65	I	93.6	Very high	94.3	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-46.7	177	-69.2	159.8	0	0	0	110.7	M44 P46 L57 E61 Q62 V63 R68 M69 M123	M44-I65 HydrophobicContact CB-CD1 3.8Å; M44-I65 HydrophobicContact CG-CD1 4.33Å; M44-I65 HydrophobicContact SD-CG2 4.19Å; P46-I65 HydrophobicContact CB-CD1 4.39Å; L57-I65 HydrophobicContact CD1-CD1 3.56Å; L57-I65 HydrophobicContact CD2-CD1 4.39Å; E61-I65 WeakPolarHBondContact O-CD1 3.36Å; E61-I65 VanDerWaalsContact O-CG1 3.26Å; E61-I65 WeakPolarHBondContact O-CG1 3.5Å; E61-I65 PolarHBondContact O-N 3.04Å; Q62-I65 PolarHBondContact O-N 3.41Å; V63-I65 VanDerWaalsContact C-N 3.33Å; V63-I65 PolarHBondContact O-N 2.87Å; I65-R68 WeakPolarHBondContact O-CB 3.48Å; I65-R68 PolarHBondContact O-N 2.89Å; I65-M69 HydrophobicContact CG2-SD 4.13Å; I65-M69 WeakPolarHBondContact O-CG 3.49Å; I65-M69 PolarHBondContact O-N 2.87Å; I65-M123 HydrophobicContact CG2-CE 4.01Å
66	A	94	Very high	94.5	Very high	58 Å²	58	62.9 Å²	62.9	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-44.3	179	0	0	0	0	0	112	Q62 V63 R68 M69 G70	Q62-A66 WeakPolarHBondContact O-CB 3.2Å; Q62-A66 PolarHBondContact O-N 2.99Å; V63-A66 PolarHBondContact O-N 2.93Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.17Å; A66-M69 PolarHBondContact O-N 3.21Å; A66-G70 PolarHBondContact O-N 3.12Å
67	T	92.1	Very high	94.5	Very high	79 Å²	79	61.9 Å²	61.9	49%	0.485	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-44	174.8	49.3	0	0	0	0	111.3	V63 R64 G70 L71	V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.33Å; V63-T67 VanDerWaalsContact O-CG2 3.23Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.48Å; V63-T67 PolarHBondContact O-OG1 3.26Å; R64-T67 WeakPolarHBondContact CA-OG1 3.36Å; R64-T67 PolarHBondContact O-OG1 2.89Å; T67-G70 PolarHBondContact O-N 3.47Å; T67-L71 WeakPolarHBondContact O-CG 3.12Å; T67-L71 PolarHBondContact O-N 3.41Å
68	R	93	Very high	94.7	Very high	22 Å²	22	62.9 Å²	62.9	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-44.9	174.3	174.6	175.1	64.6	174.3	-2.7	113	H45 R64 I65 A66 G70 L71 I72 L122 M123 L126	H45-R68 PolarHBondContact O-NH1 3.42Å; H45-R68 PolarHBondContact O-NH2 3.03Å; R64-R68 WeakPolarHBondContact O-CB 3.45Å; R64-R68 PolarHBondContact O-N 2.81Å; R64-R68 VanDerWaalsContact O-N 3.13Å; I65-R68 WeakPolarHBondContact O-CB 3.48Å; I65-R68 PolarHBondContact O-N 2.89Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.17Å; R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3.25Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.16Å; R68-I72 HydrophobicContact CG-CD1 3.98Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 2.86Å; R68-L122 WeakPolarHBondContact CD-O 3.5Å; R68-M123 HydrophobicContact CG-SD 4.44Å; R68-M123 PolarHBondContact NH1-O 3.44Å; R68-M123 PolarHBondContact NH2-O 3.19Å; R68-M123 VanDerWaalsContact NH2-O 3.16Å; R68-L126 HydrophobicContact CG-CD1 4.24Å; R68-L126 HydrophobicContact CG-CD2 3.92Å; R68-L126 HydrophobicContact CG-CG 4.22Å
69	M	94.5	Very high	94.8	Very high	104 Å²	104	66.4 Å²	66.4	51%	0.512	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-42.3	175	-69.6	171.9	74.7	0	0	111.3	I65 A66 L71 I72 S73 M123	I65-M69 HydrophobicContact CG2-SD 4.13Å; I65-M69 WeakPolarHBondContact O-CG 3.49Å; I65-M69 PolarHBondContact O-N 2.87Å; A66-M69 PolarHBondContact O-N 3.21Å; M69-L71 PolarHBondContact O-N 3.13Å; M69-I72 PolarHBondContact O-N 2.9Å; M69-S73 PolarHBondContact O-N 3.01Å; M69-M123 HydrophobicContact CG-CE 3.77Å; M69-M123 HydrophobicContact CG-SD 3.61Å; M69-M123 HydrophobicContact SD-CE 4.25Å
70	G	94.9	Very high	94.9	Very high	35 Å²	35	59.8 Å²	59.8	36%	0.361	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-38.9	174.4	0	0	0	0	0	113.2	A66 T67 R68 S73 T74	A66-G70 PolarHBondContact O-N 3.12Å; T67-G70 PolarHBondContact O-N 3.47Å; R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3.25Å; G70-S73 PolarHBondContact O-OG 3.41Å; G70-T74 WeakPolarHBondContact O-CG2 3.38Å
71	L	94.3	Very high	94.9	Very high	49 Å²	49	58.2 Å²	58.2	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-46.5	174.5	-66	174.6	0	0	0	111.6	T67 R68 M69 S73 T74 P137	T67-L71 WeakPolarHBondContact O-CG 3.12Å; T67-L71 PolarHBondContact O-N 3.41Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.16Å; M69-L71 PolarHBondContact O-N 3.13Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 2.93Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 PolarHBondContact O-OG1 3.29Å; L71-P137 HydrophobicContact CD1-CG 3.92Å; L71-P137 HydrophobicContact CD2-CB 3.74Å; L71-P137 HydrophobicContact CD2-CG 3.68Å; L71-P137 HydrophobicContact CG-CG 4.47Å
72	I	95.8	Very high	94.9	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.046	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-41.2	-179.5	-65.5	164.8	0	0	0	110.9	R68 M69 T74 L75 R105 D119 L122 M123	R68-I72 HydrophobicContact CG-CD1 3.98Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 2.86Å; M69-I72 PolarHBondContact O-N 2.9Å; I72-T74 PolarHBondContact O-N 3.25Å; I72-L75 WeakPolarHBondContact O-CB 3.33Å; I72-L75 PolarHBondContact O-N 3.17Å; I72-R105 PolarHBondContact O-NH1 3.21Å; I72-D119 HydrophobicContact CG2-CB 4.25Å; I72-D119 VanDerWaalsContact CG2-OD1 3.29Å; I72-D119 WeakPolarHBondContact CG2-OD1 3.23Å; I72-L122 HydrophobicContact CD1-CB 3.54Å; I72-L122 HydrophobicContact CG1-CB 3.79Å; I72-L122 HydrophobicContact CG1-CD1 4.11Å; I72-M123 HydrophobicContact CD1-CG 4.02Å; I72-M123 HydrophobicContact CD1-SD 3.79Å
73	S	95.3	Very high	94.9	Very high	82 Å²	82	61.4 Å²	61.4	57%	0.573	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-28.4	-178.7	69.6	0	0	0	0	113.3	M69 G70 L71 L75	M69-S73 PolarHBondContact O-N 3.01Å; G70-S73 PolarHBondContact O-OG 3.41Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 2.93Å; S73-L75 VanDerWaalsContact C-N 3.34Å
74	T	94.4	Very high	94.9	Very high	108 Å²	108	60.9 Å²	60.9	66%	0.663	34%	0.341	S	S	*	.	H	α-helix	trans	-79.3	-12.5	178.2	64.5	0	0	0	0	114.5	G70 L71 I72	G70-T74 WeakPolarHBondContact O-CG2 3.38Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 PolarHBondContact O-OG1 3.29Å; I72-T74 PolarHBondContact O-N 3.25Å
75	L	95.5	Very high	95	Very high	19 Å²	19	61 Å²	61	10%	0.099	34%	0.341	C	S	.	.	S	Bend	trans	-67.9	141.2	-179.4	-66.5	175.3	0	0	0	110.9	I72 S73 L77 R105 L107 P108 L122 I135	I72-L75 WeakPolarHBondContact O-CB 3.33Å; I72-L75 PolarHBondContact O-N 3.17Å; S73-L75 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 3.18Å; L75-R105 HydrophobicContact CB-CG 3.97Å; L75-R105 PolarHBondContact O-NH1 2.77Å; L75-L107 HydrophobicContact CD1-CD2 3.94Å; L75-P108 HydrophobicContact CD2-CG 4.24Å; L75-L122 HydrophobicContact CD1-CD1 3.68Å; L75-I135 HydrophobicContact CD1-CD1 4.36Å; L75-I135 HydrophobicContact CD2-CG2 4.17Å
76	P	96.1	Very high	95	Very high	64 Å²	64	69.6 Å²	69.6	42%	0.416	38%	0.382	S	S	.	.			trans	-61.4	133.8	-175.3	-23.1	32.6	0	0	0	113.5	R105 Y106	P76-R105 WeakPolarHBondContact O-CA 3.4Å; P76-R105 WeakPolarHBondContact O-CG 3.15Å; P76-Y106 PolarHBondContact O-N 3.45Å
77	L	96.5	Very high	94.9	Very high	77 Å²	77	74.4 Å²	74.4	40%	0.403	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.6	174.7	-72.6	167.7	0	0	0	110.5	L75 L104 R105 R115	L75-L77 PolarHBondContact O-N 3.18Å; L77-L104 CarbonylContact C-O 3.56Å; L77-L104 WeakPolarHBondContact CA-O 3.3Å; L77-L104 WeakPolarHBondContact CD2-O 3.39Å; L77-R105 HydrophobicContact CD2-CB 3.69Å; L77-R105 HydrophobicContact CD2-CG 4.05Å; L77-R115 HydrophobicContact CD2-CB 3.92Å; L77-R115 HydrophobicContact CD2-CG 3.8Å
78	F	96.7	Very high	95	Very high	31 Å²	31	71.6 Å²	71.6	14%	0.136	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.1	169.5	73.3	-75.4	0	0	0	110.5	K84 L88 L104 Y106 T112	F78-K84 HydrophobicContact CD2-CD 4.42Å; F78-K84 HydrophobicContact CE2-CD 3.93Å; F78-L88 HydrophobicContact CE2-CD1 4.05Å; F78-L88 HydrophobicContact CZ-CD1 3.59Å; F78-L104 HydrophobicContact CD1-CB 4.06Å; F78-L104 HydrophobicContact CE1-CB 3.49Å; F78-L104 VanDerWaalsContact CE1-CB 3.49Å; F78-L104 HydrophobicContact CE1-CD1 4.37Å; F78-L104 HydrophobicContact CE1-CG 4.48Å; F78-L104 HydrophobicContact CE2-CB 4.28Å; F78-L104 HydrophobicContact CE2-CD1 4.09Å; F78-L104 HydrophobicContact CZ-CB 3.62Å; F78-L104 HydrophobicContact CZ-CD1 3.65Å; F78-L104 HydrophobicContact CZ-CG 4.14Å; F78-L104 PolarHBondContact N-O 2.93Å; F78-L104 PolarHBondContact O-N 3.28Å; F78-Y106 AromaticContact CD1-CD2 3.5Å; F78-Y106 HydrophobicContact CD1-CD2 3.5Å; F78-Y106 VanDerWaalsContact CD1-CD2 3.5Å; F78-Y106 AromaticContact CD1-CE2 3.07Å; F78-Y106 HydrophobicContact CD1-CE2 3.07Å; F78-Y106 HydrophobicContact CD1-CG 4.49Å; F78-Y106 AromaticContact CD1-CZ 3.8Å; F78-Y106 HydrophobicContact CE1-CD1 4.42Å; F78-Y106 AromaticContact CE1-CD2 3.59Å; F78-Y106 HydrophobicContact CE1-CD2 3.59Å; F78-Y106 AromaticContact CE1-CE1 3.97Å; F78-Y106 HydrophobicContact CE1-CE1 3.97Å; F78-Y106 AromaticContact CE1-CE2 3.03Å; F78-Y106 HydrophobicContact CE1-CE2 3.03Å; F78-Y106 HydrophobicContact CE1-CG 4.25Å; F78-Y106 AromaticContact CE1-CZ 3.23Å; F78-Y106 WeakPolarHBondContact CE1-OH 3.38Å; F78-Y106 AromaticContact CG-CE2 3.88Å; F78-Y106 HydrophobicContact CG-CE2 3.88Å; F78-Y106 HydrophobicContact CZ-CE1 4.43Å; F78-Y106 AromaticContact CZ-CE2 3.83Å; F78-Y106 HydrophobicContact CZ-CE2 3.83Å; F78-Y106 AromaticContact CZ-CZ 3.63Å; F78-Y106 WeakPolarHBondContact CZ-OH 3.29Å; F78-T112 HydrophobicContact CE1-CG2 3.75Å; F78-T112 HydrophobicContact CZ-CG2 3.85Å
79	K	97.4	Very high	95	Very high	144 Å²	144	75.6 Å²	75.6	63%	0.626	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.5	170.3	-66.7	-174.4	178.6	-175.8	0	110.1	E102	K79-E102 CarbonylContact C-O 3.6Å; K79-E102 WeakPolarHBondContact CA-O 3.4Å
80	F	97.2	Very high	95.1	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.018	39%	0.386	C	S	.	.			trans	-63.7	138.4	172.7	-176.5	-98.7	0	0	0	109.7	K84 R85 L88 Y98 E99 G101 E102 L104	F80-K84 HydrophobicContact CE2-CB 4.21Å; F80-R85 HydrophobicContact CZ-CB 4.15Å; F80-L88 HydrophobicContact CE2-CB 4.08Å; F80-Y98 HydrophobicContact CD2-CD2 4.36Å; F80-Y98 HydrophobicContact CD2-CG 4.19Å; F80-Y98 HydrophobicContact CE2-CD2 4.2Å; F80-Y98 HydrophobicContact CE2-CG 4.29Å; F80-E99 VanDerWaalsContact CD1-C 3.48Å; F80-E99 VanDerWaalsContact CD1-O 3.28Å; F80-E99 WeakPolarHBondContact CD1-O 3.26Å; F80-G101 PolarHBondContact O-N 2.84Å; F80-E102 HydrophobicContact CB-CB 4.26Å; F80-E102 PolarHBondContact N-O 3.2Å; F80-L104 HydrophobicContact CB-CD1 3.83Å; F80-L104 HydrophobicContact CB-CG 4.08Å; F80-L104 HydrophobicContact CD2-CD1 3.75Å; F80-L104 HydrophobicContact CG-CD1 4.17Å
81	D	96.1	Very high	95.2	Very high	71 Å²	71	73 Å²	73	38%	0.38	37%	0.369	S	S	.	.			trans	-131	142.3	176.2	171.3	24.4	0	0	0	106.2	S83 K84	D81-S83 VanDerWaalsContact CG-OG 3.31Å; D81-S83 PolarHBondContact O-N 3.17Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD2-CB 3.24Å; D81-S83 PolarHBondContact OD2-OG 2.84Å; D81-K84 WeakPolarHBondContact O-CB 3.42Å; D81-K84 PolarHBondContact O-N 3.16Å
82	E	95.1	Very high	95.3	Very high	85 Å²	85	74.4 Å²	74.4	40%	0.397	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57	-29.4	-175.4	-170.8	57.2	-154.3	0	0	111.9	K84 R85	E82-K84 PolarHBondContact O-N 3.21Å; E82-R85 VanDerWaalsContact O-CB 3.31Å; E82-R85 WeakPolarHBondContact O-CB 3.39Å; E82-R85 PolarHBondContact O-N 2.83Å; E82-R85 VanDerWaalsContact OE1-CD 3.26Å; E82-R85 WeakPolarHBondContact OE1-CD 3.32Å; E82-R85 IonicContact OE1-CZ 2.73Å; E82-R85 IonicContact OE1-NE 3.21Å; E82-R85 PolarHBondContact OE1-NE 3.16Å; E82-R85 IonicContact OE1-NH2 3.51Å; E82-R85 IonicContact OE2-CZ 3.18Å; E82-R85 IonicContact OE2-NE 2.92Å; E82-R85 PolarHBondContact OE2-NE 2.76Å; E82-R85 VanDerWaalsContact OE2-NE 3.08Å; E82-R85 IonicContact OE2-NH2 2.98Å; E82-R85 PolarHBondContact OE2-NH2 2.5Å
83	S	95.4	Very high	95.4	Very high	89 Å²	89	76 Å²	76	62%	0.622	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-56.2	-21.7	172.7	70.6	0	0	0	0	114.4	D81	D81-S83 VanDerWaalsContact CG-OG 3.31Å; D81-S83 PolarHBondContact O-N 3.17Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD2-CB 3.24Å; D81-S83 PolarHBondContact OD2-OG 2.84Å
84	K	93.4	Very high	95.4	Very high	74 Å²	74	72.7 Å²	72.7	32%	0.322	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-94.8	-3.2	179.9	-64.6	175	-177.6	164.3	0	113.8	F78 F80 D81 E82 E86 K87 L88	F78-K84 HydrophobicContact CD2-CD 4.42Å; F78-K84 HydrophobicContact CE2-CD 3.93Å; F80-K84 HydrophobicContact CE2-CB 4.21Å; D81-K84 WeakPolarHBondContact O-CB 3.42Å; D81-K84 PolarHBondContact O-N 3.16Å; E82-K84 PolarHBondContact O-N 3.21Å; K84-E86 PolarHBondContact O-N 2.71Å; K84-E86 VanDerWaalsContact O-N 3.13Å; K84-K87 PolarHBondContact O-N 3.26Å; K84-L88 HydrophobicContact CB-CD1 4.33Å; K84-L88 HydrophobicContact CD-CD1 4.49Å; K84-L88 PolarHBondContact O-N 3.33Å
85	R	94.5	Very high	95.5	Very high	73 Å²	73	74.5 Å²	74.5	28%	0.275	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.2	-175.8	-173.6	173.8	-67.7	-110.4	2.9	113.5	F80 E82 K87 L88 E97 Y98	F80-R85 HydrophobicContact CZ-CB 4.15Å; E82-R85 VanDerWaalsContact O-CB 3.31Å; E82-R85 WeakPolarHBondContact O-CB 3.39Å; E82-R85 PolarHBondContact O-N 2.83Å; E82-R85 VanDerWaalsContact OE1-CD 3.26Å; E82-R85 WeakPolarHBondContact OE1-CD 3.32Å; E82-R85 IonicContact OE1-CZ 2.73Å; E82-R85 IonicContact OE1-NE 3.21Å; E82-R85 PolarHBondContact OE1-NE 3.16Å; E82-R85 IonicContact OE1-NH2 3.51Å; E82-R85 IonicContact OE2-CZ 3.18Å; E82-R85 IonicContact OE2-NE 2.92Å; E82-R85 PolarHBondContact OE2-NE 2.76Å; E82-R85 VanDerWaalsContact OE2-NE 3.08Å; E82-R85 IonicContact OE2-NH2 2.98Å; E82-R85 PolarHBondContact OE2-NH2 2.5Å; R85-K87 PolarHBondContact O-N 3.44Å; R85-L88 WeakPolarHBondContact CA-O 3.36Å; R85-E97 IonicContact NH1-OE2 3.35Å; R85-E97 PolarHBondContact NH1-OE2 3.06Å; R85-Y98 PolarHBondContact NH2-O 3.49Å
86	E	92.8	Very high	95.5	Very high	185 Å²	185	75 Å²	75	86%	0.864	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30	176.6	-169.4	-178.6	-169	0	0	113.1	K84	K84-E86 PolarHBondContact O-N 2.71Å; K84-E86 VanDerWaalsContact O-N 3.13Å
87	K	92.6	Very high	95.5	Very high	159 Å²	159	76.5 Å²	76.5	69%	0.691	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-24.7	-176.7	-66.7	173.1	-175.5	168.6	0	113.4	K84 R85	K84-K87 PolarHBondContact O-N 3.26Å; R85-K87 PolarHBondContact O-N 3.44Å
88	L	93.2	Very high	95.5	Very high	19 Å²	19	73 Å²	73	10%	0.099	35%	0.351	C	S	.	.			trans	-133.2	105.9	-174.1	-62.5	176.3	0	0	0	107.9	F78 F80 K84 R85 Y98 T112	F78-L88 HydrophobicContact CE2-CD1 4.05Å; F78-L88 HydrophobicContact CZ-CD1 3.59Å; F80-L88 HydrophobicContact CE2-CB 4.08Å; K84-L88 HydrophobicContact CB-CD1 4.33Å; K84-L88 HydrophobicContact CD-CD1 4.49Å; K84-L88 PolarHBondContact O-N 3.33Å; R85-L88 WeakPolarHBondContact CA-O 3.36Å; L88-Y98 HydrophobicContact CB-CD2 4Å; L88-Y98 HydrophobicContact CB-CE2 4.06Å; L88-T112 HydrophobicContact CD1-CG2 4.38Å; L88-T112 HydrophobicContact CD2-CG2 4.24Å
89	F	93.1	Very high	95.4	Very high	107 Å²	107	75.7 Å²	75.7	47%	0.469	36%	0.364	S	S	.	.			trans	-100	-59.6	-173	-176	-103.1	0	0	0	112.4	E97 Y98	F89-E97 HydrophobicContact CE1-CG 4.02Å; F89-E97 HydrophobicContact CE2-CG 4.48Å; F89-E97 HydrophobicContact CZ-CG 3.92Å; F89-E97 VanDerWaalsContact CZ-OE1 3.3Å; F89-E97 WeakPolarHBondContact CZ-OE1 3.01Å; F89-E97 WeakPolarHBondContact O-CA 3.41Å; F89-Y98 WeakPolarHBondContact O-CD2 3.48Å; F89-Y98 PolarHBondContact O-N 2.88Å
90	E	95.7	Very high	95.4	Very high	83 Å²	83	75.7 Å²	75.7	39%	0.388	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.8	-174.7	70.5	178.9	-176.9	0	0	112.4	C96 Y98	E90-C96 WeakPolarHBondContact CA-O 3.43Å; E90-C96 WeakPolarHBondContact CB-O 3.36Å; E90-Y98 VanDerWaalsContact C-CE2 3.48Å; E90-Y98 VanDerWaalsContact C-CZ 3.45Å; E90-Y98 WeakPolarHBondContact O-CE2 3.49Å; E90-Y98 PolarHBondContact O-OH 3.32Å
91	C	97.9	Very high	95.3	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.8	171.5	-179.9	0	0	0	0	110.7	I93 C94 M95 C96 Y98 H114	C91-I93 PolarHBondContact O-N 3.35Å; C91-C94 VanDerWaalsContact CB-SG 3.54Å; C91-C94 PolarHBondContact O-N 3.36Å; C91-M95 VanDerWaalsContact O-CA 3.27Å; C91-M95 WeakPolarHBondContact O-CA 3.23Å; C91-M95 PolarHBondContact O-N 2.91Å; C91-C96 PolarHBondContact N-O 2.91Å; C91-Y98 WeakPolarHBondContact CA-OH 3.42Å; C91-Y98 HydrophobicContact CB-CD1 4.48Å; C91-Y98 HydrophobicContact CB-CE1 3.61Å; C91-H114 VanDerWaalsContact CB-CE1 3.47Å; C91-H114 WeakPolarHBondContact CB-CE1 3.34Å; C91-H114 WeakPolarHBondContact CB-ND1 3.33Å; C91-H114 PolarHBondContact SG-ND1 3.13Å; C91-H114 VanDerWaalsContact SG-ND1 3.43Å
92	I	96.3	Very high	95.4	Very high	79 Å²	79	74.6 Å²	74.6	41%	0.405	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	-177.8	65.2	155.4	0	0	0	114.8	Y113 P129 S130	I92-Y113 HydrophobicContact CD1-CE1 3.95Å; I92-Y113 HydrophobicContact CG1-CD1 4.11Å; I92-Y113 HydrophobicContact CG1-CE1 3.54Å; I92-P129 HydrophobicContact CD1-CB 4.14Å; I92-S130 WeakPolarHBondContact CD1-OG 3.14Å
93	I	97.1	Very high	95.5	Very high	44 Å²	44	74.6 Å²	74.6	23%	0.226	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-43.6	179.4	-60.1	171.3	0	0	0	110.1	C91 Y113 C117 I118 W121 P129	C91-I93 PolarHBondContact O-N 3.35Å; I93-Y113 HydrophobicContact CD1-CD1 3.54Å; I93-Y113 HydrophobicContact CD1-CE1 4.16Å; I93-Y113 HydrophobicContact CD1-CG 3.94Å; I93-Y113 HydrophobicContact CG1-CD1 3.72Å; I93-Y113 HydrophobicContact CG1-CE1 4.12Å; I93-C117 HydrophobicContact CB-CB 3.99Å; I93-C117 HydrophobicContact CD1-CB 3.95Å; I93-C117 HydrophobicContact CG2-CB 3.95Å; I93-I118 HydrophobicContact CD1-CB 4.16Å; I93-I118 HydrophobicContact CD1-CD1 4Å; I93-W121 HydrophobicContact CD1-CB 4.42Å; I93-P129 HydrophobicContact CD1-CG 3.98Å; I93-P129 HydrophobicContact CG1-CB 4.4Å; I93-P129 HydrophobicContact CG1-CG 4.14Å
94	C	97	Very high	95.6	Very high	11 Å²	11	70.4 Å²	70.4	7%	0.074	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-12.4	179.4	65.4	0	0	0	0	114.4	C4 C91 C96 H114	C4-C94 HydrophobicContact CB-CB 3.48Å; C4-C94 VanDerWaalsContact CB-CB 3.48Å; C91-C94 VanDerWaalsContact CB-SG 3.54Å; C91-C94 PolarHBondContact O-N 3.36Å; C94-C96 VanDerWaalsContact C-N 3.26Å; C94-C96 PolarHBondContact O-N 2.96Å; C94-C96 PolarHBondContact O-SG 2.85Å; C94-H114 VanDerWaalsContact SG-CE1 3.58Å; C94-H114 PolarHBondContact SG-ND1 3.44Å
95	M	96.1	Very high	95.8	Very high	146 Å²	146	67 Å²	67	72%	0.719	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	36.3	-176	-54.3	170.5	-179.4	0	0	112.5	C91	C91-M95 VanDerWaalsContact O-CA 3.27Å; C91-M95 WeakPolarHBondContact O-CA 3.23Å; C91-M95 PolarHBondContact O-N 2.91Å
96	C	95.5	Very high	95.9	Very high	30 Å²	30	66.6 Å²	66.6	20%	0.203	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.2	178.5	-59.4	0	0	0	0	109.8	C7 E90 C91 C94	C7-C96 HydrophobicContact CB-CB 4.39Å; C7-C96 WeakPolarHBondContact CB-SG 3.44Å; C7-C96 WeakPolarHBondContact SG-CB 3.42Å; C7-C96 CovalentContact SG-SG 2.01Å; C7-C96 PolarHBondContact SG-SG 3.13Å; E90-C96 WeakPolarHBondContact CA-O 3.43Å; E90-C96 WeakPolarHBondContact CB-O 3.36Å; C91-C96 PolarHBondContact N-O 2.91Å; C94-C96 VanDerWaalsContact C-N 3.26Å; C94-C96 PolarHBondContact O-N 2.96Å; C94-C96 PolarHBondContact O-SG 2.85Å
97	E	95.9	Very high	96	Very high	95 Å²	95	57.9 Å²	57.9	44%	0.444	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	149.8	175.1	-64.6	-174.4	-169.4	0	0	110.9	R85 F89	R85-E97 IonicContact NH1-OE2 3.35Å; R85-E97 PolarHBondContact NH1-OE2 3.06Å; F89-E97 HydrophobicContact CE1-CG 4.02Å; F89-E97 HydrophobicContact CE2-CG 4.48Å; F89-E97 HydrophobicContact CZ-CG 3.92Å; F89-E97 VanDerWaalsContact CZ-OE1 3.3Å; F89-E97 WeakPolarHBondContact CZ-OE1 3.01Å; F89-E97 WeakPolarHBondContact O-CA 3.41Å
98	Y	96.5	Very high	96.1	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.016	26%	0.258	C	S	.	.			trans	-76.6	138.2	172.3	-60.2	-56.1	0	0	0	111	F80 R85 L88 F89 E90 C91 E102 L104 T112 Y113 H114	F80-Y98 HydrophobicContact CD2-CD2 4.36Å; F80-Y98 HydrophobicContact CD2-CG 4.19Å; F80-Y98 HydrophobicContact CE2-CD2 4.2Å; F80-Y98 HydrophobicContact CE2-CG 4.29Å; R85-Y98 PolarHBondContact NH2-O 3.49Å; L88-Y98 HydrophobicContact CB-CD2 4Å; L88-Y98 HydrophobicContact CB-CE2 4.06Å; F89-Y98 WeakPolarHBondContact O-CD2 3.48Å; F89-Y98 PolarHBondContact O-N 2.88Å; E90-Y98 VanDerWaalsContact C-CE2 3.48Å; E90-Y98 VanDerWaalsContact C-CZ 3.45Å; E90-Y98 WeakPolarHBondContact O-CE2 3.49Å; E90-Y98 PolarHBondContact O-OH 3.32Å; C91-Y98 WeakPolarHBondContact CA-OH 3.42Å; C91-Y98 HydrophobicContact CB-CD1 4.48Å; C91-Y98 HydrophobicContact CB-CE1 3.61Å; Y98-E102 WeakPolarHBondContact CA-OE2 3.34Å; Y98-L104 HydrophobicContact CD1-CD1 3.7Å; Y98-L104 HydrophobicContact CD1-CD2 3.4Å; Y98-L104 HydrophobicContact CD1-CG 4.21Å; Y98-L104 HydrophobicContact CD2-CD1 4.1Å; Y98-L104 HydrophobicContact CE1-CD1 3.8Å; Y98-L104 HydrophobicContact CE1-CD2 3.4Å; Y98-L104 HydrophobicContact CE1-CG 4.25Å; Y98-L104 HydrophobicContact CE2-CD1 4.21Å; Y98-L104 HydrophobicContact CG-CD1 3.84Å; Y98-L104 HydrophobicContact CG-CD2 4.32Å; Y98-T112 PolarHBondContact OH-O 3.16Å; Y98-Y113 WeakPolarHBondContact OH-CA 3.46Å; Y98-H114 AromaticContact CD1-CE1 3.9Å; Y98-H114 AromaticContact CD1-NE2 3.59Å
99	E	95.2	Very high	96.2	Very high	88 Å²	88	51.3 Å²	51.3	41%	0.411	26%	0.259	S	S	.	.			trans	-116.2	151.1	-179.8	-70	175.9	-171.7	0	0	110.9	R6 F80 G101 E102	R6-E99 IonicContact CZ-OE2 3.94Å; R6-E99 IonicContact NE-OE2 3.67Å; R6-E99 PolarHBondContact NE-OE2 3.22Å; R6-E99 IonicContact NH2-OE2 3.27Å; R6-E99 PolarHBondContact NH2-OE2 3.44Å; F80-E99 VanDerWaalsContact CD1-C 3.48Å; F80-E99 VanDerWaalsContact CD1-O 3.28Å; F80-E99 WeakPolarHBondContact CD1-O 3.26Å; E99-G101 PolarHBondContact O-N 2.88Å; E99-E102 HydrophobicContact CB-CG 4.12Å; E99-E102 PolarHBondContact N-OE2 3.33Å; E99-E102 VanDerWaalsContact O-CB 3.25Å; E99-E102 WeakPolarHBondContact O-CB 3.33Å; E99-E102 VanDerWaalsContact O-CG 3.28Å; E99-E102 WeakPolarHBondContact O-CG 3.44Å; E99-E102 PolarHBondContact O-N 3.15Å; E99-E102 VanDerWaalsContact O-N 3.1Å
100	E	96.3	Very high	96.2	Very high	144 Å²	144	48.3 Å²	48.3	67%	0.673	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	133.9	-178.3	-168.4	176.6	179.4	0	0	112	E102	E100-E102 VanDerWaalsContact C-N 3.28Å; E100-E102 PolarHBondContact O-N 3.04Å
101	G	96.4	Very high	96.3	Very high	41 Å²	41	47.4 Å²	47.4	42%	0.423	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-3.5	179.6	0	0	0	0	0	115.4	F80 E99	F80-G101 PolarHBondContact O-N 2.84Å; E99-G101 PolarHBondContact O-N 2.88Å
102	E	96.6	Very high	96.3	Very high	10 Å²	10	48 Å²	48	5%	0.047	25%	0.247	C	C	.	.			trans	-63.7	137.1	177.2	-79.4	-172	142.7	0	0	113.4	R6 K79 F80 Y98 E99 E100 L104 H114	R6-E102 WeakPolarHBondContact CD-OE1 3.34Å; R6-E102 VanDerWaalsContact CZ-CD 3.49Å; R6-E102 IonicContact CZ-OE1 2.87Å; R6-E102 IonicContact NE-OE1 2.59Å; R6-E102 PolarHBondContact NE-OE1 3.08Å; R6-E102 IonicContact NH1-OE1 3.42Å; R6-E102 PolarHBondContact NH1-OE1 3.35Å; R6-E102 IonicContact NH2-OE1 3.69Å; K79-E102 CarbonylContact C-O 3.6Å; K79-E102 WeakPolarHBondContact CA-O 3.4Å; F80-E102 HydrophobicContact CB-CB 4.26Å; F80-E102 PolarHBondContact N-O 3.2Å; Y98-E102 WeakPolarHBondContact CA-OE2 3.34Å; E99-E102 HydrophobicContact CB-CG 4.12Å; E99-E102 PolarHBondContact N-OE2 3.33Å; E99-E102 VanDerWaalsContact O-CB 3.25Å; E99-E102 WeakPolarHBondContact O-CB 3.33Å; E99-E102 VanDerWaalsContact O-CG 3.28Å; E99-E102 WeakPolarHBondContact O-CG 3.44Å; E99-E102 PolarHBondContact O-N 3.15Å; E99-E102 VanDerWaalsContact O-N 3.1Å; E100-E102 VanDerWaalsContact C-N 3.28Å; E100-E102 PolarHBondContact O-N 3.04Å; E102-L104 HydrophobicContact CB-CD2 4.28Å; E102-L104 PolarHBondContact O-N 2.91Å; E102-H114 IonicContact OE1-CD2 3.8Å; E102-H114 IonicContact OE1-NE2 3.64Å; E102-H114 PolarHBondContact OE1-NE2 2.82Å; E102-H114 IonicContact OE2-CD2 3.99Å; E102-H114 PolarHBondContact OE2-CD2 3.11Å; E102-H114 VanDerWaalsContact OE2-CD2 3.27Å; E102-H114 IonicContact OE2-CE1 2.72Å; E102-H114 IonicContact OE2-NE2 3.72Å; E102-H114 PolarHBondContact OE2-NE2 3.01Å
103	E	97.7	Very high	96.4	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.2	174.1	-63.8	-170.7	159.8	0	0	110.7	R115	E103-R115 HydrophobicContact CB-CB 4.04Å; E103-R115 WeakPolarHBondContact O-CB 3.38Å; E103-R115 PolarHBondContact O-N 2.72Å; E103-R115 IonicContact OE1-NH1 2.91Å; E103-R115 WeakPolarHBondContact OE2-CD 3.38Å; E103-R115 IonicContact OE2-CZ 2.67Å; E103-R115 IonicContact OE2-NE 3.93Å; E103-R115 IonicContact OE2-NH1 3.86Å; E103-R115 PolarHBondContact OE2-NH1 3.3Å
104	L	97.9	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.4	176.8	-53.9	-170.4	0	0	0	110.2	L77 F78 F80 Y98 E102 T112 Y113 H114	L77-L104 CarbonylContact C-O 3.56Å; L77-L104 WeakPolarHBondContact CA-O 3.3Å; L77-L104 WeakPolarHBondContact CD2-O 3.39Å; F78-L104 HydrophobicContact CD1-CB 4.06Å; F78-L104 HydrophobicContact CE1-CB 3.49Å; F78-L104 VanDerWaalsContact CE1-CB 3.49Å; F78-L104 HydrophobicContact CE1-CD1 4.37Å; F78-L104 HydrophobicContact CE1-CG 4.48Å; F78-L104 HydrophobicContact CE2-CB 4.28Å; F78-L104 HydrophobicContact CE2-CD1 4.09Å; F78-L104 HydrophobicContact CZ-CB 3.62Å; F78-L104 HydrophobicContact CZ-CD1 3.65Å; F78-L104 HydrophobicContact CZ-CG 4.14Å; F78-L104 PolarHBondContact N-O 2.93Å; F78-L104 PolarHBondContact O-N 3.28Å; F80-L104 HydrophobicContact CB-CD1 3.83Å; F80-L104 HydrophobicContact CB-CG 4.08Å; F80-L104 HydrophobicContact CD2-CD1 3.75Å; F80-L104 HydrophobicContact CG-CD1 4.17Å; Y98-L104 HydrophobicContact CD1-CD1 3.7Å; Y98-L104 HydrophobicContact CD1-CD2 3.4Å; Y98-L104 HydrophobicContact CD1-CG 4.21Å; Y98-L104 HydrophobicContact CD2-CD1 4.1Å; Y98-L104 HydrophobicContact CE1-CD1 3.8Å; Y98-L104 HydrophobicContact CE1-CD2 3.4Å; Y98-L104 HydrophobicContact CE1-CG 4.25Å; Y98-L104 HydrophobicContact CE2-CD1 4.21Å; Y98-L104 HydrophobicContact CG-CD1 3.84Å; Y98-L104 HydrophobicContact CG-CD2 4.32Å; E102-L104 HydrophobicContact CB-CD2 4.28Å; E102-L104 PolarHBondContact O-N 2.91Å; L104-T112 HydrophobicContact CB-CG2 3.84Å; L104-T112 HydrophobicContact CD1-CG2 3.94Å; L104-T112 HydrophobicContact CG-CG2 4.49Å; L104-Y113 CarbonylContact C-O 3.6Å; L104-Y113 VanDerWaalsContact CA-O 3.23Å; L104-Y113 WeakPolarHBondContact CA-O 3.19Å; L104-H114 HydrophobicContact CD2-CB 4.45Å
105	R	97.6	Very high	96.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.4	176.9	-172.1	-179	-66.9	-76.5	11.7	110.7	I72 L75 P76 L77 T112 Y113 I118 D119	I72-R105 PolarHBondContact O-NH1 3.21Å; L75-R105 HydrophobicContact CB-CG 3.97Å; L75-R105 PolarHBondContact O-NH1 2.77Å; P76-R105 WeakPolarHBondContact O-CA 3.4Å; P76-R105 WeakPolarHBondContact O-CG 3.15Å; L77-R105 HydrophobicContact CD2-CB 3.69Å; L77-R105 HydrophobicContact CD2-CG 4.05Å; R105-T112 WeakPolarHBondContact O-CA 3.19Å; R105-Y113 PolarHBondContact N-O 3.04Å; R105-Y113 PolarHBondContact O-N 3.42Å; R105-I118 HydrophobicContact CB-CG2 3.76Å; R105-I118 HydrophobicContact CG-CG2 4.36Å; R105-D119 IonicContact CZ-OD1 3.51Å; R105-D119 VanDerWaalsContact CZ-OD1 3.24Å; R105-D119 IonicContact CZ-OD2 2.77Å; R105-D119 IonicContact NE-OD1 3.08Å; R105-D119 PolarHBondContact NE-OD1 3.23Å; R105-D119 IonicContact NE-OD2 3.02Å; R105-D119 IonicContact NH2-OD1 3.19Å; R105-D119 PolarHBondContact NH2-OD1 3.34Å; R105-D119 IonicContact NH2-OD2 3.24Å; R105-D119 PolarHBondContact NH2-OD2 3.25Å
106	Y	96.1	Very high	96.5	Very high	64 Å²	64	43.8 Å²	43.8	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.4	166.9	-71.9	-70.6	0	0	0	110.6	P76 F78 T112	P76-Y106 PolarHBondContact O-N 3.45Å; F78-Y106 AromaticContact CD1-CD2 3.5Å; F78-Y106 HydrophobicContact CD1-CD2 3.5Å; F78-Y106 VanDerWaalsContact CD1-CD2 3.5Å; F78-Y106 AromaticContact CD1-CE2 3.07Å; F78-Y106 HydrophobicContact CD1-CE2 3.07Å; F78-Y106 HydrophobicContact CD1-CG 4.49Å; F78-Y106 AromaticContact CD1-CZ 3.8Å; F78-Y106 HydrophobicContact CE1-CD1 4.42Å; F78-Y106 AromaticContact CE1-CD2 3.59Å; F78-Y106 HydrophobicContact CE1-CD2 3.59Å; F78-Y106 AromaticContact CE1-CE1 3.97Å; F78-Y106 HydrophobicContact CE1-CE1 3.97Å; F78-Y106 AromaticContact CE1-CE2 3.03Å; F78-Y106 HydrophobicContact CE1-CE2 3.03Å; F78-Y106 HydrophobicContact CE1-CG 4.25Å; F78-Y106 AromaticContact CE1-CZ 3.23Å; F78-Y106 WeakPolarHBondContact CE1-OH 3.38Å; F78-Y106 AromaticContact CG-CE2 3.88Å; F78-Y106 HydrophobicContact CG-CE2 3.88Å; F78-Y106 HydrophobicContact CZ-CE1 4.43Å; F78-Y106 AromaticContact CZ-CE2 3.83Å; F78-Y106 HydrophobicContact CZ-CE2 3.83Å; F78-Y106 AromaticContact CZ-CZ 3.63Å; F78-Y106 WeakPolarHBondContact CZ-OH 3.29Å; Y106-T112 HydrophobicContact CD1-CG2 4.48Å; Y106-T112 VanDerWaalsContact CD1-OG1 3.22Å; Y106-T112 WeakPolarHBondContact CD1-OG1 3.4Å; Y106-T112 HydrophobicContact CE1-CG2 4.29Å; Y106-T112 WeakPolarHBondContact CE1-OG1 3.21Å
107	L	96.5	Very high	96.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.216	C	C	.	.			trans	-88.6	162.2	163.7	-57.5	-168.7	0	0	0	110.6	L75 C109 L110 H111 Y113 I118 L122 C128 I135	L75-L107 HydrophobicContact CD1-CD2 3.94Å; L107-C109 PolarHBondContact O-N 3Å; L107-C109 VanDerWaalsContact O-N 3.11Å; L107-L110 WeakPolarHBondContact O-CA 3.32Å; L107-L110 PolarHBondContact O-N 2.73Å; L107-H111 PolarHBondContact N-O 2.97Å; L107-Y113 HydrophobicContact CD1-CD2 4.33Å; L107-Y113 HydrophobicContact CD1-CE2 3.62Å; L107-Y113 HydrophobicContact CG-CD2 4.29Å; L107-Y113 HydrophobicContact CG-CE2 3.94Å; L107-I118 HydrophobicContact CD1-CD1 4.17Å; L107-I118 HydrophobicContact CD1-CG1 4.48Å; L107-I118 HydrophobicContact CD2-CG1 3.99Å; L107-L122 HydrophobicContact CD2-CD1 4.13Å; L107-C128 HydrophobicContact CD1-CB 3.66Å; L107-I135 HydrophobicContact CD1-CD1 3.97Å; L107-I135 HydrophobicContact CD2-CD1 3.72Å; L107-I135 HydrophobicContact CG-CD1 4.33Å
108	P	94.4	Very high	96.7	Very high	21 Å²	21	38.2 Å²	38.2	14%	0.136	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	176.6	-24.5	35	0	0	0	113.8	L75 L110 I135 S139 K142	L75-P108 HydrophobicContact CD2-CG 4.24Å; P108-L110 PolarHBondContact O-N 3.33Å; P108-I135 HydrophobicContact CG-CG2 4.34Å; P108-S139 VanDerWaalsContact CB-OG 3.24Å; P108-S139 WeakPolarHBondContact CB-OG 3.48Å; P108-S139 WeakPolarHBondContact CG-OG 3.37Å; P108-K142 PolarHBondContact O-N 2.93Å
109	C	95.2	Very high	96.7	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.128	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	5.4	172.8	64.4	0	0	0	0	114.3	L107 H111 C128 C131 E133	L107-C109 PolarHBondContact O-N 3Å; L107-C109 VanDerWaalsContact O-N 3.11Å; C109-H111 VanDerWaalsContact C-N 3.26Å; C109-H111 PolarHBondContact O-N 3.49Å; C109-H111 PolarHBondContact SG-ND1 3.21Å; C109-C128 PolarHBondContact SG-SG 3.37Å; C109-C131 VanDerWaalsContact SG-SG 3.67Å; C109-E133 VanDerWaalsContact CB-OE2 3.23Å; C109-E133 WeakPolarHBondContact CB-OE2 3.48Å
110	L	93.5	Very high	96.7	Very high	43 Å²	43	38.5 Å²	38.5	23%	0.225	20%	0.199	C	C	.	.			trans	67.7	8.4	179	-55.3	177.3	0	0	0	117	L107 P108 V141 K142 R144	L107-L110 WeakPolarHBondContact O-CA 3.32Å; L107-L110 PolarHBondContact O-N 2.73Å; P108-L110 PolarHBondContact O-N 3.33Å; L110-V141 HydrophobicContact CD2-CG1 4.42Å; L110-K142 HydrophobicContact CD1-CB 4.21Å; L110-K142 VanDerWaalsContact CD1-O 3.3Å; L110-K142 WeakPolarHBondContact CD1-O 3.34Å; L110-K142 WeakPolarHBondContact CD2-O 3.05Å; L110-K142 HydrophobicContact CG-CB 4.24Å; L110-R144 HydrophobicContact CD1-CG 3.51Å
111	H	97.3	Very high	96.7	Very high	64 Å²	64	36.1 Å²	36.1	30%	0.296	18%	0.184	S	C	.	.			trans	-72.7	146.8	167	-63.6	105.8	0	0	0	110.8	L107 C109 Y113 C128 S130	L107-H111 PolarHBondContact N-O 2.97Å; C109-H111 VanDerWaalsContact C-N 3.26Å; C109-H111 PolarHBondContact O-N 3.49Å; C109-H111 PolarHBondContact SG-ND1 3.21Å; H111-Y113 HydrophobicContact CB-CE2 3.75Å; H111-Y113 WeakPolarHBondContact CB-OH 3.16Å; H111-C128 PolarHBondContact ND1-SG 2.74Å; H111-C128 VanDerWaalsContact ND1-SG 3.36Å; H111-S130 WeakPolarHBondContact CD2-CB 3.37Å; H111-S130 VanDerWaalsContact CG-CB 3.49Å
112	T	97.5	Very high	96.6	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.4	-171.4	-50.3	0	0	0	0	110.1	F78 L88 Y98 L104 R105 Y106	F78-T112 HydrophobicContact CE1-CG2 3.75Å; F78-T112 HydrophobicContact CZ-CG2 3.85Å; L88-T112 HydrophobicContact CD1-CG2 4.38Å; L88-T112 HydrophobicContact CD2-CG2 4.24Å; Y98-T112 PolarHBondContact OH-O 3.16Å; L104-T112 HydrophobicContact CB-CG2 3.84Å; L104-T112 HydrophobicContact CD1-CG2 3.94Å; L104-T112 HydrophobicContact CG-CG2 4.49Å; R105-T112 WeakPolarHBondContact O-CA 3.19Å; Y106-T112 HydrophobicContact CD1-CG2 4.48Å; Y106-T112 VanDerWaalsContact CD1-OG1 3.22Å; Y106-T112 WeakPolarHBondContact CD1-OG1 3.4Å; Y106-T112 HydrophobicContact CE1-CG2 4.29Å; Y106-T112 WeakPolarHBondContact CE1-OG1 3.21Å
113	Y	98.4	Very high	96.5	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.8	-178.6	-51.1	-86.3	0	0	0	109.3	I92 I93 Y98 L104 R105 L107 H111 R115 I118 C128 P129 S130	I92-Y113 HydrophobicContact CD1-CE1 3.95Å; I92-Y113 HydrophobicContact CG1-CD1 4.11Å; I92-Y113 HydrophobicContact CG1-CE1 3.54Å; I93-Y113 HydrophobicContact CD1-CD1 3.54Å; I93-Y113 HydrophobicContact CD1-CE1 4.16Å; I93-Y113 HydrophobicContact CD1-CG 3.94Å; I93-Y113 HydrophobicContact CG1-CD1 3.72Å; I93-Y113 HydrophobicContact CG1-CE1 4.12Å; Y98-Y113 WeakPolarHBondContact OH-CA 3.46Å; L104-Y113 CarbonylContact C-O 3.6Å; L104-Y113 VanDerWaalsContact CA-O 3.23Å; L104-Y113 WeakPolarHBondContact CA-O 3.19Å; R105-Y113 PolarHBondContact N-O 3.04Å; R105-Y113 PolarHBondContact O-N 3.42Å; L107-Y113 HydrophobicContact CD1-CD2 4.33Å; L107-Y113 HydrophobicContact CD1-CE2 3.62Å; L107-Y113 HydrophobicContact CG-CD2 4.29Å; L107-Y113 HydrophobicContact CG-CE2 3.94Å; H111-Y113 HydrophobicContact CB-CE2 3.75Å; H111-Y113 WeakPolarHBondContact CB-OH 3.16Å; Y113-R115 PolarHBondContact O-N 2.87Å; Y113-I118 HydrophobicContact CD2-CB 4.02Å; Y113-I118 HydrophobicContact CD2-CD1 3.71Å; Y113-I118 HydrophobicContact CD2-CG1 3.73Å; Y113-I118 HydrophobicContact CE2-CD1 3.94Å; Y113-I118 HydrophobicContact CE2-CG1 4.36Å; Y113-I118 HydrophobicContact CG-CB 3.99Å; Y113-I118 HydrophobicContact CG-CD1 4.1Å; Y113-I118 HydrophobicContact CG-CG1 4.17Å; Y113-C128 PolarHBondContact OH-SG 3.18Å; Y113-P129 HydrophobicContact CE1-CB 3.99Å; Y113-P129 HydrophobicContact CE1-CG 3.93Å; Y113-P129 WeakPolarHBondContact OH-CD 3.27Å; Y113-S130 VanDerWaalsContact OH-CB 3.26Å; Y113-S130 WeakPolarHBondContact OH-CB 3.49Å; Y113-S130 PolarHBondContact OH-N 3.02Å; Y113-S130 VanDerWaalsContact OH-N 3.08Å; Y113-S130 PolarHBondContact OH-OG 3.23Å
114	H	98.3	Very high	96.2	Very high	10 Å²	10	37 Å²	37	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	135.8	163.1	-63.2	109	0	0	0	109.6	C91 C94 Y98 E102 L104 V116 C117 I118	C91-H114 VanDerWaalsContact CB-CE1 3.47Å; C91-H114 WeakPolarHBondContact CB-CE1 3.34Å; C91-H114 WeakPolarHBondContact CB-ND1 3.33Å; C91-H114 PolarHBondContact SG-ND1 3.13Å; C91-H114 VanDerWaalsContact SG-ND1 3.43Å; C94-H114 VanDerWaalsContact SG-CE1 3.58Å; C94-H114 PolarHBondContact SG-ND1 3.44Å; Y98-H114 AromaticContact CD1-CE1 3.9Å; Y98-H114 AromaticContact CD1-NE2 3.59Å; E102-H114 IonicContact OE1-CD2 3.8Å; E102-H114 IonicContact OE1-NE2 3.64Å; E102-H114 PolarHBondContact OE1-NE2 2.82Å; E102-H114 IonicContact OE2-CD2 3.99Å; E102-H114 PolarHBondContact OE2-CD2 3.11Å; E102-H114 VanDerWaalsContact OE2-CD2 3.27Å; E102-H114 IonicContact OE2-CE1 2.72Å; E102-H114 IonicContact OE2-NE2 3.72Å; E102-H114 PolarHBondContact OE2-NE2 3.01Å; L104-H114 HydrophobicContact CD2-CB 4.45Å; H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 2.9Å; H114-C117 HydrophobicContact CB-CB 4Å; H114-C117 WeakPolarHBondContact O-CB 3.44Å; H114-C117 PolarHBondContact O-N 3.44Å; H114-I118 WeakPolarHBondContact O-CG2 3.36Å; H114-I118 PolarHBondContact O-N 2.98Å
115	R	97.7	Very high	95.9	Very high	98 Å²	98	38.4 Å²	38.4	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-47.2	-51.9	177.1	173.9	-174.8	167.8	-176.6	-2.2	111.4	L77 E103 Y113 C117 I118 D119	L77-R115 HydrophobicContact CD2-CB 3.92Å; L77-R115 HydrophobicContact CD2-CG 3.8Å; E103-R115 HydrophobicContact CB-CB 4.04Å; E103-R115 WeakPolarHBondContact O-CB 3.38Å; E103-R115 PolarHBondContact O-N 2.72Å; E103-R115 IonicContact OE1-NH1 2.91Å; E103-R115 WeakPolarHBondContact OE2-CD 3.38Å; E103-R115 IonicContact OE2-CZ 2.67Å; E103-R115 IonicContact OE2-NE 3.93Å; E103-R115 IonicContact OE2-NH1 3.86Å; E103-R115 PolarHBondContact OE2-NH1 3.3Å; Y113-R115 PolarHBondContact O-N 2.87Å; R115-C117 PolarHBondContact O-N 3.46Å; R115-I118 WeakPolarHBondContact O-CG2 3.05Å; R115-I118 PolarHBondContact O-N 3.27Å; R115-D119 WeakPolarHBondContact CG-OD2 3.23Å; R115-D119 IonicContact NE-OD2 2.63Å; R115-D119 VanDerWaalsContact O-CB 3.25Å; R115-D119 WeakPolarHBondContact O-CB 3.22Å; R115-D119 PolarHBondContact O-N 3.37Å
116	V	96.5	Very high	95.7	Very high	81 Å²	81	40.6 Å²	40.6	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-46	-179	-178.3	0	0	0	0	111.4	H114 I118 D120	H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 2.9Å; V116-I118 PolarHBondContact O-N 2.84Å; V116-D120 WeakPolarHBondContact O-CB 3.43Å; V116-D120 PolarHBondContact O-N 3.09Å
117	C	98	Very high	95.7	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-42.9	-177.1	-65.9	0	0	0	0	112.4	C4 I93 H114 R115 W121	C4-C117 VanDerWaalsContact CB-SG 3.57Å; I93-C117 HydrophobicContact CB-CB 3.99Å; I93-C117 HydrophobicContact CD1-CB 3.95Å; I93-C117 HydrophobicContact CG2-CB 3.95Å; H114-C117 HydrophobicContact CB-CB 4Å; H114-C117 WeakPolarHBondContact O-CB 3.44Å; H114-C117 PolarHBondContact O-N 3.44Å; R115-C117 PolarHBondContact O-N 3.46Å; C117-W121 PolarHBondContact O-N 3.41Å
118	I	97.6	Very high	95.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-82.8	-32.8	-177.6	-169	61.1	0	0	0	112.7	I93 R105 L107 Y113 H114 R115 V116 D120 W121 L122 P129	I93-I118 HydrophobicContact CD1-CB 4.16Å; I93-I118 HydrophobicContact CD1-CD1 4Å; R105-I118 HydrophobicContact CB-CG2 3.76Å; R105-I118 HydrophobicContact CG-CG2 4.36Å; L107-I118 HydrophobicContact CD1-CD1 4.17Å; L107-I118 HydrophobicContact CD1-CG1 4.48Å; L107-I118 HydrophobicContact CD2-CG1 3.99Å; Y113-I118 HydrophobicContact CD2-CB 4.02Å; Y113-I118 HydrophobicContact CD2-CD1 3.71Å; Y113-I118 HydrophobicContact CD2-CG1 3.73Å; Y113-I118 HydrophobicContact CE2-CD1 3.94Å; Y113-I118 HydrophobicContact CE2-CG1 4.36Å; Y113-I118 HydrophobicContact CG-CB 3.99Å; Y113-I118 HydrophobicContact CG-CD1 4.1Å; Y113-I118 HydrophobicContact CG-CG1 4.17Å; H114-I118 WeakPolarHBondContact O-CG2 3.36Å; H114-I118 PolarHBondContact O-N 2.98Å; R115-I118 WeakPolarHBondContact O-CG2 3.05Å; R115-I118 PolarHBondContact O-N 3.27Å; V116-I118 PolarHBondContact O-N 2.84Å; I118-D120 PolarHBondContact O-N 3.49Å; I118-W121 HydrophobicContact CD1-CB 4.32Å; I118-W121 HydrophobicContact CD1-CG 4.37Å; I118-W121 PolarHBondContact O-N 2.69Å; I118-L122 HydrophobicContact CD1-CD1 4.44Å; I118-L122 HydrophobicContact CD1-CD2 4.34Å; I118-L122 HydrophobicContact CD1-CG 4.07Å; I118-L122 HydrophobicContact CG1-CD1 3.93Å; I118-L122 HydrophobicContact CG1-CG 4.01Å; I118-L122 WeakPolarHBondContact O-CB 3.49Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 2.93Å; I118-P129 HydrophobicContact CD1-CG 3.76Å
119	D	96.5	Very high	95.9	Very high	29 Å²	29	39.6 Å²	39.6	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-45.9	175.8	-70.3	-0.3	0	0	0	110.1	I72 R105 R115 W121 L122 M123	I72-D119 HydrophobicContact CG2-CB 4.25Å; I72-D119 VanDerWaalsContact CG2-OD1 3.29Å; I72-D119 WeakPolarHBondContact CG2-OD1 3.23Å; R105-D119 IonicContact CZ-OD1 3.51Å; R105-D119 VanDerWaalsContact CZ-OD1 3.24Å; R105-D119 IonicContact CZ-OD2 2.77Å; R105-D119 IonicContact NE-OD1 3.08Å; R105-D119 PolarHBondContact NE-OD1 3.23Å; R105-D119 IonicContact NE-OD2 3.02Å; R105-D119 IonicContact NH2-OD1 3.19Å; R105-D119 PolarHBondContact NH2-OD1 3.34Å; R105-D119 IonicContact NH2-OD2 3.24Å; R105-D119 PolarHBondContact NH2-OD2 3.25Å; R115-D119 WeakPolarHBondContact CG-OD2 3.23Å; R115-D119 IonicContact NE-OD2 2.63Å; R115-D119 VanDerWaalsContact O-CB 3.25Å; R115-D119 WeakPolarHBondContact O-CB 3.22Å; R115-D119 PolarHBondContact O-N 3.37Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.07Å; D119-L122 PolarHBondContact O-N 3.49Å; D119-M123 VanDerWaalsContact O-CG 3.32Å; D119-M123 WeakPolarHBondContact O-CG 3.46Å; D119-M123 PolarHBondContact O-N 2.83Å
120	D	94.4	Very high	95.9	Very high	69 Å²	69	41.2 Å²	41.2	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-61.7	-36.3	175.5	-78.8	-3	0	0	0	113.1	V116 I118 R124	V116-D120 WeakPolarHBondContact O-CB 3.43Å; V116-D120 PolarHBondContact O-N 3.09Å; I118-D120 PolarHBondContact O-N 3.49Å; D120-R124 PolarHBondContact O-NH1 3.19Å; D120-R124 VanDerWaalsContact O-NH1 3.09Å
121	W	95.7	Very high	96.1	Very high	94 Å²	94	41.7 Å²	41.7	36%	0.356	22%	0.215	S	C	.	.	H	α-helix	trans	-68.6	-47.8	175.8	174.6	-85.2	0	0	0	111.2	I93 C117 I118 D119 M123 R124 A125 T127 P129	I93-W121 HydrophobicContact CD1-CB 4.42Å; C117-W121 PolarHBondContact O-N 3.41Å; I118-W121 HydrophobicContact CD1-CB 4.32Å; I118-W121 HydrophobicContact CD1-CG 4.37Å; I118-W121 PolarHBondContact O-N 2.69Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.07Å; W121-M123 PolarHBondContact O-N 3.25Å; W121-R124 WeakPolarHBondContact O-CA 3.48Å; W121-R124 WeakPolarHBondContact O-CB 3.4Å; W121-R124 PolarHBondContact O-N 3.09Å; W121-A125 PolarHBondContact O-N 3.3Å; W121-T127 PolarHBondContact NE1-O 3.41Å; W121-P129 HydrophobicContact CD2-CG 3.95Å; W121-P129 HydrophobicContact CG-CG 3.99Å; W121-P129 HydrophobicContact CZ2-CB 4.45Å; W121-P129 HydrophobicContact CZ2-CG 4.33Å
122	L	95.8	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-26.8	-177.8	-67.7	-179.4	0	0	0	112.6	R68 I72 L75 L107 I118 D119 R124 A125 L126 I135	R68-L122 WeakPolarHBondContact CD-O 3.5Å; I72-L122 HydrophobicContact CD1-CB 3.54Å; I72-L122 HydrophobicContact CG1-CB 3.79Å; I72-L122 HydrophobicContact CG1-CD1 4.11Å; L75-L122 HydrophobicContact CD1-CD1 3.68Å; L107-L122 HydrophobicContact CD2-CD1 4.13Å; I118-L122 HydrophobicContact CD1-CD1 4.44Å; I118-L122 HydrophobicContact CD1-CD2 4.34Å; I118-L122 HydrophobicContact CD1-CG 4.07Å; I118-L122 HydrophobicContact CG1-CD1 3.93Å; I118-L122 HydrophobicContact CG1-CG 4.01Å; I118-L122 WeakPolarHBondContact O-CB 3.49Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 2.93Å; D119-L122 PolarHBondContact O-N 3.49Å; L122-R124 PolarHBondContact O-N 3.35Å; L122-R124 VanDerWaalsContact O-N 3.17Å; L122-A125 WeakPolarHBondContact CA-O 3.1Å; L122-A125 WeakPolarHBondContact CD2-O 3.13Å; L122-L126 HydrophobicContact CB-CD2 4.43Å; L122-I135 HydrophobicContact CD1-CD1 3.7Å; L122-I135 HydrophobicContact CD2-CD1 3.34Å; L122-I135 HydrophobicContact CD2-CG1 4.39Å; L122-I135 HydrophobicContact CG-CD1 4.17Å
123	M	93	Very high	95.9	Very high	37 Å²	37	48.1 Å²	48.1	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.3	168	-73.4	-59.7	-67.5	0	0	114.4	M44 I65 R68 M69 I72 D119 W121	M44-M123 HydrophobicContact SD-CE 4.33Å; I65-M123 HydrophobicContact CG2-CE 4.01Å; R68-M123 HydrophobicContact CG-SD 4.44Å; R68-M123 PolarHBondContact NH1-O 3.44Å; R68-M123 PolarHBondContact NH2-O 3.19Å; R68-M123 VanDerWaalsContact NH2-O 3.16Å; M69-M123 HydrophobicContact CG-CE 3.77Å; M69-M123 HydrophobicContact CG-SD 3.61Å; M69-M123 HydrophobicContact SD-CE 4.25Å; I72-M123 HydrophobicContact CD1-CG 4.02Å; I72-M123 HydrophobicContact CD1-SD 3.79Å; D119-M123 VanDerWaalsContact O-CG 3.32Å; D119-M123 WeakPolarHBondContact O-CG 3.46Å; D119-M123 PolarHBondContact O-N 2.83Å; W121-M123 PolarHBondContact O-N 3.25Å
124	R	91.6	Very high	95.7	Very high	117 Å²	117	52.9 Å²	52.9	44%	0.442	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-41.3	173.3	-63	177.6	-171.6	111.3	-1.5	112	H45 D120 W121 L122	H45-R124 HydrophobicContact CB-CG 4.29Å; H45-R124 VanDerWaalsContact CD2-CG 3.42Å; H45-R124 WeakPolarHBondContact CD2-CG 3.47Å; H45-R124 PolarHBondContact NE2-NE 2.82Å; H45-R124 VanDerWaalsContact NE2-NE 3.15Å; D120-R124 PolarHBondContact O-NH1 3.19Å; D120-R124 VanDerWaalsContact O-NH1 3.09Å; W121-R124 WeakPolarHBondContact O-CA 3.48Å; W121-R124 WeakPolarHBondContact O-CB 3.4Å; W121-R124 PolarHBondContact O-N 3.09Å; L122-R124 PolarHBondContact O-N 3.35Å; L122-R124 VanDerWaalsContact O-N 3.17Å
125	A	92.3	Very high	95.4	Very high	31 Å²	31	53.3 Å²	53.3	26%	0.256	27%	0.272	S	S	.	.			trans	-143.5	123.9	-179.6	0	0	0	0	0	111.1	W121 L122 T127	W121-A125 PolarHBondContact O-N 3.3Å; L122-A125 WeakPolarHBondContact CA-O 3.1Å; L122-A125 WeakPolarHBondContact CD2-O 3.13Å; A125-T127 PolarHBondContact O-N 3.05Å
126	L	93.5	Very high	94.9	Very high	49 Å²	49	55.7 Å²	55.7	26%	0.257	28%	0.281	S	S	.	.	S	Bend	trans	-78.7	45.7	177.7	-76.2	178.2	0	0	0	112.8	R68 L122 E134 I135	R68-L126 HydrophobicContact CG-CD1 4.24Å; R68-L126 HydrophobicContact CG-CD2 3.92Å; R68-L126 HydrophobicContact CG-CG 4.22Å; L122-L126 HydrophobicContact CB-CD2 4.43Å; L126-E134 CarbonylContact O-C 3.5Å; L126-E134 WeakPolarHBondContact O-CA 3.45Å; L126-I135 PolarHBondContact O-N 2.91Å
127	T	95.5	Very high	93.9	Very high	38 Å²	38	55.1 Å²	55.1	23%	0.233	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-129	141.5	-178.8	53.4	0	0	0	0	110.4	W121 A125 P129 E133 E134	W121-T127 PolarHBondContact NE1-O 3.41Å; A125-T127 PolarHBondContact O-N 3.05Å; T127-P129 WeakPolarHBondContact O-CD 3.39Å; T127-E133 WeakPolarHBondContact CA-O 3.36Å; T127-E134 HydrophobicContact CG2-CG 4.24Å
128	C	97.3	Very high	92.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.			trans	-63.9	126.5	174.5	171.9	0	0	0	0	111.3	L107 C109 H111 Y113 S130 C131 L132 E133	L107-C128 HydrophobicContact CD1-CB 3.66Å; C109-C128 PolarHBondContact SG-SG 3.37Å; H111-C128 PolarHBondContact ND1-SG 2.74Å; H111-C128 VanDerWaalsContact ND1-SG 3.36Å; Y113-C128 PolarHBondContact OH-SG 3.18Å; C128-S130 PolarHBondContact O-N 2.92Å; C128-S130 PolarHBondContact SG-N 3.28Å; C128-S130 VanDerWaalsContact SG-N 3.35Å; C128-C131 VanDerWaalsContact CB-SG 3.59Å; C128-C131 PolarHBondContact SG-SG 2.92Å; C128-L132 WeakPolarHBondContact O-CA 3.33Å; C128-L132 PolarHBondContact O-N 3.02Å; C128-E133 PolarHBondContact N-O 2.91Å
129	P	97.3	Very high	91	Very high	29 Å²	29	64.4 Å²	64.4	19%	0.188	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.3	176.1	-24.1	30.3	0	0	0	114.9	I92 I93 Y113 I118 W121 T127	I92-P129 HydrophobicContact CD1-CB 4.14Å; I93-P129 HydrophobicContact CD1-CG 3.98Å; I93-P129 HydrophobicContact CG1-CB 4.4Å; I93-P129 HydrophobicContact CG1-CG 4.14Å; Y113-P129 HydrophobicContact CE1-CB 3.99Å; Y113-P129 HydrophobicContact CE1-CG 3.93Å; Y113-P129 WeakPolarHBondContact OH-CD 3.27Å; I118-P129 HydrophobicContact CD1-CG 3.76Å; W121-P129 HydrophobicContact CD2-CG 3.95Å; W121-P129 HydrophobicContact CG-CG 3.99Å; W121-P129 HydrophobicContact CZ2-CB 4.45Å; W121-P129 HydrophobicContact CZ2-CG 4.33Å; T127-P129 WeakPolarHBondContact O-CD 3.39Å
130	S	97.1	Very high	89.3	Confident	52 Å²	52	68.4 Å²	68.4	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-37.9	-176.1	-61.6	0	0	0	0	113.7	I92 H111 Y113 C128	I92-S130 WeakPolarHBondContact CD1-OG 3.14Å; H111-S130 WeakPolarHBondContact CD2-CB 3.37Å; H111-S130 VanDerWaalsContact CG-CB 3.49Å; Y113-S130 VanDerWaalsContact OH-CB 3.26Å; Y113-S130 WeakPolarHBondContact OH-CB 3.49Å; Y113-S130 PolarHBondContact OH-N 3.02Å; Y113-S130 VanDerWaalsContact OH-N 3.08Å; Y113-S130 PolarHBondContact OH-OG 3.23Å; C128-S130 PolarHBondContact O-N 2.92Å; C128-S130 PolarHBondContact SG-N 3.28Å; C128-S130 VanDerWaalsContact SG-N 3.35Å
131	C	97.3	Very high	87.9	Confident	53 Å²	53	69.4 Å²	69.4	36%	0.358	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-2.5	-175.4	65	0	0	0	0	115.1	C109 C128 E133	C109-C131 VanDerWaalsContact SG-SG 3.67Å; C128-C131 VanDerWaalsContact CB-SG 3.59Å; C128-C131 PolarHBondContact SG-SG 2.92Å; C131-E133 PolarHBondContact O-N 2.67Å; C131-E133 WeakPolarHBondContact SG-CB 3.46Å
132	L	95.5	Very high	86.8	Confident	129 Å²	129	69.6 Å²	69.6	68%	0.675	37%	0.371	S	S	*	.			trans	60.6	9.3	-177.3	-52.4	175.5	0	0	0	114.8	C128 E134	C128-L132 WeakPolarHBondContact O-CA 3.33Å; C128-L132 PolarHBondContact O-N 3.02Å; L132-E134 PolarHBondContact O-N 2.85Å
133	E	95.2	Very high	85.5	Confident	85 Å²	85	75.7 Å²	75.7	40%	0.397	41%	0.408	S	S	.	.			trans	-65.9	132.4	174.8	-168.6	170.2	-167.6	0	0	110.1	C109 T127 C128 C131 K142	C109-E133 VanDerWaalsContact CB-OE2 3.23Å; C109-E133 WeakPolarHBondContact CB-OE2 3.48Å; T127-E133 WeakPolarHBondContact CA-O 3.36Å; C128-E133 PolarHBondContact N-O 2.91Å; C131-E133 PolarHBondContact O-N 2.67Å; C131-E133 WeakPolarHBondContact SG-CB 3.46Å; E133-K142 IonicContact OE1-NZ 2.72Å; E133-K142 PolarHBondContact OE1-NZ 2.94Å; E133-K142 IonicContact OE2-NZ 2.85Å; E133-K142 PolarHBondContact OE2-NZ 2.94Å
134	E	93.4	Very high	84.2	Confident	101 Å²	101	81.5 Å²	81.5	47%	0.472	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-67.1	136.7	176.5	-68.5	177.9	168.7	0	0	111.3	L126 T127 L132 R136	L126-E134 CarbonylContact O-C 3.5Å; L126-E134 WeakPolarHBondContact O-CA 3.45Å; T127-E134 HydrophobicContact CG2-CG 4.24Å; L132-E134 PolarHBondContact O-N 2.85Å; E134-R136 PolarHBondContact O-N 3.38Å; E134-R136 IonicContact OE2-CZ 3.58Å; E134-R136 IonicContact OE2-NE 3.34Å; E134-R136 PolarHBondContact OE2-NE 3.32Å; E134-R136 IonicContact OE2-NH2 2.89Å; E134-R136 PolarHBondContact OE2-NH2 3.03Å
135	I	92.8	Very high	82.9	Confident	18 Å²	18	80.1 Å²	80.1	9%	0.092	44%	0.436	C	S	.	.			trans	-87.1	108.2	174.2	-54	-174.8	0	0	0	108.5	L75 L107 P108 L122 L126	L75-I135 HydrophobicContact CD1-CD1 4.36Å; L75-I135 HydrophobicContact CD2-CG2 4.17Å; L107-I135 HydrophobicContact CD1-CD1 3.97Å; L107-I135 HydrophobicContact CD2-CD1 3.72Å; L107-I135 HydrophobicContact CG-CD1 4.33Å; P108-I135 HydrophobicContact CG-CG2 4.34Å; L122-I135 HydrophobicContact CD1-CD1 3.7Å; L122-I135 HydrophobicContact CD2-CD1 3.34Å; L122-I135 HydrophobicContact CD2-CG1 4.39Å; L122-I135 HydrophobicContact CG-CD1 4.17Å; L126-I135 PolarHBondContact O-N 2.91Å
136	R	87.3	Confident	81	Confident	148 Å²	148	86.1 Å²	86.1	56%	0.558	46%	0.463	S	S	*	.			trans	-101.5	145.3	177.4	-63.6	-177.3	-176.7	174.7	1.1	111.3	E134 N138 S139	E134-R136 PolarHBondContact O-N 3.38Å; E134-R136 IonicContact OE2-CZ 3.58Å; E134-R136 IonicContact OE2-NE 3.34Å; E134-R136 PolarHBondContact OE2-NE 3.32Å; E134-R136 IonicContact OE2-NH2 2.89Å; E134-R136 PolarHBondContact OE2-NH2 3.03Å; R136-N138 PolarHBondContact O-N 3.4Å; R136-S139 PolarHBondContact O-N 3.05Å; R136-S139 PolarHBondContact O-OG 2.88Å
137	P	75.4	Confident	78.9	Confident	70 Å²	70	90.1 Å²	90.1	46%	0.455	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.5	165.4	-13.7	23.9	0	0	0	109.2	L71 S139	L71-P137 HydrophobicContact CD1-CG 3.92Å; L71-P137 HydrophobicContact CD2-CB 3.74Å; L71-P137 HydrophobicContact CD2-CG 3.68Å; L71-P137 HydrophobicContact CG-CG 4.47Å; P137-S139 VanDerWaalsContact C-N 3.25Å; P137-S139 PolarHBondContact O-N 3.45Å
138	N	68.7	Low	76.5	Confident	165 Å²	165	95.6 Å²	95.6	88%	0.882	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	20.4	177.9	-46.6	-27	0	0	0	115.7	R136	R136-N138 PolarHBondContact O-N 3.4Å
139	S	65.5	Low	74.2	Confident	38 Å²	38	100.4 Å²	100.4	27%	0.266	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-59.3	126.1	167.9	46.1	0	0	0	0	109	P108 R136 P137 V141	P108-S139 VanDerWaalsContact CB-OG 3.24Å; P108-S139 WeakPolarHBondContact CB-OG 3.48Å; P108-S139 WeakPolarHBondContact CG-OG 3.37Å; R136-S139 PolarHBondContact O-N 3.05Å; R136-S139 PolarHBondContact O-OG 2.88Å; P137-S139 VanDerWaalsContact C-N 3.25Å; P137-S139 PolarHBondContact O-N 3.45Å; S139-V141 PolarHBondContact O-N 3.25Å
140	P	61.5	Low	71.6	Confident	113 Å²	113	107.4 Å²	107.4	73%	0.734	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.8	178.4	23.8	-31.9	0	0	0	108	K142	P140-K142 PolarHBondContact O-N 3.42Å
141	V	64.1	Low	68.9	Low	90 Å²	90	111.7 Å²	111.7	55%	0.545	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-57.1	116.8	172.1	179.4	0	0	0	0	106.5	L110 S139 V143	L110-V141 HydrophobicContact CD2-CG1 4.42Å; S139-V141 PolarHBondContact O-N 3.25Å; V141-V143 PolarHBondContact O-N 3.29Å
142	K	72.3	Confident	66	Low	99 Å²	99	115.6 Å²	115.6	43%	0.43	62%	0.617	S	S	.	*			trans	-60.9	111.3	175.5	-66.5	176.7	-173.2	171	0	106.3	P108 L110 E133 P140	P108-K142 PolarHBondContact O-N 2.93Å; L110-K142 HydrophobicContact CD1-CB 4.21Å; L110-K142 VanDerWaalsContact CD1-O 3.3Å; L110-K142 WeakPolarHBondContact CD1-O 3.34Å; L110-K142 WeakPolarHBondContact CD2-O 3.05Å; L110-K142 HydrophobicContact CG-CB 4.24Å; E133-K142 IonicContact OE1-NZ 2.72Å; E133-K142 PolarHBondContact OE1-NZ 2.94Å; E133-K142 IonicContact OE2-NZ 2.85Å; E133-K142 PolarHBondContact OE2-NZ 2.94Å; P140-K142 PolarHBondContact O-N 3.42Å
143	V	69.5	Low	63.3	Low	128 Å²	128	115.2 Å²	115.2	78%	0.776	62%	0.62	S	S	*	*			trans	-73.2	132.2	171	-178.8	0	0	0	0	106.6	V141 S145	V141-V143 PolarHBondContact O-N 3.29Å; V143-S145 PolarHBondContact O-N 3.43Å
144	R	65.8	Low	60.7	Low	159 Å²	159	116.9 Å²	116.9	60%	0.6	64%	0.636	S	S	*	*			trans	-65.5	99.2	169.1	-71.2	-173.1	174	173.1	-1.5	107.7	L110 N146	L110-R144 HydrophobicContact CD1-CG 3.51Å; R144-N146 PolarHBondContact O-N 3.49Å
145	S	64.2	Low	57.9	Low	88 Å²	88	118.3 Å²	118.3	62%	0.615	65%	0.647	S	S	*	*			trans	-66.9	114.8	164.4	53.1	0	0	0	0	107.5	V143 I147	V143-S145 PolarHBondContact O-N 3.43Å; S145-I147 VanDerWaalsContact C-N 3.26Å; S145-I147 PolarHBondContact O-N 2.93Å
146	N	51.8	Low	55.2	Low	156 Å²	156	124 Å²	124	83%	0.834	68%	0.678	S	S	*	*			trans	-63.6	92.1	164.1	-89.2	-4.4	0	0	0	107.4	R144 N148	R144-N146 PolarHBondContact O-N 3.49Å; N146-N148 PolarHBondContact O-N 2.71Å
147	I	50.1	Low	52.7	Low	133 Å²	133	123.3 Å²	123.3	68%	0.682	69%	0.685	S	S	*	*			trans	-77.7	76	166.7	-53.6	175.6	0	0	0	106.7	S145 S149	S145-I147 VanDerWaalsContact C-N 3.26Å; S145-I147 PolarHBondContact O-N 2.93Å; I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.25Å
148	N	44.2	Very low	50.8	Low	154 Å²	154	127.7 Å²	127.7	82%	0.824	70%	0.704	S	S	*	*			trans	-85.3	82.4	147.3	-92	6.4	0	0	0	106	N146	N146-N148 PolarHBondContact O-N 2.71Å
149	S	49.8	Very low	49	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	70%	0.702	S	S	*	*			trans	-161.5	102.7	158.2	-81	0	0	0	0	108.9	I147	I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.25Å
150	Q	42.4	Very low	47.5	Very low	177 Å²	177	130 Å²	130	83%	0.827	72%	0.721	S	S	*	*			trans	-55.5	151	150.8	-64.3	171	-12.6	0	0	108.8
151	N	40.7	Very low	45.9	Very low	141 Å²	141	131.4 Å²	131.4	75%	0.754	72%	0.723	S	S	*	*			trans	100	95.3	167.3	-53.2	-13.7	0	0	0	116	T153	N151-T153 PolarHBondContact O-N 3.13Å
152	T	35.4	Very low	44.3	Very low	136 Å²	136	133.9 Å²	133.9	83%	0.834	73%	0.733	S	S	*	*			trans	-38.1	118.3	143.4	49.2	0	0	0	0	111.9
153	T	39.1	Very low	42.3	Very low	121 Å²	121	137.5 Å²	137.5	74%	0.742	75%	0.751	S	S	*	*			trans	-148.4	106.2	144.4	-39.2	0	0	0	0	109	N151 N155	N151-T153 PolarHBondContact O-N 3.13Å; T153-N155 PolarHBondContact O-N 3.05Å
154	T	40	Very low	40.6	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	75%	0.748	S	S	*	*			trans	-48	112.1	158.6	-47.1	0	0	0	0	108.7
155	N	34.8	Very low	39.1	Very low	130 Å²	130	133.3 Å²	133.3	70%	0.695	75%	0.752	S	S	*	*			trans	-122.8	85.3	164.1	-117.1	-0.7	0	0	0	108.3	T153 N157	T153-N155 PolarHBondContact O-N 3.05Å; N155-N157 PolarHBondContact O-N 3.44Å
156	N	35.8	Very low	37.5	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	76%	0.76	S	S	*	*			trans	-62	113.7	149.2	-82.4	-19.8	0	0	0	106.7
157	N	36.4	Very low	36.5	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	75%	0.752	S	S	*	*			trans	-130.1	88.6	158.7	-90	-17	0	0	0	107.9	N155	N155-N157 PolarHBondContact O-N 3.44Å
158	N	35.5	Very low	35.5	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	75%	0.752	S	S	*	*			trans	-68.2	122.6	143.5	-69.8	-26.7	0	0	0	105.9
159	N	31.1	Very low	34.9	Very low	156 Å²	156	135 Å²	135	83%	0.834	75%	0.751	S	S	*	*			trans	-150.9	118.6	148.3	-141	9.3	0	0	0	111.6
160	S	32.2	Very low	33.8	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	76%	0.756	S	S	*	*			trans	-87.4	136.8	165.3	-63.4	0	0	0	0	108.7
161	N	29.6	Very low	33.2	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	76%	0.755	S	S	*	*			trans	75.1	139.7	151.4	-59.6	-11.2	0	0	0	120.5
162	N	28.9	Very low	32.6	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	75%	0.752	S	S	*	*			trans	97.2	102.3	157.8	-63.6	-1.6	0	0	0	118.4
163	E	30.6	Very low	32.2	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.813	75%	0.745	S	S	*	*				41.9	107	111.5	-117	173.2	162.8	0	0	117.4
164	S	34.8	Very low	31.6	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	75%	0.75	S	S	*	*			trans	36.3	107.5	145	55.1	0	0	0	0	118.8
165	S	33.2	Very low	30.9	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	76%	0.757	S	S	*	*			trans	81.8	102.2	131.4	-60.7	0	0	0	0	118.7
166	E	30.1	Very low	30.5	Very low	168 Å²	168	141 Å²	141	79%	0.785	76%	0.759	S	S	*	*				87.8	132.6	120.4	-71.2	-177.7	175.7	0	0	119.8
167	N	31	Very low	29.9	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	77%	0.765	S	S	*	*			trans	87.4	102.6	153.9	-67.4	-37.2	0	0	0	116.4
168	N	29.7	Very low	30.5	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	77%	0.771	S	S	*	*				87	148.8	66.9	-86	-31.6	0	0	0	112.1
169	N	32.1	Very low	30.6	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	77%	0.769	S	S	*	*			trans	99.9	93.7	169.8	-46.4	-33.6	0	0	0	112
170	N	25.6	Very low	30.9	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	77%	0.767	S	S	*	*			cis	65.8	92.4	39.2	-150.7	16.9	0	0	0	113.3
171	V	31.1	Very low	31.2	Very low	131 Å²	131	141.7 Å²	141.7	79%	0.794	77%	0.766	S	S	*	*			trans	-160.3	102.5	159.7	171.6	0	0	0	0	106.1
172	V	27.7	Very low	31	Very low	116 Å²	116	140.7 Å²	140.7	70%	0.703	77%	0.765	S	S	*	*				89.1	109.5	87.6	160.9	0	0	0	0	114.2
173	S	26.2	Very low	30.9	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	76%	0.762	S	S	*	*				79.7	149	124.4	-59.2	0	0	0	0	124.8
174	Q	27.2	Very low	30.5	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	76%	0.757	S	S	*	*			trans	92.7	105.6	156.8	-47.8	-168.1	19.8	0	0	115.1
175	R	25.4	Very low	30.5	Very low	233 Å²	233	137.9 Å²	137.9	88%	0.879	76%	0.757	S	S	*	*				59.2	119	78.8	-84.4	-165.8	-174.7	-174.2	2.8	114.4
176	N	27.2	Very low	30.3	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	76%	0.758	S	S	*	*			trans	153	113.7	137.5	-75.4	-7.1	0	0	0	108.8
177	E	22.1	Very low	30.2	Very low	184 Å²	184	140.8 Å²	140.8	86%	0.86	76%	0.76	S	S	*	*				77.2	131.6	94.8	-66.3	-166.7	179.4	0	0	115.8
178	N	48.9	Very low	30.4	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	77%	0.77	S	S	*	*			trans	-48	161.1	-178.5	-65	-42.6	0	0	0	114.7
179	P	37.2	Very low	30.4	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	77%	0.774	S	S	*	*				-158.5	-179.6	59	38.6	-13.3	0	0	0	119.2
180	V	38.6	Very low	30.5	Very low	130 Å²	130	142.9 Å²	142.9	79%	0.788	78%	0.777	S	S	*	*			trans	-49.1	171.1	158.1	-137.8	0	0	0	0	110.8
181	P	38.4	Very low	30.8	Very low	101 Å²	101	143.8 Å²	143.8	66%	0.656	78%	0.776	S	S	*	*			cis	-149.8	-171.5	6.9	43	-19.6	0	0	0	117.9
182	T	25.7	Very low	30.9	Very low	123 Å²	123	147.5 Å²	147.5	76%	0.755	78%	0.777	S	S	*	*			trans	85.2	111.1	140.7	-56.1	0	0	0	0	121.4
183	S	25.8	Very low	31.4	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	77%	0.774	S	S	*	*				62.9	131.2	124.3	-169.3	0	0	0	0	123.6
184	C	23.3	Very low	31.9	Very low	106 Å²	106	153.8 Å²	153.8	72%	0.716	78%	0.782	S	S	*	*			trans	71.9	133	139.4	74.8	0	0	0	0	123.1
185	H	33.7	Very low	32.5	Very low	153 Å²	153	157.1 Å²	157.1	71%	0.708	79%	0.787	S	S	*	*			trans	102.7	106.4	144.6	-86.2	14.9	0	0	0	121
186	Q	29.8	Very low	33.2	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	78%	0.775	S	S	*	*				69.9	102.1	126.9	-65.5	176	12.2	0	0	119.5
187	Q	28.6	Very low	34	Very low	178 Å²	178	147.7 Å²	147.7	83%	0.832	76%	0.763	S	S	*	*			trans	36.2	131.3	136	-68.5	-175.7	-17.3	0	0	119.4
188	P	34.2	Very low	35.2	Very low	133 Å²	133	146.4 Å²	146.4	86%	0.864	76%	0.761	S	S	*	*				-140.7	163.3	85.9	29	-9.2	0	0	0	115.5
189	T	29	Very low	35.2	Very low	125 Å²	125	144.1 Å²	144.1	77%	0.767	75%	0.753	S	S	*	*			trans	-76.9	124.8	-176.7	49.1	0	0	0	0	113.1
190	H	35	Very low	35.5	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.856	74%	0.744	S	S	*	*			trans	-150.9	144.8	139.2	-145.2	-89.8	0	0	0	111.9
191	E	31	Very low	35.8	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	75%	0.745	S	S	*	*			trans	-77	116.5	-160.6	-137.1	164.2	176.1	0	0	112.1
192	Y	34.2	Very low	36.1	Very low	209 Å²	209	154.5 Å²	154.5	82%	0.82	75%	0.754	S	S	*	*			trans	-149.8	110.3	156.5	-160.9	-110.8	0	0	0	111.2
193	N	37	Very low	36.7	Very low	116 Å²	116	153.8 Å²	153.8	62%	0.62	75%	0.754	S	S	*	*			trans	57.9	82.4	156.7	-65.3	-25.8	0	0	0	118.3	R195	N193-R195 PolarHBondContact O-N 3.1Å
194	R	36.7	Very low	37.2	Very low	229 Å²	229	159 Å²	159	86%	0.864	76%	0.759	S	S	*	*			trans	-44	106.5	158.5	-140.3	-175	-73.2	-114.5	3.4	110.3	T196	R194-T196 PolarHBondContact O-N 3.1Å
195	R	40.7	Very low	37.7	Very low	250 Å²	250	159.5 Å²	159.5	94%	0.943	76%	0.755	S	S	*	*			trans	-75.7	86.9	176	-159.8	175.9	-158.9	-124.5	5.4	108.8	N193	N193-R195 PolarHBondContact O-N 3.1Å
196	T	40.7	Very low	38	Very low	102 Å²	102	158.6 Å²	158.6	63%	0.626	76%	0.759	S	S	*	*			trans	-65	138.8	174.3	50	0	0	0	0	110.7	R194	R194-T196 PolarHBondContact O-N 3.1Å
197	S	42.7	Very low	38.2	Very low	71 Å²	71	157.2 Å²	157.2	50%	0.497	75%	0.753	S	S	.	*			trans	-71.5	154.8	-171.5	56.3	0	0	0	0	113.3	T199 E200	S197-T199 PolarHBondContact O-N 2.98Å; S197-T199 VanDerWaalsContact O-N 3.09Å; S197-T199 PolarHBondContact OG-OG1 3.28Å; S197-E200 PolarHBondContact O-N 2.92Å
198	I	49.1	Very low	38.8	Very low	158 Å²	158	154.9 Å²	154.9	81%	0.81	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-57.7	-23.9	-174.7	-75.6	165.3	0	0	0	113.6	E200	I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.72Å
199	T	48.9	Very low	39.1	Very low	111 Å²	111	152.2 Å²	152.2	68%	0.681	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-71.8	-24.9	-177.5	49.9	0	0	0	0	113.1	S197 R201	S197-T199 PolarHBondContact O-N 2.98Å; S197-T199 VanDerWaalsContact O-N 3.09Å; S197-T199 PolarHBondContact OG-OG1 3.28Å; T199-R201 VanDerWaalsContact C-N 3.31Å; T199-R201 PolarHBondContact O-N 2.84Å
200	E	43.1	Very low	39.5	Very low	135 Å²	135	151 Å²	151	63%	0.631	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-77.2	-17.3	-175.4	-127.9	143.3	-153.6	0	0	113.2	S197 I198	S197-E200 PolarHBondContact O-N 2.92Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.72Å
201	R	45.4	Very low	40.3	Very low	215 Å²	215	146.5 Å²	146.5	81%	0.811	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-81.8	-11.1	-179.7	-111.7	-178.3	-146.9	-136.6	3.5	115.1	T199	T199-R201 VanDerWaalsContact C-N 3.31Å; T199-R201 PolarHBondContact O-N 2.84Å
202	R	43.8	Very low	41.3	Very low	225 Å²	225	145.1 Å²	145.1	85%	0.849	70%	0.703	S	S	*	*	S	Bend	trans	-100.3	-4.4	-174.3	-87.9	-178.2	170.5	158.6	-2.8	115.9
203	S	37.2	Very low	41.9	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	69%	0.686	S	S	*	*			trans	-94.2	7.3	179.3	-55.8	0	0	0	0	114.7	N205	S203-N205 PolarHBondContact O-N 3.37Å
204	R	36.8	Very low	42.2	Very low	207 Å²	207	137.4 Å²	137.4	78%	0.781	68%	0.679	S	S	*	*	S	Bend	trans	-77.5	85.2	164.8	-67.8	-166.9	-148.8	133.5	2.6	108.9	V206	R204-V206 PolarHBondContact O-N 3.29Å; R204-V206 VanDerWaalsContact O-N 3.13Å
205	N	35.2	Very low	43.1	Very low	117 Å²	117	128.9 Å²	128.9	63%	0.626	66%	0.655	S	S	*	*			trans	36.7	71.4	142	-145.2	18.9	0	0	0	113.3	S203 Q207	S203-N205 PolarHBondContact O-N 3.37Å; N205-Q207 PolarHBondContact ND2-NE2 2.93Å; N205-Q207 PolarHBondContact O-N 2.83Å
206	V	38.5	Very low	43.6	Very low	133 Å²	133	123.3 Å²	123.3	81%	0.806	64%	0.639	S	S	*	*			trans	-73.4	73.6	155.4	-174.2	0	0	0	0	105.1	R204 S208	R204-V206 PolarHBondContact O-N 3.29Å; R204-V206 VanDerWaalsContact O-N 3.13Å; V206-S208 PolarHBondContact O-N 3.13Å
207	Q	33.9	Very low	44.6	Very low	123 Å²	123	123 Å²	123	58%	0.575	64%	0.638	S	S	*	*			trans	-51	135.5	147.1	-77.5	163.9	-20.8	0	0	104.7	N205 S209	N205-Q207 PolarHBondContact ND2-NE2 2.93Å; N205-Q207 PolarHBondContact O-N 2.83Å; Q207-S209 PolarHBondContact O-N 2.99Å; Q207-S209 PolarHBondContact O-OG 2.72Å
208	S	42.5	Very low	45	Very low	129 Å²	129	123.5 Å²	123.5	90%	0.902	63%	0.634	S	S	*	*			trans	-64.4	51.7	173.4	-50.2	0	0	0	0	110.6	V206 N210	V206-S208 PolarHBondContact O-N 3.13Å; S208-N210 PolarHBondContact O-N 3.25Å
209	S	39.2	Very low	45.3	Very low	78 Å²	78	121 Å²	121	55%	0.545	62%	0.619	S	S	.	*			trans	-80.5	103.9	-174	55	0	0	0	0	107.5	Q207	Q207-S209 PolarHBondContact O-N 2.99Å; Q207-S209 PolarHBondContact O-OG 2.72Å
210	N	38.7	Very low	45.9	Very low	100 Å²	100	124.8 Å²	124.8	54%	0.535	62%	0.62	S	S	.	*			trans	76.2	37.1	133.4	-62.7	-5.3	0	0	0	117.8	S208 Y212 T213	S208-N210 PolarHBondContact O-N 3.25Å; N210-Y212 PolarHBondContact O-N 3.31Å; N210-T213 HydrophobicContact CB-CG2 3.57Å; N210-T213 WeakPolarHBondContact CB-OG1 3.49Å; N210-T213 PolarHBondContact O-N 3.27Å; N210-T213 PolarHBondContact O-OG1 3.22Å
211	V	51.7	Low	47.2	Very low	89 Å²	89	121.4 Å²	121.4	54%	0.539	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.1	-27.3	156.2	-177.7	0	0	0	0	110.3
212	Y	50.5	Low	48.2	Very low	143 Å²	143	115.1 Å²	115.1	56%	0.561	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-12	-179.1	-56.2	-72	0	0	0	115.6	R64 N210 N214 S215	R64-Y212 HydrophobicContact CG-CE1 4.24Å; N210-Y212 PolarHBondContact O-N 3.31Å; Y212-N214 PolarHBondContact O-N 2.95Å; Y212-S215 WeakPolarHBondContact O-CA 3.33Å; Y212-S215 WeakPolarHBondContact O-CB 3.26Å; Y212-S215 PolarHBondContact O-N 2.99Å; Y212-S215 PolarHBondContact O-OG 2.73Å
213	T	47.7	Very low	49.1	Very low	74 Å²	74	109.2 Å²	109.2	45%	0.454	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-16.3	171	60.3	0	0	0	0	111.7	N210 S215	N210-T213 HydrophobicContact CB-CG2 3.57Å; N210-T213 WeakPolarHBondContact CB-OG1 3.49Å; N210-T213 PolarHBondContact O-N 3.27Å; N210-T213 PolarHBondContact O-OG1 3.22Å; T213-S215 PolarHBondContact O-N 3.44Å
214	N	44.3	Very low	50.6	Low	89 Å²	89	108.7 Å²	108.7	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-69.2	-13.5	166	-69.1	-18.4	0	0	0	112.2	Y212 E216 T217 I218	Y212-N214 PolarHBondContact O-N 2.95Å; N214-E216 VanDerWaalsContact C-N 3.32Å; N214-E216 PolarHBondContact O-N 2.01Å; N214-T217 PolarHBondContact O-N 3.22Å; N214-I218 HydrophobicContact CB-CD1 4.05Å; N214-I218 WeakPolarHBondContact O-CB 3.3Å; N214-I218 WeakPolarHBondContact O-CD1 3.38Å; N214-I218 WeakPolarHBondContact O-CG1 2.97Å; N214-I218 PolarHBondContact O-N 3.33Å
215	S	55.4	Low	52.2	Low	51 Å²	51	108.4 Å²	108.4	36%	0.357	56%	0.563	S	S	.	*	H	α-helix	trans	-61.2	-41.5	175.6	74.1	0	0	0	0	110.9	Y212 T213 I218 Q219	Y212-S215 WeakPolarHBondContact O-CA 3.33Å; Y212-S215 WeakPolarHBondContact O-CB 3.26Å; Y212-S215 PolarHBondContact O-N 2.99Å; Y212-S215 PolarHBondContact O-OG 2.73Å; T213-S215 PolarHBondContact O-N 3.44Å; S215-I218 PolarHBondContact O-N 2.87Å; S215-Q219 WeakPolarHBondContact O-CA 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.25Å; S215-Q219 WeakPolarHBondContact O-CG 3.35Å; S215-Q219 PolarHBondContact O-N 3.04Å
216	E	50.2	Low	53.5	Low	132 Å²	132	110 Å²	110	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-68.5	-39.8	178.4	-67.9	-171.6	163	0	0	112.2	N214 R220	N214-E216 VanDerWaalsContact C-N 3.32Å; N214-E216 PolarHBondContact O-N 2.01Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 WeakPolarHBondContact O-CG 3.11Å; E216-R220 PolarHBondContact O-N 3.3Å
217	T	61.2	Low	54.5	Low	96 Å²	96	109.4 Å²	109.4	59%	0.589	55%	0.551	S	S	*	*	H	α-helix	trans	-68.6	-40.9	177.4	-56.9	0	0	0	0	110.9	N214 R220 S221	N214-T217 PolarHBondContact O-N 3.22Å; T217-R220 PolarHBondContact O-N 2.75Å; T217-S221 WeakPolarHBondContact O-CB 3.28Å; T217-S221 PolarHBondContact O-N 3.35Å
218	I	51.8	Low	55.3	Low	81 Å²	81	107.2 Å²	107.2	42%	0.415	55%	0.549	S	S	.	.	H	α-helix	trans	-69.2	-44.4	176.5	-67.2	165.5	0	0	0	110.1	N214 S215 R220 S221 I222	N214-I218 HydrophobicContact CB-CD1 4.05Å; N214-I218 WeakPolarHBondContact O-CB 3.3Å; N214-I218 WeakPolarHBondContact O-CD1 3.38Å; N214-I218 WeakPolarHBondContact O-CG1 2.97Å; N214-I218 PolarHBondContact O-N 3.33Å; S215-I218 PolarHBondContact O-N 2.87Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.36Å; I218-S221 WeakPolarHBondContact CA-OG 3.26Å; I218-S221 CarbonylContact O-C 3.59Å; I218-S221 PolarHBondContact O-N 2.92Å; I218-S221 VanDerWaalsContact O-N 3.09Å; I218-S221 PolarHBondContact O-OG 2.65Å; I218-I222 HydrophobicContact CG2-CD1 3.69Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 WeakPolarHBondContact O-CB 3.44Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.28Å; I218-I222 PolarHBondContact O-N 3.1Å
219	Q	55.4	Low	55.5	Low	106 Å²	106	107.6 Å²	107.6	50%	0.495	54%	0.541	S	S	.	.	H	α-helix	trans	-58.3	-44	174.4	-79.8	171.7	-19.3	0	0	110.8	S215 I222 L223	S215-Q219 WeakPolarHBondContact O-CA 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.25Å; S215-Q219 WeakPolarHBondContact O-CG 3.35Å; S215-Q219 PolarHBondContact O-N 3.04Å; Q219-I222 PolarHBondContact O-N 3.05Å; Q219-L223 WeakPolarHBondContact O-CB 3.39Å; Q219-L223 PolarHBondContact O-N 2.89Å
220	R	62.2	Low	55.6	Low	190 Å²	190	110.1 Å²	110.1	72%	0.717	55%	0.549	S	S	*	.	H	α-helix	trans	-60.8	-46.2	171.7	-79	-179.4	179.3	-129.8	2.7	111.6	E216 T217 I218 I222 L223 E224	E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 WeakPolarHBondContact O-CG 3.11Å; E216-R220 PolarHBondContact O-N 3.3Å; T217-R220 PolarHBondContact O-N 2.75Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.36Å; R220-I222 VanDerWaalsContact C-N 3.28Å; R220-I222 PolarHBondContact O-N 3.11Å; R220-L223 PolarHBondContact O-N 3.37Å; R220-E224 WeakPolarHBondContact O-CB 3.25Å; R220-E224 VanDerWaalsContact O-CG 3.27Å; R220-E224 WeakPolarHBondContact O-CG 3.17Å; R220-E224 PolarHBondContact O-N 2.86Å
221	S	68.7	Low	55.7	Low	64 Å²	64	111.9 Å²	111.9	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-62.4	-35.1	178.3	78.5	0	0	0	0	113.1	T217 I218 R225	T217-S221 WeakPolarHBondContact O-CB 3.28Å; T217-S221 PolarHBondContact O-N 3.35Å; I218-S221 WeakPolarHBondContact CA-OG 3.26Å; I218-S221 CarbonylContact O-C 3.59Å; I218-S221 PolarHBondContact O-N 2.92Å; I218-S221 VanDerWaalsContact O-N 3.09Å; I218-S221 PolarHBondContact O-OG 2.65Å; S221-R225 WeakPolarHBondContact O-CB 3.42Å; S221-R225 PolarHBondContact O-N 2.91Å; S221-R225 VanDerWaalsContact O-N 3.12Å
222	I	67.2	Low	54.9	Low	83 Å²	83	114.7 Å²	114.7	43%	0.426	57%	0.57	S	S	.	*	H	α-helix	trans	-71.2	-48.1	175.5	-69.1	169.8	0	0	0	109.8	I218 Q219 R220 E224 R225 F226	I218-I222 HydrophobicContact CG2-CD1 3.69Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 WeakPolarHBondContact O-CB 3.44Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.28Å; I218-I222 PolarHBondContact O-N 3.1Å; Q219-I222 PolarHBondContact O-N 3.05Å; R220-I222 VanDerWaalsContact C-N 3.28Å; R220-I222 PolarHBondContact O-N 3.11Å; I222-E224 PolarHBondContact O-N 2.98Å; I222-R225 WeakPolarHBondContact O-CB 3.23Å; I222-R225 PolarHBondContact O-N 3.21Å; I222-F226 HydrophobicContact CG2-CD2 3.75Å; I222-F226 HydrophobicContact CG2-CE2 3.45Å; I222-F226 VanDerWaalsContact CG2-CE2 3.45Å; I222-F226 WeakPolarHBondContact O-CD2 3.42Å; I222-F226 PolarHBondContact O-N 3.43Å
223	L	63.6	Low	54.1	Low	101 Å²	101	114.8 Å²	114.8	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-61.9	-41.5	177.3	-113.4	72.2	0	0	0	112.4	Q219 R220 R225 F226 K227	Q219-L223 WeakPolarHBondContact O-CB 3.39Å; Q219-L223 PolarHBondContact O-N 2.89Å; R220-L223 PolarHBondContact O-N 3.37Å; L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 2.92Å; L223-F226 PolarHBondContact O-N 2.72Å; L223-K227 WeakPolarHBondContact O-CG 3.38Å; L223-K227 PolarHBondContact O-N 3.39Å
224	E	69	Low	53.3	Low	97 Å²	97	118.4 Å²	118.4	45%	0.453	60%	0.597	S	S	.	*	H	α-helix	trans	-67.2	-33	177.3	-72.4	-56	136.7	0	0	111.6	R220 I222 K227 S228	R220-E224 WeakPolarHBondContact O-CB 3.25Å; R220-E224 VanDerWaalsContact O-CG 3.27Å; R220-E224 WeakPolarHBondContact O-CG 3.17Å; R220-E224 PolarHBondContact O-N 2.86Å; I222-E224 PolarHBondContact O-N 2.98Å; E224-K227 PolarHBondContact O-N 3.19Å; E224-K227 IonicContact OE1-NZ 3.08Å; E224-K227 PolarHBondContact OE1-NZ 3.12Å; E224-K227 VanDerWaalsContact OE1-NZ 3.08Å; E224-S228 WeakPolarHBondContact O-CB 3.41Å; E224-S228 PolarHBondContact O-N 3.33Å; E224-S228 PolarHBondContact O-OG 3.45Å
225	R	69.1	Low	52.7	Low	201 Å²	201	120.5 Å²	120.5	76%	0.758	61%	0.608	S	S	*	*	H	α-helix	trans	-67.6	-36.1	171.6	-157.4	177.8	-78.6	-168.1	-4.7	111.5	S221 I222 L223 N229	S221-R225 WeakPolarHBondContact O-CB 3.42Å; S221-R225 PolarHBondContact O-N 2.91Å; S221-R225 VanDerWaalsContact O-N 3.12Å; I222-R225 WeakPolarHBondContact O-CB 3.23Å; I222-R225 PolarHBondContact O-N 3.21Å; L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 2.92Å; R225-N229 PolarHBondContact O-N 2.98Å
226	F	62.1	Low	51.6	Low	149 Å²	149	124.2 Å²	124.2	65%	0.654	62%	0.624	S	S	*	*	H	α-helix	trans	-71	-35.8	172.7	-76.8	-66.7	0	0	0	113.5	I222 L223	I222-F226 HydrophobicContact CG2-CD2 3.75Å; I222-F226 HydrophobicContact CG2-CE2 3.45Å; I222-F226 VanDerWaalsContact CG2-CE2 3.45Å; I222-F226 WeakPolarHBondContact O-CD2 3.42Å; I222-F226 PolarHBondContact O-N 3.43Å; L223-F226 PolarHBondContact O-N 2.72Å
227	K	60.9	Low	50.5	Low	121 Å²	121	125.5 Å²	125.5	53%	0.526	64%	0.635	S	S	.	*	H	α-helix	trans	-69.8	-40.4	175.4	-72.4	176.6	-172.9	169.5	0	112.5	L223 E224 N229 N230	L223-K227 WeakPolarHBondContact O-CG 3.38Å; L223-K227 PolarHBondContact O-N 3.39Å; E224-K227 PolarHBondContact O-N 3.19Å; E224-K227 IonicContact OE1-NZ 3.08Å; E224-K227 PolarHBondContact OE1-NZ 3.12Å; E224-K227 VanDerWaalsContact OE1-NZ 3.08Å; K227-N229 VanDerWaalsContact C-N 3.28Å; K227-N229 PolarHBondContact O-N 3.08Å; K227-N230 PolarHBondContact O-N 2.63Å
228	S	51.1	Low	48.8	Very low	77 Å²	77	124.2 Å²	124.2	54%	0.538	64%	0.641	S	S	.	*	H	α-helix	trans	-68.2	-29.2	179.4	-59.3	0	0	0	0	112.3	E224 N230	E224-S228 WeakPolarHBondContact O-CB 3.41Å; E224-S228 PolarHBondContact O-N 3.33Å; E224-S228 PolarHBondContact O-OG 3.45Å; S228-N230 PolarHBondContact O-N 3.44Å
229	N	45.5	Very low	47.8	Very low	138 Å²	138	126.8 Å²	126.8	74%	0.738	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-12.6	178.5	-128	37.5	0	0	0	113.9	R225 K227	R225-N229 PolarHBondContact O-N 2.98Å; K227-N229 VanDerWaalsContact C-N 3.28Å; K227-N229 PolarHBondContact O-N 3.08Å
230	N	42	Very low	46.3	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-5.6	-178.9	-128.5	5.2	0	0	0	113.8	K227 S228	K227-N230 PolarHBondContact O-N 2.63Å; S228-N230 PolarHBondContact O-N 3.44Å
231	N	39.2	Very low	44.9	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	68%	0.682	S	S	*	*	S	Bend	trans	-119.8	45.2	179.9	-77.7	-13.1	0	0	0	112.2
232	N	36.9	Very low	42.8	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	70%	0.702	S	S	*	*			trans	-149.3	50.5	164.2	-86.7	-33.3	0	0	0	110.4
233	N	32.3	Very low	40.9	Very low	144 Å²	144	126.4 Å²	126.4	77%	0.77	72%	0.72	S	S	*	*			trans	-102.6	85.1	155.5	-83.7	-21.1	0	0	0	106.7
234	N	31.2	Very low	39	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	74%	0.736	S	S	*	*			trans	-172.4	134.2	145	-91.3	-25.7	0	0	0	110.1
235	N	32.5	Very low	37.4	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	76%	0.759	S	S	*	*			trans	95.9	91.1	164.3	-57.3	-19.9	0	0	0	118.1
236	N	31.2	Very low	35.6	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	75%	0.753	S	S	*	*				89.4	109.2	115.4	-63	-21.6	0	0	0	119.4
237	N	26.9	Very low	33.9	Very low	158 Å²	158	127.5 Å²	127.5	85%	0.845	76%	0.758	S	S	*	*				45.8	119.5	119.9	-64.3	-10.8	0	0	0	118.8
238	G	26.9	Very low	32.6	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	78%	0.778	S	S	*	*			trans	134.4	116.5	131.2	0	0	0	0	0	116.2
239	T	29	Very low	31.6	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	79%	0.786	S	S	*	*			trans	97.2	101.6	139.7	-45	0	0	0	0	118.1
240	T	25.2	Very low	31.1	Very low	124 Å²	124	139.7 Å²	139.7	76%	0.761	79%	0.79	S	S	*	*			trans	-39	139.3	153.1	51.6	0	0	0	0	115.7
241	V	33.5	Very low	30.4	Very low	148 Å²	148	139.4 Å²	139.4	90%	0.897	79%	0.788	S	S	*	*			trans	-156.9	126	136	-90.4	0	0	0	0	108.8
242	G	23.6	Very low	30.1	Very low	85 Å²	85	140.7 Å²	140.7	88%	0.876	79%	0.794	S	S	*	*			trans	-78.5	167.8	172.7	0	0	0	0	0	112.7
243	G	27.4	Very low	29.7	Very low	78 Å²	78	138 Å²	138	80%	0.804	79%	0.787	S	S	*	*			trans	-176.5	78	176.6	0	0	0	0	0	110.8
244	D	24.3	Very low	29.6	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	79%	0.789	S	S	*	*			trans	-58.1	132.2	160.6	-87.9	-46.2	0	0	0	110.4
245	L	35	Very low	29.6	Very low	180 Å²	180	138.2 Å²	138.2	94%	0.942	79%	0.786	S	S	*	*			trans	-144.1	90.5	156.2	-75.3	179.6	0	0	0	108.9
246	S	30.3	Very low	29.5	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	78%	0.784	S	S	*	*			trans	-82.7	156.4	161.7	66.5	0	0	0	0	110.8
247	D	28.1	Very low	29.6	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	80%	0.795	S	S	*	*			trans	75.3	93.5	152.8	-51.3	-42.3	0	0	0	119.7
248	R	33.5	Very low	29.7	Very low	252 Å²	252	144 Å²	144	95%	0.951	79%	0.792	S	S	*	*			trans	-123.4	90.5	144.6	-77.9	-163.4	176	-178.1	0.9	110.4
249	N	28.5	Very low	30.3	Very low	131 Å²	131	151.1 Å²	151.1	70%	0.701	80%	0.798	S	S	*	*			trans	-80.2	118.4	168.3	-165.1	1.6	0	0	0	108.8
250	Y	36.7	Very low	30.5	Very low	210 Å²	210	153.2 Å²	153.2	82%	0.824	80%	0.798	S	S	*	*			trans	-116.9	97.3	170.7	-131.5	-90	0	0	0	108.4	L252	Y250-L252 HydrophobicContact CE1-CD1 4.42Å
251	N	26.4	Very low	31.4	Very low	125 Å²	125	155.1 Å²	155.1	67%	0.668	80%	0.798	S	S	*	*			trans	-74.5	122.5	166.6	-76.3	-53.5	0	0	0	108.7
252	L	33.3	Very low	31.8	Very low	163 Å²	163	156.9 Å²	156.9	85%	0.853	80%	0.796	S	S	*	*			trans	-128.4	102.7	159.8	-138.1	75.7	0	0	0	108.5	Y250	Y250-L252 HydrophobicContact CE1-CD1 4.42Å
253	S	28.3	Very low	32.6	Very low	91 Å²	91	162 Å²	162	64%	0.636	80%	0.797	S	S	*	*			trans	-96.2	154.3	177	41.4	0	0	0	0	110.7
254	H	30.2	Very low	33.3	Very low	178 Å²	178	166.8 Å²	166.8	82%	0.824	80%	0.798	S	S	*	*			trans	74.7	133.7	167.9	-64.5	-78	0	0	0	115.8
255	T	31.1	Very low	33.9	Very low	121 Å²	121	168 Å²	168	74%	0.742	80%	0.799	S	S	*	*			cis	-153.6	142.6	29.6	49.2	0	0	0	0	111.8
256	S	29.6	Very low	34.1	Very low	95 Å²	95	164.9 Å²	164.9	66%	0.664	79%	0.79	S	S	*	*			trans	-49.8	138.9	165.9	-56.3	0	0	0	0	114.5
257	R	34.4	Very low	34.5	Very low	246 Å²	246	169.2 Å²	169.2	93%	0.928	80%	0.8	S	S	*	*			trans	-124.8	92.4	146.8	-72.1	-171	-161.1	159.4	6.2	108.3	R259	R257-R259 PolarHBondContact O-N 2.87Å
258	Y	29.1	Very low	35.1	Very low	201 Å²	201	171.6 Å²	171.6	79%	0.788	81%	0.806	S	S	*	*			trans	-66.9	122	166.8	-84.1	-90.3	0	0	0	108.8
259	R	39.2	Very low	35.2	Very low	219 Å²	219	168 Å²	168	83%	0.826	80%	0.8	S	S	*	*			trans	-111.8	108.7	167.1	-163.8	174.9	-170.6	142.7	1.9	107.6	R257 H261	R257-R259 PolarHBondContact O-N 2.87Å; R259-H261 PolarHBondContact O-N 3.14Å
260	H	32.9	Very low	35.5	Very low	180 Å²	180	173.2 Å²	173.2	83%	0.833	81%	0.81	S	S	*	*			trans	-63.5	113.2	175.2	-68.8	-37.2	0	0	0	110
261	H	44.3	Very low	35.8	Very low	165 Å²	165	174.4 Å²	174.4	76%	0.764	81%	0.813	S	S	*	*			trans	-101.8	116.8	164.6	-108.7	-70.6	0	0	0	109	R259 Q263	R259-H261 PolarHBondContact O-N 3.14Å; H261-Q263 PolarHBondContact O-N 2.83Å
262	H	42.2	Very low	36.6	Very low	185 Å²	185	174.8 Å²	174.8	86%	0.856	82%	0.82	S	S	*	*			trans	-51.9	115.7	171.8	-102.5	-76.4	0	0	0	110.7	Q264	H262-Q264 PolarHBondContact O-N 3.42Å
263	Q	39.4	Very low	36.6	Very low	191 Å²	191	178 Å²	178	89%	0.893	82%	0.821	S	S	*	*			trans	-80.7	101.9	179	-142.6	158.1	21.2	0	0	108.6	H261	H261-Q263 PolarHBondContact O-N 2.83Å
264	Q	42.9	Very low	37.1	Very low	179 Å²	179	179.2 Å²	179.2	84%	0.836	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.1	126.2	167	-66.8	-178.4	55.2	0	0	108.2	H262 P266	H262-Q264 PolarHBondContact O-N 3.42Å; Q264-P266 WeakPolarHBondContact O-CD 3.25Å
265	Q	37	Very low	37.4	Very low	184 Å²	184	178.6 Å²	178.6	86%	0.86	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-65.6	121.5	-177.9	-63.1	173.8	34.5	0	0	110.4
266	P	38.3	Very low	37.7	Very low	116 Å²	116	175.1 Å²	175.1	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.5	127.6	168.9	28.6	-29.1	0	0	0	109.7	Q264 Q268	Q264-P266 WeakPolarHBondContact O-CD 3.25Å; P266-Q268 PolarHBondContact O-N 2.87Å
267	Q	39.2	Very low	38.1	Very low	181 Å²	181	176.9 Å²	176.9	85%	0.846	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-58.3	117.6	178.9	-60.9	-140.5	9.8	0	0	111.2	H269	Q267-H269 PolarHBondContact O-N 3.19Å; Q267-H269 VanDerWaalsContact O-N 3.1Å
268	Q	40.6	Very low	38.1	Very low	190 Å²	190	170.3 Å²	170.3	89%	0.888	82%	0.82	S	S	*	*			trans	-74	99.8	175	-60.8	-175.8	7	0	0	109.1	P266 R270	P266-Q268 PolarHBondContact O-N 2.87Å; Q268-R270 PolarHBondContact O-N 3.21Å; Q268-R270 VanDerWaalsContact O-N 3.1Å
269	H	36.3	Very low	38.4	Very low	176 Å²	176	172.2 Å²	172.2	82%	0.815	83%	0.826	S	S	*	*			trans	-59.2	112.4	166.6	-96.1	-99.9	0	0	0	109.4	Q267 R271	Q267-H269 PolarHBondContact O-N 3.19Å; Q267-H269 VanDerWaalsContact O-N 3.1Å; H269-R271 PolarHBondContact O-N 2.6Å
270	R	34.5	Very low	38.2	Very low	241 Å²	241	172.7 Å²	172.7	91%	0.909	83%	0.827	S	S	*	*			trans	-52.7	106.3	169.3	-102.3	-171.8	-177.3	179.5	2.5	109.3	Q268 T272	Q268-R270 PolarHBondContact O-N 3.21Å; Q268-R270 VanDerWaalsContact O-N 3.1Å; R270-T272 PolarHBondContact O-N 2.67Å
271	R	42.1	Very low	38.2	Very low	236 Å²	236	169.7 Å²	169.7	89%	0.891	83%	0.827	S	S	*	*			trans	-77	107.6	164.9	-69	-172.9	-174.3	-148.7	2.5	107.8	H269 R273	H269-R271 PolarHBondContact O-N 2.6Å; R271-R273 PolarHBondContact O-N 3.32Å
272	T	43	Very low	37.7	Very low	133 Å²	133	169.5 Å²	169.5	82%	0.816	83%	0.831	S	S	*	*			trans	-60.6	122.8	170.2	45.8	0	0	0	0	108.5	R270 S274	R270-T272 PolarHBondContact O-N 2.67Å; T272-S274 PolarHBondContact O-N 2.86Å
273	R	34.5	Very low	37.3	Very low	230 Å²	230	165.4 Å²	165.4	87%	0.868	82%	0.823	S	S	*	*			trans	-67.9	116.7	172	-69.7	178.1	175.3	-115.7	0.7	106.9	R271 I275	R271-R273 PolarHBondContact O-N 3.32Å; R273-I275 PolarHBondContact O-N 3.41Å
274	S	38.4	Very low	36.9	Very low	116 Å²	116	164.3 Å²	164.3	81%	0.811	82%	0.82	S	S	*	*			trans	-60.6	109.9	167.7	51.9	0	0	0	0	108.1	T272 G276	T272-S274 PolarHBondContact O-N 2.86Å; S274-G276 VanDerWaalsContact C-N 3.29Å; S274-G276 PolarHBondContact O-N 2.9Å
275	I	36.4	Very low	36.4	Very low	165 Å²	165	162.7 Å²	162.7	85%	0.846	82%	0.818	S	S	*	*			trans	-65.3	97.1	165.9	-63.9	95.9	0	0	0	105.7	R273	R273-I275 PolarHBondContact O-N 3.41Å
276	G	36.7	Very low	36.5	Very low	49 Å²	49	160.8 Å²	160.8	51%	0.505	81%	0.812	S	S	.	*	P	Polyproline II helix	trans	-61.2	148.6	170.1	0	0	0	0	0	109.6	S274 S278	S274-G276 VanDerWaalsContact C-N 3.29Å; S274-G276 PolarHBondContact O-N 2.9Å; G276-S278 PolarHBondContact O-N 3.14Å
277	P	37.7	Very low	36.2	Very low	132 Å²	132	164.1 Å²	164.1	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-57.6	134.4	-171.5	20.6	-30.7	0	0	0	111.7	R279	P277-R279 PolarHBondContact O-N 3.37Å
278	S	34.5	Very low	35.8	Very low	108 Å²	108	162.8 Å²	162.8	76%	0.755	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-56.7	131.8	-179.5	-177.4	0	0	0	0	111	G276 R280	G276-S278 PolarHBondContact O-N 3.14Å; S278-R280 VanDerWaalsContact C-N 3.25Å; S278-R280 PolarHBondContact O-N 3.02Å
279	R	36.8	Very low	35.8	Very low	241 Å²	241	159.2 Å²	159.2	91%	0.909	80%	0.804	S	S	*	*			trans	-67.5	82.8	173.8	-67	-176.6	-178.2	-120.3	2.4	109.3	P277	P277-R279 PolarHBondContact O-N 3.37Å
280	R	34.6	Very low	35.9	Very low	229 Å²	229	157.3 Å²	157.3	86%	0.864	81%	0.805	S	S	*	*			trans	-92.1	111.9	153.6	-82.3	-170.3	176.3	-157.7	0.1	107.9	S278 N282	S278-R280 VanDerWaalsContact C-N 3.25Å; S278-R280 PolarHBondContact O-N 3.02Å; R280-N282 PolarHBondContact O-N 3.39Å; R280-N282 VanDerWaalsContact O-N 3.09Å
281	S	33	Very low	36.2	Very low	117 Å²	117	153 Å²	153	82%	0.818	80%	0.797	S	S	*	*			trans	-60.7	100.1	175.5	-44	0	0	0	0	109.6
282	N	33.5	Very low	36.1	Very low	160 Å²	160	147 Å²	147	86%	0.856	79%	0.789	S	S	*	*			trans	-108.6	115.8	161.1	-88.9	21.9	0	0	0	109.4	R280	R280-N282 PolarHBondContact O-N 3.39Å; R280-N282 VanDerWaalsContact O-N 3.09Å
283	S	33.1	Very low	36	Very low	99 Å²	99	151.8 Å²	151.8	69%	0.692	79%	0.794	S	S	*	*			trans	-66.8	145.3	171.2	55.5	0	0	0	0	112.5
284	M	31.1	Very low	36	Very low	168 Å²	168	144 Å²	144	83%	0.828	79%	0.785	S	S	*	*			trans	66.4	142.3	164	-51.7	-56.2	175.7	0	0	114.9
285	N	33.1	Very low	36.1	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	79%	0.791	S	S	*	*			cis	-143	144.5	17.8	-103.4	-39.3	0	0	0	109.2
286	I	38.2	Very low	35.9	Very low	143 Å²	143	153.8 Å²	153.8	73%	0.733	80%	0.795	S	S	*	*			trans	-65.9	129.7	162.1	-84.2	152.4	0	0	0	107.3
287	F	33.2	Very low	36.2	Very low	187 Å²	187	163.1 Å²	163.1	82%	0.82	82%	0.815	S	S	*	*	S	Bend	trans	134	107	166	-71.3	-63.5	0	0	0	109.3
288	N	31	Very low	36.3	Very low	152 Å²	152	160 Å²	160	81%	0.813	81%	0.807	S	S	*	*			trans	77	88.1	174.1	-57.5	-15.8	0	0	0	117.4
289	V	39.4	Very low	36.6	Very low	116 Å²	116	162.8 Å²	162.8	70%	0.703	81%	0.813	S	S	*	*			trans	-126	88.8	146.3	-174.9	0	0	0	0	108	M291	V289-M291 VanDerWaalsContact C-N 3.33Å; V289-M291 HydrophobicContact CG1-CE 4.05Å; V289-M291 HydrophobicContact CG1-CG 4.17Å; V289-M291 HydrophobicContact CG1-SD 4.06Å; V289-M291 PolarHBondContact O-N 3.4Å
290	T	39.9	Very low	37	Very low	135 Å²	135	155.9 Å²	155.9	83%	0.828	80%	0.802	S	S	*	*			trans	-57.9	100.7	155.6	-56.8	0	0	0	0	106.7	P292	T290-P292 WeakPolarHBondContact O-CD 3.26Å
291	M	40.7	Very low	37.8	Very low	151 Å²	151	150.1 Å²	150.1	74%	0.744	79%	0.792	S	S	*	*			trans	-69.8	123	177.6	-84.1	-70	-176.5	0	0	109.1	V289 Y293	V289-M291 VanDerWaalsContact C-N 3.33Å; V289-M291 HydrophobicContact CG1-CE 4.05Å; V289-M291 HydrophobicContact CG1-CG 4.17Å; V289-M291 HydrophobicContact CG1-SD 4.06Å; V289-M291 PolarHBondContact O-N 3.4Å; M291-Y293 PolarHBondContact O-N 3.32Å
292	P	38.9	Very low	38.8	Very low	110 Å²	110	147.7 Å²	147.7	71%	0.714	77%	0.772	S	S	*	*			trans	-70.3	128.3	174.5	28.8	-29.9	0	0	0	108.8	T290 G294	T290-P292 WeakPolarHBondContact O-CD 3.26Å; P292-G294 PolarHBondContact O-N 2.96Å
293	Y	40.4	Very low	39.2	Very low	234 Å²	234	143.6 Å²	143.6	92%	0.918	76%	0.76	S	S	*	*	S	Bend	trans	-30.1	127.6	165.8	-63.2	-92.1	0	0	0	112.7	M291	M291-Y293 PolarHBondContact O-N 3.32Å
294	G	36.4	Very low	40	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	76%	0.758	S	S	*	*			trans	167.2	-13.2	165.8	0	0	0	0	0	121.1	P292 R296	P292-G294 PolarHBondContact O-N 2.96Å; G294-R296 PolarHBondContact O-N 2.96Å; G294-R296 VanDerWaalsContact O-N 3.08Å
295	Y	38.8	Very low	41.3	Very low	237 Å²	237	140.8 Å²	140.8	93%	0.929	74%	0.74	S	S	*	*			trans	-87.4	84.1	178.5	-85	-83	0	0	0	112.1	R297	Y295-R297 PolarHBondContact O-N 3.49Å; Y295-R297 VanDerWaalsContact O-N 3.08Å
296	R	33.7	Very low	42.2	Very low	249 Å²	249	139.5 Å²	139.5	94%	0.94	73%	0.73	S	S	*	*			trans	-60.9	103.6	162.5	-76.5	-173.4	-166.2	-130.9	2.1	109.2	G294	G294-R296 PolarHBondContact O-N 2.96Å; G294-R296 VanDerWaalsContact O-N 3.08Å
297	R	41.9	Very low	42.5	Very low	244 Å²	244	138.9 Å²	138.9	92%	0.921	73%	0.728	S	S	*	*			trans	-86	135.4	154.8	-96.7	-177.3	-168.7	-130.2	1.1	108.6	Y295	Y295-R297 PolarHBondContact O-N 3.49Å; Y295-R297 VanDerWaalsContact O-N 3.08Å
298	G	39.7	Very low	43.1	Very low	66 Å²	66	136 Å²	136	68%	0.68	72%	0.722	S	S	*	*			trans	-56.5	142.1	-173.9	0	0	0	0	0	114.2	S300	G298-S300 PolarHBondContact O-N 3.46Å
299	N	40.5	Very low	43.6	Very low	168 Å²	168	133.7 Å²	133.7	90%	0.898	72%	0.717	S	S	*	*	S	Bend	trans	34	79	150.9	-62.6	15.7	0	0	0	117.3
300	S	45.5	Very low	43.5	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	72%	0.72	S	S	*	*				-174.4	112.5	128.9	38.2	0	0	0	0	108.1	G298 T302	G298-S300 PolarHBondContact O-N 3.46Å; S300-T302 PolarHBondContact O-N 2.97Å
301	V	51.6	Low	43.5	Very low	108 Å²	108	134.9 Å²	134.9	66%	0.655	72%	0.717	S	S	*	*			trans	-67.9	115.4	165.7	177.4	0	0	0	0	105.6	D305 M306	V301-D305 HydrophobicContact CG1-CB 4.1Å; V301-M306 HydrophobicContact CG1-CE 3.73Å; V301-M306 HydrophobicContact CG1-CG 3.98Å
302	T	53.8	Low	43.1	Very low	65 Å²	65	135.5 Å²	135.5	40%	0.399	72%	0.718	S	S	.	*			trans	-85.2	155.6	174.6	63.9	0	0	0	0	109.4	S300 I304 D305	S300-T302 PolarHBondContact O-N 2.97Å; T302-I304 PolarHBondContact O-N 3.42Å; T302-D305 PolarHBondContact N-OD2 3.47Å; T302-D305 WeakPolarHBondContact O-CB 3.4Å; T302-D305 PolarHBondContact O-N 3.04Å; T302-D305 PolarHBondContact OG1-OD2 3.5Å
303	A	42	Very low	42.8	Very low	74 Å²	74	136.3 Å²	136.3	61%	0.612	72%	0.721	S	S	*	*	H	α-helix	trans	-56.5	-22.3	176.3	0	0	0	0	0	112.8	M306	A303-M306 PolarHBondContact O-N 3.43Å
304	I	50.6	Low	42.6	Very low	123 Å²	123	132.4 Å²	132.4	63%	0.631	72%	0.716	S	S	*	*	H	α-helix	trans	-69.1	-34.7	174.5	-62	167.4	0	0	0	111	T302 M306 L307	T302-I304 PolarHBondContact O-N 3.42Å; I304-M306 VanDerWaalsContact C-N 3.3Å; I304-M306 PolarHBondContact O-N 2.59Å; I304-L307 PolarHBondContact O-N 2.83Å
305	D	58.8	Low	42.5	Very low	85 Å²	85	135.9 Å²	135.9	46%	0.455	72%	0.719	S	S	.	*	H	α-helix	trans	-70.5	-27.1	177.6	-60.6	-51.1	0	0	0	112.3	V301 T302	V301-D305 HydrophobicContact CG1-CB 4.1Å; T302-D305 PolarHBondContact N-OD2 3.47Å; T302-D305 WeakPolarHBondContact O-CB 3.4Å; T302-D305 PolarHBondContact O-N 3.04Å; T302-D305 PolarHBondContact OG1-OD2 3.5Å
306	M	51.5	Low	42.1	Very low	119 Å²	119	131.8 Å²	131.8	59%	0.586	71%	0.713	S	S	*	*	H	α-helix	trans	-76.6	-27.5	178.4	-60.2	-170.1	-164	0	0	113	V301 A303 I304	V301-M306 HydrophobicContact CG1-CE 3.73Å; V301-M306 HydrophobicContact CG1-CG 3.98Å; A303-M306 PolarHBondContact O-N 3.43Å; I304-M306 VanDerWaalsContact C-N 3.3Å; I304-M306 PolarHBondContact O-N 2.59Å
307	L	44.3	Very low	42.2	Very low	131 Å²	131	128.6 Å²	128.6	69%	0.686	71%	0.709	S	S	*	*	H	α-helix	trans	-77.2	-22.2	-178.7	-70.5	171.7	0	0	0	113.1	I304	I304-L307 PolarHBondContact O-N 2.83Å
308	N	46.7	Very low	41.6	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-2.6	179.6	-74.7	-17.5	0	0	0	114.3
309	S	40	Very low	41.3	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	6	178.9	-61.8	0	0	0	0	114.6
310	I	37.1	Very low	40.8	Very low	147 Å²	147	125.3 Å²	125.3	75%	0.754	70%	0.695	S	S	*	*	S	Bend	trans	-112.2	1.9	-178.1	-63.9	174.6	0	0	0	112.9
311	V	39.9	Very low	40.3	Very low	129 Å²	129	127 Å²	127	78%	0.782	70%	0.695	S	S	*	*			trans	-121.7	61	175.9	-165.9	0	0	0	0	110.6
312	Q	32.3	Very low	39.2	Very low	164 Å²	164	128.6 Å²	128.6	77%	0.766	70%	0.7	S	S	*	*			trans	-141.5	98.9	160.1	-73.6	-174.7	4.9	0	0	107.6
313	T	33.4	Very low	38.4	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	72%	0.719	S	S	*	*			trans	154.2	106.4	148.7	40.8	0	0	0	0	107.9
314	N	35.6	Very low	38	Very low	152 Å²	152	140.5 Å²	140.5	81%	0.813	75%	0.751	S	S	*	*			trans	167.3	73.6	139.5	-77.6	-13.8	0	0	0	107
315	D	33.9	Very low	37.4	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	76%	0.757	S	S	*	*			trans	21.5	119.9	136.8	-53.8	-34.8	0	0	0	118.7
316	D	30.4	Very low	36.3	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	77%	0.773	S	S	*	*				16.1	103	128.4	-66.1	-31.6	0	0	0	117.2
317	H	36.4	Very low	35.4	Very low	182 Å²	182	145.7 Å²	145.7	84%	0.843	78%	0.783	S	S	*	*			trans	-137.6	98.1	141.5	-97.1	-58.8	0	0	0	110.4
318	S	29.7	Very low	34.9	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	79%	0.789	S	S	*	*			trans	-49.5	132.5	151.8	45.1	0	0	0	0	110.4
319	Y	33.3	Very low	34.2	Very low	210 Å²	210	147.8 Å²	147.8	82%	0.824	80%	0.796	S	S	*	*			trans	-159.9	112.5	135.4	-103.6	-73.4	0	0	0	109.9
320	S	29.7	Very low	33.8	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	80%	0.801	S	S	*	*			trans	-72.4	131	159.2	171.2	0	0	0	0	108.5
321	I	34.7	Very low	33.5	Very low	131 Å²	131	151.1 Å²	151.1	67%	0.672	80%	0.804	S	S	*	*			trans	-135.2	104.5	152.7	-83.3	119.9	0	0	0	106.7
322	N	28.6	Very low	33.1	Very low	143 Å²	143	152.8 Å²	152.8	77%	0.765	81%	0.806	S	S	*	*			trans	-59.8	137.1	151.1	-71.5	-32	0	0	0	108.2
323	N	37.4	Very low	33.1	Very low	150 Å²	150	151.8 Å²	151.8	80%	0.802	81%	0.809	S	S	*	*			trans	-138	133.6	152.6	-95	-26.5	0	0	0	109.3
324	N	34.4	Very low	33.1	Very low	238 Å²	238	154.1 Å²	154.1	100%	1.273	81%	0.812	S	S	*	*			trans	-44.5	0	-173.5	-73.9	-25.5	0	0	0	116.2

Retrieved 324 of 324 residues in 145.3 ms (Link to these results)

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