A0A077ZE86_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.8	Very low	42.5	Very low	211 Å²	211	120.7 Å²	120.7	100%	1.039	63%	0.631	S	S	*	*				0	-16.6	0	-98.1	176.1	-179.3	0	0	114.3
2	Q	40.4	Very low	42.8	Very low	160 Å²	160	116.8 Å²	116.8	75%	0.748	62%	0.621	S	S	*	*	H	α-helix	trans	-72.9	-29.3	174.9	-101.8	100	-5.3	0	0	115.3	I4 I5 T6	Q2-I4 PolarHBondContact O-N 3.23Å; Q2-I5 PolarHBondContact O-N 2.82Å; Q2-T6 PolarHBondContact O-OG1 3.46Å; Q2-T6 VanDerWaalsContact O-OG1 3.06Å
3	T	40.4	Very low	43.3	Very low	111 Å²	111	119.9 Å²	119.9	68%	0.681	63%	0.63	S	S	*	*	H	α-helix	trans	-69.4	-30.3	-170.2	-35.8	0	0	0	0	113.5	T6	T3-T6 PolarHBondContact O-N 3.08Å
4	I	41.3	Very low	43.3	Very low	140 Å²	140	119.9 Å²	119.9	72%	0.718	63%	0.63	S	S	*	*	H	α-helix	trans	-74	-32.1	-178.1	-62.6	174.8	0	0	0	111.7	Q2 T6	Q2-I4 PolarHBondContact O-N 3.23Å; I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 PolarHBondContact O-N 3.07Å
5	I	44.3	Very low	43.3	Very low	107 Å²	107	118.8 Å²	118.8	55%	0.549	62%	0.624	S	S	.	*	H	α-helix	trans	-72.2	-26.8	179	-59	175.8	0	0	0	110.9	Q2 K9	Q2-I5 PolarHBondContact O-N 2.82Å; I5-K9 PolarHBondContact O-N 3.13Å
6	T	42.5	Very low	43.5	Very low	80 Å²	80	122.4 Å²	122.4	49%	0.491	64%	0.636	S	S	.	*	H	α-helix	trans	-77.1	-36.3	-175.6	-44.2	0	0	0	0	111.6	Q2 T3 I4 K9 L10	Q2-T6 PolarHBondContact O-OG1 3.46Å; Q2-T6 VanDerWaalsContact O-OG1 3.06Å; T3-T6 PolarHBondContact O-N 3.08Å; I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 PolarHBondContact O-N 3.07Å; T6-K9 PolarHBondContact O-N 3Å; T6-L10 HydrophobicContact CG2-CD1 4.32Å; T6-L10 PolarHBondContact O-N 2.91Å
7	L	39.3	Very low	43.7	Very low	119 Å²	119	129.2 Å²	129.2	62%	0.623	65%	0.652	S	S	*	*	H	α-helix	trans	-69.1	-36.5	173.9	-80	162.1	0	0	0	112.5	K9 F11	L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3Å; L7-F11 WeakPolarHBondContact O-CB 3.47Å; L7-F11 PolarHBondContact O-N 2.96Å
8	G	38.6	Very low	43.5	Very low	43 Å²	43	132.9 Å²	132.9	44%	0.443	67%	0.666	S	S	.	*	H	α-helix	trans	-63.6	-36.1	176.2	0	0	0	0	0	113.6	S12	G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 PolarHBondContact O-OG 2.88Å
9	K	47.7	Very low	43.6	Very low	150 Å²	150	130.2 Å²	130.2	65%	0.652	68%	0.676	S	S	*	*	H	α-helix	trans	-77.6	-36.6	178.3	-74.7	-176.7	175.3	-175.8	0	113.5	I5 T6 L7 F11 S12 Q13	I5-K9 PolarHBondContact O-N 3.13Å; T6-K9 PolarHBondContact O-N 3Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3Å; K9-F11 VanDerWaalsContact C-N 3.32Å; K9-S12 PolarHBondContact O-N 3.32Å; K9-Q13 PolarHBondContact O-N 3.39Å
10	L	44.1	Very low	43.7	Very low	101 Å²	101	131.2 Å²	131.2	53%	0.529	68%	0.677	S	S	.	*	H	α-helix	trans	-66.2	-34.3	173.4	-99.2	136.7	0	0	0	112	T6 Q13	T6-L10 HydrophobicContact CG2-CD1 4.32Å; T6-L10 PolarHBondContact O-N 2.91Å; L10-Q13 PolarHBondContact O-N 3.26Å
11	F	41.6	Very low	43.4	Very low	106 Å²	106	127.1 Å²	127.1	47%	0.465	67%	0.667	S	S	.	*	H	α-helix	trans	-70.9	-34.6	175.6	-120.1	-98.9	0	0	0	112.8	L7 K9 Q13 L14 F24	L7-F11 WeakPolarHBondContact O-CB 3.47Å; L7-F11 PolarHBondContact O-N 2.96Å; K9-F11 VanDerWaalsContact C-N 3.32Å; F11-Q13 VanDerWaalsContact C-N 3.27Å; F11-Q13 PolarHBondContact O-N 2.97Å; F11-L14 PolarHBondContact O-N 2.95Å; F11-F24 HydrophobicContact CD1-CZ 4.28Å; F11-F24 HydrophobicContact CE1-CE1 4.28Å; F11-F24 HydrophobicContact CE1-CE2 4.48Å; F11-F24 AromaticContact CE1-CZ 3.66Å; F11-F24 HydrophobicContact CE1-CZ 3.66Å
12	S	46.8	Very low	43	Very low	74 Å²	74	122.8 Å²	122.8	52%	0.517	65%	0.645	S	S	.	*	H	α-helix	trans	-66.8	-25.3	175.6	-71.9	0	0	0	0	114	G8 K9 L14 L15	G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 PolarHBondContact O-OG 2.88Å; K9-S12 PolarHBondContact O-N 3.32Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L15 WeakPolarHBondContact O-CB 3.37Å
13	Q	49.2	Very low	42.7	Very low	157 Å²	157	121.6 Å²	121.6	73%	0.734	64%	0.643	S	S	*	*	H	α-helix	trans	-81.4	-14.2	176.3	-71.3	-179.4	-33.7	0	0	113.4	K9 L10 F11	K9-Q13 PolarHBondContact O-N 3.39Å; L10-Q13 PolarHBondContact O-N 3.26Å; F11-Q13 VanDerWaalsContact C-N 3.27Å; F11-Q13 PolarHBondContact O-N 2.97Å
14	L	43.6	Very low	42.6	Very low	120 Å²	120	119.6 Å²	119.6	63%	0.628	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-6	173.6	-74.2	162.1	0	0	0	112.7	F11 S12 E16	F11-L14 PolarHBondContact O-N 2.95Å; S12-L14 VanDerWaalsContact C-N 3.35Å; L14-E16 VanDerWaalsContact C-N 3.32Å; L14-E16 PolarHBondContact O-N 2.86Å
15	L	43.7	Very low	42.5	Very low	103 Å²	103	118.3 Å²	118.3	54%	0.539	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-5.4	-173.7	-75.8	170.8	0	0	0	115.5	S12 F24	S12-L15 WeakPolarHBondContact O-CB 3.37Å; L15-F24 HydrophobicContact CD2-CE1 4.05Å
16	E	45.9	Very low	42.1	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	11.5	-174.3	-68.7	-178.2	171.4	0	0	114.1	L14	L14-E16 VanDerWaalsContact C-N 3.32Å; L14-E16 PolarHBondContact O-N 2.86Å
17	R	47	Very low	41.7	Very low	238 Å²	238	117.7 Å²	117.7	90%	0.898	61%	0.611	S	S	*	*	S	Bend	trans	-107.9	120.8	176.5	-74.4	-172.1	173.4	-169.1	-1.9	112.4
18	E	39.3	Very low	41.6	Very low	195 Å²	195	114.5 Å²	114.5	91%	0.911	59%	0.594	S	S	*	*			trans	-58.7	144.9	-169.8	-58.8	172.9	143.7	0	0	114.4
19	G	45.9	Very low	41.7	Very low	82 Å²	82	116 Å²	116	85%	0.845	59%	0.591	S	S	*	*	S	Bend	trans	117.6	-18.7	151.6	0	0	0	0	0	119.4
20	E	45.4	Very low	41.1	Very low	149 Å²	149	115.7 Å²	115.7	70%	0.696	59%	0.587	S	S	*	*			trans	-115.6	29.2	-169.8	-64.8	-172.1	156.4	0	0	114.9	E22 F24	E20-E22 PolarHBondContact O-N 3.09Å; E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.32Å; E20-F24 PolarHBondContact O-N 2.91Å; E20-F24 VanDerWaalsContact O-N 3.07Å
21	G	37.3	Very low	40.8	Very low	46 Å²	46	114.6 Å²	114.6	47%	0.474	58%	0.584	S	S	.	*	H	α-helix	trans	-57.4	-35.5	-163.5	0	0	0	0	0	117.6	K25	G21-K25 WeakPolarHBondContact O-CB 3.14Å; G21-K25 WeakPolarHBondContact O-CD 3.2Å; G21-K25 WeakPolarHBondContact O-CG 3.38Å; G21-K25 PolarHBondContact O-N 2.74Å
22	E	39	Very low	40.6	Very low	121 Å²	121	113.9 Å²	113.9	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-86.7	-42.2	-176.2	-78.6	-57.3	135.6	0	0	113.8	E20 F24 K25 Q26	E20-E22 PolarHBondContact O-N 3.09Å; E22-F24 VanDerWaalsContact C-N 3.26Å; E22-F24 PolarHBondContact O-N 3.33Å; E22-K25 PolarHBondContact O-N 3.22Å; E22-K25 WeakPolarHBondContact OE1-CD 3.01Å; E22-K25 IonicContact OE1-NZ 3.95Å; E22-K25 PolarHBondContact OE1-NZ 3.19Å; E22-Q26 PolarHBondContact O-N 3.1Å
23	L	34.3	Very low	40.1	Very low	135 Å²	135	111.3 Å²	111.3	71%	0.707	56%	0.563	S	S	*	*	H	α-helix	trans	-63.2	-37.1	173.6	-88.5	153.3	0	0	0	110.9	Q26 A27	L23-Q26 PolarHBondContact O-N 3.39Å; L23-A27 WeakPolarHBondContact O-CB 3.31Å; L23-A27 PolarHBondContact O-N 2.86Å
24	F	37.9	Very low	39.4	Very low	68 Å²	68	111.3 Å²	111.3	30%	0.298	56%	0.556	S	S	.	*	H	α-helix	trans	-69.8	-38.7	176.3	-156.2	-104.2	0	0	0	112.4	F11 L15 E20 E22 Q26 A27 I28	F11-F24 HydrophobicContact CD1-CZ 4.28Å; F11-F24 HydrophobicContact CE1-CE1 4.28Å; F11-F24 HydrophobicContact CE1-CE2 4.48Å; F11-F24 AromaticContact CE1-CZ 3.66Å; F11-F24 HydrophobicContact CE1-CZ 3.66Å; L15-F24 HydrophobicContact CD2-CE1 4.05Å; E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.32Å; E20-F24 PolarHBondContact O-N 2.91Å; E20-F24 VanDerWaalsContact O-N 3.07Å; E22-F24 VanDerWaalsContact C-N 3.26Å; E22-F24 PolarHBondContact O-N 3.33Å; F24-Q26 PolarHBondContact O-N 3.12Å; F24-A27 PolarHBondContact O-N 3.09Å; F24-I28 HydrophobicContact CD1-CD1 3.5Å; F24-I28 VanDerWaalsContact CD1-CD1 3.5Å; F24-I28 HydrophobicContact CD1-CG1 4.1Å; F24-I28 HydrophobicContact CE1-CD1 3.58Å; F24-I28 HydrophobicContact CE1-CG1 4.11Å; F24-I28 VanDerWaalsContact O-CG1 3.29Å; F24-I28 WeakPolarHBondContact O-CG1 3.48Å; F24-I28 PolarHBondContact O-N 2.99Å
25	K	39	Very low	39.1	Very low	113 Å²	113	111.2 Å²	111.2	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-59.6	-44.8	171	-78.4	169.5	-165.1	175.2	0	111.5	G21 E22 I28 I29	G21-K25 WeakPolarHBondContact O-CB 3.14Å; G21-K25 WeakPolarHBondContact O-CD 3.2Å; G21-K25 WeakPolarHBondContact O-CG 3.38Å; G21-K25 PolarHBondContact O-N 2.74Å; E22-K25 PolarHBondContact O-N 3.22Å; E22-K25 WeakPolarHBondContact OE1-CD 3.01Å; E22-K25 IonicContact OE1-NZ 3.95Å; E22-K25 PolarHBondContact OE1-NZ 3.19Å; K25-I28 PolarHBondContact O-N 2.92Å; K25-I29 WeakPolarHBondContact O-CB 3.38Å; K25-I29 WeakPolarHBondContact O-CD1 3.35Å; K25-I29 WeakPolarHBondContact O-CG1 3.33Å; K25-I29 PolarHBondContact O-N 2.67Å
26	Q	35.3	Very low	38.8	Very low	126 Å²	126	106.8 Å²	106.8	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-41.2	176.1	-74.1	-177.5	-8.9	0	0	112	E22 L23 F24 I29 Y30	E22-Q26 PolarHBondContact O-N 3.1Å; L23-Q26 PolarHBondContact O-N 3.39Å; F24-Q26 PolarHBondContact O-N 3.12Å; Q26-I29 PolarHBondContact O-N 2.7Å; Q26-Y30 VanDerWaalsContact O-CB 3.31Å; Q26-Y30 WeakPolarHBondContact O-CB 3.26Å; Q26-Y30 PolarHBondContact O-N 2.72Å
27	A	34.1	Very low	38.1	Very low	48 Å²	48	102.3 Å²	102.3	40%	0.397	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-39.7	176.9	0	0	0	0	0	112.7	L23 F24 Y30 T31	L23-A27 WeakPolarHBondContact O-CB 3.31Å; L23-A27 PolarHBondContact O-N 2.86Å; F24-A27 PolarHBondContact O-N 3.09Å; A27-Y30 PolarHBondContact O-N 3.2Å; A27-T31 WeakPolarHBondContact O-CB 3.49Å; A27-T31 PolarHBondContact O-N 3.02Å; A27-T31 PolarHBondContact O-OG1 2.88Å
28	I	38.7	Very low	37.6	Very low	52 Å²	52	96.8 Å²	96.8	27%	0.267	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-48.1	173.3	-70.2	168.4	0	0	0	110	F24 K25 Y30 T31 Q32	F24-I28 HydrophobicContact CD1-CD1 3.5Å; F24-I28 VanDerWaalsContact CD1-CD1 3.5Å; F24-I28 HydrophobicContact CD1-CG1 4.1Å; F24-I28 HydrophobicContact CE1-CD1 3.58Å; F24-I28 HydrophobicContact CE1-CG1 4.11Å; F24-I28 VanDerWaalsContact O-CG1 3.29Å; F24-I28 WeakPolarHBondContact O-CG1 3.48Å; F24-I28 PolarHBondContact O-N 2.99Å; K25-I28 PolarHBondContact O-N 2.92Å; I28-Y30 VanDerWaalsContact C-N 3.3Å; I28-Y30 PolarHBondContact O-N 2.02Å; I28-T31 PolarHBondContact O-N 3.33Å; I28-Q32 HydrophobicContact CG2-CG 4.16Å; I28-Q32 VanDerWaalsContact O-CB 3.32Å; I28-Q32 WeakPolarHBondContact O-CB 3.46Å; I28-Q32 VanDerWaalsContact O-CG 3.31Å; I28-Q32 WeakPolarHBondContact O-CG 3.41Å; I28-Q32 PolarHBondContact O-N 3.26Å
29	I	40	Very low	38.1	Very low	76 Å²	76	91.1 Å²	91.1	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-58.1	-45.4	177.2	-70.7	164.2	0	0	0	109.9	K25 Q26 L33	K25-I29 WeakPolarHBondContact O-CB 3.38Å; K25-I29 WeakPolarHBondContact O-CD1 3.35Å; K25-I29 WeakPolarHBondContact O-CG1 3.33Å; K25-I29 PolarHBondContact O-N 2.67Å; Q26-I29 PolarHBondContact O-N 2.7Å; I29-L33 HydrophobicContact CG2-CD1 3.57Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.24Å; I29-L33 WeakPolarHBondContact O-CD1 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.37Å; I29-L33 PolarHBondContact O-N 2.78Å
30	Y	35.7	Very low	37.9	Very low	143 Å²	143	88.5 Å²	88.5	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-40.5	178.5	-169.2	-91.9	0	0	0	112.6	Q26 A27 I28 L33 R34	Q26-Y30 VanDerWaalsContact O-CB 3.31Å; Q26-Y30 WeakPolarHBondContact O-CB 3.26Å; Q26-Y30 PolarHBondContact O-N 2.72Å; A27-Y30 PolarHBondContact O-N 3.2Å; I28-Y30 VanDerWaalsContact C-N 3.3Å; I28-Y30 PolarHBondContact O-N 2.02Å; Y30-L33 PolarHBondContact O-N 3.25Å; Y30-R34 HydrophobicContact CE1-CG 4.33Å; Y30-R34 PolarHBondContact O-N 3.46Å
31	T	37.8	Very low	38	Very low	77 Å²	77	87.5 Å²	87.5	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-70.9	-43.3	178.8	-55.4	0	0	0	0	111.5	A27 I28 L33 R34 L35	A27-T31 WeakPolarHBondContact O-CB 3.49Å; A27-T31 PolarHBondContact O-N 3.02Å; A27-T31 PolarHBondContact O-OG1 2.88Å; I28-T31 PolarHBondContact O-N 3.33Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-R34 PolarHBondContact O-N 2.8Å; T31-L35 HydrophobicContact CG2-CD1 4.35Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 3.31Å
32	Q	36.9	Very low	38.3	Very low	91 Å²	91	87.9 Å²	87.9	43%	0.425	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-39	173.4	-73.2	-177.4	-10.5	0	0	111.5	I28 L35 G36 P43	I28-Q32 HydrophobicContact CG2-CG 4.16Å; I28-Q32 VanDerWaalsContact O-CB 3.32Å; I28-Q32 WeakPolarHBondContact O-CB 3.46Å; I28-Q32 VanDerWaalsContact O-CG 3.31Å; I28-Q32 WeakPolarHBondContact O-CG 3.41Å; I28-Q32 PolarHBondContact O-N 3.26Å; Q32-L35 PolarHBondContact O-N 2.96Å; Q32-G36 PolarHBondContact O-N 3.05Å; Q32-P43 HydrophobicContact CB-CB 4.29Å; Q32-P43 HydrophobicContact CB-CG 4.24Å
33	L	35.3	Very low	38.7	Very low	20 Å²	20	83 Å²	83	11%	0.105	43%	0.429	C	S	.	.	H	α-helix	trans	-60.8	-45.7	171.1	-83	158.9	0	0	0	110.7	I29 Y30 T31 L35 G36 L37 L82 F83	I29-L33 HydrophobicContact CG2-CD1 3.57Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.24Å; I29-L33 WeakPolarHBondContact O-CD1 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.37Å; I29-L33 PolarHBondContact O-N 2.78Å; Y30-L33 PolarHBondContact O-N 3.25Å; T31-L33 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 2.65Å; L33-G36 PolarHBondContact O-N 3.48Å; L33-L37 WeakPolarHBondContact O-CA 3.02Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CD1 3.32Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 3.32Å; L33-L82 HydrophobicContact CD1-CD1 3.87Å; L33-F83 HydrophobicContact CD2-CE1 4.08Å; L33-F83 HydrophobicContact CD2-CZ 4.07Å
34	R	35	Very low	39.6	Very low	158 Å²	158	85 Å²	85	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-60.7	-41.2	176.1	-100.3	-168.2	179.8	-161.9	2	113.2	Y30 T31 L37 T38	Y30-R34 HydrophobicContact CE1-CG 4.33Å; Y30-R34 PolarHBondContact O-N 3.46Å; T31-R34 PolarHBondContact O-N 2.8Å; R34-L37 WeakPolarHBondContact O-CB 2.99Å; R34-L37 PolarHBondContact O-N 3.38Å; R34-T38 PolarHBondContact O-N 2.03Å
35	L	38.5	Very low	40.1	Very low	118 Å²	118	85.3 Å²	85.3	62%	0.618	46%	0.461	S	S	*	.	H	α-helix	trans	-70.1	-43.6	177.1	-69.8	167	0	0	0	111.1	T31 Q32 L33 L37 T38	T31-L35 HydrophobicContact CG2-CD1 4.35Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 3.31Å; Q32-L35 PolarHBondContact O-N 2.96Å; L33-L35 PolarHBondContact O-N 2.65Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.33Å; L35-T38 PolarHBondContact O-N 3.11Å; L35-T38 PolarHBondContact O-OG1 3.49Å
36	G	35.5	Very low	40.1	Very low	9 Å²	9	81.8 Å²	81.8	9%	0.093	45%	0.448	C	S	.	.	H	α-helix	trans	-58.3	-43.6	172.4	0	0	0	0	0	112.1	Q32 L33 T38 S39 G40 Q41 Y113	Q32-G36 PolarHBondContact O-N 3.05Å; L33-G36 PolarHBondContact O-N 3.48Å; G36-T38 PolarHBondContact O-N 2.87Å; G36-T38 VanDerWaalsContact O-N 3.17Å; G36-S39 PolarHBondContact O-N 2.69Å; G36-G40 PolarHBondContact O-N 2.99Å; G36-G40 VanDerWaalsContact O-N 3.14Å; G36-Q41 WeakPolarHBondContact CA-O 3.48Å; G36-Y113 PolarHBondContact O-OH 3.46Å
37	L	32.4	Very low	40.6	Very low	84 Å²	84	84.8 Å²	84.8	44%	0.44	46%	0.459	S	S	.	.	H	α-helix	trans	-49.5	-38.7	177.8	-83.7	161.4	0	0	0	112.7	L33 R34 L35 M110 Y113	L33-L37 WeakPolarHBondContact O-CA 3.02Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CD1 3.32Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 3.32Å; R34-L37 WeakPolarHBondContact O-CB 2.99Å; R34-L37 PolarHBondContact O-N 3.38Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.33Å; L37-M110 HydrophobicContact CD2-CE 4.11Å; L37-Y113 VanDerWaalsContact C-OH 3.24Å; L37-Y113 WeakPolarHBondContact CA-OH 3.47Å; L37-Y113 HydrophobicContact CB-CE2 4.45Å; L37-Y113 HydrophobicContact CD2-CD2 3.54Å; L37-Y113 HydrophobicContact CD2-CE2 3.31Å; L37-Y113 HydrophobicContact CD2-CG 4.41Å; L37-Y113 HydrophobicContact CG-CD2 4.31Å; L37-Y113 HydrophobicContact CG-CE2 4.01Å; L37-Y113 PolarHBondContact N-OH 2.92Å; L37-Y113 PolarHBondContact O-OH 3.01Å
38	T	37.4	Very low	41.1	Very low	122 Å²	122	84 Å²	84	75%	0.748	45%	0.45	S	S	*	.	H	α-helix	trans	-77.5	-29.3	178.3	60.7	0	0	0	0	114.4	R34 L35 G36	R34-T38 PolarHBondContact O-N 2.03Å; L35-T38 PolarHBondContact O-N 3.11Å; L35-T38 PolarHBondContact O-OG1 3.49Å; G36-T38 PolarHBondContact O-N 2.87Å; G36-T38 VanDerWaalsContact O-N 3.17Å
39	S	47.9	Very low	41.3	Very low	76 Å²	76	86.4 Å²	86.4	53%	0.531	46%	0.463	S	S	.	.	H	α-helix	trans	-90.7	-13.9	-175.8	-173.5	0	0	0	0	113.3	G36 Q41	G36-S39 PolarHBondContact O-N 2.69Å; S39-Q41 VanDerWaalsContact C-N 3.26Å; S39-Q41 PolarHBondContact O-N 3.03Å
40	G	42.7	Very low	41.4	Very low	27 Å²	27	92.6 Å²	92.6	28%	0.278	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	52.1	-165.4	0	0	0	0	0	108.5	G36 Y112 Y113	G36-G40 PolarHBondContact O-N 2.99Å; G36-G40 VanDerWaalsContact O-N 3.14Å; G40-Y112 VanDerWaalsContact C-CE2 3.46Å; G40-Y112 VanDerWaalsContact CA-CZ 3.49Å; G40-Y112 WeakPolarHBondContact O-CE2 3.42Å; G40-Y112 PolarHBondContact O-OH 3.35Å; G40-Y113 WeakPolarHBondContact CA-OH 3.17Å; G40-Y113 PolarHBondContact N-OH 2.81Å
41	Q	47.9	Very low	41.6	Very low	127 Å²	127	88.7 Å²	88.7	59%	0.593	47%	0.473	S	S	*	.			trans	-143.6	132.1	170.2	-73.4	-171.5	-9.9	0	0	110.3	G36 S39 Y112	G36-Q41 WeakPolarHBondContact CA-O 3.48Å; S39-Q41 VanDerWaalsContact C-N 3.26Å; S39-Q41 PolarHBondContact O-N 3.03Å; Q41-Y112 WeakPolarHBondContact CA-OH 3.07Å; Q41-Y112 VanDerWaalsContact N-CZ 3.32Å; Q41-Y112 PolarHBondContact N-OH 2.94Å
42	L	43.6	Very low	41.6	Very low	54 Å²	54	95 Å²	95	28%	0.283	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.9	170.5	-81.9	165.6	0	0	0	109	V46 V48 F83 Y113	L42-V46 HydrophobicContact CD2-CG1 4.07Å; L42-V48 HydrophobicContact CD1-CG2 3.78Å; L42-F83 HydrophobicContact CD2-CD1 4.01Å; L42-F83 HydrophobicContact CD2-CE1 4.02Å; L42-Y113 HydrophobicContact CD2-CD1 4.18Å
43	P	47.4	Very low	42	Very low	19 Å²	19	92.3 Å²	92.3	12%	0.123	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-57.4	146.3	176.3	-23.7	33.5	0	0	0	112.3	Q32 G45 V46	Q32-P43 HydrophobicContact CB-CB 4.29Å; Q32-P43 HydrophobicContact CB-CG 4.24Å; P43-G45 PolarHBondContact O-N 3.18Å; P43-V46 HydrophobicContact CB-CG2 3.98Å; P43-V46 HydrophobicContact CG-CG2 4.35Å; P43-V46 WeakPolarHBondContact O-CB 3.4Å; P43-V46 PolarHBondContact O-N 3.09Å; P43-V46 VanDerWaalsContact O-N 3.16Å
44	I	52.7	Low	42.3	Very low	177 Å²	177	102.3 Å²	102.3	91%	0.908	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	129.9	177.7	-61.7	170.5	0	0	0	109.5
45	G	48.5	Very low	43	Very low	74 Å²	74	100.4 Å²	100.4	76%	0.763	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-13.7	179.7	0	0	0	0	0	115	P43	P43-G45 PolarHBondContact O-N 3.18Å
46	V	38.9	Very low	43.6	Very low	39 Å²	39	96.4 Å²	96.4	24%	0.236	50%	0.5	C	S	.	.			trans	-81.4	122.8	176.8	174.8	0	0	0	0	110.6	L42 P43 F83	L42-V46 HydrophobicContact CD2-CG1 4.07Å; P43-V46 HydrophobicContact CB-CG2 3.98Å; P43-V46 HydrophobicContact CG-CG2 4.35Å; P43-V46 WeakPolarHBondContact O-CB 3.4Å; P43-V46 PolarHBondContact O-N 3.09Å; P43-V46 VanDerWaalsContact O-N 3.16Å; V46-F83 HydrophobicContact CB-CE1 4.35Å; V46-F83 HydrophobicContact CG1-CB 4.29Å; V46-F83 HydrophobicContact CG1-CD1 3.11Å; V46-F83 HydrophobicContact CG1-CD2 3.88Å; V46-F83 HydrophobicContact CG1-CE1 3.19Å; V46-F83 HydrophobicContact CG1-CE2 3.92Å; V46-F83 HydrophobicContact CG1-CG 3.47Å; V46-F83 VanDerWaalsContact CG1-CG 3.47Å; V46-F83 HydrophobicContact CG1-CZ 3.58Å; V46-F83 HydrophobicContact CG2-CE1 4.34Å; V46-F83 HydrophobicContact CG2-CE2 4.49Å; V46-F83 HydrophobicContact CG2-CZ 4.06Å
47	K	45.1	Very low	44.4	Very low	189 Å²	189	98.5 Å²	98.5	82%	0.822	52%	0.522	S	S	*	.			trans	-111.7	134.8	174	-67.5	-177.8	-178.9	176.3	0	110.3
48	V	45.6	Very low	45.5	Very low	33 Å²	33	98.4 Å²	98.4	20%	0.2	52%	0.522	C	S	.	.			trans	-76	125.8	172.3	179.8	0	0	0	0	109.2	L42 R50 F83 S114	L42-V48 HydrophobicContact CD1-CG2 3.78Å; V48-R50 HydrophobicContact CG1-CG 4.43Å; V48-R50 PolarHBondContact O-N 3.17Å; V48-F83 CarbonylContact C-O 3.53Å; V48-F83 WeakPolarHBondContact CA-O 3.46Å; V48-S114 WeakPolarHBondContact CG1-OG 3.5Å; V48-S114 WeakPolarHBondContact CG2-OG 3Å
49	N	42.8	Very low	46.6	Very low	101 Å²	101	94.2 Å²	94.2	54%	0.54	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-66.4	104.7	170.3	-173.1	1.4	0	0	0	109.4	V51 F83 S85	N49-V51 PolarHBondContact O-N 2.87Å; N49-F83 PolarHBondContact N-O 3.14Å; N49-S85 PolarHBondContact O-N 2.92Å; N49-S85 VanDerWaalsContact O-N 3.08Å
50	R	42	Very low	47.4	Very low	206 Å²	206	91.8 Å²	91.8	78%	0.777	48%	0.475	S	S	*	.			trans	-96.3	83.8	175.4	-65.5	-176.2	-176.4	-177	2.2	108.7	V48 K52	V48-R50 HydrophobicContact CG1-CG 4.43Å; V48-R50 PolarHBondContact O-N 3.17Å; R50-K52 PolarHBondContact O-N 3.33Å
51	V	40.2	Very low	48.4	Very low	62 Å²	62	93.5 Å²	93.5	38%	0.376	48%	0.483	S	S	.	.			trans	-64	120.7	166.2	-173.9	0	0	0	0	107.6	N49 I53 A88	N49-V51 PolarHBondContact O-N 2.87Å; V51-I53 VanDerWaalsContact C-N 3.27Å; V51-I53 HydrophobicContact CB-CD1 4.42Å; V51-I53 HydrophobicContact CB-CG1 4.11Å; V51-I53 HydrophobicContact CG1-CD1 4.4Å; V51-I53 HydrophobicContact CG1-CG1 3.71Å; V51-I53 PolarHBondContact O-N 3.38Å; V51-A88 HydrophobicContact CB-CB 4.11Å; V51-A88 HydrophobicContact CG2-CB 3.95Å
52	K	38.1	Very low	49.4	Very low	209 Å²	209	92 Å²	92	91%	0.909	48%	0.476	S	S	*	.			trans	-72.9	86.9	169.1	-79.5	-173.2	179.7	179.6	0	108.2	R50	R50-K52 PolarHBondContact O-N 3.33Å
53	I	44.7	Very low	50.9	Low	34 Å²	34	89.9 Å²	89.9	17%	0.174	47%	0.466	C	S	.	.			trans	-81.6	120.4	172.9	-61.5	166.8	0	0	0	106.5	V51 V56 A87 A88 Q91	V51-I53 VanDerWaalsContact C-N 3.27Å; V51-I53 HydrophobicContact CB-CD1 4.42Å; V51-I53 HydrophobicContact CB-CG1 4.11Å; V51-I53 HydrophobicContact CG1-CD1 4.4Å; V51-I53 HydrophobicContact CG1-CG1 3.71Å; V51-I53 PolarHBondContact O-N 3.38Å; I53-V56 HydrophobicContact CB-CG2 3.44Å; I53-V56 VanDerWaalsContact CB-CG2 3.44Å; I53-V56 HydrophobicContact CG2-CG2 3.63Å; I53-V56 WeakPolarHBondContact O-CG2 3.46Å; I53-A87 HydrophobicContact CD1-CB 3.71Å; I53-A87 VanDerWaalsContact CD1-O 3.32Å; I53-A87 WeakPolarHBondContact CD1-O 3.32Å; I53-A88 HydrophobicContact CD1-CB 4.13Å; I53-Q91 HydrophobicContact CD1-CB 3.93Å
54	R	41	Very low	52.7	Low	231 Å²	231	89.4 Å²	89.4	87%	0.872	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	133.6	169.4	-64.7	-177.6	-179.5	-170.9	-0.2	106.8
55	N	49.3	Very low	54.1	Low	117 Å²	117	85.6 Å²	85.6	63%	0.626	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	35.1	174.6	-53.1	-11.6	0	0	0	116.6	G57 D58 L59	N55-G57 PolarHBondContact O-N 3.16Å; N55-D58 HydrophobicContact CB-CB 4.12Å; N55-D58 WeakPolarHBondContact CB-OD2 3.31Å; N55-D58 WeakPolarHBondContact O-CB 3.47Å; N55-D58 PolarHBondContact O-N 3.39Å; N55-D58 VanDerWaalsContact O-N 3.09Å; N55-L59 PolarHBondContact O-N 3.31Å
56	V	52.4	Low	56	Low	34 Å²	34	87 Å²	87	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-57.9	-37	172.1	-179.1	0	0	0	0	112.4	I53 D58 L59 I60 A87	I53-V56 HydrophobicContact CB-CG2 3.44Å; I53-V56 VanDerWaalsContact CB-CG2 3.44Å; I53-V56 HydrophobicContact CG2-CG2 3.63Å; I53-V56 WeakPolarHBondContact O-CG2 3.46Å; V56-D58 PolarHBondContact O-N 2.89Å; V56-L59 PolarHBondContact O-N 3.05Å; V56-I60 HydrophobicContact CG1-CD1 3.76Å; V56-I60 HydrophobicContact CG1-CG1 4.23Å; V56-I60 WeakPolarHBondContact O-CG1 3.42Å; V56-I60 PolarHBondContact O-N 3.28Å; V56-A87 HydrophobicContact CB-CB 4.12Å; V56-A87 HydrophobicContact CG1-CB 3.5Å; V56-A87 VanDerWaalsContact CG1-CB 3.5Å; V56-A87 HydrophobicContact CG2-CB 3.42Å; V56-A87 VanDerWaalsContact CG2-CB 3.42Å
57	G	51.2	Low	58.1	Low	54 Å²	54	86.6 Å²	86.6	56%	0.557	42%	0.424	S	S	*	.	H	α-helix	trans	-56.7	-43.4	176	0	0	0	0	0	111.1	N55 S61	N55-G57 PolarHBondContact O-N 3.16Å; G57-S61 WeakPolarHBondContact O-CB 3.24Å; G57-S61 PolarHBondContact O-N 2.96Å; G57-S61 PolarHBondContact O-OG 3.25Å
58	D	55.4	Low	60.1	Low	81 Å²	81	85 Å²	85	43%	0.433	41%	0.412	S	S	.	.	H	α-helix	trans	-70.5	-43.9	176.9	-56.7	-31.7	0	0	0	111.2	N55 V56 I60 S61 H62	N55-D58 HydrophobicContact CB-CB 4.12Å; N55-D58 WeakPolarHBondContact CB-OD2 3.31Å; N55-D58 WeakPolarHBondContact O-CB 3.47Å; N55-D58 PolarHBondContact O-N 3.39Å; N55-D58 VanDerWaalsContact O-N 3.09Å; V56-D58 PolarHBondContact O-N 2.89Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.16Å; D58-S61 WeakPolarHBondContact CA-OG 3.29Å; D58-S61 PolarHBondContact O-N 2.83Å; D58-S61 PolarHBondContact O-OG 3.21Å; D58-H62 WeakPolarHBondContact O-CB 3.32Å; D58-H62 PolarHBondContact O-N 2.81Å; D58-H62 PolarHBondContact O-ND1 3.07Å
59	L	60.8	Low	62.1	Low	34 Å²	34	85.8 Å²	85.8	18%	0.178	42%	0.415	C	S	.	.	H	α-helix	trans	-56	-46.3	175.8	-174.9	72	0	0	0	111.5	N55 V56 C63 F64 L90 Q91 T94	N55-L59 PolarHBondContact O-N 3.31Å; V56-L59 PolarHBondContact O-N 3.05Å; L59-C63 HydrophobicContact CD1-CB 4.4Å; L59-C63 WeakPolarHBondContact O-CB 3.47Å; L59-C63 PolarHBondContact O-N 3.47Å; L59-F64 HydrophobicContact CG-CE2 4.27Å; L59-L90 HydrophobicContact CD2-CB 4.15Å; L59-Q91 HydrophobicContact CD2-CB 4.22Å; L59-T94 HydrophobicContact CD1-CG2 4.06Å
60	I	65.9	Low	64.1	Low	25 Å²	25	81.4 Å²	81.4	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-48.3	177.2	-69.3	168.6	0	0	0	110.4	V56 D58 H62 F64 L90 Y140	V56-I60 HydrophobicContact CG1-CD1 3.76Å; V56-I60 HydrophobicContact CG1-CG1 4.23Å; V56-I60 WeakPolarHBondContact O-CG1 3.42Å; V56-I60 PolarHBondContact O-N 3.28Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.16Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 2.86Å; I60-F64 PolarHBondContact O-N 3.09Å; I60-L90 HydrophobicContact CD1-CD1 3.9Å; I60-L90 HydrophobicContact CG1-CD1 3.42Å; I60-L90 VanDerWaalsContact CG1-CD1 3.42Å; I60-Y140 HydrophobicContact CG1-CE1 4.49Å; I60-Y140 HydrophobicContact CG2-CE1 4.17Å
61	S	62.6	Low	66.5	Low	64 Å²	64	72.5 Å²	72.5	45%	0.448	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-22.7	-174.3	65.1	0	0	0	0	114.1	G57 D58 R145	G57-S61 WeakPolarHBondContact O-CB 3.24Å; G57-S61 PolarHBondContact O-N 2.96Å; G57-S61 PolarHBondContact O-OG 3.25Å; D58-S61 WeakPolarHBondContact CA-OG 3.29Å; D58-S61 PolarHBondContact O-N 2.83Å; D58-S61 PolarHBondContact O-OG 3.21Å; S61-R145 PolarHBondContact O-NH2 2.77Å
62	H	68.4	Low	68.7	Low	95 Å²	95	69.9 Å²	69.9	44%	0.44	35%	0.345	S	S	.	.	H	α-helix	trans	-103.4	-22.3	-177.1	-65.8	79.6	0	0	0	113.7	D58 I60 R145 C146	D58-H62 WeakPolarHBondContact O-CB 3.32Å; D58-H62 PolarHBondContact O-N 2.81Å; D58-H62 PolarHBondContact O-ND1 3.07Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 2.86Å; H62-R145 VanDerWaalsContact C-CZ 3.49Å; H62-R145 WeakPolarHBondContact O-CD 3.26Å; H62-R145 VanDerWaalsContact O-CG 3.27Å; H62-R145 WeakPolarHBondContact O-CG 3.34Å; H62-R145 PolarHBondContact O-NE 2.8Å; H62-R145 PolarHBondContact O-NH2 2.72Å; H62-C146 PolarHBondContact O-SG 3.09Å
63	C	75.6	Confident	70.9	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-118.7	-11.9	-172.9	-58.4	0	0	0	0	114.8	L59 R142 E143 C146	L59-C63 HydrophobicContact CD1-CB 4.4Å; L59-C63 WeakPolarHBondContact O-CB 3.47Å; L59-C63 PolarHBondContact O-N 3.47Å; C63-R142 CarbonylContact O-C 3.5Å; C63-R142 WeakPolarHBondContact O-CA 3.15Å; C63-E143 PolarHBondContact O-N 2.79Å; C63-C146 WeakPolarHBondContact CA-SG 3.42Å; C63-C146 HydrophobicContact CB-CB 3.33Å; C63-C146 WeakPolarHBondContact CB-SG 3.5Å; C63-C146 WeakPolarHBondContact SG-CB 3.2Å; C63-C146 CovalentContact SG-SG 2Å; C63-C146 PolarHBondContact SG-SG 3.18Å
64	F	85.7	Confident	72.8	Confident	9 Å²	9	65 Å²	65	4%	0.039	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.2	-170.3	-63.5	-83.5	0	0	0	113.7	L59 I60 L90 C93 T94 V107 Y140 E141 R142	L59-F64 HydrophobicContact CG-CE2 4.27Å; I60-F64 PolarHBondContact O-N 3.09Å; F64-L90 HydrophobicContact CD1-CD2 4.01Å; F64-L90 HydrophobicContact CD2-CB 4.47Å; F64-L90 HydrophobicContact CD2-CD2 4.02Å; F64-L90 HydrophobicContact CE1-CD2 3.95Å; F64-L90 HydrophobicContact CE2-CB 3.89Å; F64-L90 HydrophobicContact CE2-CD2 3.98Å; F64-L90 HydrophobicContact CE2-CG 4.44Å; F64-L90 HydrophobicContact CG-CD2 4.05Å; F64-L90 HydrophobicContact CZ-CB 4.17Å; F64-L90 HydrophobicContact CZ-CD2 3.94Å; F64-C93 HydrophobicContact CE1-CB 4.35Å; F64-C93 HydrophobicContact CZ-CB 4.14Å; F64-T94 HydrophobicContact CE2-CG2 3.94Å; F64-T94 HydrophobicContact CZ-CG2 3.82Å; F64-V107 HydrophobicContact CE1-CG2 4.31Å; F64-Y140 HydrophobicContact CB-CD1 3.86Å; F64-Y140 HydrophobicContact CG-CD1 4.37Å; F64-E141 CarbonylContact C-O 3.53Å; F64-E141 VanDerWaalsContact CA-O 3.23Å; F64-E141 WeakPolarHBondContact CA-O 3.32Å; F64-R142 HydrophobicContact CD1-CB 4.08Å; F64-R142 HydrophobicContact CE1-CB 3.78Å; F64-R142 HydrophobicContact CE1-CG 4.07Å; F64-R142 HydrophobicContact CZ-CG 4.47Å
65	L	82.5	Confident	75	Confident	97 Å²	97	55.4 Å²	55.4	51%	0.508	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118	160.4	-61.6	176	0	0	0	108.5	Y140 E141 E143	L65-Y140 CarbonylContact O-C 3.54Å; L65-Y140 VanDerWaalsContact O-CA 3.31Å; L65-Y140 WeakPolarHBondContact O-CA 3.44Å; L65-E141 HydrophobicContact CB-CB 4.35Å; L65-E141 PolarHBondContact N-O 3.24Å; L65-E141 PolarHBondContact O-N 2.84Å; L65-E143 HydrophobicContact CD1-CG 4.35Å; L65-E143 HydrophobicContact CD2-CG 4.3Å; L65-E143 HydrophobicContact CG-CG 3.76Å
66	R	86.9	Confident	76.8	Confident	104 Å²	104	53.5 Å²	53.5	39%	0.392	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.4	-176.4	-178.8	178.8	60.1	-163.8	-15.3	112.4	R68 Y140	R66-R68 HydrophobicContact CG-CG 4.17Å; R66-R68 VanDerWaalsContact CZ-NE 3.34Å; R66-Y140 HydrophobicContact CB-CD1 3.76Å; R66-Y140 HydrophobicContact CB-CE1 3.66Å; R66-Y140 WeakPolarHBondContact CD-OH 3.39Å; R66-Y140 HydrophobicContact CG-CD1 3.86Å; R66-Y140 HydrophobicContact CG-CE1 3.4Å
67	C	84.6	Confident	78.7	Confident	30 Å²	30	53.5 Å²	53.5	20%	0.203	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.5	164.1	-162.5	0	0	0	0	109.9	C70 Y139	C67-C70 HydrophobicContact CB-CB 3.58Å; C67-C70 WeakPolarHBondContact CB-SG 3.1Å; C67-C70 WeakPolarHBondContact SG-CB 3.26Å; C67-C70 CovalentContact SG-SG 2.03Å; C67-C70 PolarHBondContact SG-SG 3.18Å; C67-Y139 PolarHBondContact N-O 3.06Å; C67-Y139 PolarHBondContact O-N 3.07Å
68	R	87	Confident	80.6	Confident	156 Å²	156	54 Å²	54	59%	0.589	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.6	178.1	-69.2	-178.3	179.2	174.5	1.2	111.2	R66 C70 N138	R66-R68 HydrophobicContact CG-CG 4.17Å; R66-R68 VanDerWaalsContact CZ-NE 3.34Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-SG 3.27Å; R68-N138 WeakPolarHBondContact CA-OD1 3.06Å
69	N	88.1	Confident	82.3	Confident	48 Å²	48	51.6 Å²	51.6	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55	46.6	-175.6	-58.2	-54	0	0	0	111.4	R133 F134 V135 G136 Y137 N138	N69-R133 HydrophobicContact CB-CG 4.39Å; N69-R133 CarbonylContact O-C 3.09Å; N69-R133 WeakPolarHBondContact O-CA 3.45Å; N69-R133 VanDerWaalsContact O-CG 3.25Å; N69-R133 WeakPolarHBondContact O-CG 3.49Å; N69-F134 CarbonylContact C-O 3.49Å; N69-F134 WeakPolarHBondContact CA-O 3.19Å; N69-F134 PolarHBondContact O-N 3.05Å; N69-V135 WeakPolarHBondContact OD1-CA 3.26Å; N69-G136 PolarHBondContact OD1-N 2.87Å; N69-Y137 CarbonylContact C-O 3.5Å; N69-Y137 WeakPolarHBondContact CA-O 3.45Å; N69-Y137 PolarHBondContact N-O 3.07Å; N69-N138 PolarHBondContact N-OD1 3.22Å
70	C	84.9	Confident	83.7	Confident	10 Å²	10	57.2 Å²	57.2	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.5	-178.4	-50.1	0	0	0	0	110.6	C67 R68 L108 R131 I132 Y137	C67-C70 HydrophobicContact CB-CB 3.58Å; C67-C70 WeakPolarHBondContact CB-SG 3.1Å; C67-C70 WeakPolarHBondContact SG-CB 3.26Å; C67-C70 CovalentContact SG-SG 2.03Å; C67-C70 PolarHBondContact SG-SG 3.18Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-SG 3.27Å; C70-L108 WeakPolarHBondContact O-CD1 3.14Å; C70-R131 HydrophobicContact CB-CG 4.34Å; C70-I132 CarbonylContact C-O 3.5Å; C70-I132 VanDerWaalsContact CA-O 3.31Å; C70-I132 WeakPolarHBondContact CA-O 3.49Å; C70-Y137 PolarHBondContact N-O 3.14Å; C70-Y137 WeakPolarHBondContact O-CB 3.01Å
71	V	90.8	Very high	84.6	Confident	19 Å²	19	59 Å²	59	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.2	172.4	63.1	0	0	0	0	110.1	L108 R131 I132 F134 Y137	V71-L108 HydrophobicContact CB-CD1 4.02Å; V71-L108 HydrophobicContact CG2-CD1 3.91Å; V71-L108 HydrophobicContact CG2-CD2 3.57Å; V71-L108 HydrophobicContact CG2-CG 4.38Å; V71-R131 WeakPolarHBondContact O-CA 3.37Å; V71-I132 HydrophobicContact CG1-CD1 3.82Å; V71-I132 HydrophobicContact CG1-CG1 3.33Å; V71-I132 PolarHBondContact N-O 3.16Å; V71-I132 PolarHBondContact O-N 3.06Å; V71-F134 HydrophobicContact CB-CB 4.34Å; V71-F134 HydrophobicContact CG1-CB 3.64Å; V71-F134 HydrophobicContact CG1-CD2 4.44Å; V71-F134 HydrophobicContact CG1-CG 4.32Å; V71-Y137 HydrophobicContact CG2-CD1 4.49Å
72	V	86	Confident	85.6	Confident	7 Å²	7	59 Å²	59	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.4	167.9	-73	0	0	0	0	108.8	V75 Y119 L129 K130 Y139	V72-V75 HydrophobicContact CB-CG2 3.91Å; V72-V75 HydrophobicContact CG2-CG2 3.53Å; V72-Y119 HydrophobicContact CG2-CE1 4.46Å; V72-Y119 HydrophobicContact CG2-CE2 4.16Å; V72-L129 HydrophobicContact CG1-CD2 4.24Å; V72-K130 WeakPolarHBondContact CA-O 3.21Å; V72-Y139 HydrophobicContact CB-CE2 4.32Å; V72-Y139 HydrophobicContact CG1-CD1 4.38Å; V72-Y139 HydrophobicContact CG1-CD2 3.91Å; V72-Y139 HydrophobicContact CG1-CE1 4.03Å; V72-Y139 HydrophobicContact CG1-CE2 3.55Å; V72-Y139 HydrophobicContact CG1-CG 4.31Å; V72-Y139 HydrophobicContact CG2-CD2 4.01Å; V72-Y139 HydrophobicContact CG2-CE2 3.74Å
73	T	85.9	Confident	85.8	Confident	35 Å²	35	56.6 Å²	56.6	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	160.7	178	65.6	0	0	0	0	110.8	V75 K130 I132	T73-V75 VanDerWaalsContact C-N 3.28Å; T73-V75 PolarHBondContact O-N 3.46Å; T73-K130 PolarHBondContact N-O 3.03Å; T73-K130 PolarHBondContact OG1-O 3.03Å; T73-I132 HydrophobicContact CG2-CD1 3.62Å; T73-I132 HydrophobicContact CG2-CG1 3.96Å
74	N	83.9	Confident	85.7	Confident	105 Å²	105	57 Å²	57	56%	0.561	29%	0.292	S	S	*	.	S	Bend	trans	61.2	35.3	173.8	-48.9	-39.8	0	0	0	113.7	T126 A128	N74-T126 PolarHBondContact O-OG1 2.74Å; N74-T126 VanDerWaalsContact O-OG1 3.07Å; N74-A128 HydrophobicContact CB-CB 3.97Å; N74-A128 PolarHBondContact ND2-O 2.72Å
75	V	87.3	Confident	85.1	Confident	29 Å²	29	57.4 Å²	57.4	18%	0.176	30%	0.296	C	S	.	.			trans	-135.6	145.9	175.7	-66.6	0	0	0	0	109.4	V72 T73 Y119 G123 L124 T126 L129	V72-V75 HydrophobicContact CB-CG2 3.91Å; V72-V75 HydrophobicContact CG2-CG2 3.53Å; T73-V75 VanDerWaalsContact C-N 3.28Å; T73-V75 PolarHBondContact O-N 3.46Å; V75-Y119 HydrophobicContact CB-CD1 4.37Å; V75-Y119 HydrophobicContact CB-CE1 4.05Å; V75-Y119 HydrophobicContact CG2-CD1 4.15Å; V75-Y119 HydrophobicContact CG2-CE1 3.5Å; V75-Y119 VanDerWaalsContact CG2-CE1 3.5Å; V75-G123 WeakPolarHBondContact CB-O 3.41Å; V75-G123 WeakPolarHBondContact CG1-O 3.42Å; V75-L124 HydrophobicContact CG1-CD2 4.34Å; V75-T126 HydrophobicContact CG1-CG2 4.16Å; V75-L129 HydrophobicContact CG1-CB 4.34Å; V75-L129 HydrophobicContact CG1-CD1 3.66Å; V75-L129 HydrophobicContact CG1-CG 4.02Å
76	A	87.2	Confident	85.1	Confident	78 Å²	78	54.9 Å²	54.9	65%	0.645	28%	0.282	S	S	*	.			trans	-101.1	134.6	173.7	0	0	0	0	0	109.2
77	A	91.8	Very high	84.4	Confident	33 Å²	33	50.6 Å²	50.6	27%	0.273	27%	0.268	S	S	.	.			trans	-69.3	135.6	171.7	0	0	0	0	0	109.1	D79 D117 L118 Y119	A77-D79 PolarHBondContact O-N 3.33Å; A77-D117 HydrophobicContact CB-CB 3.65Å; A77-L118 CarbonylContact C-O 3.53Å; A77-L118 WeakPolarHBondContact CA-O 3.37Å; A77-Y119 HydrophobicContact CB-CE1 4.13Å
78	V	91.1	Very high	83.9	Confident	64 Å²	64	49.6 Å²	49.6	39%	0.388	26%	0.262	S	S	.	.	S	Bend	trans	-69.1	-27.2	171.5	64.5	0	0	0	0	110.8	Y98 L118 T120	V78-Y98 HydrophobicContact CG1-CD1 4.25Å; V78-Y98 HydrophobicContact CG1-CD2 4.15Å; V78-Y98 HydrophobicContact CG1-CE1 3.79Å; V78-Y98 HydrophobicContact CG1-CE2 3.63Å; V78-Y98 HydrophobicContact CG1-CG 4.43Å; V78-Y98 VanDerWaalsContact CG1-CZ 3.44Å; V78-Y98 HydrophobicContact CG2-CD1 3.92Å; V78-Y98 HydrophobicContact CG2-CE1 4.16Å; V78-Y98 HydrophobicContact CG2-CG 4.16Å; V78-L118 HydrophobicContact CG1-CB 4.39Å; V78-L118 VanDerWaalsContact CG1-O 3.29Å; V78-L118 WeakPolarHBondContact CG1-O 3.29Å; V78-L118 PolarHBondContact N-O 3.15Å; V78-T120 HydrophobicContact CB-CG2 4.32Å; V78-T120 HydrophobicContact CG1-CG2 3.85Å; V78-T120 HydrophobicContact CG2-CG2 4.4Å
79	D	90.6	Very high	83.8	Confident	32 Å²	32	42.1 Å²	42.1	17%	0.171	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	136.4	179	-170.9	-11.2	0	0	0	109.5	A77 Q81 R92 Y98 D117 L118	A77-D79 PolarHBondContact O-N 3.33Å; D79-Q81 PolarHBondContact OD1-NE2 3.27Å; D79-R92 VanDerWaalsContact CG-NH1 3.33Å; D79-R92 IonicContact OD1-NH1 2.62Å; D79-R92 IonicContact OD2-CZ 3.28Å; D79-R92 IonicContact OD2-NH1 3.23Å; D79-R92 PolarHBondContact OD2-NH1 3.04Å; D79-R92 IonicContact OD2-NH2 3.62Å; D79-R92 PolarHBondContact OD2-NH2 2.89Å; D79-Y98 HydrophobicContact CB-CE1 3.99Å; D79-D117 WeakPolarHBondContact O-CA 3.4Å; D79-L118 HydrophobicContact CB-CB 4.36Å; D79-L118 HydrophobicContact CB-CD1 4.44Å; D79-L118 PolarHBondContact O-N 2.85Å
80	R	91.5	Very high	83.7	Confident	151 Å²	151	39.9 Å²	39.9	57%	0.57	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.4	175.2	172	169.3	-76.1	177.8	-1.2	109.6	L82 V115 C116 D117	R80-L82 HydrophobicContact CG-CD2 4.17Å; R80-V115 HydrophobicContact CG-CG1 4.03Å; R80-C116 CarbonylContact C-O 3.59Å; R80-C116 VanDerWaalsContact CA-O 3.31Å; R80-C116 WeakPolarHBondContact CA-O 3.22Å; R80-D117 WeakPolarHBondContact CB-OD1 3.27Å; R80-D117 WeakPolarHBondContact CG-OD1 3.46Å; R80-D117 IonicContact CZ-OD1 2.64Å; R80-D117 IonicContact CZ-OD2 3.77Å; R80-D117 IonicContact NE-OD1 2.73Å; R80-D117 PolarHBondContact NE-OD1 3.44Å; R80-D117 IonicContact NE-OD2 3.12Å; R80-D117 VanDerWaalsContact NH2-CG 3.35Å; R80-D117 IonicContact NH2-OD1 3.7Å; R80-D117 PolarHBondContact NH2-OD1 3.38Å; R80-D117 IonicContact NH2-OD2 2.65Å; R80-D117 PolarHBondContact NH2-OD2 2.69Å
81	Q	85.2	Confident	83.5	Confident	63 Å²	63	42 Å²	42	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.9	173.5	-59.2	-65.2	-54.5	0	0	110.2	D79 I84 V115 C116	D79-Q81 PolarHBondContact OD1-NE2 3.27Å; Q81-I84 HydrophobicContact CB-CG2 4.02Å; Q81-V115 WeakPolarHBondContact O-CA 3.45Å; Q81-C116 HydrophobicContact CB-CB 4.12Å; Q81-C116 PolarHBondContact N-O 2.8Å; Q81-C116 PolarHBondContact O-N 2.51Å
82	L	81.6	Confident	83.1	Confident	65 Å²	65	44 Å²	44	34%	0.34	24%	0.236	S	C	.	.	S	Bend	trans	-102.1	151.2	177.7	-55.3	178	0	0	0	109.7	L33 R80 I84 S114 V115	L33-L82 HydrophobicContact CD1-CD1 3.87Å; R80-L82 HydrophobicContact CG-CD2 4.17Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 3.4Å; L82-S114 CarbonylContact C-O 3.38Å; L82-V115 HydrophobicContact CD2-CB 4.39Å; L82-V115 HydrophobicContact CD2-CG1 3.99Å; L82-V115 HydrophobicContact CD2-CG2 3.75Å
83	F	73.9	Confident	83.2	Confident	43 Å²	43	43.7 Å²	43.7	19%	0.189	23%	0.234	C	C	.	.	S	Bend	trans	57.6	36.5	172.5	-39.3	-52.3	0	0	0	113.9	L33 L42 V46 V48 N49 S114	L33-F83 HydrophobicContact CD2-CE1 4.08Å; L33-F83 HydrophobicContact CD2-CZ 4.07Å; L42-F83 HydrophobicContact CD2-CD1 4.01Å; L42-F83 HydrophobicContact CD2-CE1 4.02Å; V46-F83 HydrophobicContact CB-CE1 4.35Å; V46-F83 HydrophobicContact CG1-CB 4.29Å; V46-F83 HydrophobicContact CG1-CD1 3.11Å; V46-F83 HydrophobicContact CG1-CD2 3.88Å; V46-F83 HydrophobicContact CG1-CE1 3.19Å; V46-F83 HydrophobicContact CG1-CE2 3.92Å; V46-F83 HydrophobicContact CG1-CG 3.47Å; V46-F83 VanDerWaalsContact CG1-CG 3.47Å; V46-F83 HydrophobicContact CG1-CZ 3.58Å; V46-F83 HydrophobicContact CG2-CE1 4.34Å; V46-F83 HydrophobicContact CG2-CE2 4.49Å; V46-F83 HydrophobicContact CG2-CZ 4.06Å; V48-F83 CarbonylContact C-O 3.53Å; V48-F83 WeakPolarHBondContact CA-O 3.46Å; N49-F83 PolarHBondContact N-O 3.14Å; F83-S114 WeakPolarHBondContact CA-O 3.41Å; F83-S114 PolarHBondContact N-O 3.29Å
84	I	73.8	Confident	83	Confident	18 Å²	18	43.8 Å²	43.8	9%	0.092	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-108.6	145.5	177.8	-170.8	167.9	0	0	0	110.3	Q81 L82 A88 C89 Y109 S114 C116	Q81-I84 HydrophobicContact CB-CG2 4.02Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 3.4Å; I84-A88 HydrophobicContact CD1-CB 3.79Å; I84-A88 HydrophobicContact CG1-CB 3.53Å; I84-C89 HydrophobicContact CG2-CB 4.22Å; I84-Y109 VanDerWaalsContact O-CE2 3.29Å; I84-Y109 WeakPolarHBondContact O-CE2 3.38Å; I84-Y109 PolarHBondContact O-OH 3.39Å; I84-S114 PolarHBondContact N-O 3.37Å; I84-S114 WeakPolarHBondContact O-CB 3.41Å; I84-S114 PolarHBondContact O-OG 3.07Å; I84-C116 HydrophobicContact CG2-CB 3.33Å
85	S	73.1	Confident	82.6	Confident	18 Å²	18	44.7 Å²	44.7	13%	0.126	24%	0.236	C	C	.	.			trans	-67.3	153.1	172.9	73.1	0	0	0	0	111.5	N49 A87 A88 C89	N49-S85 PolarHBondContact O-N 2.92Å; N49-S85 VanDerWaalsContact O-N 3.08Å; S85-A87 PolarHBondContact O-N 2.5Å; S85-A88 PolarHBondContact O-N 2.94Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 VanDerWaalsContact OG-CB 3.32Å; S85-A88 WeakPolarHBondContact OG-CB 3.48Å; S85-A88 PolarHBondContact OG-N 3.13Å; S85-A88 VanDerWaalsContact OG-N 3.15Å; S85-C89 WeakPolarHBondContact O-CB 3.38Å; S85-C89 PolarHBondContact O-N 3.32Å
86	E	81.1	Confident	81.8	Confident	45 Å²	45	44.9 Å²	44.9	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-52.9	-42.7	175.1	-171	162.9	-140.6	0	0	111.8	C89 L90 Y109 N138 Y140	E86-C89 WeakPolarHBondContact O-CB 3.28Å; E86-C89 PolarHBondContact O-N 3.04Å; E86-L90 HydrophobicContact CG-CD1 4.4Å; E86-L90 WeakPolarHBondContact O-CG 3.18Å; E86-L90 PolarHBondContact O-N 3.44Å; E86-Y109 HydrophobicContact CB-CD1 3.66Å; E86-Y109 HydrophobicContact CB-CD2 4.37Å; E86-Y109 HydrophobicContact CB-CE1 3.43Å; E86-Y109 VanDerWaalsContact CB-CE1 3.43Å; E86-Y109 HydrophobicContact CB-CE2 4.18Å; E86-Y109 HydrophobicContact CB-CG 4.12Å; E86-Y109 HydrophobicContact CG-CD1 3.56Å; E86-Y109 HydrophobicContact CG-CE1 3.89Å; E86-Y109 HydrophobicContact CG-CG 3.94Å; E86-Y109 VanDerWaalsContact N-CZ 3.28Å; E86-Y109 PolarHBondContact N-OH 3.2Å; E86-N138 PolarHBondContact OE1-ND2 2.78Å; E86-Y140 HydrophobicContact CG-CE2 4.3Å; E86-Y140 WeakPolarHBondContact OE1-CE2 3.49Å; E86-Y140 PolarHBondContact OE1-OH 2.89Å
87	A	72.7	Confident	80.8	Confident	13 Å²	13	48.1 Å²	48.1	11%	0.107	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-48.2	177.9	0	0	0	0	0	112.6	I53 V56 S85 C89 L90 Q91	I53-A87 HydrophobicContact CD1-CB 3.71Å; I53-A87 VanDerWaalsContact CD1-O 3.32Å; I53-A87 WeakPolarHBondContact CD1-O 3.32Å; V56-A87 HydrophobicContact CB-CB 4.12Å; V56-A87 HydrophobicContact CG1-CB 3.5Å; V56-A87 VanDerWaalsContact CG1-CB 3.5Å; V56-A87 HydrophobicContact CG2-CB 3.42Å; V56-A87 VanDerWaalsContact CG2-CB 3.42Å; S85-A87 PolarHBondContact O-N 2.5Å; A87-C89 VanDerWaalsContact C-N 3.3Å; A87-C89 PolarHBondContact O-N 2.97Å; A87-L90 PolarHBondContact O-N 2.01Å; A87-Q91 PolarHBondContact O-N 3.25Å
88	A	73.7	Confident	79.8	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-33	-179.7	0	0	0	0	0	111.6	V51 I53 I84 S85 R92	V51-A88 HydrophobicContact CB-CB 4.11Å; V51-A88 HydrophobicContact CG2-CB 3.95Å; I53-A88 HydrophobicContact CD1-CB 4.13Å; I84-A88 HydrophobicContact CD1-CB 3.79Å; I84-A88 HydrophobicContact CG1-CB 3.53Å; S85-A88 PolarHBondContact O-N 2.94Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 VanDerWaalsContact OG-CB 3.32Å; S85-A88 WeakPolarHBondContact OG-CB 3.48Å; S85-A88 PolarHBondContact OG-N 3.13Å; S85-A88 VanDerWaalsContact OG-N 3.15Å; A88-R92 VanDerWaalsContact O-CB 3.27Å; A88-R92 WeakPolarHBondContact O-CB 3.48Å; A88-R92 PolarHBondContact O-N 3.42Å
89	C	85.3	Confident	78.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-48.9	171.3	179.2	0	0	0	0	111.9	I84 S85 E86 A87 R92 C93 V107 Y109 C116	I84-C89 HydrophobicContact CG2-CB 4.22Å; S85-C89 WeakPolarHBondContact O-CB 3.38Å; S85-C89 PolarHBondContact O-N 3.32Å; E86-C89 WeakPolarHBondContact O-CB 3.28Å; E86-C89 PolarHBondContact O-N 3.04Å; A87-C89 VanDerWaalsContact C-N 3.3Å; A87-C89 PolarHBondContact O-N 2.97Å; C89-R92 WeakPolarHBondContact O-CB 3.44Å; C89-R92 PolarHBondContact O-N 3.39Å; C89-C93 PolarHBondContact O-N 2.77Å; C89-C93 VanDerWaalsContact O-N 3.09Å; C89-V107 WeakPolarHBondContact SG-CG1 3.44Å; C89-Y109 HydrophobicContact CB-CD2 4.07Å; C89-C116 WeakPolarHBondContact CA-SG 3.42Å; C89-C116 HydrophobicContact CB-CB 3.6Å; C89-C116 WeakPolarHBondContact CB-SG 3.34Å; C89-C116 WeakPolarHBondContact SG-CB 3Å; C89-C116 CovalentContact SG-SG 2Å; C89-C116 PolarHBondContact SG-SG 3.37Å
90	L	86.8	Confident	77.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-42.5	178.4	-66.9	169.1	0	0	0	112.6	L59 I60 F64 E86 A87 R92 C93 T94 V107 Y140	L59-L90 HydrophobicContact CD2-CB 4.15Å; I60-L90 HydrophobicContact CD1-CD1 3.9Å; I60-L90 HydrophobicContact CG1-CD1 3.42Å; I60-L90 VanDerWaalsContact CG1-CD1 3.42Å; F64-L90 HydrophobicContact CD1-CD2 4.01Å; F64-L90 HydrophobicContact CD2-CB 4.47Å; F64-L90 HydrophobicContact CD2-CD2 4.02Å; F64-L90 HydrophobicContact CE1-CD2 3.95Å; F64-L90 HydrophobicContact CE2-CB 3.89Å; F64-L90 HydrophobicContact CE2-CD2 3.98Å; F64-L90 HydrophobicContact CE2-CG 4.44Å; F64-L90 HydrophobicContact CG-CD2 4.05Å; F64-L90 HydrophobicContact CZ-CB 4.17Å; F64-L90 HydrophobicContact CZ-CD2 3.94Å; E86-L90 HydrophobicContact CG-CD1 4.4Å; E86-L90 WeakPolarHBondContact O-CG 3.18Å; E86-L90 PolarHBondContact O-N 3.44Å; A87-L90 PolarHBondContact O-N 2.01Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.82Å; L90-C93 VanDerWaalsContact O-CB 3.31Å; L90-C93 WeakPolarHBondContact O-CB 3.39Å; L90-C93 PolarHBondContact O-N 3.04Å; L90-C93 VanDerWaalsContact O-N 3.15Å; L90-T94 PolarHBondContact O-N 2.64Å; L90-T94 VanDerWaalsContact O-N 3.14Å; L90-V107 HydrophobicContact CD2-CB 4.12Å; L90-V107 HydrophobicContact CD2-CG1 4.26Å; L90-V107 HydrophobicContact CD2-CG2 4.06Å; L90-Y140 HydrophobicContact CD1-CD1 4.26Å; L90-Y140 HydrophobicContact CD1-CE1 3.95Å; L90-Y140 HydrophobicContact CD1-CE2 4.49Å; L90-Y140 HydrophobicContact CD2-CD1 3.77Å; L90-Y140 HydrophobicContact CD2-CD2 3.74Å; L90-Y140 HydrophobicContact CD2-CE1 4.23Å; L90-Y140 HydrophobicContact CD2-CE2 4.23Å; L90-Y140 HydrophobicContact CD2-CG 3.51Å
91	Q	79.5	Confident	76.3	Confident	54 Å²	54	50.4 Å²	50.4	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-38.6	173.8	-179.3	-179.6	-1.4	0	0	111.5	I53 L59 A87 C93 T94 Q95	I53-Q91 HydrophobicContact CD1-CB 3.93Å; L59-Q91 HydrophobicContact CD2-CB 4.22Å; A87-Q91 PolarHBondContact O-N 3.25Å; Q91-C93 VanDerWaalsContact C-N 3.29Å; Q91-C93 PolarHBondContact O-N 3.03Å; Q91-T94 PolarHBondContact O-N 3.34Å; Q91-T94 PolarHBondContact O-OG1 2.97Å; Q91-Q95 HydrophobicContact CG-CG 4.37Å; Q91-Q95 WeakPolarHBondContact O-CG 3.15Å; Q91-Q95 PolarHBondContact O-N 2.73Å; Q91-Q95 VanDerWaalsContact O-N 3.07Å
92	R	83.3	Confident	75.8	Confident	62 Å²	62	50.5 Å²	50.5	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-36.4	177.4	-166.5	157.2	-179.4	-83.3	-0.4	111.7	D79 A88 C89 L90 T94 Q95 N96 L118	D79-R92 VanDerWaalsContact CG-NH1 3.33Å; D79-R92 IonicContact OD1-NH1 2.62Å; D79-R92 IonicContact OD2-CZ 3.28Å; D79-R92 IonicContact OD2-NH1 3.23Å; D79-R92 PolarHBondContact OD2-NH1 3.04Å; D79-R92 IonicContact OD2-NH2 3.62Å; D79-R92 PolarHBondContact OD2-NH2 2.89Å; A88-R92 VanDerWaalsContact O-CB 3.27Å; A88-R92 WeakPolarHBondContact O-CB 3.48Å; A88-R92 PolarHBondContact O-N 3.42Å; C89-R92 WeakPolarHBondContact O-CB 3.44Å; C89-R92 PolarHBondContact O-N 3.39Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.82Å; R92-T94 VanDerWaalsContact C-N 3.29Å; R92-T94 PolarHBondContact O-N 3.44Å; R92-Q95 PolarHBondContact O-N 3.14Å; R92-N96 WeakPolarHBondContact CG-ND2 2.9Å; R92-N96 WeakPolarHBondContact CG-OD1 3.05Å; R92-N96 PolarHBondContact NH1-ND2 2.79Å; R92-N96 WeakPolarHBondContact O-CB 3.43Å; R92-N96 PolarHBondContact O-N 3.41Å; R92-N96 PolarHBondContact O-OD1 2.89Å; R92-L118 HydrophobicContact CG-CD1 4.13Å
93	C	88.6	Confident	75.8	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-37.5	170.6	-171	0	0	0	0	112.6	F64 C89 L90 Q91 C104 V107 L118 R142	F64-C93 HydrophobicContact CE1-CB 4.35Å; F64-C93 HydrophobicContact CZ-CB 4.14Å; C89-C93 PolarHBondContact O-N 2.77Å; C89-C93 VanDerWaalsContact O-N 3.09Å; L90-C93 VanDerWaalsContact O-CB 3.31Å; L90-C93 WeakPolarHBondContact O-CB 3.39Å; L90-C93 PolarHBondContact O-N 3.04Å; L90-C93 VanDerWaalsContact O-N 3.15Å; Q91-C93 VanDerWaalsContact C-N 3.29Å; Q91-C93 PolarHBondContact O-N 3.03Å; C93-C104 WeakPolarHBondContact CA-SG 3.23Å; C93-C104 HydrophobicContact CB-CB 3.83Å; C93-C104 WeakPolarHBondContact CB-SG 3.37Å; C93-C104 WeakPolarHBondContact O-CB 3.33Å; C93-C104 WeakPolarHBondContact SG-CB 3.34Å; C93-C104 CovalentContact SG-SG 2.03Å; C93-C104 PolarHBondContact SG-SG 2.72Å; C93-V107 HydrophobicContact CB-CG2 3.41Å; C93-V107 VanDerWaalsContact CB-CG2 3.41Å; C93-V107 WeakPolarHBondContact SG-CG2 3.35Å; C93-L118 HydrophobicContact CB-CD2 4.01Å; C93-R142 PolarHBondContact O-NH1 2.92Å
94	T	80.6	Confident	76.6	Confident	36 Å²	36	48 Å²	48	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-71.6	-32.4	179.1	63.8	0	0	0	0	113.2	L59 F64 L90 Q91 R92 R142	L59-T94 HydrophobicContact CD1-CG2 4.06Å; F64-T94 HydrophobicContact CE2-CG2 3.94Å; F64-T94 HydrophobicContact CZ-CG2 3.82Å; L90-T94 PolarHBondContact O-N 2.64Å; L90-T94 VanDerWaalsContact O-N 3.14Å; Q91-T94 PolarHBondContact O-N 3.34Å; Q91-T94 PolarHBondContact O-OG1 2.97Å; R92-T94 VanDerWaalsContact C-N 3.29Å; R92-T94 PolarHBondContact O-N 3.44Å; T94-R142 PolarHBondContact O-NH2 3.29Å; T94-R142 VanDerWaalsContact O-NH2 3.17Å
95	Q	76.1	Confident	77.3	Confident	125 Å²	125	49.2 Å²	49.2	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-90.4	-30.8	-175.7	-66	178.3	-19	0	0	114.5	Q91 R92 K97	Q91-Q95 HydrophobicContact CG-CG 4.37Å; Q91-Q95 WeakPolarHBondContact O-CG 3.15Å; Q91-Q95 PolarHBondContact O-N 2.73Å; Q91-Q95 VanDerWaalsContact O-N 3.07Å; R92-Q95 PolarHBondContact O-N 3.14Å; Q95-K97 PolarHBondContact O-N 2.65Å
96	N	69.9	Low	78.2	Confident	32 Å²	32	48.3 Å²	48.3	17%	0.171	25%	0.25	C	C	.	.			trans	-69.2	130	-171.7	-82.5	1.9	0	0	0	112.5	R92 Y98 L118	R92-N96 WeakPolarHBondContact CG-ND2 2.9Å; R92-N96 WeakPolarHBondContact CG-OD1 3.05Å; R92-N96 PolarHBondContact NH1-ND2 2.79Å; R92-N96 WeakPolarHBondContact O-CB 3.43Å; R92-N96 PolarHBondContact O-N 3.41Å; R92-N96 PolarHBondContact O-OD1 2.89Å; N96-Y98 HydrophobicContact CB-CE1 4.46Å; N96-Y98 HydrophobicContact CB-CE2 4.22Å; N96-Y98 PolarHBondContact ND2-OH 2.89Å; N96-L118 WeakPolarHBondContact ND2-CD1 3.25Å
97	K	66.2	Low	78.8	Confident	147 Å²	147	46.2 Å²	46.2	64%	0.639	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-111.4	126.5	162.4	-62.3	179.8	-176.6	178.2	0	107.2	Q95	Q95-K97 PolarHBondContact O-N 2.65Å
98	Y	71.1	Confident	79.9	Confident	38 Å²	38	45.9 Å²	45.9	15%	0.149	24%	0.236	C	C	.	.			trans	-94.8	179	173.6	-57.9	-74	0	0	0	109.7	V78 D79 N96 Q102 C104 L118 T120	V78-Y98 HydrophobicContact CG1-CD1 4.25Å; V78-Y98 HydrophobicContact CG1-CD2 4.15Å; V78-Y98 HydrophobicContact CG1-CE1 3.79Å; V78-Y98 HydrophobicContact CG1-CE2 3.63Å; V78-Y98 HydrophobicContact CG1-CG 4.43Å; V78-Y98 VanDerWaalsContact CG1-CZ 3.44Å; V78-Y98 HydrophobicContact CG2-CD1 3.92Å; V78-Y98 HydrophobicContact CG2-CE1 4.16Å; V78-Y98 HydrophobicContact CG2-CG 4.16Å; D79-Y98 HydrophobicContact CB-CE1 3.99Å; N96-Y98 HydrophobicContact CB-CE1 4.46Å; N96-Y98 HydrophobicContact CB-CE2 4.22Å; N96-Y98 PolarHBondContact ND2-OH 2.89Å; Y98-Q102 PolarHBondContact N-O 2.7Å; Y98-C104 HydrophobicContact CE2-CB 3.96Å; Y98-L118 WeakPolarHBondContact OH-CB 3.38Å; Y98-L118 WeakPolarHBondContact OH-CD1 3.29Å; Y98-T120 HydrophobicContact CD2-CG2 3.37Å; Y98-T120 HydrophobicContact CE2-CG2 3.77Å; Y98-T120 HydrophobicContact CG-CG2 4.16Å
99	A	64.1	Low	80.9	Confident	65 Å²	65	46 Å²	46	54%	0.537	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-55.7	157.3	174.3	0	0	0	0	0	111.3	G101 Q102	A99-G101 PolarHBondContact O-N 3.43Å; A99-G101 VanDerWaalsContact O-N 3.09Å; A99-Q102 WeakPolarHBondContact O-CB 3.42Å; A99-Q102 PolarHBondContact O-N 3.11Å
100	H	66.8	Low	81.2	Confident	182 Å²	182	47.3 Å²	47.3	84%	0.843	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	58.1	24.2	177.3	-52.6	-73.1	0	0	0	115.3	Q102	H100-Q102 PolarHBondContact O-N 2.86Å
101	G	68.7	Low	81	Confident	43 Å²	43	56.1 Å²	56.1	44%	0.443	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	73.7	5.2	178.7	0	0	0	0	0	114	A99	A99-G101 PolarHBondContact O-N 3.43Å; A99-G101 VanDerWaalsContact O-N 3.09Å
102	Q	74.4	Confident	80.9	Confident	64 Å²	64	58.2 Å²	58.2	30%	0.299	28%	0.281	S	S	.	.			trans	-62.6	145.6	175.7	-66.2	-178.7	-36.7	0	0	110.5	Y98 A99 H100 T120 D122	Y98-Q102 PolarHBondContact N-O 2.7Å; A99-Q102 WeakPolarHBondContact O-CB 3.42Å; A99-Q102 PolarHBondContact O-N 3.11Å; H100-Q102 PolarHBondContact O-N 2.86Å; Q102-T120 HydrophobicContact CB-CG2 3.9Å; Q102-D122 PolarHBondContact NE2-OD1 2.53Å; Q102-D122 PolarHBondContact NE2-OD2 2.64Å
103	R	82.9	Confident	80.5	Confident	56 Å²	56	55.6 Å²	55.6	21%	0.211	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-128.2	155.2	-179.8	-65.2	-176.2	-176.8	154.6	3.3	109.9	V105 T120 E186	R103-V105 PolarHBondContact O-N 3.41Å; R103-T120 WeakPolarHBondContact O-CG2 3.34Å; R103-E186 IonicContact CZ-OE2 3.91Å; R103-E186 IonicContact NH1-OE2 2.93Å; R103-E186 PolarHBondContact NH1-OE2 3.31Å
104	C	89.1	Confident	80.1	Confident	1 Å²	1	56 Å²	56	1%	0.007	27%	0.274	C	S	.	.			trans	-65.4	125.2	170.3	178.6	0	0	0	0	109.8	C93 Y98 A106 Y119 R142	C93-C104 WeakPolarHBondContact CA-SG 3.23Å; C93-C104 HydrophobicContact CB-CB 3.83Å; C93-C104 WeakPolarHBondContact CB-SG 3.37Å; C93-C104 WeakPolarHBondContact O-CB 3.33Å; C93-C104 WeakPolarHBondContact SG-CB 3.34Å; C93-C104 CovalentContact SG-SG 2.03Å; C93-C104 PolarHBondContact SG-SG 2.72Å; Y98-C104 HydrophobicContact CE2-CB 3.96Å; C104-A106 PolarHBondContact SG-O 3.04Å; C104-Y119 CarbonylContact C-O 3.58Å; C104-Y119 WeakPolarHBondContact CA-O 3Å; C104-R142 VanDerWaalsContact O-CD 3.26Å; C104-R142 WeakPolarHBondContact O-CD 3.05Å; C104-R142 PolarHBondContact O-NH1 3.38Å
105	V	89.3	Confident	80.5	Confident	42 Å²	42	55 Å²	55	26%	0.255	27%	0.268	S	S	.	.			trans	-115.3	-17.4	177.5	-60.4	0	0	0	0	112.5	R103 Y119 S121 L124 R142	R103-V105 PolarHBondContact O-N 3.41Å; V105-Y119 PolarHBondContact N-O 2.9Å; V105-S121 WeakPolarHBondContact CG1-OG 3.13Å; V105-L124 HydrophobicContact CG2-CD1 3.73Å; V105-R142 WeakPolarHBondContact O-CB 3.49Å; V105-R142 PolarHBondContact O-N 2.97Å
106	A	92.4	Very high	81.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.8	173	0	0	0	0	0	112.6	C104 Y119 L124 Y139 Y140	C104-A106 PolarHBondContact SG-O 3.04Å; A106-Y119 HydrophobicContact CB-CD2 4.41Å; A106-Y119 PolarHBondContact N-O 2.85Å; A106-Y119 PolarHBondContact O-N 3.46Å; A106-L124 HydrophobicContact CB-CD1 3.67Å; A106-Y139 HydrophobicContact CB-CE2 3.72Å; A106-Y139 VanDerWaalsContact CB-OH 3.3Å; A106-Y139 WeakPolarHBondContact CB-OH 3.16Å; A106-Y140 CarbonylContact C-O 3.57Å; A106-Y140 WeakPolarHBondContact CA-O 3.2Å; A106-Y140 WeakPolarHBondContact CB-O 3.26Å
107	V	94.1	Very high	82.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.3	179.6	-179.7	0	0	0	0	109.3	F64 C89 L90 C93 D117 L118 Y139 Y140	F64-V107 HydrophobicContact CE1-CG2 4.31Å; C89-V107 WeakPolarHBondContact SG-CG1 3.44Å; L90-V107 HydrophobicContact CD2-CB 4.12Å; L90-V107 HydrophobicContact CD2-CG1 4.26Å; L90-V107 HydrophobicContact CD2-CG2 4.06Å; C93-V107 HydrophobicContact CB-CG2 3.41Å; C93-V107 VanDerWaalsContact CB-CG2 3.41Å; C93-V107 WeakPolarHBondContact SG-CG2 3.35Å; V107-D117 CarbonylContact C-O 3.47Å; V107-D117 VanDerWaalsContact CA-O 3.3Å; V107-D117 WeakPolarHBondContact CA-O 3.38Å; V107-L118 HydrophobicContact CB-CD2 4.37Å; V107-L118 HydrophobicContact CG1-CD2 4.16Å; V107-L118 HydrophobicContact CG2-CD2 3.68Å; V107-Y139 CarbonylContact O-C 3.25Å; V107-Y139 WeakPolarHBondContact O-CA 3.27Å; V107-Y139 WeakPolarHBondContact O-CD2 3.21Å; V107-Y140 HydrophobicContact CB-CD2 4.46Å; V107-Y140 PolarHBondContact N-O 3.47Å; V107-Y140 PolarHBondContact O-N 2.86Å
108	L	95.4	Very high	83.7	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.5	162.7	176.5	74.3	0	0	0	108.6	C70 V71 D117 Y119 Y137 Y139	C70-L108 WeakPolarHBondContact O-CD1 3.14Å; V71-L108 HydrophobicContact CB-CD1 4.02Å; V71-L108 HydrophobicContact CG2-CD1 3.91Å; V71-L108 HydrophobicContact CG2-CD2 3.57Å; V71-L108 HydrophobicContact CG2-CG 4.38Å; L108-D117 HydrophobicContact CB-CB 4.11Å; L108-D117 PolarHBondContact N-O 2.79Å; L108-D117 PolarHBondContact O-N 3.19Å; L108-Y119 HydrophobicContact CB-CE2 3.64Å; L108-Y137 HydrophobicContact CD1-CD1 3.98Å; L108-Y137 HydrophobicContact CD2-CD1 4.17Å; L108-Y137 HydrophobicContact CG-CD1 4.09Å; L108-Y139 HydrophobicContact CB-CD2 4.38Å; L108-Y139 HydrophobicContact CD1-CD2 4.48Å
109	Y	93.6	Very high	84.8	Confident	12 Å²	12	39.4 Å²	39.4	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.3	179.3	-176.9	-104.3	0	0	0	111.1	I84 E86 C89 R111 S114 V115 C116 Y137 N138	I84-Y109 VanDerWaalsContact O-CE2 3.29Å; I84-Y109 WeakPolarHBondContact O-CE2 3.38Å; I84-Y109 PolarHBondContact O-OH 3.39Å; E86-Y109 HydrophobicContact CB-CD1 3.66Å; E86-Y109 HydrophobicContact CB-CD2 4.37Å; E86-Y109 HydrophobicContact CB-CE1 3.43Å; E86-Y109 VanDerWaalsContact CB-CE1 3.43Å; E86-Y109 HydrophobicContact CB-CE2 4.18Å; E86-Y109 HydrophobicContact CB-CG 4.12Å; E86-Y109 HydrophobicContact CG-CD1 3.56Å; E86-Y109 HydrophobicContact CG-CE1 3.89Å; E86-Y109 HydrophobicContact CG-CG 3.94Å; E86-Y109 VanDerWaalsContact N-CZ 3.28Å; E86-Y109 PolarHBondContact N-OH 3.2Å; C89-Y109 HydrophobicContact CB-CD2 4.07Å; Y109-R111 HydrophobicContact CE1-CB 4.2Å; Y109-S114 PolarHBondContact OH-OG 3.41Å; Y109-V115 CarbonylContact C-O 3.55Å; Y109-V115 WeakPolarHBondContact CA-O 3.25Å; Y109-V115 WeakPolarHBondContact CD2-O 3.36Å; Y109-C116 HydrophobicContact CD2-CB 4.41Å; Y109-Y137 CarbonylContact O-C 3.42Å; Y109-Y137 WeakPolarHBondContact O-CA 3.37Å; Y109-N138 PolarHBondContact N-O 3.38Å; Y109-N138 PolarHBondContact O-N 3Å
110	M	91.6	Very high	86	Confident	26 Å²	26	36.5 Å²	36.5	13%	0.128	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	106.4	172.7	-170.3	-177.3	-174.8	0	0	109.6	L37 Y112 Y113 S114 V115 Y137	L37-M110 HydrophobicContact CD2-CE 4.11Å; M110-Y112 VanDerWaalsContact C-N 3.26Å; M110-Y112 PolarHBondContact O-N 3.26Å; M110-Y113 HydrophobicContact CE-CD2 3.3Å; M110-Y113 HydrophobicContact CE-CE2 3.44Å; M110-Y113 VanDerWaalsContact CE-CE2 3.44Å; M110-Y113 HydrophobicContact SD-CD2 3.6Å; M110-Y113 HydrophobicContact SD-CE2 4.35Å; M110-S114 WeakPolarHBondContact O-CA 3.44Å; M110-S114 PolarHBondContact O-N 3.17Å; M110-V115 HydrophobicContact CB-CB 4.04Å; M110-V115 PolarHBondContact N-O 3.19Å; M110-V115 PolarHBondContact O-N 3.39Å; M110-Y137 HydrophobicContact CB-CD1 3.92Å; M110-Y137 HydrophobicContact CB-CE1 3.77Å; M110-Y137 HydrophobicContact CE-CE2 3.92Å; M110-Y137 WeakPolarHBondContact CE-OH 3.26Å; M110-Y137 HydrophobicContact CG-CD1 4.06Å; M110-Y137 HydrophobicContact CG-CD2 4.42Å; M110-Y137 HydrophobicContact CG-CE1 3.67Å; M110-Y137 HydrophobicContact CG-CE2 4.06Å; M110-Y137 HydrophobicContact CG-CG 4.44Å; M110-Y137 HydrophobicContact SD-CE1 3.86Å; M110-Y137 HydrophobicContact SD-CE2 4.29Å; M110-Y137 VanDerWaalsContact SD-CZ 3.59Å; M110-Y137 PolarHBondContact SD-OH 3.08Å; M110-Y137 VanDerWaalsContact SD-OH 3.35Å
111	R	83.5	Confident	86.9	Confident	186 Å²	186	31.2 Å²	31.2	70%	0.702	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.5	-174.1	-177.9	179.4	176.8	-177.3	0	112.9	Y109 G136	Y109-R111 HydrophobicContact CE1-CB 4.2Å; R111-G136 PolarHBondContact N-O 3.42Å
112	Y	76.7	Confident	87.6	Confident	99 Å²	99	33.2 Å²	33.2	39%	0.388	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-49.2	-171.3	-165.5	-72.5	0	0	0	111.8	G40 Q41 M110	G40-Y112 VanDerWaalsContact C-CE2 3.46Å; G40-Y112 VanDerWaalsContact CA-CZ 3.49Å; G40-Y112 WeakPolarHBondContact O-CE2 3.42Å; G40-Y112 PolarHBondContact O-OH 3.35Å; Q41-Y112 WeakPolarHBondContact CA-OH 3.07Å; Q41-Y112 VanDerWaalsContact N-CZ 3.32Å; Q41-Y112 PolarHBondContact N-OH 2.94Å; M110-Y112 VanDerWaalsContact C-N 3.26Å; M110-Y112 PolarHBondContact O-N 3.26Å
113	Y	75.3	Confident	87.9	Confident	6 Å²	6	31 Å²	31	2%	0.024	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	6.4	-177.6	-58	-72.8	0	0	0	113.4	G36 L37 G40 L42 M110 V115	G36-Y113 PolarHBondContact O-OH 3.46Å; L37-Y113 VanDerWaalsContact C-OH 3.24Å; L37-Y113 WeakPolarHBondContact CA-OH 3.47Å; L37-Y113 HydrophobicContact CB-CE2 4.45Å; L37-Y113 HydrophobicContact CD2-CD2 3.54Å; L37-Y113 HydrophobicContact CD2-CE2 3.31Å; L37-Y113 HydrophobicContact CD2-CG 4.41Å; L37-Y113 HydrophobicContact CG-CD2 4.31Å; L37-Y113 HydrophobicContact CG-CE2 4.01Å; L37-Y113 PolarHBondContact N-OH 2.92Å; L37-Y113 PolarHBondContact O-OH 3.01Å; G40-Y113 WeakPolarHBondContact CA-OH 3.17Å; G40-Y113 PolarHBondContact N-OH 2.81Å; L42-Y113 HydrophobicContact CD2-CD1 4.18Å; M110-Y113 HydrophobicContact CE-CD2 3.3Å; M110-Y113 HydrophobicContact CE-CE2 3.44Å; M110-Y113 VanDerWaalsContact CE-CE2 3.44Å; M110-Y113 HydrophobicContact SD-CD2 3.6Å; M110-Y113 HydrophobicContact SD-CE2 4.35Å; Y113-V115 VanDerWaalsContact C-N 3.25Å; Y113-V115 PolarHBondContact O-N 2.79Å
114	S	80.1	Confident	88	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.063	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	44.6	-177.4	-82	0	0	0	0	112.4	V48 L82 F83 I84 Y109 M110	V48-S114 WeakPolarHBondContact CG1-OG 3.5Å; V48-S114 WeakPolarHBondContact CG2-OG 3Å; L82-S114 CarbonylContact C-O 3.38Å; F83-S114 WeakPolarHBondContact CA-O 3.41Å; F83-S114 PolarHBondContact N-O 3.29Å; I84-S114 PolarHBondContact N-O 3.37Å; I84-S114 WeakPolarHBondContact O-CB 3.41Å; I84-S114 PolarHBondContact O-OG 3.07Å; Y109-S114 PolarHBondContact OH-OG 3.41Å; M110-S114 WeakPolarHBondContact O-CA 3.44Å; M110-S114 PolarHBondContact O-N 3.17Å
115	V	89	Confident	87.3	Confident	16 Å²	16	36 Å²	36	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.7	178.1	-178.9	0	0	0	0	108.8	R80 Q81 L82 Y109 M110 Y113	R80-V115 HydrophobicContact CG-CG1 4.03Å; Q81-V115 WeakPolarHBondContact O-CA 3.45Å; L82-V115 HydrophobicContact CD2-CB 4.39Å; L82-V115 HydrophobicContact CD2-CG1 3.99Å; L82-V115 HydrophobicContact CD2-CG2 3.75Å; Y109-V115 CarbonylContact C-O 3.55Å; Y109-V115 WeakPolarHBondContact CA-O 3.25Å; Y109-V115 WeakPolarHBondContact CD2-O 3.36Å; M110-V115 HydrophobicContact CB-CB 4.04Å; M110-V115 PolarHBondContact N-O 3.19Å; M110-V115 PolarHBondContact O-N 3.39Å; Y113-V115 VanDerWaalsContact C-N 3.25Å; Y113-V115 PolarHBondContact O-N 2.79Å
116	C	91.2	Very high	86.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.8	-176.8	173.5	0	0	0	0	109	R80 Q81 I84 C89 Y109	R80-C116 CarbonylContact C-O 3.59Å; R80-C116 VanDerWaalsContact CA-O 3.31Å; R80-C116 WeakPolarHBondContact CA-O 3.22Å; Q81-C116 HydrophobicContact CB-CB 4.12Å; Q81-C116 PolarHBondContact N-O 2.8Å; Q81-C116 PolarHBondContact O-N 2.51Å; I84-C116 HydrophobicContact CG2-CB 3.33Å; C89-C116 WeakPolarHBondContact CA-SG 3.42Å; C89-C116 HydrophobicContact CB-CB 3.6Å; C89-C116 WeakPolarHBondContact CB-SG 3.34Å; C89-C116 WeakPolarHBondContact SG-CB 3Å; C89-C116 CovalentContact SG-SG 2Å; C89-C116 PolarHBondContact SG-SG 3.37Å; Y109-C116 HydrophobicContact CD2-CB 4.41Å
117	D	95.3	Very high	85.5	Confident	6 Å²	6	43 Å²	43	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.2	172.4	-69.2	-21.5	0	0	0	109.1	A77 D79 R80 V107 L108 Y119	A77-D117 HydrophobicContact CB-CB 3.65Å; D79-D117 WeakPolarHBondContact O-CA 3.4Å; R80-D117 WeakPolarHBondContact CB-OD1 3.27Å; R80-D117 WeakPolarHBondContact CG-OD1 3.46Å; R80-D117 IonicContact CZ-OD1 2.64Å; R80-D117 IonicContact CZ-OD2 3.77Å; R80-D117 IonicContact NE-OD1 2.73Å; R80-D117 PolarHBondContact NE-OD1 3.44Å; R80-D117 IonicContact NE-OD2 3.12Å; R80-D117 VanDerWaalsContact NH2-CG 3.35Å; R80-D117 IonicContact NH2-OD1 3.7Å; R80-D117 PolarHBondContact NH2-OD1 3.38Å; R80-D117 IonicContact NH2-OD2 2.65Å; R80-D117 PolarHBondContact NH2-OD2 2.69Å; V107-D117 CarbonylContact C-O 3.47Å; V107-D117 VanDerWaalsContact CA-O 3.3Å; V107-D117 WeakPolarHBondContact CA-O 3.38Å; L108-D117 HydrophobicContact CB-CB 4.11Å; L108-D117 PolarHBondContact N-O 2.79Å; L108-D117 PolarHBondContact O-N 3.19Å; D117-Y119 HydrophobicContact CB-CE2 3.77Å
118	L	93.9	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.3	176.5	-54.9	-178.7	0	0	0	108.7	A77 V78 D79 R92 C93 N96 Y98 V107	A77-L118 CarbonylContact C-O 3.53Å; A77-L118 WeakPolarHBondContact CA-O 3.37Å; V78-L118 HydrophobicContact CG1-CB 4.39Å; V78-L118 VanDerWaalsContact CG1-O 3.29Å; V78-L118 WeakPolarHBondContact CG1-O 3.29Å; V78-L118 PolarHBondContact N-O 3.15Å; D79-L118 HydrophobicContact CB-CB 4.36Å; D79-L118 HydrophobicContact CB-CD1 4.44Å; D79-L118 PolarHBondContact O-N 2.85Å; R92-L118 HydrophobicContact CG-CD1 4.13Å; C93-L118 HydrophobicContact CB-CD2 4.01Å; N96-L118 WeakPolarHBondContact ND2-CD1 3.25Å; Y98-L118 WeakPolarHBondContact OH-CB 3.38Å; Y98-L118 WeakPolarHBondContact OH-CD1 3.29Å; V107-L118 HydrophobicContact CB-CD2 4.37Å; V107-L118 HydrophobicContact CG1-CD2 4.16Å; V107-L118 HydrophobicContact CG2-CD2 3.68Å
119	Y	92.5	Very high	83.8	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141	179.7	-57.6	-88.9	0	0	0	110.2	V72 V75 A77 C104 V105 A106 L108 D117 L124	V72-Y119 HydrophobicContact CG2-CE1 4.46Å; V72-Y119 HydrophobicContact CG2-CE2 4.16Å; V75-Y119 HydrophobicContact CB-CD1 4.37Å; V75-Y119 HydrophobicContact CB-CE1 4.05Å; V75-Y119 HydrophobicContact CG2-CD1 4.15Å; V75-Y119 HydrophobicContact CG2-CE1 3.5Å; V75-Y119 VanDerWaalsContact CG2-CE1 3.5Å; A77-Y119 HydrophobicContact CB-CE1 4.13Å; C104-Y119 CarbonylContact C-O 3.58Å; C104-Y119 WeakPolarHBondContact CA-O 3Å; V105-Y119 PolarHBondContact N-O 2.9Å; A106-Y119 HydrophobicContact CB-CD2 4.41Å; A106-Y119 PolarHBondContact N-O 2.85Å; A106-Y119 PolarHBondContact O-N 3.46Å; L108-Y119 HydrophobicContact CB-CE2 3.64Å; D117-Y119 HydrophobicContact CB-CE2 3.77Å; Y119-L124 HydrophobicContact CD1-CD2 3.96Å; Y119-L124 HydrophobicContact CG-CD2 3.85Å; Y119-L124 HydrophobicContact CG-CG 4.46Å
120	T	89.7	Confident	83.2	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.031	28%	0.281	C	S	.	.			trans	-96.8	164.6	168.5	41.8	0	0	0	0	109.4	V78 Y98 Q102 R103 D122 G123 L124	V78-T120 HydrophobicContact CB-CG2 4.32Å; V78-T120 HydrophobicContact CG1-CG2 3.85Å; V78-T120 HydrophobicContact CG2-CG2 4.4Å; Y98-T120 HydrophobicContact CD2-CG2 3.37Å; Y98-T120 HydrophobicContact CE2-CG2 3.77Å; Y98-T120 HydrophobicContact CG-CG2 4.16Å; Q102-T120 HydrophobicContact CB-CG2 3.9Å; R103-T120 WeakPolarHBondContact O-CG2 3.34Å; T120-D122 VanDerWaalsContact C-N 3.32Å; T120-D122 WeakPolarHBondContact CB-OD1 3.13Å; T120-D122 PolarHBondContact O-N 3.26Å; T120-D122 PolarHBondContact OG1-OD1 2.92Å; T120-G123 PolarHBondContact O-N 2.73Å; T120-L124 PolarHBondContact O-N 3.44Å
121	S	85.7	Confident	82.8	Confident	70 Å²	70	57.8 Å²	57.8	49%	0.49	30%	0.297	S	S	.	.	H	α-helix	trans	-57.4	-45	-176.1	-56.1	0	0	0	0	112.5	V105 G123 L124 M125	V105-S121 WeakPolarHBondContact CG1-OG 3.13Å; S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 3.25Å; S121-L124 PolarHBondContact O-N 3.31Å; S121-L124 VanDerWaalsContact O-N 3.07Å; S121-M125 WeakPolarHBondContact O-CG 3.29Å; S121-M125 PolarHBondContact O-N 2.98Å
122	D	83.7	Confident	82.8	Confident	86 Å²	86	52.4 Å²	52.4	46%	0.46	28%	0.281	S	S	.	.	H	α-helix	trans	-56.7	-42.7	176.7	61.8	-27.4	0	0	0	112.7	Q102 T120 L124 M125	Q102-D122 PolarHBondContact NE2-OD1 2.53Å; Q102-D122 PolarHBondContact NE2-OD2 2.64Å; T120-D122 VanDerWaalsContact C-N 3.32Å; T120-D122 WeakPolarHBondContact CB-OD1 3.13Å; T120-D122 PolarHBondContact O-N 3.26Å; T120-D122 PolarHBondContact OG1-OD1 2.92Å; D122-L124 PolarHBondContact O-N 3.29Å; D122-M125 PolarHBondContact O-N 2.72Å
123	G	81.1	Confident	83.1	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-19.9	178.1	0	0	0	0	0	113.9	V75 T120 S121	V75-G123 WeakPolarHBondContact CB-O 3.41Å; V75-G123 WeakPolarHBondContact CG1-O 3.42Å; T120-G123 PolarHBondContact O-N 2.73Å; S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 3.25Å
124	L	84.1	Confident	83.6	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-100.2	-7.9	178.7	-61.1	175.6	0	0	0	113.6	V75 V105 A106 Y119 T120 S121 D122 T126 L129	V75-L124 HydrophobicContact CG1-CD2 4.34Å; V105-L124 HydrophobicContact CG2-CD1 3.73Å; A106-L124 HydrophobicContact CB-CD1 3.67Å; Y119-L124 HydrophobicContact CD1-CD2 3.96Å; Y119-L124 HydrophobicContact CG-CD2 3.85Å; Y119-L124 HydrophobicContact CG-CG 4.46Å; T120-L124 PolarHBondContact O-N 3.44Å; S121-L124 PolarHBondContact O-N 3.31Å; S121-L124 VanDerWaalsContact O-N 3.07Å; D122-L124 PolarHBondContact O-N 3.29Å; L124-T126 PolarHBondContact O-N 2.83Å; L124-L129 HydrophobicContact CB-CD1 4.01Å; L124-L129 HydrophobicContact CD2-CD1 3.9Å; L124-L129 WeakPolarHBondContact O-CD1 3.1Å
125	M	74.3	Confident	83.7	Confident	139 Å²	139	67.2 Å²	67.2	69%	0.685	35%	0.35	S	S	*	.			trans	-81	28.2	-178.7	-70.6	-63.2	99.5	0	0	113.6	S121 D122	S121-M125 WeakPolarHBondContact O-CG 3.29Å; S121-M125 PolarHBondContact O-N 2.98Å; D122-M125 PolarHBondContact O-N 2.72Å
126	T	74.6	Confident	83.6	Confident	47 Å²	47	67.5 Å²	67.5	29%	0.288	36%	0.356	S	S	.	.			trans	-86.7	130.1	-179.4	86	0	0	0	0	110.4	N74 V75 L124 A128 L129	N74-T126 PolarHBondContact O-OG1 2.74Å; N74-T126 VanDerWaalsContact O-OG1 3.07Å; V75-T126 HydrophobicContact CG1-CG2 4.16Å; L124-T126 PolarHBondContact O-N 2.83Å; T126-A128 PolarHBondContact O-N 2.87Å; T126-A128 VanDerWaalsContact O-N 3.08Å; T126-L129 VanDerWaalsContact O-CB 3.26Å; T126-L129 WeakPolarHBondContact O-CB 3.38Å; T126-L129 PolarHBondContact O-N 3.17Å; T126-L129 PolarHBondContact OG1-N 3.1Å
127	P	70.5	Confident	83.6	Confident	142 Å²	142	69.8 Å²	69.8	92%	0.922	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.6	177.3	-23.4	32.1	0	0	0	113.6
128	A	74.5	Confident	83.3	Confident	49 Å²	49	70.4 Å²	70.4	41%	0.405	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.2	179.1	0	0	0	0	0	113.4	N74 T126 K130	N74-A128 HydrophobicContact CB-CB 3.97Å; N74-A128 PolarHBondContact ND2-O 2.72Å; T126-A128 PolarHBondContact O-N 2.87Å; T126-A128 VanDerWaalsContact O-N 3.08Å; A128-K130 PolarHBondContact O-N 3.07Å
129	L	78.5	Confident	83.3	Confident	52 Å²	52	70.6 Å²	70.6	27%	0.272	37%	0.369	S	S	.	.			trans	-60.8	122.8	178.7	-172.5	157.2	0	0	0	109.6	V72 V75 L124 T126	V72-L129 HydrophobicContact CG1-CD2 4.24Å; V75-L129 HydrophobicContact CG1-CB 4.34Å; V75-L129 HydrophobicContact CG1-CD1 3.66Å; V75-L129 HydrophobicContact CG1-CG 4.02Å; L124-L129 HydrophobicContact CB-CD1 4.01Å; L124-L129 HydrophobicContact CD2-CD1 3.9Å; L124-L129 WeakPolarHBondContact O-CD1 3.1Å; T126-L129 VanDerWaalsContact O-CB 3.26Å; T126-L129 WeakPolarHBondContact O-CB 3.38Å; T126-L129 PolarHBondContact O-N 3.17Å; T126-L129 PolarHBondContact OG1-N 3.1Å
130	K	81.2	Confident	83.2	Confident	137 Å²	137	70.3 Å²	70.3	60%	0.596	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.2	171.4	-64.3	-178.2	-179.9	-179.9	0	109.5	V72 T73 A128 I132	V72-K130 WeakPolarHBondContact CA-O 3.21Å; T73-K130 PolarHBondContact N-O 3.03Å; T73-K130 PolarHBondContact OG1-O 3.03Å; A128-K130 PolarHBondContact O-N 3.07Å; K130-I132 HydrophobicContact CB-CG2 4.27Å
131	R	82.8	Confident	83.2	Confident	118 Å²	118	72.9 Å²	72.9	45%	0.445	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.1	167	-166.1	179.6	-53.9	-166.5	1.7	108	C70 V71 E141	C70-R131 HydrophobicContact CB-CG 4.34Å; V71-R131 WeakPolarHBondContact O-CA 3.37Å; R131-E141 IonicContact CZ-OE1 2.66Å; R131-E141 IonicContact CZ-OE2 3.59Å; R131-E141 IonicContact NH1-OE1 3.27Å; R131-E141 IonicContact NH1-OE2 3.66Å; R131-E141 PolarHBondContact NH1-OE2 3.07Å; R131-E141 IonicContact NH2-OE1 2.7Å; R131-E141 PolarHBondContact NH2-OE1 3.18Å; R131-E141 IonicContact NH2-OE2 3.38Å; R131-E141 PolarHBondContact NH2-OE2 3.42Å
132	I	84.1	Confident	83.2	Confident	72 Å²	72	70.9 Å²	70.9	37%	0.369	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.4	178.4	66.9	173.8	0	0	0	110	C70 V71 T73 K130 F134	C70-I132 CarbonylContact C-O 3.5Å; C70-I132 VanDerWaalsContact CA-O 3.31Å; C70-I132 WeakPolarHBondContact CA-O 3.49Å; V71-I132 HydrophobicContact CG1-CD1 3.82Å; V71-I132 HydrophobicContact CG1-CG1 3.33Å; V71-I132 PolarHBondContact N-O 3.16Å; V71-I132 PolarHBondContact O-N 3.06Å; T73-I132 HydrophobicContact CG2-CD1 3.62Å; T73-I132 HydrophobicContact CG2-CG1 3.96Å; K130-I132 HydrophobicContact CB-CG2 4.27Å; I132-F134 PolarHBondContact O-N 3.41Å
133	R	83.6	Confident	82.8	Confident	208 Å²	208	69 Å²	69	79%	0.785	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.6	173.3	-170.2	177.1	177.7	150	-3.9	109.1	N69	N69-R133 HydrophobicContact CB-CG 4.39Å; N69-R133 CarbonylContact O-C 3.09Å; N69-R133 WeakPolarHBondContact O-CA 3.45Å; N69-R133 VanDerWaalsContact O-CG 3.25Å; N69-R133 WeakPolarHBondContact O-CG 3.49Å
134	F	84	Confident	82	Confident	105 Å²	105	71.6 Å²	71.6	46%	0.461	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	118.3	176.1	-157.2	-66.1	0	0	0	110	N69 V71 I132 G136 Y137	N69-F134 CarbonylContact C-O 3.49Å; N69-F134 WeakPolarHBondContact CA-O 3.19Å; N69-F134 PolarHBondContact O-N 3.05Å; V71-F134 HydrophobicContact CB-CB 4.34Å; V71-F134 HydrophobicContact CG1-CB 3.64Å; V71-F134 HydrophobicContact CG1-CD2 4.44Å; V71-F134 HydrophobicContact CG1-CG 4.32Å; I132-F134 PolarHBondContact O-N 3.41Å; F134-G136 PolarHBondContact O-N 3.33Å; F134-Y137 HydrophobicContact CB-CD2 4.24Å; F134-Y137 AromaticContact CD1-CD2 3.35Å; F134-Y137 HydrophobicContact CD1-CD2 3.35Å; F134-Y137 AromaticContact CD1-CE2 3.33Å; F134-Y137 HydrophobicContact CD1-CE2 3.33Å; F134-Y137 HydrophobicContact CE1-CD2 4Å; F134-Y137 AromaticContact CE1-CE2 3.48Å; F134-Y137 HydrophobicContact CE1-CE2 3.48Å; F134-Y137 VanDerWaalsContact CE1-CE2 3.48Å; F134-Y137 HydrophobicContact CG-CD2 4.05Å; F134-Y137 HydrophobicContact CG-CE2 4.17Å; F134-Y137 HydrophobicContact CZ-CE2 4.42Å; F134-Y137 PolarHBondContact O-N 3.07Å
135	V	84.1	Confident	80.9	Confident	113 Å²	113	76.1 Å²	76.1	69%	0.685	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.7	-174.9	178	0	0	0	0	111	N69	N69-V135 WeakPolarHBondContact OD1-CA 3.26Å
136	G	85.2	Confident	80.3	Confident	22 Å²	22	71 Å²	71	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92	0.3	178.9	0	0	0	0	0	114.9	N69 R111 F134	N69-G136 PolarHBondContact OD1-N 2.87Å; R111-G136 PolarHBondContact N-O 3.42Å; F134-G136 PolarHBondContact O-N 3.33Å
137	Y	91.5	Very high	79.4	Confident	48 Å²	48	69.8 Å²	69.8	19%	0.188	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.2	173.8	-68	-104.3	0	0	0	110.7	N69 C70 V71 L108 Y109 M110 F134	N69-Y137 CarbonylContact C-O 3.5Å; N69-Y137 WeakPolarHBondContact CA-O 3.45Å; N69-Y137 PolarHBondContact N-O 3.07Å; C70-Y137 PolarHBondContact N-O 3.14Å; C70-Y137 WeakPolarHBondContact O-CB 3.01Å; V71-Y137 HydrophobicContact CG2-CD1 4.49Å; L108-Y137 HydrophobicContact CD1-CD1 3.98Å; L108-Y137 HydrophobicContact CD2-CD1 4.17Å; L108-Y137 HydrophobicContact CG-CD1 4.09Å; Y109-Y137 CarbonylContact O-C 3.42Å; Y109-Y137 WeakPolarHBondContact O-CA 3.37Å; M110-Y137 HydrophobicContact CB-CD1 3.92Å; M110-Y137 HydrophobicContact CB-CE1 3.77Å; M110-Y137 HydrophobicContact CE-CE2 3.92Å; M110-Y137 WeakPolarHBondContact CE-OH 3.26Å; M110-Y137 HydrophobicContact CG-CD1 4.06Å; M110-Y137 HydrophobicContact CG-CD2 4.42Å; M110-Y137 HydrophobicContact CG-CE1 3.67Å; M110-Y137 HydrophobicContact CG-CE2 4.06Å; M110-Y137 HydrophobicContact CG-CG 4.44Å; M110-Y137 HydrophobicContact SD-CE1 3.86Å; M110-Y137 HydrophobicContact SD-CE2 4.29Å; M110-Y137 VanDerWaalsContact SD-CZ 3.59Å; M110-Y137 PolarHBondContact SD-OH 3.08Å; M110-Y137 VanDerWaalsContact SD-OH 3.35Å; F134-Y137 HydrophobicContact CB-CD2 4.24Å; F134-Y137 AromaticContact CD1-CD2 3.35Å; F134-Y137 HydrophobicContact CD1-CD2 3.35Å; F134-Y137 AromaticContact CD1-CE2 3.33Å; F134-Y137 HydrophobicContact CD1-CE2 3.33Å; F134-Y137 HydrophobicContact CE1-CD2 4Å; F134-Y137 AromaticContact CE1-CE2 3.48Å; F134-Y137 HydrophobicContact CE1-CE2 3.48Å; F134-Y137 VanDerWaalsContact CE1-CE2 3.48Å; F134-Y137 HydrophobicContact CG-CD2 4.05Å; F134-Y137 HydrophobicContact CG-CE2 4.17Å; F134-Y137 HydrophobicContact CZ-CE2 4.42Å; F134-Y137 PolarHBondContact O-N 3.07Å
138	N	90.3	Very high	78.4	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.1	171.2	-67	-34.6	0	0	0	108.3	R68 N69 E86 Y109 Y140	R68-N138 WeakPolarHBondContact CA-OD1 3.06Å; N69-N138 PolarHBondContact N-OD1 3.22Å; E86-N138 PolarHBondContact OE1-ND2 2.78Å; Y109-N138 PolarHBondContact N-O 3.38Å; Y109-N138 PolarHBondContact O-N 3Å; N138-Y140 HydrophobicContact CB-CD2 4.32Å; N138-Y140 HydrophobicContact CB-CE2 3.48Å; N138-Y140 VanDerWaalsContact CB-CE2 3.48Å
139	Y	92.2	Very high	77.1	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.4	175.1	-179.9	-107.4	0	0	0	109.3	C67 V72 A106 V107 L108 E141	C67-Y139 PolarHBondContact N-O 3.06Å; C67-Y139 PolarHBondContact O-N 3.07Å; V72-Y139 HydrophobicContact CB-CE2 4.32Å; V72-Y139 HydrophobicContact CG1-CD1 4.38Å; V72-Y139 HydrophobicContact CG1-CD2 3.91Å; V72-Y139 HydrophobicContact CG1-CE1 4.03Å; V72-Y139 HydrophobicContact CG1-CE2 3.55Å; V72-Y139 HydrophobicContact CG1-CG 4.31Å; V72-Y139 HydrophobicContact CG2-CD2 4.01Å; V72-Y139 HydrophobicContact CG2-CE2 3.74Å; A106-Y139 HydrophobicContact CB-CE2 3.72Å; A106-Y139 VanDerWaalsContact CB-OH 3.3Å; A106-Y139 WeakPolarHBondContact CB-OH 3.16Å; V107-Y139 CarbonylContact O-C 3.25Å; V107-Y139 WeakPolarHBondContact O-CA 3.27Å; V107-Y139 WeakPolarHBondContact O-CD2 3.21Å; L108-Y139 HydrophobicContact CB-CD2 4.38Å; L108-Y139 HydrophobicContact CD1-CD2 4.48Å; Y139-E141 HydrophobicContact CD1-CG 4.09Å; Y139-E141 HydrophobicContact CE1-CG 3.31Å; Y139-E141 WeakPolarHBondContact CE1-OE1 3.47Å
140	Y	92.5	Very high	75.7	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.5	-177.9	-62.5	-97.4	0	0	0	109.6	I60 F64 L65 R66 E86 L90 A106 V107 N138	I60-Y140 HydrophobicContact CG1-CE1 4.49Å; I60-Y140 HydrophobicContact CG2-CE1 4.17Å; F64-Y140 HydrophobicContact CB-CD1 3.86Å; F64-Y140 HydrophobicContact CG-CD1 4.37Å; L65-Y140 CarbonylContact O-C 3.54Å; L65-Y140 VanDerWaalsContact O-CA 3.31Å; L65-Y140 WeakPolarHBondContact O-CA 3.44Å; R66-Y140 HydrophobicContact CB-CD1 3.76Å; R66-Y140 HydrophobicContact CB-CE1 3.66Å; R66-Y140 WeakPolarHBondContact CD-OH 3.39Å; R66-Y140 HydrophobicContact CG-CD1 3.86Å; R66-Y140 HydrophobicContact CG-CE1 3.4Å; E86-Y140 HydrophobicContact CG-CE2 4.3Å; E86-Y140 WeakPolarHBondContact OE1-CE2 3.49Å; E86-Y140 PolarHBondContact OE1-OH 2.89Å; L90-Y140 HydrophobicContact CD1-CD1 4.26Å; L90-Y140 HydrophobicContact CD1-CE1 3.95Å; L90-Y140 HydrophobicContact CD1-CE2 4.49Å; L90-Y140 HydrophobicContact CD2-CD1 3.77Å; L90-Y140 HydrophobicContact CD2-CD2 3.74Å; L90-Y140 HydrophobicContact CD2-CE1 4.23Å; L90-Y140 HydrophobicContact CD2-CE2 4.23Å; L90-Y140 HydrophobicContact CD2-CG 3.51Å; A106-Y140 CarbonylContact C-O 3.57Å; A106-Y140 WeakPolarHBondContact CA-O 3.2Å; A106-Y140 WeakPolarHBondContact CB-O 3.26Å; V107-Y140 HydrophobicContact CB-CD2 4.46Å; V107-Y140 PolarHBondContact N-O 3.47Å; V107-Y140 PolarHBondContact O-N 2.86Å; N138-Y140 HydrophobicContact CB-CD2 4.32Å; N138-Y140 HydrophobicContact CB-CE2 3.48Å; N138-Y140 VanDerWaalsContact CB-CE2 3.48Å
141	E	89.2	Confident	74.1	Confident	59 Å²	59	66.6 Å²	66.6	28%	0.276	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.9	172.3	-61.7	179.7	134.4	0	0	107.8	F64 L65 R131 Y139 E143	F64-E141 CarbonylContact C-O 3.53Å; F64-E141 VanDerWaalsContact CA-O 3.23Å; F64-E141 WeakPolarHBondContact CA-O 3.32Å; L65-E141 HydrophobicContact CB-CB 4.35Å; L65-E141 PolarHBondContact N-O 3.24Å; L65-E141 PolarHBondContact O-N 2.84Å; R131-E141 IonicContact CZ-OE1 2.66Å; R131-E141 IonicContact CZ-OE2 3.59Å; R131-E141 IonicContact NH1-OE1 3.27Å; R131-E141 IonicContact NH1-OE2 3.66Å; R131-E141 PolarHBondContact NH1-OE2 3.07Å; R131-E141 IonicContact NH2-OE1 2.7Å; R131-E141 PolarHBondContact NH2-OE1 3.18Å; R131-E141 IonicContact NH2-OE2 3.38Å; R131-E141 PolarHBondContact NH2-OE2 3.42Å; Y139-E141 HydrophobicContact CD1-CG 4.09Å; Y139-E141 HydrophobicContact CE1-CG 3.31Å; Y139-E141 WeakPolarHBondContact CE1-OE1 3.47Å; E141-E143 PolarHBondContact O-N 2.8Å
142	R	85.8	Confident	72.6	Confident	28 Å²	28	62.6 Å²	62.6	11%	0.106	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.6	178.9	-172.7	-178.2	178.5	170	3.9	108.3	C63 F64 C93 T94 C104 V105 C146	C63-R142 CarbonylContact O-C 3.5Å; C63-R142 WeakPolarHBondContact O-CA 3.15Å; F64-R142 HydrophobicContact CD1-CB 4.08Å; F64-R142 HydrophobicContact CE1-CB 3.78Å; F64-R142 HydrophobicContact CE1-CG 4.07Å; F64-R142 HydrophobicContact CZ-CG 4.47Å; C93-R142 PolarHBondContact O-NH1 2.92Å; T94-R142 PolarHBondContact O-NH2 3.29Å; T94-R142 VanDerWaalsContact O-NH2 3.17Å; C104-R142 VanDerWaalsContact O-CD 3.26Å; C104-R142 WeakPolarHBondContact O-CD 3.05Å; C104-R142 PolarHBondContact O-NH1 3.38Å; V105-R142 WeakPolarHBondContact O-CB 3.49Å; V105-R142 PolarHBondContact O-N 2.97Å; R142-C146 PolarHBondContact NH2-O 2.99Å
143	E	75.2	Confident	71.4	Confident	47 Å²	47	62.9 Å²	62.9	22%	0.22	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-78.4	143.6	172.6	-66	178.1	99.9	0	0	110.2	C63 L65 E141 R145 C146	C63-E143 PolarHBondContact O-N 2.79Å; L65-E143 HydrophobicContact CD1-CG 4.35Å; L65-E143 HydrophobicContact CD2-CG 4.3Å; L65-E143 HydrophobicContact CG-CG 3.76Å; E141-E143 PolarHBondContact O-N 2.8Å; E143-R145 HydrophobicContact CB-CG 3.85Å; E143-R145 PolarHBondContact O-N 2.03Å; E143-R145 IonicContact OE1-CZ 2.97Å; E143-R145 IonicContact OE1-NE 2.69Å; E143-R145 PolarHBondContact OE1-NE 2.93Å; E143-R145 IonicContact OE1-NH2 3.2Å; E143-R145 IonicContact OE2-CZ 3.41Å; E143-R145 IonicContact OE2-NE 3.17Å; E143-R145 PolarHBondContact OE2-NE 3.47Å; E143-R145 IonicContact OE2-NH2 3.66Å; E143-R145 PolarHBondContact OE2-NH2 3.24Å; E143-C146 PolarHBondContact O-N 2.92Å
144	N	64.3	Low	70.4	Confident	72 Å²	72	55.2 Å²	55.2	39%	0.385	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.9	-177.7	-54.1	-25.4	0	0	0	112.4	C146 T147 R163 E240	N144-C146 PolarHBondContact O-N 3.38Å; N144-C146 VanDerWaalsContact O-N 3.1Å; N144-T147 PolarHBondContact O-N 2.81Å; N144-T147 VanDerWaalsContact O-N 3.07Å; N144-T147 PolarHBondContact O-OG1 3.42Å; N144-R163 VanDerWaalsContact C-NH1 3.27Å; N144-R163 PolarHBondContact O-NH1 2.89Å; N144-E240 PolarHBondContact ND2-OE1 3.39Å; N144-E240 PolarHBondContact ND2-OE2 2.8Å
145	R	60	Low	70	Confident	118 Å²	118	50.3 Å²	50.3	45%	0.445	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.9	-20.8	175.6	59.7	-178.7	169.3	147.1	8.5	113.9	S61 H62 E143 N148	S61-R145 PolarHBondContact O-NH2 2.77Å; H62-R145 VanDerWaalsContact C-CZ 3.49Å; H62-R145 WeakPolarHBondContact O-CD 3.26Å; H62-R145 VanDerWaalsContact O-CG 3.27Å; H62-R145 WeakPolarHBondContact O-CG 3.34Å; H62-R145 PolarHBondContact O-NE 2.8Å; H62-R145 PolarHBondContact O-NH2 2.72Å; E143-R145 HydrophobicContact CB-CG 3.85Å; E143-R145 PolarHBondContact O-N 2.03Å; E143-R145 IonicContact OE1-CZ 2.97Å; E143-R145 IonicContact OE1-NE 2.69Å; E143-R145 PolarHBondContact OE1-NE 2.93Å; E143-R145 IonicContact OE1-NH2 3.2Å; E143-R145 IonicContact OE2-CZ 3.41Å; E143-R145 IonicContact OE2-NE 3.17Å; E143-R145 PolarHBondContact OE2-NE 3.47Å; E143-R145 IonicContact OE2-NH2 3.66Å; E143-R145 PolarHBondContact OE2-NH2 3.24Å; R145-N148 WeakPolarHBondContact O-CB 3.31Å
146	C	61.9	Low	69.4	Low	31 Å²	31	49.1 Å²	49.1	21%	0.209	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-101	9.7	176.7	-73.6	0	0	0	0	115	H62 C63 R142 E143 N144	H62-C146 PolarHBondContact O-SG 3.09Å; C63-C146 WeakPolarHBondContact CA-SG 3.42Å; C63-C146 HydrophobicContact CB-CB 3.33Å; C63-C146 WeakPolarHBondContact CB-SG 3.5Å; C63-C146 WeakPolarHBondContact SG-CB 3.2Å; C63-C146 CovalentContact SG-SG 2Å; C63-C146 PolarHBondContact SG-SG 3.18Å; R142-C146 PolarHBondContact NH2-O 2.99Å; E143-C146 PolarHBondContact O-N 2.92Å; N144-C146 PolarHBondContact O-N 3.38Å; N144-C146 VanDerWaalsContact O-N 3.1Å
147	T	55.9	Low	69	Low	21 Å²	21	50.1 Å²	50.1	13%	0.129	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.7	162.2	55.5	0	0	0	0	111.4	N144 E149 E186	N144-T147 PolarHBondContact O-N 2.81Å; N144-T147 VanDerWaalsContact O-N 3.07Å; N144-T147 PolarHBondContact O-OG1 3.42Å; T147-E149 PolarHBondContact O-N 2.95Å; T147-E186 VanDerWaalsContact C-OE1 3.28Å; T147-E186 VanDerWaalsContact CB-CD 3.49Å; T147-E186 WeakPolarHBondContact CB-OE1 2.9Å; T147-E186 VanDerWaalsContact O-CG 3.25Å; T147-E186 WeakPolarHBondContact O-CG 3.16Å; T147-E186 PolarHBondContact OG1-OE1 3.24Å
148	N	49.4	Very low	68.1	Low	35 Å²	35	58.1 Å²	58.1	19%	0.187	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.8	-168.7	-95.5	-14.2	0	0	0	119.4	R145 H150 A151 A152 R163	R145-N148 WeakPolarHBondContact O-CB 3.31Å; N148-H150 PolarHBondContact O-N 2Å; N148-A151 PolarHBondContact O-N 3.26Å; N148-A152 PolarHBondContact O-N 3.22Å; N148-R163 WeakPolarHBondContact ND2-CD 3.38Å; N148-R163 PolarHBondContact ND2-NH1 3.37Å; N148-R163 WeakPolarHBondContact OD1-CD 3.48Å; N148-R163 PolarHBondContact OD1-NH1 3.15Å
149	E	47.6	Very low	67.6	Low	175 Å²	175	58.3 Å²	58.3	82%	0.818	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-21.8	-178.4	-75.6	-174.4	163.6	0	0	111.9	T147	T147-E149 PolarHBondContact O-N 2.95Å
150	H	48	Very low	66.9	Low	102 Å²	102	63.9 Å²	63.9	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-83.3	-27.4	173.7	-68.8	-54.1	0	0	0	114.6	N148 S153 S154	N148-H150 PolarHBondContact O-N 2Å; H150-S153 WeakPolarHBondContact CA-OG 3.01Å; H150-S153 PolarHBondContact O-N 3.25Å; H150-S153 PolarHBondContact O-OG 2.97Å; H150-S154 PolarHBondContact O-N 2.94Å; H150-S154 VanDerWaalsContact O-N 3.13Å; H150-S154 PolarHBondContact O-OG 2.62Å
151	A	49.5	Very low	66.4	Low	1 Å²	1	64.9 Å²	64.9	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-47.6	179.9	0	0	0	0	0	111.2	N148 S153 S154 I161 E186 I189	N148-A151 PolarHBondContact O-N 3.26Å; A151-S153 VanDerWaalsContact C-N 3.3Å; A151-S153 PolarHBondContact O-N 2.82Å; A151-S154 VanDerWaalsContact O-CB 3.32Å; A151-S154 WeakPolarHBondContact O-CB 3.48Å; A151-S154 PolarHBondContact O-N 3.23Å; A151-I161 HydrophobicContact CB-CD1 3.88Å; A151-I161 WeakPolarHBondContact O-CD1 3.43Å; A151-E186 HydrophobicContact CB-CG 4.25Å; A151-I189 HydrophobicContact CB-CD1 3.58Å; A151-I189 HydrophobicContact CB-CG2 4.23Å
152	A	50.6	Low	66.3	Low	34 Å²	34	66.5 Å²	66.5	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-33.4	175.1	0	0	0	0	0	112.4	N148 S154 C155	N148-A152 PolarHBondContact O-N 3.22Å; A152-S154 PolarHBondContact O-N 3.28Å; A152-C155 PolarHBondContact O-N 2.66Å
153	S	57.9	Low	66.3	Low	78 Å²	78	67.6 Å²	67.6	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-68.1	-18.6	173.7	76.3	0	0	0	0	113.7	H150 A151	H150-S153 WeakPolarHBondContact CA-OG 3.01Å; H150-S153 PolarHBondContact O-N 3.25Å; H150-S153 PolarHBondContact O-OG 2.97Å; A151-S153 VanDerWaalsContact C-N 3.3Å; A151-S153 PolarHBondContact O-N 2.82Å
154	S	64	Low	66.8	Low	48 Å²	48	67.1 Å²	67.1	34%	0.336	35%	0.351	S	S	.	.	H	α-helix	trans	-80.8	-21	177.3	-55.7	0	0	0	0	111.8	H150 A151 A152 P156 L193	H150-S154 PolarHBondContact O-N 2.94Å; H150-S154 VanDerWaalsContact O-N 3.13Å; H150-S154 PolarHBondContact O-OG 2.62Å; A151-S154 VanDerWaalsContact O-CB 3.32Å; A151-S154 WeakPolarHBondContact O-CB 3.48Å; A151-S154 PolarHBondContact O-N 3.23Å; A152-S154 PolarHBondContact O-N 3.28Å; S154-P156 WeakPolarHBondContact O-CD 3.31Å; S154-L193 VanDerWaalsContact CB-CD1 3.49Å; S154-L193 WeakPolarHBondContact O-CD1 3.31Å
155	C	74.1	Confident	67.5	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	36%	0.361	C	S	.	.	S	Bend	trans	-74.8	124.4	175.9	-69.7	0	0	0	0	110.6	A152 S157 R158 I161 C247	A152-C155 PolarHBondContact O-N 2.66Å; C155-S157 PolarHBondContact O-N 2.7Å; C155-S157 VanDerWaalsContact O-N 3.17Å; C155-R158 WeakPolarHBondContact O-CA 3.27Å; C155-R158 PolarHBondContact O-N 3.27Å; C155-I161 VanDerWaalsContact SG-CD1 3.58Å; C155-C247 HydrophobicContact CB-CB 3.51Å; C155-C247 WeakPolarHBondContact CB-SG 3.35Å; C155-C247 WeakPolarHBondContact SG-CB 3.17Å; C155-C247 CovalentContact SG-SG 2.01Å; C155-C247 PolarHBondContact SG-SG 2.84Å
156	P	72.7	Confident	68.3	Low	87 Å²	87	70.7 Å²	70.7	57%	0.565	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.3	-179.9	-27.5	35.4	0	0	0	113.3	S154 R158	S154-P156 WeakPolarHBondContact O-CD 3.31Å; P156-R158 VanDerWaalsContact C-N 3.28Å; P156-R158 PolarHBondContact O-N 2.86Å
157	S	76.7	Confident	69.2	Low	44 Å²	44	71.1 Å²	71.1	31%	0.308	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.1	177.5	58.6	0	0	0	0	114.3	C155 A159 S246 C247	C155-S157 PolarHBondContact O-N 2.7Å; C155-S157 VanDerWaalsContact O-N 3.17Å; S157-A159 PolarHBondContact O-N 3.37Å; S157-A159 VanDerWaalsContact O-N 3.14Å; S157-A159 VanDerWaalsContact OG-CB 3.26Å; S157-A159 WeakPolarHBondContact OG-CB 3.17Å; S157-A159 PolarHBondContact OG-N 2.84Å; S157-S246 PolarHBondContact OG-O 2.78Å; S157-C247 WeakPolarHBondContact OG-CA 3.34Å
158	R	73.1	Confident	70.5	Confident	215 Å²	215	71.9 Å²	71.9	81%	0.811	37%	0.374	S	S	*	.			trans	52.8	23.2	-166.4	-60.2	-177.4	172.8	176.6	-1.5	113.6	C155 P156	C155-R158 WeakPolarHBondContact O-CA 3.27Å; C155-R158 PolarHBondContact O-N 3.27Å; P156-R158 VanDerWaalsContact C-N 3.28Å; P156-R158 PolarHBondContact O-N 2.86Å
159	A	79.1	Confident	72.2	Confident	23 Å²	23	70.3 Å²	70.3	19%	0.19	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-62.1	150	176.7	0	0	0	0	0	111.1	S157 S246	S157-A159 PolarHBondContact O-N 3.37Å; S157-A159 VanDerWaalsContact O-N 3.14Å; S157-A159 VanDerWaalsContact OG-CB 3.26Å; S157-A159 WeakPolarHBondContact OG-CB 3.17Å; S157-A159 PolarHBondContact OG-N 2.84Å; A159-S246 VanDerWaalsContact CB-O 3.23Å; A159-S246 WeakPolarHBondContact CB-O 3.22Å
160	T	76.8	Confident	73.9	Confident	122 Å²	122	65.6 Å²	65.6	75%	0.748	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-69.6	131.4	172.2	49.9	0	0	0	0	109.8	S246	T160-S246 PolarHBondContact O-OG 3.47Å
161	I	83.4	Confident	75.3	Confident	21 Å²	21	61 Å²	61	11%	0.108	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-87.4	123	173.3	-64.6	175.9	0	0	0	108	A151 C155 I189 A242 S243 V244	A151-I161 HydrophobicContact CB-CD1 3.88Å; A151-I161 WeakPolarHBondContact O-CD1 3.43Å; C155-I161 VanDerWaalsContact SG-CD1 3.58Å; I161-I189 HydrophobicContact CD1-CD1 3.98Å; I161-I189 HydrophobicContact CD1-CG2 3.55Å; I161-I189 HydrophobicContact CG2-CD1 4.02Å; I161-A242 HydrophobicContact CG2-CB 3.8Å; I161-S243 VanDerWaalsContact CG2-O 3.29Å; I161-S243 WeakPolarHBondContact CG2-O 2.91Å; I161-V244 HydrophobicContact CD1-CG1 4.17Å; I161-V244 HydrophobicContact CG1-CG1 4.35Å; I161-V244 HydrophobicContact CG2-CG1 4.17Å
162	E	86.1	Confident	76.7	Confident	92 Å²	92	63.2 Å²	63.2	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.1	175.5	-178.4	177.5	-169.2	0	0	109.7	I164 H224 A242 S243	E162-I164 HydrophobicContact CG-CG1 4.2Å; E162-H224 IonicContact OE2-CE1 2.7Å; E162-H224 PolarHBondContact OE2-CE1 3.49Å; E162-H224 IonicContact OE2-NE2 3.9Å; E162-H224 PolarHBondContact OE2-NE2 2.75Å; E162-A242 CarbonylContact O-C 3.57Å; E162-A242 WeakPolarHBondContact O-CA 3.06Å; E162-S243 PolarHBondContact N-O 3.31Å; E162-S243 PolarHBondContact O-N 2.73Å
163	R	86.7	Confident	77.7	Confident	51 Å²	51	69.7 Å²	69.7	19%	0.192	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.4	178.1	-67.2	-178.7	70.6	173.8	8.6	110	N144 N148 F185 E240 Y241 A242	N144-R163 VanDerWaalsContact C-NH1 3.27Å; N144-R163 PolarHBondContact O-NH1 2.89Å; N148-R163 WeakPolarHBondContact ND2-CD 3.38Å; N148-R163 PolarHBondContact ND2-NH1 3.37Å; N148-R163 WeakPolarHBondContact OD1-CD 3.48Å; N148-R163 PolarHBondContact OD1-NH1 3.15Å; R163-F185 HydrophobicContact CG-CE1 4.01Å; R163-F185 HydrophobicContact CG-CZ 3.93Å; R163-F185 VanDerWaalsContact CZ-CD1 3.48Å; R163-F185 VanDerWaalsContact NH2-CD1 3.31Å; R163-E240 IonicContact CZ-OE2 3.72Å; R163-E240 IonicContact NH2-OE2 2.65Å; R163-E240 PolarHBondContact NH2-OE2 2.86Å; R163-Y241 WeakPolarHBondContact CA-O 3.17Å; R163-A242 HydrophobicContact CG-CB 4.24Å
164	I	84.8	Confident	78.8	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.195	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	107	178.1	-43.6	176.3	0	0	0	107.8	E162 K167 L231 Y241	E162-I164 HydrophobicContact CG-CG1 4.2Å; I164-K167 HydrophobicContact CB-CB 4.4Å; I164-K167 HydrophobicContact CB-CG 4.02Å; I164-K167 HydrophobicContact CG2-CB 4.32Å; I164-K167 HydrophobicContact CG2-CG 3.43Å; I164-K167 VanDerWaalsContact CG2-CG 3.43Å; I164-L231 HydrophobicContact CD1-CD2 3.82Å; I164-Y241 HydrophobicContact CB-CD1 4.05Å; I164-Y241 HydrophobicContact CD1-CD1 3.97Å; I164-Y241 HydrophobicContact CD1-CE1 4.07Å; I164-Y241 HydrophobicContact CG1-CD1 4Å; I164-Y241 HydrophobicContact CG1-CE1 4.46Å; I164-Y241 PolarHBondContact N-O 3.28Å; I164-Y241 WeakPolarHBondContact O-CB 3.42Å; I164-Y241 PolarHBondContact O-N 3.42Å; I164-Y241 VanDerWaalsContact O-N 3.11Å
165	P	79.5	Confident	79.7	Confident	92 Å²	92	70.8 Å²	70.8	60%	0.597	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	149.4	179.9	29.2	-34.1	0	0	0	110.6	K167	P165-K167 VanDerWaalsContact C-N 3.29Å; P165-K167 PolarHBondContact O-N 3.4Å
166	R	76.4	Confident	80.1	Confident	173 Å²	173	74.5 Å²	74.5	65%	0.653	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	39.5	177.8	-67.6	-174.5	-85.9	174.7	-7.2	113.5	D233 S234 A239	R166-D233 WeakPolarHBondContact O-CA 3.29Å; R166-S234 PolarHBondContact O-N 3.45Å; R166-A239 WeakPolarHBondContact CA-O 3.43Å; R166-A239 PolarHBondContact N-O 3.19Å
167	K	80.6	Confident	80.4	Confident	39 Å²	39	73.9 Å²	73.9	17%	0.17	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.6	172.3	-69.5	-63	-164.2	-179.6	0	111.3	I164 P165 L231 F232 D233 Y241	I164-K167 HydrophobicContact CB-CB 4.4Å; I164-K167 HydrophobicContact CB-CG 4.02Å; I164-K167 HydrophobicContact CG2-CB 4.32Å; I164-K167 HydrophobicContact CG2-CG 3.43Å; I164-K167 VanDerWaalsContact CG2-CG 3.43Å; P165-K167 VanDerWaalsContact C-N 3.29Å; P165-K167 PolarHBondContact O-N 3.4Å; K167-L231 HydrophobicContact CB-CD1 3.88Å; K167-L231 HydrophobicContact CB-CD2 4.43Å; K167-L231 HydrophobicContact CB-CG 4.09Å; K167-L231 HydrophobicContact CD-CD2 4.34Å; K167-L231 HydrophobicContact CD-CG 4.14Å; K167-L231 HydrophobicContact CG-CD2 4.19Å; K167-L231 HydrophobicContact CG-CG 4.2Å; K167-F232 VanDerWaalsContact CA-O 3.27Å; K167-F232 WeakPolarHBondContact CA-O 3.38Å; K167-F232 VanDerWaalsContact CD-O 3.26Å; K167-F232 WeakPolarHBondContact CD-O 3.5Å; K167-D233 WeakPolarHBondContact CD-OD1 3.38Å; K167-D233 WeakPolarHBondContact CE-OD1 3.33Å; K167-D233 IonicContact NZ-OD1 2.72Å; K167-D233 PolarHBondContact NZ-OD1 2.75Å; K167-D233 IonicContact NZ-OD2 3.47Å; K167-D233 PolarHBondContact NZ-OD2 3.42Å; K167-Y241 HydrophobicContact CB-CG 4.45Å
168	V	83.1	Confident	80.6	Confident	38 Å²	38	73.4 Å²	73.4	23%	0.23	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	174.4	170.6	0	0	0	0	107.1	V170 I207 F232 A239	V168-V170 HydrophobicContact CG1-CG2 4Å; V168-I207 HydrophobicContact CB-CD1 4.48Å; V168-I207 HydrophobicContact CG1-CD1 3.94Å; V168-I207 HydrophobicContact CG2-CG2 4.26Å; V168-F232 PolarHBondContact N-O 3.06Å; V168-F232 PolarHBondContact O-N 3.07Å; V168-A239 HydrophobicContact CG2-CB 3.63Å
169	L	86.1	Confident	81.1	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.3	172.1	-174.4	71.4	0	0	0	108.6	L171 S205 I207 N220 G222 Q230 L231 Y241	L169-L171 HydrophobicContact CD1-CD2 4.29Å; L169-L171 HydrophobicContact CD2-CD1 4.24Å; L169-L171 HydrophobicContact CD2-CD2 3.76Å; L169-L171 HydrophobicContact CD2-CG 4.01Å; L169-L171 HydrophobicContact CG-CD2 3.83Å; L169-L171 HydrophobicContact CG-CG 4.09Å; L169-S205 VanDerWaalsContact CD2-OG 3.32Å; L169-S205 WeakPolarHBondContact CD2-OG 3.13Å; L169-I207 HydrophobicContact CB-CD1 4.22Å; L169-I207 WeakPolarHBondContact O-CD1 3.35Å; L169-N220 HydrophobicContact CD2-CB 4.29Å; L169-G222 WeakPolarHBondContact CD2-O 3.5Å; L169-Q230 WeakPolarHBondContact CA-O 3.46Å; L169-Q230 HydrophobicContact CD1-CB 4.08Å; L169-L231 HydrophobicContact CB-CD1 4.23Å; L169-L231 HydrophobicContact CD1-CB 4.4Å; L169-L231 HydrophobicContact CD1-CD1 4.31Å; L169-Y241 HydrophobicContact CB-CD2 4.16Å; L169-Y241 HydrophobicContact CB-CE2 3.88Å; L169-Y241 HydrophobicContact CD2-CE2 4.16Å
170	V	83.5	Confident	81	Confident	76 Å²	76	68.3 Å²	68.3	46%	0.461	37%	0.37	S	S	.	.			trans	-111.9	98.7	179.5	-178	0	0	0	0	109	V168 Q230 F232	V168-V170 HydrophobicContact CG1-CG2 4Å; V170-Q230 PolarHBondContact N-O 3.23Å; V170-Q230 WeakPolarHBondContact O-CB 3.48Å; V170-Q230 PolarHBondContact O-OE1 3.28Å; V170-F232 HydrophobicContact CB-CD2 4.22Å; V170-F232 HydrophobicContact CB-CE2 4.12Å; V170-F232 HydrophobicContact CG2-CD2 3.94Å; V170-F232 HydrophobicContact CG2-CE2 4.31Å
171	L	77.1	Confident	80.8	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.037	36%	0.36	C	S	.	.			trans	-85.7	156.9	-179.9	-59.9	179.7	0	0	0	112	L169 L175 Q177 N220 F227 Q230	L169-L171 HydrophobicContact CD1-CD2 4.29Å; L169-L171 HydrophobicContact CD2-CD1 4.24Å; L169-L171 HydrophobicContact CD2-CD2 3.76Å; L169-L171 HydrophobicContact CD2-CG 4.01Å; L169-L171 HydrophobicContact CG-CD2 3.83Å; L169-L171 HydrophobicContact CG-CG 4.09Å; L171-L175 HydrophobicContact CB-CB 4.09Å; L171-L175 HydrophobicContact CB-CD1 3.94Å; L171-L175 HydrophobicContact CD1-CB 4.12Å; L171-L175 HydrophobicContact CD1-CD1 4.22Å; L171-L175 HydrophobicContact CD2-CD1 4.07Å; L171-L175 HydrophobicContact CG-CD1 4.31Å; L171-Q177 HydrophobicContact CB-CG 4.28Å; L171-Q177 HydrophobicContact CD1-CG 4.36Å; L171-Q177 PolarHBondContact O-NE2 2.82Å; L171-Q177 VanDerWaalsContact O-NE2 3.09Å; L171-N220 HydrophobicContact CD1-CB 3.88Å; L171-F227 HydrophobicContact CD2-CB 4.09Å; L171-F227 HydrophobicContact CD2-CD2 3.34Å; L171-F227 HydrophobicContact CD2-CE2 3.95Å; L171-F227 HydrophobicContact CD2-CG 3.77Å; L171-Q230 VanDerWaalsContact CD2-OE1 3.29Å
172	A	77.5	Confident	80	Confident	47 Å²	47	67.2 Å²	67.2	39%	0.388	36%	0.356	S	S	.	.			trans	-63.5	152	170.8	0	0	0	0	0	111.4	S174 L175	A172-S174 PolarHBondContact O-N 2.85Å; A172-L175 PolarHBondContact O-N 3.49Å
173	N	72.2	Confident	79.1	Confident	170 Å²	170	66.8 Å²	66.8	91%	0.909	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.2	-178.5	-63.3	1	0	0	0	114.6	L175	N173-L175 VanDerWaalsContact C-N 3.29Å
174	S	81.4	Confident	78.2	Confident	110 Å²	110	65.1 Å²	65.1	77%	0.769	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.3	176.1	58.9	0	0	0	0	113.9	A172	A172-S174 PolarHBondContact O-N 2.85Å
175	L	82.6	Confident	77.7	Confident	39 Å²	39	63.6 Å²	63.6	20%	0.204	35%	0.349	C	S	.	.	S	Bend	trans	-103.7	146	179.5	-66.4	163	0	0	0	109.9	L171 A172 N173 Q177 E221 F227	L171-L175 HydrophobicContact CB-CB 4.09Å; L171-L175 HydrophobicContact CB-CD1 3.94Å; L171-L175 HydrophobicContact CD1-CB 4.12Å; L171-L175 HydrophobicContact CD1-CD1 4.22Å; L171-L175 HydrophobicContact CD2-CD1 4.07Å; L171-L175 HydrophobicContact CG-CD1 4.31Å; A172-L175 PolarHBondContact O-N 3.49Å; N173-L175 VanDerWaalsContact C-N 3.29Å; L175-Q177 PolarHBondContact O-N 2.91Å; L175-E221 HydrophobicContact CD2-CG 4.46Å; L175-F227 HydrophobicContact CD1-CD2 4.33Å; L175-F227 HydrophobicContact CD1-CE1 3.91Å; L175-F227 HydrophobicContact CD1-CE2 3.54Å; L175-F227 HydrophobicContact CD1-CZ 3.3Å; L175-F227 HydrophobicContact CD2-CZ 4.26Å; L175-F227 HydrophobicContact CG-CZ 4.41Å
176	Q	82.3	Confident	77.5	Confident	80 Å²	80	59.6 Å²	59.6	37%	0.374	32%	0.322	S	S	.	.			trans	-72.4	126.4	179.6	-58.3	-170.1	19.2	0	0	111.5	V178 F201 E221	Q176-V178 HydrophobicContact CB-CG2 4.4Å; Q176-F201 HydrophobicContact CB-CD2 4.25Å; Q176-F201 HydrophobicContact CB-CG 4.34Å; Q176-E221 HydrophobicContact CB-CB 4.12Å; Q176-E221 PolarHBondContact N-OE2 3.19Å; Q176-E221 PolarHBondContact O-N 3.39Å
177	Q	79.5	Confident	77.5	Confident	74 Å²	74	52.5 Å²	52.5	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	105	165.6	-66.1	-177.5	54.7	0	0	107	L171 L175 P179 I218 L219	L171-Q177 HydrophobicContact CB-CG 4.28Å; L171-Q177 HydrophobicContact CD1-CG 4.36Å; L171-Q177 PolarHBondContact O-NE2 2.82Å; L171-Q177 VanDerWaalsContact O-NE2 3.09Å; L175-Q177 PolarHBondContact O-N 2.91Å; Q177-P179 WeakPolarHBondContact O-CD 3.38Å; Q177-I218 HydrophobicContact CB-CG2 4.26Å; Q177-L219 CarbonylContact C-O 3.55Å; Q177-L219 WeakPolarHBondContact CA-O 3.27Å
178	V	81.4	Confident	77.7	Confident	34 Å²	34	50.7 Å²	50.7	21%	0.206	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.7	-173.4	-176.5	0	0	0	0	108.9	Q176 E180 F201 L219	Q176-V178 HydrophobicContact CB-CG2 4.4Å; V178-E180 HydrophobicContact CG1-CG 4.37Å; V178-F201 HydrophobicContact CB-CE1 4.17Å; V178-F201 HydrophobicContact CB-CZ 4.1Å; V178-F201 HydrophobicContact CG2-CD1 4.33Å; V178-F201 HydrophobicContact CG2-CE1 3.51Å; V178-F201 HydrophobicContact CG2-CZ 3.71Å; V178-L219 HydrophobicContact CB-CB 4.31Å; V178-L219 PolarHBondContact N-O 2Å; V178-L219 PolarHBondContact O-N 3.28Å
179	P	84	Confident	77.9	Confident	69 Å²	69	48.9 Å²	48.9	45%	0.448	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.8	174.6	30.4	-33.5	0	0	0	110.8	Q177 Y215 C217	Q177-P179 WeakPolarHBondContact O-CD 3.38Å; P179-Y215 HydrophobicContact CB-CD1 3.83Å; P179-Y215 HydrophobicContact CB-CG 4.23Å; P179-Y215 HydrophobicContact CG-CD1 4.32Å; P179-C217 CarbonylContact C-O 3.6Å
180	E	75.1	Confident	77.8	Confident	62 Å²	62	50.2 Å²	50.2	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.6	-173.6	-75.7	-70.9	168.9	0	0	109.6	V178 Y215 N216 C217 L219	V178-E180 HydrophobicContact CG1-CG 4.37Å; E180-Y215 CarbonylContact O-C 3.55Å; E180-Y215 VanDerWaalsContact O-C 3.25Å; E180-Y215 VanDerWaalsContact O-CA 3.26Å; E180-Y215 WeakPolarHBondContact O-CA 3.38Å; E180-N216 PolarHBondContact O-N 3.23Å; E180-C217 WeakPolarHBondContact CA-O 3.32Å; E180-C217 HydrophobicContact CB-CB 4.16Å; E180-C217 PolarHBondContact N-O 2.76Å; E180-C217 WeakPolarHBondContact O-CB 3.31Å; E180-C217 PolarHBondContact O-N 2.65Å; E180-C217 VanDerWaalsContact O-O 3.1Å; E180-L219 HydrophobicContact CG-CD1 3.91Å; E180-L219 HydrophobicContact CG-CG 4.11Å
181	Q	73.7	Confident	77.9	Confident	118 Å²	118	50.1 Å²	50.1	55%	0.551	28%	0.284	S	S	*	.			trans	-103.3	102.1	175.3	-176.7	-170.1	32	0	0	111	R191 L213 N216	Q181-R191 PolarHBondContact O-NH1 2.74Å; Q181-R191 PolarHBondContact O-NH2 3.3Å; Q181-L213 PolarHBondContact NE2-O 3.34Å; Q181-N216 WeakPolarHBondContact CA-OD1 2.94Å
182	A	67	Low	78.6	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	28%	0.283	C	S	.	.			trans	-103.1	136.4	179.3	0	0	0	0	0	112.9	S184 A187 C188 R191 Y208 N216 C217	A182-S184 PolarHBondContact O-N 3.25Å; A182-A187 HydrophobicContact CB-CB 4.3Å; A182-C188 HydrophobicContact CB-CB 3.8Å; A182-R191 VanDerWaalsContact N-NH1 3.12Å; A182-Y208 HydrophobicContact CB-CD2 4.41Å; A182-Y208 HydrophobicContact CB-CE2 4.09Å; A182-N216 PolarHBondContact N-OD1 2.89Å; A182-N216 PolarHBondContact O-ND2 2.51Å; A182-N216 PolarHBondContact O-OD1 3.08Å; A182-C217 HydrophobicContact CB-CB 3.6Å
183	P	66.1	Low	79.1	Confident	83 Å²	83	48.5 Å²	48.5	54%	0.539	27%	0.269	S	S	.	.	S	Bend	trans	-73.4	-9.1	175.9	30.3	-36.4	0	0	0	113.5	A187	P183-A187 HydrophobicContact CG-CB 3.9Å
184	S	67.4	Low	79.8	Confident	15 Å²	15	45.5 Å²	45.5	11%	0.105	25%	0.25	C	C	.	.	S	Bend	trans	-163.9	160.7	-179.1	56.6	0	0	0	0	111	A182 E186 A187 C188 Y208	A182-S184 PolarHBondContact O-N 3.25Å; S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 3.03Å; S184-A187 PolarHBondContact O-N 2.9Å; S184-A187 VanDerWaalsContact O-N 3.15Å; S184-A187 WeakPolarHBondContact OG-CB 3.19Å; S184-A187 PolarHBondContact OG-N 3.49Å; S184-C188 PolarHBondContact O-N 3.03Å; S184-Y208 VanDerWaalsContact C-CZ 3.49Å; S184-Y208 WeakPolarHBondContact CA-OH 3.34Å
185	F	75.5	Confident	80.1	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-52	-44.2	171.4	-175.2	-95.7	0	0	0	112.6	R163 A187 C188 I189 I206 Y208 E240 A242	R163-F185 HydrophobicContact CG-CE1 4.01Å; R163-F185 HydrophobicContact CG-CZ 3.93Å; R163-F185 VanDerWaalsContact CZ-CD1 3.48Å; R163-F185 VanDerWaalsContact NH2-CD1 3.31Å; F185-A187 PolarHBondContact O-N 3.37Å; F185-C188 VanDerWaalsContact O-CB 3.28Å; F185-C188 WeakPolarHBondContact O-CB 3.3Å; F185-C188 PolarHBondContact O-N 2.88Å; F185-C188 VanDerWaalsContact O-N 3.16Å; F185-I189 HydrophobicContact CD1-CD1 3.79Å; F185-I189 HydrophobicContact CD1-CG1 4.44Å; F185-I189 HydrophobicContact CE1-CD1 3.28Å; F185-I189 HydrophobicContact CE1-CG1 4.13Å; F185-I189 HydrophobicContact CZ-CD1 3.99Å; F185-I189 PolarHBondContact O-N 3.12Å; F185-I206 HydrophobicContact CD2-CD1 4.25Å; F185-I206 HydrophobicContact CE2-CD1 3.87Å; F185-I206 HydrophobicContact CZ-CD1 4.07Å; F185-Y208 HydrophobicContact CB-CD1 3.8Å; F185-Y208 HydrophobicContact CB-CE1 4.12Å; F185-Y208 HydrophobicContact CB-CG 4.21Å; F185-Y208 AromaticContact CD2-CD1 3.89Å; F185-Y208 HydrophobicContact CD2-CD1 3.89Å; F185-Y208 AromaticContact CD2-CG 3.97Å; F185-Y208 HydrophobicContact CD2-CG 3.97Å; F185-Y208 HydrophobicContact CG-CD1 4.37Å; F185-E240 HydrophobicContact CD2-CB 3.75Å; F185-E240 HydrophobicContact CE2-CB 3.52Å; F185-A242 HydrophobicContact CE1-CB 4.25Å; F185-A242 HydrophobicContact CE2-CB 4.31Å; F185-A242 HydrophobicContact CZ-CB 3.49Å; F185-A242 VanDerWaalsContact CZ-CB 3.49Å
186	E	76	Confident	80.4	Confident	8 Å²	8	43 Å²	43	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-34.9	-179.4	-62.7	69.1	-144.5	0	0	112.2	R103 T147 A151 S184 C188 I189 A190	R103-E186 IonicContact CZ-OE2 3.91Å; R103-E186 IonicContact NH1-OE2 2.93Å; R103-E186 PolarHBondContact NH1-OE2 3.31Å; T147-E186 VanDerWaalsContact C-OE1 3.28Å; T147-E186 VanDerWaalsContact CB-CD 3.49Å; T147-E186 WeakPolarHBondContact CB-OE1 2.9Å; T147-E186 VanDerWaalsContact O-CG 3.25Å; T147-E186 WeakPolarHBondContact O-CG 3.16Å; T147-E186 PolarHBondContact OG1-OE1 3.24Å; A151-E186 HydrophobicContact CB-CG 4.25Å; S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E186 PolarHBondContact O-N 3.03Å; E186-C188 VanDerWaalsContact C-N 3.28Å; E186-I189 PolarHBondContact O-N 2.79Å; E186-A190 WeakPolarHBondContact O-CB 3.43Å; E186-A190 PolarHBondContact O-N 3.14Å
187	A	75.9	Confident	80.2	Confident	25 Å²	25	46 Å²	46	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-35.6	173.9	0	0	0	0	0	110.9	A182 P183 S184 F185 A190 R191	A182-A187 HydrophobicContact CB-CB 4.3Å; P183-A187 HydrophobicContact CG-CB 3.9Å; S184-A187 PolarHBondContact O-N 2.9Å; S184-A187 VanDerWaalsContact O-N 3.15Å; S184-A187 WeakPolarHBondContact OG-CB 3.19Å; S184-A187 PolarHBondContact OG-N 3.49Å; F185-A187 PolarHBondContact O-N 3.37Å; A187-A190 PolarHBondContact O-N 3.02Å; A187-R191 WeakPolarHBondContact O-CG 3.31Å; A187-R191 PolarHBondContact O-N 2.95Å
188	C	84.2	Confident	79.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-45.6	173.6	-170.8	0	0	0	0	111.6	A182 S184 F185 E186 A190 R191 C192 I206 Y208 C217	A182-C188 HydrophobicContact CB-CB 3.8Å; S184-C188 PolarHBondContact O-N 3.03Å; F185-C188 VanDerWaalsContact O-CB 3.28Å; F185-C188 WeakPolarHBondContact O-CB 3.3Å; F185-C188 PolarHBondContact O-N 2.88Å; F185-C188 VanDerWaalsContact O-N 3.16Å; E186-C188 VanDerWaalsContact C-N 3.28Å; C188-A190 PolarHBondContact O-N 3.33Å; C188-R191 PolarHBondContact O-N 2.77Å; C188-C192 PolarHBondContact O-N 3.46Å; C188-I206 HydrophobicContact CB-CD1 3.78Å; C188-I206 VanDerWaalsContact SG-CD1 3.58Å; C188-Y208 HydrophobicContact CB-CD2 3.98Å; C188-C217 WeakPolarHBondContact CA-SG 3.33Å; C188-C217 HydrophobicContact CB-CB 3.77Å; C188-C217 WeakPolarHBondContact CB-SG 3.38Å; C188-C217 VanDerWaalsContact SG-CA 3.56Å; C188-C217 WeakPolarHBondContact SG-CB 3.33Å; C188-C217 CovalentContact SG-SG 2.02Å; C188-C217 PolarHBondContact SG-SG 3.43Å
189	I	88.3	Confident	79.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-47.5	173.1	-69.3	179.4	0	0	0	111.1	A151 I161 F185 E186 R191 C192 L193 I206 A242 V244	A151-I189 HydrophobicContact CB-CD1 3.58Å; A151-I189 HydrophobicContact CB-CG2 4.23Å; I161-I189 HydrophobicContact CD1-CD1 3.98Å; I161-I189 HydrophobicContact CD1-CG2 3.55Å; I161-I189 HydrophobicContact CG2-CD1 4.02Å; F185-I189 HydrophobicContact CD1-CD1 3.79Å; F185-I189 HydrophobicContact CD1-CG1 4.44Å; F185-I189 HydrophobicContact CE1-CD1 3.28Å; F185-I189 HydrophobicContact CE1-CG1 4.13Å; F185-I189 HydrophobicContact CZ-CD1 3.99Å; F185-I189 PolarHBondContact O-N 3.12Å; E186-I189 PolarHBondContact O-N 2.79Å; I189-R191 VanDerWaalsContact C-N 3.26Å; I189-R191 PolarHBondContact O-N 2.77Å; I189-C192 VanDerWaalsContact O-CB 3.31Å; I189-C192 WeakPolarHBondContact O-CB 3.35Å; I189-C192 PolarHBondContact O-N 3.15Å; I189-C192 VanDerWaalsContact O-N 3.11Å; I189-L193 HydrophobicContact CG2-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.27Å; I189-I206 HydrophobicContact CB-CD1 4.45Å; I189-I206 HydrophobicContact CD1-CD1 4.29Å; I189-I206 HydrophobicContact CG1-CD1 3.38Å; I189-I206 HydrophobicContact CG1-CG1 4.1Å; I189-A242 HydrophobicContact CD1-CB 4.26Å; I189-V244 HydrophobicContact CG2-CG1 4.22Å
190	A	84.2	Confident	79.8	Confident	29 Å²	29	48.3 Å²	48.3	24%	0.24	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-39	-180	0	0	0	0	0	111.8	E186 A187 C188 L193 Q194	E186-A190 WeakPolarHBondContact O-CB 3.43Å; E186-A190 PolarHBondContact O-N 3.14Å; A187-A190 PolarHBondContact O-N 3.02Å; C188-A190 PolarHBondContact O-N 3.33Å; A190-L193 PolarHBondContact O-N 3.19Å; A190-Q194 WeakPolarHBondContact O-CG 3.4Å; A190-Q194 PolarHBondContact O-N 2.92Å
191	R	84.7	Confident	80.6	Confident	74 Å²	74	45.5 Å²	45.5	28%	0.279	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-41.2	173.8	-70.2	-158	-168.6	114.7	-1.2	113.1	Q181 A182 A187 C188 I189 L193 Q194 A195 L219	Q181-R191 PolarHBondContact O-NH1 2.74Å; Q181-R191 PolarHBondContact O-NH2 3.3Å; A182-R191 VanDerWaalsContact N-NH1 3.12Å; A187-R191 WeakPolarHBondContact O-CG 3.31Å; A187-R191 PolarHBondContact O-N 2.95Å; C188-R191 PolarHBondContact O-N 2.77Å; I189-R191 VanDerWaalsContact C-N 3.26Å; I189-R191 PolarHBondContact O-N 2.77Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.46Å; R191-Q194 CarbonylContact O-C 3.49Å; R191-Q194 PolarHBondContact O-N 3.4Å; R191-Q194 VanDerWaalsContact O-N 3.1Å; R191-A195 PolarHBondContact O-N 3.09Å; R191-L219 HydrophobicContact CB-CD1 4.18Å; R191-L219 HydrophobicContact CB-CD2 4.32Å
192	C	92.4	Very high	81.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-46.6	173.7	-172.6	0	0	0	0	111.2	C188 I189 Q194 A195 C203 I206 L219 V244	C188-C192 PolarHBondContact O-N 3.46Å; I189-C192 VanDerWaalsContact O-CB 3.31Å; I189-C192 WeakPolarHBondContact O-CB 3.35Å; I189-C192 PolarHBondContact O-N 3.15Å; I189-C192 VanDerWaalsContact O-N 3.11Å; C192-Q194 PolarHBondContact O-N 3.31Å; C192-A195 WeakPolarHBondContact O-CB 3.35Å; C192-A195 PolarHBondContact O-N 3.23Å; C192-A195 VanDerWaalsContact O-N 3.09Å; C192-C203 WeakPolarHBondContact CA-SG 3.14Å; C192-C203 HydrophobicContact CB-CB 3.95Å; C192-C203 WeakPolarHBondContact CB-SG 3.41Å; C192-C203 VanDerWaalsContact O-CB 3.31Å; C192-C203 WeakPolarHBondContact O-CB 2.99Å; C192-C203 VanDerWaalsContact SG-C 3.56Å; C192-C203 WeakPolarHBondContact SG-CB 3.46Å; C192-C203 CovalentContact SG-SG 2.03Å; C192-C203 PolarHBondContact SG-SG 2.79Å; C192-I206 HydrophobicContact CB-CG2 3.42Å; C192-I206 VanDerWaalsContact CB-CG2 3.42Å; C192-L219 HydrophobicContact CB-CD2 3.89Å; C192-V244 WeakPolarHBondContact SG-CG2 3.3Å
193	L	88.1	Confident	82.6	Confident	20 Å²	20	43.6 Å²	43.6	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-20.3	-179.9	-63.7	170.8	0	0	0	113.6	S154 I189 A190 R191 V244 C247	S154-L193 VanDerWaalsContact CB-CD1 3.49Å; S154-L193 WeakPolarHBondContact O-CD1 3.31Å; I189-L193 HydrophobicContact CG2-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.27Å; A190-L193 PolarHBondContact O-N 3.19Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.46Å; L193-V244 HydrophobicContact CD2-CB 4.24Å; L193-V244 HydrophobicContact CD2-CG2 4.4Å; L193-C247 HydrophobicContact CD2-CB 3.93Å
194	Q	86.1	Confident	84	Confident	107 Å²	107	41.3 Å²	41.3	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-97.1	-5.9	175.1	-67.9	172.8	5.8	0	0	113.3	A190 R191 C192 K196 D197 V198	A190-Q194 WeakPolarHBondContact O-CG 3.4Å; A190-Q194 PolarHBondContact O-N 2.92Å; R191-Q194 CarbonylContact O-C 3.49Å; R191-Q194 PolarHBondContact O-N 3.4Å; R191-Q194 VanDerWaalsContact O-N 3.1Å; C192-Q194 PolarHBondContact O-N 3.31Å; Q194-K196 PolarHBondContact O-N 2.98Å; Q194-K196 VanDerWaalsContact O-N 3.13Å; Q194-D197 PolarHBondContact O-N 2.94Å; Q194-V198 HydrophobicContact CB-CG2 4.37Å; Q194-V198 PolarHBondContact O-N 2.03Å; Q194-V198 VanDerWaalsContact O-N 3.07Å
195	A	88.1	Confident	85.3	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-31.2	-172.4	0	0	0	0	0	112.8	R191 C192 D197 A199 G200 F201 C203 L219	R191-A195 PolarHBondContact O-N 3.09Å; C192-A195 WeakPolarHBondContact O-CB 3.35Å; C192-A195 PolarHBondContact O-N 3.23Å; C192-A195 VanDerWaalsContact O-N 3.09Å; A195-D197 VanDerWaalsContact C-N 3.34Å; A195-D197 PolarHBondContact O-N 2.92Å; A195-A199 CarbonylContact O-C 3.52Å; A195-A199 WeakPolarHBondContact O-CA 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.42Å; A195-A199 PolarHBondContact O-N 2.75Å; A195-G200 PolarHBondContact O-N 3.23Å; A195-G200 VanDerWaalsContact O-N 3.08Å; A195-F201 CarbonylContact C-O 3.57Å; A195-F201 VanDerWaalsContact C-O 3.24Å; A195-F201 HydrophobicContact CB-CD1 4.28Å; A195-F201 HydrophobicContact CB-CE1 3.78Å; A195-F201 HydrophobicContact CB-CE2 4.22Å; A195-F201 HydrophobicContact CB-CZ 3.75Å; A195-C203 HydrophobicContact CB-CB 3.63Å; A195-L219 HydrophobicContact CB-CD1 4.32Å
196	K	87.3	Confident	86.2	Confident	95 Å²	95	40.3 Å²	40.3	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-44.3	176	-175.4	178.2	-174.4	159.7	0	111.8	Q194 G200 F201 H202	Q194-K196 PolarHBondContact O-N 2.98Å; Q194-K196 VanDerWaalsContact O-N 3.13Å; K196-G200 WeakPolarHBondContact O-CA 3.43Å; K196-G200 PolarHBondContact O-N 2.86Å; K196-F201 WeakPolarHBondContact CA-O 3.23Å; K196-F201 PolarHBondContact N-O 3.44Å; K196-H202 VanDerWaalsContact CD-CE1 3.48Å; K196-H202 WeakPolarHBondContact CD-CE1 3.2Å; K196-H202 WeakPolarHBondContact CE-NE2 2.9Å; K196-H202 PolarHBondContact NZ-CE1 3.47Å; K196-H202 VanDerWaalsContact NZ-CE1 3.26Å; K196-H202 PolarHBondContact NZ-NE2 3.35Å
197	D	78.6	Confident	86.8	Confident	141 Å²	141	40 Å²	40	75%	0.754	23%	0.231	S	C	*	.	H	α-helix	trans	-80.5	-31.2	-174.7	-57.7	-38.9	0	0	0	111.6	Q194 A195	Q194-D197 PolarHBondContact O-N 2.94Å; A195-D197 VanDerWaalsContact C-N 3.34Å; A195-D197 PolarHBondContact O-N 2.92Å
198	V	72.8	Confident	87.2	Confident	112 Å²	112	39.8 Å²	39.8	68%	0.679	23%	0.225	S	C	*	.	H	α-helix	trans	-93.7	-38.9	-174.9	179.3	0	0	0	0	113	Q194	Q194-V198 HydrophobicContact CB-CG2 4.37Å; Q194-V198 PolarHBondContact O-N 2.03Å; Q194-V198 VanDerWaalsContact O-N 3.07Å
199	A	78.1	Confident	86.7	Confident	50 Å²	50	40.2 Å²	40.2	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-123.4	-3	-171.2	0	0	0	0	0	113.7	A195 F201	A195-A199 CarbonylContact O-C 3.52Å; A195-A199 WeakPolarHBondContact O-CA 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.42Å; A195-A199 PolarHBondContact O-N 2.75Å; A199-F201 HydrophobicContact CB-CD1 3.68Å; A199-F201 HydrophobicContact CB-CE1 3.62Å
200	G	86.4	Confident	85.4	Confident	64 Å²	64	43 Å²	43	66%	0.66	25%	0.245	S	C	*	.	S	Bend	trans	79	14.9	173.2	0	0	0	0	0	115.5	A195 K196	A195-G200 PolarHBondContact O-N 3.23Å; A195-G200 VanDerWaalsContact O-N 3.08Å; K196-G200 WeakPolarHBondContact O-CA 3.43Å; K196-G200 PolarHBondContact O-N 2.86Å
201	F	90.7	Very high	84.1	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.018	26%	0.257	C	S	.	.	S	Bend	trans	-130.2	153.7	178	78.3	-81.1	0	0	0	113.3	Q176 V178 A195 K196 A199 C203 L219 E221	Q176-F201 HydrophobicContact CB-CD2 4.25Å; Q176-F201 HydrophobicContact CB-CG 4.34Å; V178-F201 HydrophobicContact CB-CE1 4.17Å; V178-F201 HydrophobicContact CB-CZ 4.1Å; V178-F201 HydrophobicContact CG2-CD1 4.33Å; V178-F201 HydrophobicContact CG2-CE1 3.51Å; V178-F201 HydrophobicContact CG2-CZ 3.71Å; A195-F201 CarbonylContact C-O 3.57Å; A195-F201 VanDerWaalsContact C-O 3.24Å; A195-F201 HydrophobicContact CB-CD1 4.28Å; A195-F201 HydrophobicContact CB-CE1 3.78Å; A195-F201 HydrophobicContact CB-CE2 4.22Å; A195-F201 HydrophobicContact CB-CZ 3.75Å; K196-F201 WeakPolarHBondContact CA-O 3.23Å; K196-F201 PolarHBondContact N-O 3.44Å; A199-F201 HydrophobicContact CB-CD1 3.68Å; A199-F201 HydrophobicContact CB-CE1 3.62Å; F201-C203 HydrophobicContact CD2-CB 4.26Å; F201-C203 HydrophobicContact CE2-CB 3.58Å; F201-C203 HydrophobicContact CZ-CB 4.11Å; F201-C203 PolarHBondContact O-N 2.87Å; F201-L219 HydrophobicContact CE2-CB 4.39Å; F201-L219 HydrophobicContact CZ-CB 3.8Å; F201-L219 HydrophobicContact CZ-CD1 4.37Å; F201-E221 HydrophobicContact CD2-CB 4.14Å
202	H	91.4	Very high	82.6	Confident	80 Å²	80	46 Å²	46	37%	0.37	26%	0.259	S	S	.	.			trans	-84	99.7	175.1	-80.4	-88.4	0	0	0	110.1	K196	K196-H202 VanDerWaalsContact CD-CE1 3.48Å; K196-H202 WeakPolarHBondContact CD-CE1 3.2Å; K196-H202 WeakPolarHBondContact CE-NE2 2.9Å; K196-H202 PolarHBondContact NZ-CE1 3.47Å; K196-H202 VanDerWaalsContact NZ-CE1 3.26Å; K196-H202 PolarHBondContact NZ-NE2 3.35Å
203	C	93.3	Very high	80.6	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.			trans	-74.1	127.3	173.3	179.5	0	0	0	0	110.8	C192 A195 F201 S205 N220 Y248	C192-C203 WeakPolarHBondContact CA-SG 3.14Å; C192-C203 HydrophobicContact CB-CB 3.95Å; C192-C203 WeakPolarHBondContact CB-SG 3.41Å; C192-C203 VanDerWaalsContact O-CB 3.31Å; C192-C203 WeakPolarHBondContact O-CB 2.99Å; C192-C203 VanDerWaalsContact SG-C 3.56Å; C192-C203 WeakPolarHBondContact SG-CB 3.46Å; C192-C203 CovalentContact SG-SG 2.03Å; C192-C203 PolarHBondContact SG-SG 2.79Å; A195-C203 HydrophobicContact CB-CB 3.63Å; F201-C203 HydrophobicContact CD2-CB 4.26Å; F201-C203 HydrophobicContact CE2-CB 3.58Å; F201-C203 HydrophobicContact CZ-CB 4.11Å; F201-C203 PolarHBondContact O-N 2.87Å; C203-S205 PolarHBondContact SG-O 3.25Å; C203-N220 CarbonylContact C-O 3.24Å; C203-N220 WeakPolarHBondContact CA-O 3.46Å; C203-Y248 VanDerWaalsContact O-CE2 3.24Å; C203-Y248 WeakPolarHBondContact O-CE2 3.14Å; C203-Y248 PolarHBondContact O-OH 3.43Å
204	L	95.1	Very high	78.8	Confident	34 Å²	34	58.6 Å²	58.6	18%	0.178	32%	0.322	C	S	.	.			trans	-112.2	-20.8	-176.3	-63.4	-171.9	0	0	0	113.3	N220 E221 T226 V244 D245 Y248	L204-N220 PolarHBondContact N-O 3.28Å; L204-E221 VanDerWaalsContact CD1-O 3.24Å; L204-E221 WeakPolarHBondContact CD1-O 3.2Å; L204-E221 WeakPolarHBondContact CG-O 3.21Å; L204-T226 HydrophobicContact CD1-CG2 4.16Å; L204-V244 VanDerWaalsContact C-CG2 3.49Å; L204-V244 VanDerWaalsContact O-CG2 3.29Å; L204-V244 WeakPolarHBondContact O-CG2 3.41Å; L204-V244 PolarHBondContact O-N 2.76Å; L204-D245 PolarHBondContact O-N 2.92Å; L204-Y248 HydrophobicContact CD2-CD2 3.96Å; L204-Y248 HydrophobicContact CD2-CE2 3.93Å
205	S	94.9	Very high	78	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.1	173.2	71.8	0	0	0	0	112.4	L169 C203 N220 G222 Y241 A242	L169-S205 VanDerWaalsContact CD2-OG 3.32Å; L169-S205 WeakPolarHBondContact CD2-OG 3.13Å; C203-S205 PolarHBondContact SG-O 3.25Å; S205-N220 PolarHBondContact N-O 3.04Å; S205-N220 WeakPolarHBondContact O-CB 3.31Å; S205-N220 PolarHBondContact O-N 3.19Å; S205-N220 VanDerWaalsContact OG-CB 3.3Å; S205-N220 WeakPolarHBondContact OG-CB 3.32Å; S205-N220 PolarHBondContact OG-ND2 2.76Å; S205-G222 WeakPolarHBondContact CB-O 3.33Å; S205-G222 PolarHBondContact N-O 2.8Å; S205-G222 PolarHBondContact OG-O 2.93Å; S205-Y241 VanDerWaalsContact CB-CE2 3.48Å; S205-Y241 WeakPolarHBondContact CB-OH 3.36Å; S205-Y241 WeakPolarHBondContact OG-CE2 3.49Å; S205-A242 CarbonylContact C-O 3.53Å; S205-A242 WeakPolarHBondContact CA-O 3.36Å; S205-A242 WeakPolarHBondContact CB-O 3.14Å
206	I	93.5	Very high	77.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.7	172.7	62.9	154.2	0	0	0	111.8	F185 C188 I189 C192 I218 L219 Y241 A242	F185-I206 HydrophobicContact CD2-CD1 4.25Å; F185-I206 HydrophobicContact CE2-CD1 3.87Å; F185-I206 HydrophobicContact CZ-CD1 4.07Å; C188-I206 HydrophobicContact CB-CD1 3.78Å; C188-I206 VanDerWaalsContact SG-CD1 3.58Å; I189-I206 HydrophobicContact CB-CD1 4.45Å; I189-I206 HydrophobicContact CD1-CD1 4.29Å; I189-I206 HydrophobicContact CG1-CD1 3.38Å; I189-I206 HydrophobicContact CG1-CG1 4.1Å; C192-I206 HydrophobicContact CB-CG2 3.42Å; C192-I206 VanDerWaalsContact CB-CG2 3.42Å; I206-I218 CarbonylContact C-O 3.48Å; I206-I218 WeakPolarHBondContact CA-O 3.38Å; I206-L219 HydrophobicContact CG2-CD2 3.73Å; I206-Y241 WeakPolarHBondContact O-CA 3.33Å; I206-Y241 WeakPolarHBondContact O-CD2 3.06Å; I206-A242 HydrophobicContact CD1-CB 4.23Å; I206-A242 HydrophobicContact CG1-CB 3.7Å; I206-A242 PolarHBondContact N-O 2.94Å; I206-A242 PolarHBondContact O-N 3.38Å
207	I	88.6	Confident	76.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	161.9	-56.3	159.6	0	0	0	107	V168 L169 I209 C217 I218 A239 E240 Y241	V168-I207 HydrophobicContact CB-CD1 4.48Å; V168-I207 HydrophobicContact CG1-CD1 3.94Å; V168-I207 HydrophobicContact CG2-CG2 4.26Å; L169-I207 HydrophobicContact CB-CD1 4.22Å; L169-I207 WeakPolarHBondContact O-CD1 3.35Å; I207-I209 HydrophobicContact CG2-CG1 4.27Å; I207-C217 CarbonylContact O-C 3.53Å; I207-C217 WeakPolarHBondContact O-CA 3Å; I207-I218 HydrophobicContact CB-CB 4.2Å; I207-I218 HydrophobicContact CB-CD1 4.39Å; I207-I218 PolarHBondContact N-O 2.94Å; I207-I218 PolarHBondContact O-N 3.36Å; I207-A239 HydrophobicContact CG2-CB 4.01Å; I207-E240 WeakPolarHBondContact CA-O 3.32Å; I207-Y241 HydrophobicContact CG1-CD2 4.29Å
208	Y	83.5	Confident	77.3	Confident	21 Å²	21	51 Å²	51	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.6	177.9	179.8	-105.1	0	0	0	110.4	A182 S184 F185 C188 P210 N216 C217 A239 E240	A182-Y208 HydrophobicContact CB-CD2 4.41Å; A182-Y208 HydrophobicContact CB-CE2 4.09Å; S184-Y208 VanDerWaalsContact C-CZ 3.49Å; S184-Y208 WeakPolarHBondContact CA-OH 3.34Å; F185-Y208 HydrophobicContact CB-CD1 3.8Å; F185-Y208 HydrophobicContact CB-CE1 4.12Å; F185-Y208 HydrophobicContact CB-CG 4.21Å; F185-Y208 AromaticContact CD2-CD1 3.89Å; F185-Y208 HydrophobicContact CD2-CD1 3.89Å; F185-Y208 AromaticContact CD2-CG 3.97Å; F185-Y208 HydrophobicContact CD2-CG 3.97Å; F185-Y208 HydrophobicContact CG-CD1 4.37Å; C188-Y208 HydrophobicContact CB-CD2 3.98Å; Y208-P210 HydrophobicContact CD1-CB 4.43Å; Y208-P210 HydrophobicContact CE1-CB 3.81Å; Y208-N216 CarbonylContact C-O 3.57Å; Y208-N216 VanDerWaalsContact CA-O 3.27Å; Y208-N216 WeakPolarHBondContact CA-O 3.39Å; Y208-N216 VanDerWaalsContact CD2-O 3.22Å; Y208-N216 WeakPolarHBondContact CD2-O 3.38Å; Y208-C217 HydrophobicContact CD2-CB 4.37Å; Y208-A239 CarbonylContact O-C 3.52Å; Y208-A239 WeakPolarHBondContact O-CA 3.25Å; Y208-E240 PolarHBondContact N-O 2.81Å; Y208-E240 PolarHBondContact O-N 2.73Å
209	I	75.1	Confident	78.2	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.046	25%	0.247	C	C	.	.			trans	-117.3	92.8	-175.2	-53.4	170.7	0	0	0	108.4	I207 I211 E212 N216 L237 A239	I207-I209 HydrophobicContact CG2-CG1 4.27Å; I209-I211 HydrophobicContact CG2-CG1 3.86Å; I209-I211 PolarHBondContact O-N 3.4Å; I209-E212 HydrophobicContact CB-CB 4.32Å; I209-E212 HydrophobicContact CB-CG 4.27Å; I209-E212 HydrophobicContact CG2-CB 4.17Å; I209-E212 HydrophobicContact CG2-CG 3.71Å; I209-E212 PolarHBondContact O-N 3.4Å; I209-N216 PolarHBondContact N-O 3.24Å; I209-N216 WeakPolarHBondContact O-CB 3.32Å; I209-L237 HydrophobicContact CD1-CD1 4.34Å; I209-L237 HydrophobicContact CG2-CB 4.41Å; I209-A239 HydrophobicContact CG1-CB 4.21Å
210	P	60.4	Low	79	Confident	57 Å²	57	43.5 Å²	43.5	37%	0.37	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.7	-168	23.4	-33.3	0	0	0	115.1	Y208 P238	Y208-P210 HydrophobicContact CD1-CB 4.43Å; Y208-P210 HydrophobicContact CE1-CB 3.81Å; P210-P238 WeakPolarHBondContact CD-O 3.42Å; P210-P238 HydrophobicContact CG-CB 4.28Å; P210-P238 HydrophobicContact CG-CG 4.06Å
211	I	56.6	Low	79.2	Confident	98 Å²	98	43.6 Å²	43.6	50%	0.503	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.8	179.5	60.5	167.3	0	0	0	113	I209 L237 P238	I209-I211 HydrophobicContact CG2-CG1 3.86Å; I209-I211 PolarHBondContact O-N 3.4Å; I211-L237 HydrophobicContact CD1-CD2 4.06Å; I211-P238 HydrophobicContact CB-CG 4.31Å; I211-P238 VanDerWaalsContact CD1-CD 3.45Å; I211-P238 HydrophobicContact CD1-CG 3.92Å; I211-P238 HydrophobicContact CG1-CG 3.78Å; I211-P238 HydrophobicContact CG2-CG 3.66Å
212	E	54.7	Low	79.4	Confident	68 Å²	68	43.4 Å²	43.4	32%	0.318	21%	0.21	S	C	.	.			trans	-83.4	133.8	176.4	-70.5	-177.1	-161.2	0	0	108.8	I209 N216	I209-E212 HydrophobicContact CB-CB 4.32Å; I209-E212 HydrophobicContact CB-CG 4.27Å; I209-E212 HydrophobicContact CG2-CB 4.17Å; I209-E212 HydrophobicContact CG2-CG 3.71Å; I209-E212 PolarHBondContact O-N 3.4Å; E212-N216 HydrophobicContact CB-CB 3.83Å; E212-N216 WeakPolarHBondContact O-CB 3.49Å; E212-N216 PolarHBondContact O-ND2 2.8Å
213	L	49.2	Very low	79.5	Confident	148 Å²	148	39.6 Å²	39.6	78%	0.775	19%	0.192	S	C	*	.	S	Bend	trans	-91.5	-23.4	-178.4	-62.5	175.2	0	0	0	112	Q181	Q181-L213 PolarHBondContact NE2-O 3.34Å
214	E	50.3	Low	79.5	Confident	138 Å²	138	41.5 Å²	41.5	65%	0.645	20%	0.201	S	C	*	.	S	Bend	trans	-125.6	143.1	178.6	-65.8	-179.9	-178.9	0	0	108.5	N216	E214-N216 PolarHBondContact O-N 2.95Å
215	Y	69.3	Low	79.4	Confident	143 Å²	143	44.4 Å²	44.4	56%	0.561	22%	0.22	S	C	*	.	S	Bend	trans	54.1	26.9	179	-53.5	-64.3	0	0	0	115.7	P179 E180 C217	P179-Y215 HydrophobicContact CB-CD1 3.83Å; P179-Y215 HydrophobicContact CB-CG 4.23Å; P179-Y215 HydrophobicContact CG-CD1 4.32Å; E180-Y215 CarbonylContact O-C 3.55Å; E180-Y215 VanDerWaalsContact O-C 3.25Å; E180-Y215 VanDerWaalsContact O-CA 3.26Å; E180-Y215 WeakPolarHBondContact O-CA 3.38Å; Y215-C217 PolarHBondContact O-N 2.82Å; Y215-C217 VanDerWaalsContact O-N 3.12Å
216	N	69.6	Low	79.3	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.048	24%	0.24	C	C	.	.			trans	-75.6	3.5	-175.5	72.2	-20.5	0	0	0	114.7	E180 Q181 A182 Y208 I209 E212 E214	E180-N216 PolarHBondContact O-N 3.23Å; Q181-N216 WeakPolarHBondContact CA-OD1 2.94Å; A182-N216 PolarHBondContact N-OD1 2.89Å; A182-N216 PolarHBondContact O-ND2 2.51Å; A182-N216 PolarHBondContact O-OD1 3.08Å; Y208-N216 CarbonylContact C-O 3.57Å; Y208-N216 VanDerWaalsContact CA-O 3.27Å; Y208-N216 WeakPolarHBondContact CA-O 3.39Å; Y208-N216 VanDerWaalsContact CD2-O 3.22Å; Y208-N216 WeakPolarHBondContact CD2-O 3.38Å; I209-N216 PolarHBondContact N-O 3.24Å; I209-N216 WeakPolarHBondContact O-CB 3.32Å; E212-N216 HydrophobicContact CB-CB 3.83Å; E212-N216 WeakPolarHBondContact O-CB 3.49Å; E212-N216 PolarHBondContact O-ND2 2.8Å; E214-N216 PolarHBondContact O-N 2.95Å
217	C	81.1	Confident	79.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.8	177.9	170.7	0	0	0	0	108.7	P179 E180 A182 C188 I207 Y208 Y215	P179-C217 CarbonylContact C-O 3.6Å; E180-C217 WeakPolarHBondContact CA-O 3.32Å; E180-C217 HydrophobicContact CB-CB 4.16Å; E180-C217 PolarHBondContact N-O 2.76Å; E180-C217 WeakPolarHBondContact O-CB 3.31Å; E180-C217 PolarHBondContact O-N 2.65Å; E180-C217 VanDerWaalsContact O-O 3.1Å; A182-C217 HydrophobicContact CB-CB 3.6Å; C188-C217 WeakPolarHBondContact CA-SG 3.33Å; C188-C217 HydrophobicContact CB-CB 3.77Å; C188-C217 WeakPolarHBondContact CB-SG 3.38Å; C188-C217 VanDerWaalsContact SG-CA 3.56Å; C188-C217 WeakPolarHBondContact SG-CB 3.33Å; C188-C217 CovalentContact SG-SG 2.02Å; C188-C217 PolarHBondContact SG-SG 3.43Å; I207-C217 CarbonylContact O-C 3.53Å; I207-C217 WeakPolarHBondContact O-CA 3Å; Y208-C217 HydrophobicContact CD2-CB 4.37Å; Y215-C217 PolarHBondContact O-N 2.82Å; Y215-C217 VanDerWaalsContact O-N 3.12Å
218	I	89.2	Confident	79.5	Confident	35 Å²	35	54.1 Å²	54.1	18%	0.179	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.6	178.3	-55.8	164.5	0	0	0	107.5	Q177 I206 I207	Q177-I218 HydrophobicContact CB-CG2 4.26Å; I206-I218 CarbonylContact C-O 3.48Å; I206-I218 WeakPolarHBondContact CA-O 3.38Å; I207-I218 HydrophobicContact CB-CB 4.2Å; I207-I218 HydrophobicContact CB-CD1 4.39Å; I207-I218 PolarHBondContact N-O 2.94Å; I207-I218 PolarHBondContact O-N 3.36Å
219	L	91.5	Very high	79.9	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.2	177.2	-52.4	-173.1	0	0	0	109.4	Q177 V178 E180 R191 C192 A195 F201 I206	Q177-L219 CarbonylContact C-O 3.55Å; Q177-L219 WeakPolarHBondContact CA-O 3.27Å; V178-L219 HydrophobicContact CB-CB 4.31Å; V178-L219 PolarHBondContact N-O 2Å; V178-L219 PolarHBondContact O-N 3.28Å; E180-L219 HydrophobicContact CG-CD1 3.91Å; E180-L219 HydrophobicContact CG-CG 4.11Å; R191-L219 HydrophobicContact CB-CD1 4.18Å; R191-L219 HydrophobicContact CB-CD2 4.32Å; C192-L219 HydrophobicContact CB-CD2 3.89Å; A195-L219 HydrophobicContact CB-CD1 4.32Å; F201-L219 HydrophobicContact CE2-CB 4.39Å; F201-L219 HydrophobicContact CZ-CB 3.8Å; F201-L219 HydrophobicContact CZ-CD1 4.37Å; I206-L219 HydrophobicContact CG2-CD2 3.73Å
220	N	93.8	Very high	80.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.3	-174.1	-63.7	-43.7	0	0	0	111.4	L169 L171 C203 L204 S205 G222	L169-N220 HydrophobicContact CD2-CB 4.29Å; L171-N220 HydrophobicContact CD1-CB 3.88Å; C203-N220 CarbonylContact C-O 3.24Å; C203-N220 WeakPolarHBondContact CA-O 3.46Å; L204-N220 PolarHBondContact N-O 3.28Å; S205-N220 PolarHBondContact N-O 3.04Å; S205-N220 WeakPolarHBondContact O-CB 3.31Å; S205-N220 PolarHBondContact O-N 3.19Å; S205-N220 VanDerWaalsContact OG-CB 3.3Å; S205-N220 WeakPolarHBondContact OG-CB 3.32Å; S205-N220 PolarHBondContact OG-ND2 2.76Å; N220-G222 WeakPolarHBondContact CB-O 3.32Å; N220-G222 PolarHBondContact O-N 3.43Å
221	E	92.3	Very high	81.9	Confident	65 Å²	65	62.1 Å²	62.1	30%	0.304	31%	0.31	S	S	.	.	S	Bend	trans	-67.6	-15.4	169.7	-172.2	173.5	-155.6	0	0	113	L175 Q176 F201 L204	L175-E221 HydrophobicContact CD2-CG 4.46Å; Q176-E221 HydrophobicContact CB-CB 4.12Å; Q176-E221 PolarHBondContact N-OE2 3.19Å; Q176-E221 PolarHBondContact O-N 3.39Å; F201-E221 HydrophobicContact CD2-CB 4.14Å; L204-E221 VanDerWaalsContact CD1-O 3.24Å; L204-E221 WeakPolarHBondContact CD1-O 3.2Å; L204-E221 WeakPolarHBondContact CG-O 3.21Å
222	G	93.3	Very high	83.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.			trans	-116.1	170.5	176.2	0	0	0	0	0	113.6	L169 S205 N220	L169-G222 WeakPolarHBondContact CD2-O 3.5Å; S205-G222 WeakPolarHBondContact CB-O 3.33Å; S205-G222 PolarHBondContact N-O 2.8Å; S205-G222 PolarHBondContact OG-O 2.93Å; N220-G222 WeakPolarHBondContact CB-O 3.32Å; N220-G222 PolarHBondContact O-N 3.43Å
223	S	94.5	Very high	84.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.			trans	-135.2	175.7	173.1	72	0	0	0	0	111.3	T225 T226 F227 D245	S223-T225 PolarHBondContact O-N 3.44Å; S223-T225 PolarHBondContact OG-N 3.45Å; S223-T225 VanDerWaalsContact OG-N 3.14Å; S223-T226 PolarHBondContact N-OG1 3.2Å; S223-T226 PolarHBondContact O-N 3.47Å; S223-T226 PolarHBondContact O-OG1 3.48Å; S223-T226 VanDerWaalsContact O-OG1 3.05Å; S223-T226 PolarHBondContact OG-N 3.4Å; S223-F227 PolarHBondContact O-N 3.37Å; S223-D245 VanDerWaalsContact CB-CG 3.47Å; S223-D245 VanDerWaalsContact CB-OD1 3.25Å; S223-D245 WeakPolarHBondContact CB-OD1 3.35Å; S223-D245 WeakPolarHBondContact CB-OD2 3.35Å; S223-D245 PolarHBondContact OG-OD1 3.36Å; S223-D245 PolarHBondContact OG-OD2 3.44Å
224	H	93.3	Very high	85.3	Confident	41 Å²	41	58.1 Å²	58.1	19%	0.19	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	170.4	86.2	-62.6	0	0	0	113.3	E162 P228 L231 Y241	E162-H224 IonicContact OE2-CE1 2.7Å; E162-H224 PolarHBondContact OE2-CE1 3.49Å; E162-H224 IonicContact OE2-NE2 3.9Å; E162-H224 PolarHBondContact OE2-NE2 2.75Å; H224-P228 WeakPolarHBondContact O-CA 3.44Å; H224-P228 WeakPolarHBondContact O-CB 3.2Å; H224-P228 VanDerWaalsContact O-N 3.15Å; H224-L231 HydrophobicContact CB-CB 4.25Å; H224-L231 HydrophobicContact CB-CD1 4.38Å; H224-L231 HydrophobicContact CB-CD2 3.86Å; H224-L231 HydrophobicContact CB-CG 4.38Å; H224-Y241 HydrophobicContact CB-CE1 4.32Å; H224-Y241 PolarHBondContact N-OH 3.16Å; H224-Y241 PolarHBondContact ND1-OH 3.33Å
225	T	93.1	Very high	85.8	Confident	94 Å²	94	60.4 Å²	60.4	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-39	175.3	-52.1	0	0	0	0	110.3	S223	S223-T225 PolarHBondContact O-N 3.44Å; S223-T225 PolarHBondContact OG-N 3.45Å; S223-T225 VanDerWaalsContact OG-N 3.14Å
226	T	93.6	Very high	85.4	Confident	68 Å²	68	59.7 Å²	59.7	42%	0.417	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-30.9	176.2	60.6	0	0	0	0	112.5	L204 S223	L204-T226 HydrophobicContact CD1-CG2 4.16Å; S223-T226 PolarHBondContact N-OG1 3.2Å; S223-T226 PolarHBondContact O-N 3.47Å; S223-T226 PolarHBondContact O-OG1 3.48Å; S223-T226 VanDerWaalsContact O-OG1 3.05Å; S223-T226 PolarHBondContact OG-N 3.4Å
227	F	93.4	Very high	85	Confident	61 Å²	61	62.1 Å²	62.1	27%	0.268	32%	0.322	S	S	.	.			trans	-132.2	66.5	-177.7	-56.1	-76	0	0	0	112.2	L171 L175 S223 H229 Q230	L171-F227 HydrophobicContact CD2-CB 4.09Å; L171-F227 HydrophobicContact CD2-CD2 3.34Å; L171-F227 HydrophobicContact CD2-CE2 3.95Å; L171-F227 HydrophobicContact CD2-CG 3.77Å; L175-F227 HydrophobicContact CD1-CD2 4.33Å; L175-F227 HydrophobicContact CD1-CE1 3.91Å; L175-F227 HydrophobicContact CD1-CE2 3.54Å; L175-F227 HydrophobicContact CD1-CZ 3.3Å; L175-F227 HydrophobicContact CD2-CZ 4.26Å; L175-F227 HydrophobicContact CG-CZ 4.41Å; S223-F227 PolarHBondContact O-N 3.37Å; F227-H229 VanDerWaalsContact C-N 3.27Å; F227-H229 PolarHBondContact O-N 3.42Å; F227-Q230 HydrophobicContact CB-CB 4.01Å; F227-Q230 HydrophobicContact CB-CG 4.2Å; F227-Q230 PolarHBondContact O-N 2.83Å; F227-Q230 VanDerWaalsContact O-N 3.07Å
228	P	92.2	Very high	84.4	Confident	77 Å²	77	64.5 Å²	64.5	50%	0.5	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-62.5	-29.2	-171.7	23.3	-34.5	0	0	0	114.5	H224 Q230	H224-P228 WeakPolarHBondContact O-CA 3.44Å; H224-P228 WeakPolarHBondContact O-CB 3.2Å; H224-P228 VanDerWaalsContact O-N 3.15Å; P228-Q230 VanDerWaalsContact C-N 3.29Å; P228-Q230 PolarHBondContact O-N 3.49Å
229	H	91.8	Very high	83.6	Confident	171 Å²	171	62.9 Å²	62.9	79%	0.792	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-85.9	2.3	179.9	-58.8	-59.1	0	0	0	114.1	F227 F232	F227-H229 VanDerWaalsContact C-N 3.27Å; F227-H229 PolarHBondContact O-N 3.42Å; H229-F232 WeakPolarHBondContact O-CZ 3.18Å
230	Q	89.1	Confident	83.1	Confident	54 Å²	54	63.6 Å²	63.6	25%	0.252	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-107.2	6.1	-178.1	-69.7	177.6	5.4	0	0	113.1	L169 V170 L171 F227 P228 F232	L169-Q230 WeakPolarHBondContact CA-O 3.46Å; L169-Q230 HydrophobicContact CD1-CB 4.08Å; V170-Q230 PolarHBondContact N-O 3.23Å; V170-Q230 WeakPolarHBondContact O-CB 3.48Å; V170-Q230 PolarHBondContact O-OE1 3.28Å; L171-Q230 VanDerWaalsContact CD2-OE1 3.29Å; F227-Q230 HydrophobicContact CB-CB 4.01Å; F227-Q230 HydrophobicContact CB-CG 4.2Å; F227-Q230 PolarHBondContact O-N 2.83Å; F227-Q230 VanDerWaalsContact O-N 3.07Å; P228-Q230 VanDerWaalsContact C-N 3.29Å; P228-Q230 PolarHBondContact O-N 3.49Å; Q230-F232 VanDerWaalsContact C-CE2 3.47Å; Q230-F232 HydrophobicContact CB-CE2 4.48Å; Q230-F232 WeakPolarHBondContact O-CD2 3.4Å; Q230-F232 VanDerWaalsContact O-CE2 3.29Å; Q230-F232 WeakPolarHBondContact O-CE2 3.35Å
231	L	88.4	Confident	82.9	Confident	30 Å²	30	63.6 Å²	63.6	16%	0.157	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.3	177.6	-169.2	74.8	0	0	0	110.6	I164 K167 L169 H224 Y241	I164-L231 HydrophobicContact CD1-CD2 3.82Å; K167-L231 HydrophobicContact CB-CD1 3.88Å; K167-L231 HydrophobicContact CB-CD2 4.43Å; K167-L231 HydrophobicContact CB-CG 4.09Å; K167-L231 HydrophobicContact CD-CD2 4.34Å; K167-L231 HydrophobicContact CD-CG 4.14Å; K167-L231 HydrophobicContact CG-CD2 4.19Å; K167-L231 HydrophobicContact CG-CG 4.2Å; L169-L231 HydrophobicContact CB-CD1 4.23Å; L169-L231 HydrophobicContact CD1-CB 4.4Å; L169-L231 HydrophobicContact CD1-CD1 4.31Å; H224-L231 HydrophobicContact CB-CB 4.25Å; H224-L231 HydrophobicContact CB-CD1 4.38Å; H224-L231 HydrophobicContact CB-CD2 3.86Å; H224-L231 HydrophobicContact CB-CG 4.38Å; L231-Y241 HydrophobicContact CD1-CD1 4.06Å; L231-Y241 HydrophobicContact CD1-CD2 3.83Å; L231-Y241 HydrophobicContact CD1-CE1 4.18Å; L231-Y241 HydrophobicContact CD1-CE2 3.93Å; L231-Y241 HydrophobicContact CD1-CG 3.89Å
232	F	85.1	Confident	82.9	Confident	110 Å²	110	60.5 Å²	60.5	48%	0.482	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.4	-173.6	-58.5	-80.2	0	0	0	112.3	K167 V168 V170 H229 Q230	K167-F232 VanDerWaalsContact CA-O 3.27Å; K167-F232 WeakPolarHBondContact CA-O 3.38Å; K167-F232 VanDerWaalsContact CD-O 3.26Å; K167-F232 WeakPolarHBondContact CD-O 3.5Å; V168-F232 PolarHBondContact N-O 3.06Å; V168-F232 PolarHBondContact O-N 3.07Å; V170-F232 HydrophobicContact CB-CD2 4.22Å; V170-F232 HydrophobicContact CB-CE2 4.12Å; V170-F232 HydrophobicContact CG2-CD2 3.94Å; V170-F232 HydrophobicContact CG2-CE2 4.31Å; H229-F232 WeakPolarHBondContact O-CZ 3.18Å; Q230-F232 VanDerWaalsContact C-CE2 3.47Å; Q230-F232 HydrophobicContact CB-CE2 4.48Å; Q230-F232 WeakPolarHBondContact O-CD2 3.4Å; Q230-F232 VanDerWaalsContact O-CE2 3.29Å; Q230-F232 WeakPolarHBondContact O-CE2 3.35Å
233	D	77	Confident	82.9	Confident	108 Å²	108	60.8 Å²	60.8	58%	0.578	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.2	171.2	-70.2	-55.3	0	0	0	111.4	R166 K167 Q235	R166-D233 WeakPolarHBondContact O-CA 3.29Å; K167-D233 WeakPolarHBondContact CD-OD1 3.38Å; K167-D233 WeakPolarHBondContact CE-OD1 3.33Å; K167-D233 IonicContact NZ-OD1 2.72Å; K167-D233 PolarHBondContact NZ-OD1 2.75Å; K167-D233 IonicContact NZ-OD2 3.47Å; K167-D233 PolarHBondContact NZ-OD2 3.42Å; D233-Q235 PolarHBondContact O-N 3.45Å
234	S	68.6	Low	82.7	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.091	32%	0.32	C	S	.	.			trans	-86.3	105	170	-173.9	0	0	0	0	109.5	R166 L237	R166-S234 PolarHBondContact O-N 3.45Å; S234-L237 WeakPolarHBondContact CB-O 3.14Å; S234-L237 WeakPolarHBondContact OG-CB 3.16Å; S234-L237 PolarHBondContact OG-N 3.21Å; S234-L237 PolarHBondContact OG-O 3.06Å
235	Q	61.2	Low	82.6	Confident	186 Å²	186	60 Å²	60	87%	0.869	32%	0.318	S	S	*	.	S	Bend	trans	-83.4	-27.9	-178.6	-61	-172.5	9.7	0	0	112.8	D233	D233-Q235 PolarHBondContact O-N 3.45Å
236	T	62	Low	82.3	Confident	127 Å²	127	56.9 Å²	56.9	78%	0.779	30%	0.299	S	S	*	.	S	Bend	trans	-109.1	-38	-170.9	51.3	0	0	0	0	112.8
237	L	61.3	Low	82	Confident	60 Å²	60	53.7 Å²	53.7	31%	0.314	28%	0.28	S	S	.	.	S	Bend	trans	-97.1	136.4	-178.8	-61.2	171.6	0	0	0	109.6	I209 I211 S234 A239	I209-L237 HydrophobicContact CD1-CD1 4.34Å; I209-L237 HydrophobicContact CG2-CB 4.41Å; I211-L237 HydrophobicContact CD1-CD2 4.06Å; S234-L237 WeakPolarHBondContact CB-O 3.14Å; S234-L237 WeakPolarHBondContact OG-CB 3.16Å; S234-L237 PolarHBondContact OG-N 3.21Å; S234-L237 PolarHBondContact OG-O 3.06Å; L237-A239 PolarHBondContact O-N 2.83Å
238	P	68	Low	81.6	Confident	51 Å²	51	52.5 Å²	52.5	33%	0.331	27%	0.274	S	S	.	.			trans	-74.7	46.6	173.5	33	-34.8	0	0	0	111.2	P210 I211	P210-P238 WeakPolarHBondContact CD-O 3.42Å; P210-P238 HydrophobicContact CG-CB 4.28Å; P210-P238 HydrophobicContact CG-CG 4.06Å; I211-P238 HydrophobicContact CB-CG 4.31Å; I211-P238 VanDerWaalsContact CD1-CD 3.45Å; I211-P238 HydrophobicContact CD1-CG 3.92Å; I211-P238 HydrophobicContact CG1-CG 3.78Å; I211-P238 HydrophobicContact CG2-CG 3.66Å
239	A	72.4	Confident	80.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.			trans	-65.4	135.4	-178.2	0	0	0	0	0	110.7	R166 V168 I207 Y208 I209 L237	R166-A239 WeakPolarHBondContact CA-O 3.43Å; R166-A239 PolarHBondContact N-O 3.19Å; V168-A239 HydrophobicContact CG2-CB 3.63Å; I207-A239 HydrophobicContact CG2-CB 4.01Å; Y208-A239 CarbonylContact O-C 3.52Å; Y208-A239 WeakPolarHBondContact O-CA 3.25Å; I209-A239 HydrophobicContact CG1-CB 4.21Å; L237-A239 PolarHBondContact O-N 2.83Å
240	E	81.4	Confident	79.1	Confident	20 Å²	20	53.9 Å²	53.9	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.1	175.6	-63.1	-176.6	-123.6	0	0	108.9	N144 R163 F185 I207 Y208	N144-E240 PolarHBondContact ND2-OE1 3.39Å; N144-E240 PolarHBondContact ND2-OE2 2.8Å; R163-E240 IonicContact CZ-OE2 3.72Å; R163-E240 IonicContact NH2-OE2 2.65Å; R163-E240 PolarHBondContact NH2-OE2 2.86Å; F185-E240 HydrophobicContact CD2-CB 3.75Å; F185-E240 HydrophobicContact CE2-CB 3.52Å; I207-E240 WeakPolarHBondContact CA-O 3.32Å; Y208-E240 PolarHBondContact N-O 2.81Å; Y208-E240 PolarHBondContact O-N 2.73Å
241	Y	89.3	Confident	77.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.4	175.7	171.8	-93.5	0	0	0	110.4	R163 I164 K167 L169 S205 I206 I207 H224 L231	R163-Y241 WeakPolarHBondContact CA-O 3.17Å; I164-Y241 HydrophobicContact CB-CD1 4.05Å; I164-Y241 HydrophobicContact CD1-CD1 3.97Å; I164-Y241 HydrophobicContact CD1-CE1 4.07Å; I164-Y241 HydrophobicContact CG1-CD1 4Å; I164-Y241 HydrophobicContact CG1-CE1 4.46Å; I164-Y241 PolarHBondContact N-O 3.28Å; I164-Y241 WeakPolarHBondContact O-CB 3.42Å; I164-Y241 PolarHBondContact O-N 3.42Å; I164-Y241 VanDerWaalsContact O-N 3.11Å; K167-Y241 HydrophobicContact CB-CG 4.45Å; L169-Y241 HydrophobicContact CB-CD2 4.16Å; L169-Y241 HydrophobicContact CB-CE2 3.88Å; L169-Y241 HydrophobicContact CD2-CE2 4.16Å; S205-Y241 VanDerWaalsContact CB-CE2 3.48Å; S205-Y241 WeakPolarHBondContact CB-OH 3.36Å; S205-Y241 WeakPolarHBondContact OG-CE2 3.49Å; I206-Y241 WeakPolarHBondContact O-CA 3.33Å; I206-Y241 WeakPolarHBondContact O-CD2 3.06Å; I207-Y241 HydrophobicContact CG1-CD2 4.29Å; H224-Y241 HydrophobicContact CB-CE1 4.32Å; H224-Y241 PolarHBondContact N-OH 3.16Å; H224-Y241 PolarHBondContact ND1-OH 3.33Å; L231-Y241 HydrophobicContact CD1-CD1 4.06Å; L231-Y241 HydrophobicContact CD1-CD2 3.83Å; L231-Y241 HydrophobicContact CD1-CE1 4.18Å; L231-Y241 HydrophobicContact CD1-CE2 3.93Å; L231-Y241 HydrophobicContact CD1-CG 3.89Å
242	A	91.6	Very high	76.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.2	166.3	0	0	0	0	0	112.1	I161 E162 R163 F185 I189 S205 I206	I161-A242 HydrophobicContact CG2-CB 3.8Å; E162-A242 CarbonylContact O-C 3.57Å; E162-A242 WeakPolarHBondContact O-CA 3.06Å; R163-A242 HydrophobicContact CG-CB 4.24Å; F185-A242 HydrophobicContact CE1-CB 4.25Å; F185-A242 HydrophobicContact CE2-CB 4.31Å; F185-A242 HydrophobicContact CZ-CB 3.49Å; F185-A242 VanDerWaalsContact CZ-CB 3.49Å; I189-A242 HydrophobicContact CD1-CB 4.26Å; S205-A242 CarbonylContact C-O 3.53Å; S205-A242 WeakPolarHBondContact CA-O 3.36Å; S205-A242 WeakPolarHBondContact CB-O 3.14Å; I206-A242 HydrophobicContact CD1-CB 4.23Å; I206-A242 HydrophobicContact CG1-CB 3.7Å; I206-A242 PolarHBondContact N-O 2.94Å; I206-A242 PolarHBondContact O-N 3.38Å
243	S	93.3	Very high	76.2	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131	167.5	154.4	0	0	0	0	109.7	I161 E162 D245	I161-S243 VanDerWaalsContact CG2-O 3.29Å; I161-S243 WeakPolarHBondContact CG2-O 2.91Å; E162-S243 PolarHBondContact N-O 3.31Å; E162-S243 PolarHBondContact O-N 2.73Å; S243-D245 WeakPolarHBondContact CB-OD2 3.48Å; S243-D245 PolarHBondContact OG-OD2 3.14Å
244	V	91.3	Very high	76.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.			trans	-113.9	11.6	175.4	-60.3	0	0	0	0	112.2	I161 I189 C192 L193 L204 S246 C247 Y248	I161-V244 HydrophobicContact CD1-CG1 4.17Å; I161-V244 HydrophobicContact CG1-CG1 4.35Å; I161-V244 HydrophobicContact CG2-CG1 4.17Å; I189-V244 HydrophobicContact CG2-CG1 4.22Å; C192-V244 WeakPolarHBondContact SG-CG2 3.3Å; L193-V244 HydrophobicContact CD2-CB 4.24Å; L193-V244 HydrophobicContact CD2-CG2 4.4Å; L204-V244 VanDerWaalsContact C-CG2 3.49Å; L204-V244 VanDerWaalsContact O-CG2 3.29Å; L204-V244 WeakPolarHBondContact O-CG2 3.41Å; L204-V244 PolarHBondContact O-N 2.76Å; V244-S246 PolarHBondContact O-N 3.17Å; V244-C247 WeakPolarHBondContact O-CB 3.46Å; V244-C247 PolarHBondContact O-N 3Å; V244-Y248 HydrophobicContact CG2-CE2 4.16Å; V244-Y248 WeakPolarHBondContact O-CD2 3.08Å
245	D	89.7	Confident	76.6	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.134	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-51.1	-42.4	179	-56.4	-97.6	0	0	0	111.8	L204 S223 S243 C247 Y248	L204-D245 PolarHBondContact O-N 2.92Å; S223-D245 VanDerWaalsContact CB-CG 3.47Å; S223-D245 VanDerWaalsContact CB-OD1 3.25Å; S223-D245 WeakPolarHBondContact CB-OD1 3.35Å; S223-D245 WeakPolarHBondContact CB-OD2 3.35Å; S223-D245 PolarHBondContact OG-OD1 3.36Å; S223-D245 PolarHBondContact OG-OD2 3.44Å; S243-D245 WeakPolarHBondContact CB-OD2 3.48Å; S243-D245 PolarHBondContact OG-OD2 3.14Å; D245-C247 PolarHBondContact O-N 3.5Å; D245-C247 VanDerWaalsContact O-N 3.09Å; D245-Y248 PolarHBondContact O-N 3.24Å
246	S	87.6	Confident	77.6	Confident	28 Å²	28	51.9 Å²	51.9	20%	0.196	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.7	-21.8	179.7	65.2	0	0	0	0	113.7	S157 A159 T160 V244 Y248 L249	S157-S246 PolarHBondContact OG-O 2.78Å; A159-S246 VanDerWaalsContact CB-O 3.23Å; A159-S246 WeakPolarHBondContact CB-O 3.22Å; T160-S246 PolarHBondContact O-OG 3.47Å; V244-S246 PolarHBondContact O-N 3.17Å; S246-Y248 PolarHBondContact O-N 2.52Å; S246-L249 PolarHBondContact O-N 3.06Å
247	C	87.2	Confident	78.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-75.6	-11.4	179.3	-54.1	0	0	0	0	113.1	C155 S157 L193 V244 D245	C155-C247 HydrophobicContact CB-CB 3.51Å; C155-C247 WeakPolarHBondContact CB-SG 3.35Å; C155-C247 WeakPolarHBondContact SG-CB 3.17Å; C155-C247 CovalentContact SG-SG 2.01Å; C155-C247 PolarHBondContact SG-SG 2.84Å; S157-C247 WeakPolarHBondContact OG-CA 3.34Å; L193-C247 HydrophobicContact CD2-CB 3.93Å; V244-C247 WeakPolarHBondContact O-CB 3.46Å; V244-C247 PolarHBondContact O-N 3Å; D245-C247 PolarHBondContact O-N 3.5Å; D245-C247 VanDerWaalsContact O-N 3.09Å
248	Y	85.9	Confident	79.9	Confident	37 Å²	37	45.9 Å²	45.9	15%	0.145	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-10.6	175.5	-54.4	-76.2	0	0	0	113.2	C203 L204 V244 D245 S246 N250 R251	C203-Y248 VanDerWaalsContact O-CE2 3.24Å; C203-Y248 WeakPolarHBondContact O-CE2 3.14Å; C203-Y248 PolarHBondContact O-OH 3.43Å; L204-Y248 HydrophobicContact CD2-CD2 3.96Å; L204-Y248 HydrophobicContact CD2-CE2 3.93Å; V244-Y248 HydrophobicContact CG2-CE2 4.16Å; V244-Y248 WeakPolarHBondContact O-CD2 3.08Å; D245-Y248 PolarHBondContact O-N 3.24Å; S246-Y248 PolarHBondContact O-N 2.52Å; Y248-N250 PolarHBondContact O-N 3.42Å; Y248-N250 VanDerWaalsContact O-N 3.16Å; Y248-R251 VanDerWaalsContact CE1-NH2 3.28Å; Y248-R251 PolarHBondContact O-N 3.36Å
249	L	72.6	Confident	80.8	Confident	116 Å²	116	45.5 Å²	45.5	61%	0.607	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	112.1	170.2	-57.1	177.7	0	0	0	107.3	S246	S246-L249 PolarHBondContact O-N 3.06Å
250	N	57.4	Low	81.5	Confident	160 Å²	160	49.3 Å²	49.3	86%	0.856	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.6	29.9	-173.7	-46.1	-40	0	0	0	117.6	Y248	Y248-N250 PolarHBondContact O-N 3.42Å; Y248-N250 VanDerWaalsContact O-N 3.16Å
251	R	50.4	Low	81.5	Confident	200 Å²	200	52 Å²	52	76%	0.755	25%	0.249	S	C	*	.			trans	-86.5	0	157	-72.3	-165.7	-162.6	-163.8	6.9	111.9	Y248	Y248-R251 VanDerWaalsContact CE1-NH2 3.28Å; Y248-R251 PolarHBondContact O-N 3.36Å

Retrieved 251 of 251 residues in 116 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).